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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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7596 |
1kqv ![]() ![]() |
cing | 1-original | 22 | MR format | nomenclature mapping |
1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.367 -0.202 -2.051 3 1HB LYS 1 2HB LYS 1 2.922 1.861 -0.561 4 2HB LYS 1 3HB LYS 1 3.609 1.275 -2.062 5 1HG LYS 1 2HG LYS 1 0.784 1.713 -2.488 6 2HG LYS 1 3HG LYS 1 1.438 3.136 -1.702 7 1HD LYS 1 2HD LYS 1 3.066 1.981 -3.946 8 2HD LYS 1 3HD LYS 1 1.555 2.748 -4.392 9 1HE LYS 1 2HE LYS 1 2.821 4.666 -4.391 10 2HE LYS 1 3HE LYS 1 2.515 4.638 -2.666 11 1HZ LYS 1 1HZ LYS 1 4.581 3.713 -2.266 12 2HZ LYS 1 2HZ LYS 1 4.803 3.217 -3.806 13 3HZ LYS 1 3HZ LYS 1 4.894 4.805 -3.439 14 H SER 2 HN SER 2 3.727 -0.567 0.667 15 HA SER 2 HA SER 2 5.551 -2.060 -0.757 16 1HB SER 2 2HB SER 2 5.137 -1.221 1.953 17 2HB SER 2 3HB SER 2 5.451 -2.945 1.998 18 HG SER 2 HG SER 2 7.279 -1.083 1.844 19 HA PRO 3 HA PRO 3 3.932 -6.112 -0.728 20 1HB PRO 3 2HB PRO 3 5.904 -7.758 0.204 21 2HB PRO 3 3HB PRO 3 5.893 -7.100 -1.420 22 1HG PRO 3 2HG PRO 3 7.553 -6.302 0.892 23 2HG PRO 3 3HG PRO 3 7.809 -5.970 -0.810 24 1HD PRO 3 2HD PRO 3 6.819 -4.141 1.166 25 2HD PRO 3 3HD PRO 3 6.966 -3.846 -0.555 26 H GLU 4 HN GLU 4 5.323 -5.318 2.372 27 HA GLU 4 HA GLU 4 4.201 -7.322 3.831 28 1HB GLU 4 2HB GLU 4 5.629 -4.975 4.347 29 2HB GLU 4 3HB GLU 4 4.119 -4.706 5.196 30 1HG GLU 4 2HG GLU 4 5.212 -7.445 5.554 31 2HG GLU 4 3HG GLU 4 6.264 -6.186 6.168 32 H GLU 5 HN GLU 5 2.781 -4.125 2.896 33 HA GLU 5 HA GLU 5 0.396 -4.566 4.290 34 1HB GLU 5 2HB GLU 5 1.500 -2.565 2.413 35 2HB GLU 5 3HB GLU 5 -0.233 -2.766 2.258 36 1HG GLU 5 2HG GLU 5 0.171 -2.735 5.041 37 2HG GLU 5 3HG GLU 5 1.319 -1.549 4.451 38 H LEU 6 HN LEU 6 1.611 -5.517 1.102 39 HA LEU 6 HA LEU 6 -0.874 -6.016 -0.106 40 1HB LEU 6 2HB LEU 6 1.969 -6.765 -0.596 41 2HB LEU 6 3HB LEU 6 0.723 -7.679 -1.424 42 HG LEU 6 HG LEU 6 0.962 -4.662 -1.546 43 1HD1 LEU 6 1HD1 LEU 6 2.941 -5.451 -2.557 44 2HD1 LEU 6 2HD1 LEU 6 2.095 -6.798 -3.356 45 3HD1 LEU 6 3HD1 LEU 6 1.814 -5.125 -3.896 46 1HD2 LEU 6 1HD2 LEU 6 -1.211 -5.045 -2.151 47 2HD2 LEU 6 2HD2 LEU 6 -0.409 -5.235 -3.728 48 3HD2 LEU 6 3HD2 LEU 6 -0.870 -6.673 -2.786 49 H LYS 7 HN LYS 7 1.321 -7.978 1.962 50 HA LYS 7 HA LYS 7 -0.056 -10.390 1.644 51 1HB LYS 7 2HB LYS 7 2.284 -9.685 2.757 52 2HB LYS 7 3HB LYS 7 1.323 -9.786 4.218 53 1HG LYS 7 2HG LYS 7 1.228 -12.016 2.155 54 2HG LYS 7 3HG LYS 7 2.521 -11.953 3.337 55 1HD LYS 7 2HD LYS 7 -0.438 -11.886 4.087 56 2HD LYS 7 3HD LYS 7 0.501 -13.364 4.013 57 1HE LYS 7 2HE LYS 7 1.194 -12.981 6.138 58 2HE LYS 7 3HE LYS 7 2.071 -11.576 5.566 59 1HZ LYS 7 1HZ LYS 7 0.600 -10.814 7.174 60 2HZ LYS 7 2HZ LYS 7 -0.106 -10.380 5.767 61 3HZ LYS 7 3HZ LYS 7 -0.667 -11.669 6.598 62 H GLY 8 HN GLY 8 -0.302 -7.798 4.171 63 1HA GLY 8 1HA GLY 8 -2.306 -8.975 5.697 64 2HA GLY 8 2HA GLY 8 -1.975 -7.259 5.569 65 H ILE 9 HN ILE 9 -2.621 -6.469 3.071 66 HA ILE 9 HA ILE 9 -5.376 -6.371 3.085 67 HB ILE 9 HB ILE 9 -3.222 -5.714 1.137 68 1HG1 ILE 9 2HG1 ILE 9 -5.421 -4.140 2.507 69 2HG1 ILE 9 3HG1 ILE 9 -3.721 -4.157 2.933 70 1HG2 ILE 9 1HG2 ILE 9 -6.068 -6.211 0.422 71 2HG2 ILE 9 2HG2 ILE 9 -5.297 -4.750 -0.242 72 3HG2 ILE 9 3HG2 ILE 9 -4.589 -6.352 -0.559 73 1HD1 ILE 9 1HD1 ILE 9 -5.102 -2.683 0.778 74 2HD1 ILE 9 2HD1 ILE 9 -3.536 -2.351 1.557 75 3HD1 ILE 9 3HD1 ILE 9 -3.635 -3.525 0.222 76 H PHE 10 HN PHE 10 -3.144 -8.502 1.196 77 HA PHE 10 HA PHE 10 -4.992 -9.760 -0.367 78 1HB PHE 10 2HB PHE 10 -2.675 -10.273 -0.688 79 2HB PHE 10 3HB PHE 10 -2.387 -10.470 1.029 80 HD1 PHE 10 HD1 PHE 10 -2.990 -12.578 2.155 81 HD2 PHE 10 HD2 PHE 10 -3.420 -12.115 -2.041 82 HE1 PHE 10 HE1 PHE 10 -3.163 -15.069 1.898 83 HE2 PHE 10 HE2 PHE 10 -3.593 -14.606 -2.298 84 HZ PHE 10 HZ PHE 10 -3.462 -16.053 -0.325 85 H GLU 11 HN GLU 11 -3.858 -10.799 2.931 86 HA GLU 11 HA GLU 11 -5.572 -12.965 3.068 87 1HB GLU 11 2HB GLU 11 -3.575 -11.801 4.674 88 2HB GLU 11 3HB GLU 11 -5.009 -11.744 5.679 89 1HG GLU 11 2HG GLU 11 -5.051 -14.311 4.445 90 2HG GLU 11 3HG GLU 11 -3.386 -14.052 4.924 91 H LYS 12 HN LYS 12 -5.990 -9.503 3.876 92 HA LYS 12 HA LYS 12 -8.329 -9.732 5.363 93 1HB LYS 12 2HB LYS 12 -6.661 -7.712 4.709 94 2HB LYS 12 3HB LYS 12 -7.973 -7.360 3.603 95 1HG LYS 12 2HG LYS 12 -9.565 -7.621 5.629 96 2HG LYS 12 3HG LYS 12 -8.131 -7.617 6.635 97 1HD LYS 12 2HD LYS 12 -7.479 -5.400 5.495 98 2HD LYS 12 3HD LYS 12 -9.078 -5.390 4.779 99 1HE LYS 12 2HE LYS 12 -9.745 -4.317 6.679 100 2HE LYS 12 3HE LYS 12 -9.670 -5.891 7.446 101 1HZ LYS 12 1HZ LYS 12 -7.162 -4.508 7.254 102 2HZ LYS 12 2HZ LYS 12 -8.261 -3.806 8.236 103 3HZ LYS 12 3HZ LYS 12 -7.797 -5.348 8.502 104 H TYR 13 HN TYR 13 -7.681 -10.038 1.905 105 HA TYR 13 HA TYR 13 -10.532 -9.882 1.309 106 1HB TYR 13 2HB TYR 13 -7.843 -9.809 -0.079 107 2HB TYR 13 3HB TYR 13 -9.146 -10.510 -1.017 108 HD1 TYR 13 HD1 TYR 13 -10.858 -9.142 -1.991 109 HD2 TYR 13 HD2 TYR 13 -8.009 -7.426 0.700 110 HE1 TYR 13 HE1 TYR 13 -11.623 -6.811 -2.656 111 HE2 TYR 13 HE2 TYR 13 -8.784 -5.100 0.026 112 HH TYR 13 HH TYR 13 -11.293 -4.686 -2.456 113 H ALA 14 HN ALA 14 -7.753 -12.172 1.330 114 HA ALA 14 HA ALA 14 -9.154 -14.290 0.115 115 1HB ALA 14 1HB ALA 14 -6.576 -13.806 0.631 116 2HB ALA 14 2HB ALA 14 -6.938 -14.779 2.077 117 3HB ALA 14 3HB ALA 14 -7.197 -15.465 0.455 118 H ALA 15 HN ALA 15 -9.122 -12.904 3.353 119 HA ALA 15 HA ALA 15 -10.223 -15.277 4.566 120 1HB ALA 15 1HB ALA 15 -8.649 -13.510 5.624 121 2HB ALA 15 2HB ALA 15 -10.107 -12.498 5.765 122 3HB ALA 15 3HB ALA 15 -10.035 -14.073 6.590 123 H LYS 16 HN LYS 16 -11.328 -12.478 2.799 124 HA LYS 16 HA LYS 16 -13.805 -12.050 3.935 125 1HB LYS 16 2HB LYS 16 -12.369 -11.129 1.729 126 2HB LYS 16 3HB LYS 16 -13.805 -11.842 1.022 127 1HG LYS 16 2HG LYS 16 -15.154 -10.539 2.816 128 2HG LYS 16 3HG LYS 16 -13.672 -9.663 3.147 129 1HD LYS 16 2HD LYS 16 -13.689 -8.557 1.094 130 2HD LYS 16 3HD LYS 16 -14.497 -9.872 0.264 131 1HE LYS 16 2HE LYS 16 -16.058 -8.454 2.412 132 2HE LYS 16 3HE LYS 16 -15.768 -7.570 0.927 133 1HZ LYS 16 1HZ LYS 16 -16.794 -9.282 -0.304 134 2HZ LYS 16 2HZ LYS 16 -16.876 -10.288 0.980 135 3HZ LYS 16 3HZ LYS 16 -17.798 -8.940 0.938 136 H GLU 17 HN GLU 17 -13.141 -14.067 0.980 137 HA GLU 17 HA GLU 17 -15.420 -15.678 1.834 138 1HB GLU 17 2HB GLU 17 -14.489 -14.809 -0.914 139 2HB GLU 17 3HB GLU 17 -15.442 -16.269 -0.737 140 1HG GLU 17 2HG GLU 17 -16.790 -14.358 0.854 141 2HG GLU 17 3HG GLU 17 -16.295 -13.464 -0.569 142 H GLY 18 HN GLY 18 -15.066 -17.850 2.185 143 1HA GLY 18 1HA GLY 18 -14.003 -19.828 2.289 144 2HA GLY 18 2HA GLY 18 -13.148 -19.392 0.822 145 H ASP 19 HN ASP 19 -11.565 -20.801 2.352 146 HA ASP 19 HA ASP 19 -10.386 -19.624 4.519 147 1HB ASP 19 2HB ASP 19 -10.098 -21.992 3.289 148 2HB ASP 19 3HB ASP 19 -8.720 -21.200 2.550 149 HA PRO 20 HA PRO 20 -8.050 -16.453 2.559 150 1HB PRO 20 2HB PRO 20 -6.469 -15.694 4.654 151 2HB PRO 20 3HB PRO 20 -8.116 -15.133 4.444 152 1HG PRO 20 2HG PRO 20 -7.071 -17.140 6.346 153 2HG PRO 20 3HG PRO 20 -8.588 -16.265 6.397 154 1HD PRO 20 2HD PRO 20 -8.207 -18.997 5.611 155 2HD PRO 20 3HD PRO 20 -9.705 -18.089 5.552 156 H ASN 21 HN ASN 21 -6.962 -19.432 3.242 157 HA ASN 21 HA ASN 21 -4.213 -18.827 2.691 158 1HB ASN 21 2HB ASN 21 -5.792 -21.353 3.310 159 2HB ASN 21 3HB ASN 21 -4.164 -21.485 2.675 160 1HD2 ASN 21 1HD2 ASN 21 -6.002 -19.649 5.113 161 2HD2 ASN 21 2HD2 ASN 21 -4.820 -19.718 6.378 162 H GLN 22 HN GLN 22 -7.067 -19.126 0.924 163 HA GLN 22 HA GLN 22 -5.569 -19.755 -1.457 164 1HB GLN 22 2HB GLN 22 -7.749 -21.188 -2.104 165 2HB GLN 22 3HB GLN 22 -6.360 -21.914 -1.320 166 1HG GLN 22 2HG GLN 22 -7.475 -21.457 0.926 167 2HG GLN 22 3HG GLN 22 -8.897 -20.915 0.056 168 1HE2 GLN 22 1HE2 GLN 22 -7.698 -23.406 1.685 169 2HE2 GLN 22 2HE2 GLN 22 -8.464 -24.758 0.919 170 H LEU 23 HN LEU 23 -6.064 -18.271 -3.022 171 HA LEU 23 HA LEU 23 -8.258 -16.477 -2.507 172 1HB LEU 23 2HB LEU 23 -5.926 -16.569 -4.377 173 2HB LEU 23 3HB LEU 23 -7.283 -15.528 -4.756 174 HG LEU 23 HG LEU 23 -5.253 -14.568 -3.463 175 1HD1 LEU 23 1HD1 LEU 23 -7.541 -13.686 -1.910 176 2HD1 LEU 23 2HD1 LEU 23 -6.589 -12.821 -3.140 177 3HD1 LEU 23 3HD1 LEU 23 -7.946 -13.861 -3.634 178 1HD2 LEU 23 1HD2 LEU 23 -4.897 -16.066 -1.713 179 2HD2 LEU 23 2HD2 LEU 23 -5.716 -14.692 -0.932 180 3HD2 LEU 23 3HD2 LEU 23 -6.629 -16.171 -1.316 181 H SER 24 HN SER 24 -9.790 -15.886 -4.326 182 HA SER 24 HA SER 24 -10.305 -18.177 -6.030 183 1HB SER 24 2HB SER 24 -12.366 -16.801 -4.251 184 2HB SER 24 3HB SER 24 -12.775 -17.935 -5.523 185 HG SER 24 HG SER 24 -12.104 -18.499 -2.987 186 H LYS 25 HN LYS 25 -12.028 -17.550 -7.773 187 HA LYS 25 HA LYS 25 -11.126 -15.326 -9.146 188 1HB LYS 25 2HB LYS 25 -12.304 -17.341 -10.077 189 2HB LYS 25 3HB LYS 25 -13.811 -16.697 -9.458 190 1HG LYS 25 2HG LYS 25 -13.221 -14.521 -10.766 191 2HG LYS 25 3HG LYS 25 -11.995 -15.477 -11.575 192 1HD LYS 25 2HD LYS 25 -13.805 -15.759 -13.032 193 2HD LYS 25 3HD LYS 25 -13.974 -17.179 -12.018 194 1HE LYS 25 2HE LYS 25 -15.906 -16.410 -11.023 195 2HE LYS 25 3HE LYS 25 -15.343 -14.752 -10.960 196 1HZ LYS 25 1HZ LYS 25 -16.327 -14.316 -12.878 197 2HZ LYS 25 2HZ LYS 25 -15.774 -15.664 -13.615 198 3HZ LYS 25 3HZ LYS 25 -17.132 -15.727 -12.710 199 H GLU 26 HN GLU 26 -14.263 -15.743 -7.353 200 HA GLU 26 HA GLU 26 -15.049 -13.125 -7.673 201 1HB GLU 26 2HB GLU 26 -15.823 -15.440 -6.000 202 2HB GLU 26 3HB GLU 26 -16.181 -13.897 -5.249 203 1HG GLU 26 2HG GLU 26 -18.042 -14.813 -6.722 204 2HG GLU 26 3HG GLU 26 -17.535 -13.184 -7.120 205 H GLU 27 HN GLU 27 -13.073 -14.712 -5.109 206 HA GLU 27 HA GLU 27 -12.998 -12.560 -3.386 207 1HB GLU 27 2HB GLU 27 -11.438 -15.057 -3.817 208 2HB GLU 27 3HB GLU 27 -10.565 -13.791 -2.976 209 1HG GLU 27 2HG GLU 27 -12.898 -13.618 -1.613 210 2HG GLU 27 3HG GLU 27 -13.034 -15.289 -2.125 211 H LEU 28 HN LEU 28 -10.619 -13.574 -5.945 212 HA LEU 28 HA LEU 28 -8.908 -11.410 -5.600 213 1HB LEU 28 2HB LEU 28 -8.700 -13.660 -6.906 214 2HB LEU 28 3HB LEU 28 -9.340 -12.737 -8.252 215 HG LEU 28 HG LEU 28 -7.431 -11.534 -8.539 216 1HD1 LEU 28 1HD1 LEU 28 -5.801 -11.015 -6.698 217 2HD1 LEU 28 2HD1 LEU 28 -7.428 -10.325 -6.486 218 3HD1 LEU 28 3HD1 LEU 28 -6.946 -11.767 -5.561 219 1HD2 LEU 28 1HD2 LEU 28 -6.667 -14.148 -7.285 220 2HD2 LEU 28 2HD2 LEU 28 -6.541 -13.610 -8.977 221 3HD2 LEU 28 3HD2 LEU 28 -5.400 -12.991 -7.759 222 H LYS 29 HN LYS 29 -11.856 -11.846 -7.620 223 HA LYS 29 HA LYS 29 -11.741 -9.660 -9.201 224 1HB LYS 29 2HB LYS 29 -13.520 -11.338 -9.267 225 2HB LYS 29 3HB LYS 29 -14.158 -10.766 -7.739 226 1HG LYS 29 2HG LYS 29 -14.994 -8.781 -8.660 227 2HG LYS 29 3HG LYS 29 -13.796 -8.737 -9.937 228 1HD LYS 29 2HD LYS 29 -15.208 -9.788 -11.365 229 2HD LYS 29 3HD LYS 29 -15.375 -11.141 -10.263 230 1HE LYS 29 2HE LYS 29 -16.902 -8.565 -9.754 231 2HE LYS 29 3HE LYS 29 -17.512 -9.735 -10.907 232 1HZ LYS 29 1HZ LYS 29 -16.736 -11.050 -8.567 233 2HZ LYS 29 2HZ LYS 29 -17.737 -9.821 -8.174 234 3HZ LYS 29 3HZ LYS 29 -18.221 -10.959 -9.241 235 H LEU 30 HN LEU 30 -13.071 -9.723 -5.818 236 HA LEU 30 HA LEU 30 -13.597 -7.027 -5.639 237 1HB LEU 30 2HB LEU 30 -12.688 -8.892 -3.443 238 2HB LEU 30 3HB LEU 30 -13.516 -7.363 -3.226 239 HG LEU 30 HG LEU 30 -14.588 -9.987 -4.201 240 1HD1 LEU 30 1HD1 LEU 30 -15.909 -7.962 -2.398 241 2HD1 LEU 30 2HD1 LEU 30 -16.211 -9.711 -2.534 242 3HD1 LEU 30 3HD1 LEU 30 -14.702 -9.123 -1.793 243 1HD2 LEU 30 1HD2 LEU 30 -16.707 -8.615 -4.820 244 2HD2 LEU 30 2HD2 LEU 30 -15.561 -7.270 -5.038 245 3HD2 LEU 30 3HD2 LEU 30 -15.379 -8.759 -5.997 246 H LEU 31 HN LEU 31 -10.606 -8.784 -4.545 247 HA LEU 31 HA LEU 31 -9.179 -6.588 -3.760 248 1HB LEU 31 2HB LEU 31 -8.705 -9.144 -3.668 249 2HB LEU 31 3HB LEU 31 -7.881 -8.882 -5.192 250 HG LEU 31 HG LEU 31 -7.028 -6.925 -3.227 251 1HD1 LEU 31 1HD1 LEU 31 -7.068 -8.160 -1.368 252 2HD1 LEU 31 2HD1 LEU 31 -7.386 -9.666 -2.261 253 3HD1 LEU 31 3HD1 LEU 31 -5.718 -9.065 -2.095 254 1HD2 LEU 31 1HD2 LEU 31 -5.866 -7.543 -5.337 255 2HD2 LEU 31 2HD2 LEU 31 -4.829 -7.636 -3.893 256 3HD2 LEU 31 3HD2 LEU 31 -5.480 -9.125 -4.619 257 H LEU 32 HN LEU 32 -8.905 -8.199 -7.012 258 HA LEU 32 HA LEU 32 -7.340 -6.306 -8.195 259 1HB LEU 32 2HB LEU 32 -9.569 -7.872 -9.500 260 2HB LEU 32 3HB LEU 32 -8.197 -7.141 -10.309 261 HG LEU 32 HG LEU 32 -7.902 -9.297 -8.207 262 1HD1 LEU 32 1HD1 LEU 32 -7.391 -10.676 -10.410 263 2HD1 LEU 32 2HD1 LEU 32 -9.039 -10.535 -9.751 264 3HD1 LEU 32 3HD1 LEU 32 -8.536 -9.511 -11.117 265 1HD2 LEU 32 1HD2 LEU 32 -6.043 -7.595 -9.480 266 2HD2 LEU 32 2HD2 LEU 32 -5.717 -8.996 -8.431 267 3HD2 LEU 32 3HD2 LEU 32 -5.828 -9.212 -10.194 268 H GLN 33 HN GLN 33 -10.668 -6.050 -7.144 269 HA GLN 33 HA GLN 33 -11.408 -4.009 -8.918 270 1HB GLN 33 2HB GLN 33 -12.723 -5.596 -7.095 271 2HB GLN 33 3HB GLN 33 -12.698 -4.070 -6.233 272 1HG GLN 33 2HG GLN 33 -13.541 -3.007 -8.467 273 2HG GLN 33 3HG GLN 33 -13.890 -4.648 -8.972 274 1HE2 GLN 33 1HE2 GLN 33 -15.444 -5.872 -7.906 275 2HE2 GLN 33 2HE2 GLN 33 -16.665 -5.170 -6.897 276 H THR 34 HN THR 34 -10.536 -3.924 -5.380 277 HA THR 34 HA THR 34 -10.131 -1.058 -5.569 278 HB THR 34 HB THR 34 -10.583 -3.133 -3.483 279 HG1 THR 34 HG1 THR 34 -10.846 -0.215 -3.634 280 1HG2 THR 34 1HG2 THR 34 -8.697 -0.764 -3.049 281 2HG2 THR 34 2HG2 THR 34 -9.619 -1.517 -1.725 282 3HG2 THR 34 3HG2 THR 34 -8.407 -2.467 -2.618 283 H GLU 35 HN GLU 35 -8.174 -4.010 -4.821 284 HA GLU 35 HA GLU 35 -5.820 -2.815 -4.327 285 1HB GLU 35 2HB GLU 35 -6.092 -5.215 -4.129 286 2HB GLU 35 3HB GLU 35 -6.410 -5.388 -5.843 287 1HG GLU 35 2HG GLU 35 -4.192 -5.751 -6.142 288 2HG GLU 35 3HG GLU 35 -3.921 -4.065 -5.751 289 H PHE 36 HN PHE 36 -6.895 -3.963 -7.614 290 HA PHE 36 HA PHE 36 -5.634 -1.642 -8.780 291 1HB PHE 36 2HB PHE 36 -4.836 -4.574 -9.231 292 2HB PHE 36 3HB PHE 36 -4.445 -3.333 -10.404 293 HD1 PHE 36 HD1 PHE 36 -3.306 -1.159 -9.220 294 HD2 PHE 36 HD2 PHE 36 -3.149 -5.149 -7.783 295 HE1 PHE 36 HE1 PHE 36 -1.209 -0.620 -7.951 296 HE2 PHE 36 HE2 PHE 36 -1.051 -4.610 -6.514 297 HZ PHE 36 HZ PHE 36 -0.106 -2.351 -6.613 298 HA PRO 37 HA PRO 37 -9.377 -2.807 -10.933 299 1HB PRO 37 2HB PRO 37 -10.337 -0.274 -11.291 300 2HB PRO 37 3HB PRO 37 -10.747 -1.267 -9.907 301 1HG PRO 37 2HG PRO 37 -8.900 1.036 -10.053 302 2HG PRO 37 3HG PRO 37 -9.642 0.311 -8.640 303 1HD PRO 37 2HD PRO 37 -6.929 -0.015 -9.512 304 2HD PRO 37 3HD PRO 37 -7.703 -0.830 -8.168 305 H SER 38 HN SER 38 -6.775 -0.730 -11.712 306 HA SER 38 HA SER 38 -7.529 -0.235 -14.345 307 1HB SER 38 2HB SER 38 -5.649 0.821 -12.825 308 2HB SER 38 3HB SER 38 -4.640 -0.462 -13.461 309 HG SER 38 HG SER 38 -5.412 1.883 -14.661 310 H LEU 39 HN LEU 39 -5.948 -2.967 -12.700 311 HA LEU 39 HA LEU 39 -4.909 -4.169 -15.040 312 1HB LEU 39 2HB LEU 39 -4.835 -4.575 -12.248 313 2HB LEU 39 3HB LEU 39 -5.481 -6.049 -12.941 314 HG LEU 39 HG LEU 39 -2.838 -4.732 -13.613 315 1HD1 LEU 39 1HD1 LEU 39 -2.919 -5.942 -11.463 316 2HD1 LEU 39 2HD1 LEU 39 -3.436 -7.410 -12.327 317 3HD1 LEU 39 3HD1 LEU 39 -1.830 -6.710 -12.644 318 1HD2 LEU 39 1HD2 LEU 39 -3.149 -7.369 -14.734 319 2HD2 LEU 39 2HD2 LEU 39 -4.439 -6.293 -15.322 320 3HD2 LEU 39 3HD2 LEU 39 -2.731 -5.835 -15.534 321 H LEU 40 HN LEU 40 -8.096 -3.872 -13.649 322 HA LEU 40 HA LEU 40 -9.138 -6.252 -14.827 323 1HB LEU 40 2HB LEU 40 -10.458 -3.810 -13.638 324 2HB LEU 40 3HB LEU 40 -11.323 -5.229 -14.194 325 HG LEU 40 HG LEU 40 -9.224 -5.268 -12.010 326 1HD1 LEU 40 1HD1 LEU 40 -11.216 -5.577 -10.487 327 2HD1 LEU 40 2HD1 LEU 40 -11.000 -3.946 -11.166 328 3HD1 LEU 40 3HD1 LEU 40 -12.234 -5.036 -11.844 329 1HD2 LEU 40 1HD2 LEU 40 -10.668 -7.346 -13.458 330 2HD2 LEU 40 2HD2 LEU 40 -9.259 -7.465 -12.378 331 3HD2 LEU 40 3HD2 LEU 40 -10.904 -7.450 -11.697 332 H LYS 41 HN LYS 41 -8.502 -2.935 -15.848 333 HA LYS 41 HA LYS 41 -10.324 -2.966 -18.025 334 1HB LYS 41 2HB LYS 41 -7.938 -1.219 -17.364 335 2HB LYS 41 3HB LYS 41 -8.989 -0.952 -18.740 336 1HG LYS 41 2HG LYS 41 -10.836 -1.243 -16.691 337 2HG LYS 41 3HG LYS 41 -9.503 -0.480 -15.847 338 1HD LYS 41 2HD LYS 41 -9.952 1.525 -16.812 339 2HD LYS 41 3HD LYS 41 -9.875 0.828 -18.418 340 1HE LYS 41 2HE LYS 41 -12.339 0.035 -17.014 341 2HE LYS 41 3HE LYS 41 -12.188 1.778 -17.114 342 1HZ LYS 41 1HZ LYS 41 -12.291 1.726 -19.354 343 2HZ LYS 41 2HZ LYS 41 -11.602 0.253 -19.504 344 3HZ LYS 41 3HZ LYS 41 -13.168 0.380 -19.060 345 H GLY 42 HN GLY 42 -6.946 -3.982 -17.482 346 1HA GLY 42 1HA GLY 42 -5.862 -4.152 -19.934 347 2HA GLY 42 2HA GLY 42 -5.686 -5.402 -18.718 348 H MET 43 HN MET 43 -5.610 -6.081 -21.432 349 HA MET 43 HA MET 43 -8.163 -6.791 -22.375 350 1HB MET 43 2HB MET 43 -5.360 -7.809 -23.105 351 2HB MET 43 3HB MET 43 -6.796 -8.104 -24.065 352 1HG MET 43 2HG MET 43 -6.923 -5.360 -23.801 353 2HG MET 43 3HG MET 43 -5.188 -5.603 -23.779 354 1HE MET 43 1HE MET 43 -3.831 -6.739 -25.506 355 2HE MET 43 2HE MET 43 -4.198 -6.448 -27.224 356 3HE MET 43 3HE MET 43 -4.102 -5.079 -26.090 357 H SER 44 HN SER 44 -6.414 -7.982 -19.779 358 HA SER 44 HA SER 44 -7.098 -10.740 -20.265 359 1HB SER 44 2HB SER 44 -5.575 -9.321 -18.044 360 2HB SER 44 3HB SER 44 -5.976 -11.025 -17.957 361 HG SER 44 HG SER 44 -3.808 -10.161 -18.995 362 H THR 45 HN THR 45 -9.330 -11.004 -20.036 363 HA THR 45 HA THR 45 -10.867 -9.573 -18.154 364 HB THR 45 HB THR 45 -12.645 -11.075 -18.939 365 HG1 THR 45 HG1 THR 45 -10.485 -12.551 -20.233 366 1HG2 THR 45 1HG2 THR 45 -11.455 -11.339 -21.508 367 2HG2 THR 45 2HG2 THR 45 -12.526 -10.024 -20.968 368 3HG2 THR 45 3HG2 THR 45 -10.760 -9.852 -20.822 369 H LEU 46 HN LEU 46 -12.303 -10.800 -16.496 370 HA LEU 46 HA LEU 46 -10.700 -11.550 -14.408 371 1HB LEU 46 2HB LEU 46 -13.247 -10.912 -14.640 372 2HB LEU 46 3HB LEU 46 -13.467 -12.651 -14.651 373 HG LEU 46 HG LEU 46 -11.814 -12.327 -12.483 374 1HD1 LEU 46 1HD1 LEU 46 -11.767 -10.026 -12.273 375 2HD1 LEU 46 2HD1 LEU 46 -13.451 -9.831 -12.816 376 3HD1 LEU 46 3HD1 LEU 46 -13.108 -10.471 -11.191 377 1HD2 LEU 46 1HD2 LEU 46 -14.841 -12.360 -12.582 378 2HD2 LEU 46 2HD2 LEU 46 -13.748 -13.763 -12.528 379 3HD2 LEU 46 3HD2 LEU 46 -13.864 -12.671 -11.127 380 H ASP 47 HN ASP 47 -12.730 -13.797 -16.426 381 HA ASP 47 HA ASP 47 -11.912 -16.115 -15.420 382 1HB ASP 47 2HB ASP 47 -12.943 -15.168 -17.984 383 2HB ASP 47 3HB ASP 47 -11.841 -16.505 -18.247 384 H GLU 48 HN GLU 48 -10.300 -14.242 -18.098 385 HA GLU 48 HA GLU 48 -8.240 -15.977 -18.555 386 1HB GLU 48 2HB GLU 48 -8.925 -13.228 -19.212 387 2HB GLU 48 3HB GLU 48 -7.206 -13.342 -18.891 388 1HG GLU 48 2HG GLU 48 -7.444 -15.554 -20.425 389 2HG GLU 48 3HG GLU 48 -8.831 -14.681 -21.045 390 H LEU 49 HN LEU 49 -8.455 -13.227 -16.210 391 HA LEU 49 HA LEU 49 -5.823 -13.493 -15.271 392 1HB LEU 49 2HB LEU 49 -7.873 -11.707 -14.981 393 2HB LEU 49 3HB LEU 49 -7.845 -12.464 -13.400 394 HG LEU 49 HG LEU 49 -5.211 -11.976 -13.669 395 1HD1 LEU 49 1HD1 LEU 49 -4.623 -10.455 -15.181 396 2HD1 LEU 49 2HD1 LEU 49 -6.232 -10.678 -15.911 397 3HD1 LEU 49 3HD1 LEU 49 -5.964 -9.376 -14.727 398 1HD2 LEU 49 1HD2 LEU 49 -5.922 -11.099 -11.735 399 2HD2 LEU 49 2HD2 LEU 49 -6.038 -9.575 -12.648 400 3HD2 LEU 49 3HD2 LEU 49 -7.483 -10.589 -12.422 401 H PHE 50 HN PHE 50 -8.976 -14.903 -14.236 402 HA PHE 50 HA PHE 50 -8.049 -16.112 -11.918 403 1HB PHE 50 2HB PHE 50 -10.445 -15.802 -12.786 404 2HB PHE 50 3HB PHE 50 -10.135 -17.045 -13.981 405 HD1 PHE 50 HD1 PHE 50 -9.376 -16.848 -10.327 406 HD2 PHE 50 HD2 PHE 50 -11.371 -18.916 -13.450 407 HE1 PHE 50 HE1 PHE 50 -10.115 -18.603 -8.692 408 HE2 PHE 50 HE2 PHE 50 -12.110 -20.671 -11.815 409 HZ PHE 50 HZ PHE 50 -11.473 -20.494 -9.456 410 H GLU 51 HN GLU 51 -8.405 -17.480 -15.270 411 HA GLU 51 HA GLU 51 -7.264 -19.929 -14.518 412 1HB GLU 51 2HB GLU 51 -8.383 -18.694 -16.918 413 2HB GLU 51 3HB GLU 51 -6.944 -19.611 -17.317 414 1HG GLU 51 2HG GLU 51 -8.086 -21.434 -15.694 415 2HG GLU 51 3HG GLU 51 -9.547 -20.576 -16.141 416 H GLU 52 HN GLU 52 -6.005 -16.887 -15.954 417 HA GLU 52 HA GLU 52 -3.518 -17.878 -16.658 418 1HB GLU 52 2HB GLU 52 -4.361 -15.737 -17.493 419 2HB GLU 52 3HB GLU 52 -4.405 -15.069 -15.874 420 1HG GLU 52 2HG GLU 52 -2.061 -14.894 -15.725 421 2HG GLU 52 3HG GLU 52 -1.783 -16.163 -16.901 422 H LEU 53 HN LEU 53 -4.555 -16.033 -13.697 423 HA LEU 53 HA LEU 53 -2.108 -16.145 -12.406 424 1HB LEU 53 2HB LEU 53 -4.884 -16.076 -11.215 425 2HB LEU 53 3HB LEU 53 -3.397 -15.678 -10.376 426 HG LEU 53 HG LEU 53 -4.095 -14.174 -12.876 427 1HD1 LEU 53 1HD1 LEU 53 -5.950 -14.377 -10.828 428 2HD1 LEU 53 2HD1 LEU 53 -5.083 -12.865 -10.465 429 3HD1 LEU 53 3HD1 LEU 53 -5.856 -13.088 -12.053 430 1HD2 LEU 53 1HD2 LEU 53 -2.238 -13.111 -12.284 431 2HD2 LEU 53 2HD2 LEU 53 -3.115 -12.479 -10.869 432 3HD2 LEU 53 3HD2 LEU 53 -2.166 -13.979 -10.732 433 H ASP 54 HN ASP 54 -4.956 -18.381 -12.190 434 HA ASP 54 HA ASP 54 -3.620 -20.104 -10.428 435 1HB ASP 54 2HB ASP 54 -6.177 -19.829 -10.963 436 2HB ASP 54 3HB ASP 54 -5.872 -20.917 -12.302 437 H LYS 55 HN LYS 55 -1.697 -21.059 -11.193 438 HA LYS 55 HA LYS 55 -1.886 -22.404 -13.799 439 1HB LYS 55 2HB LYS 55 0.517 -21.975 -14.082 440 2HB LYS 55 3HB LYS 55 -0.411 -20.492 -13.983 441 1HG LYS 55 2HG LYS 55 0.800 -19.807 -12.195 442 2HG LYS 55 3HG LYS 55 0.346 -21.243 -11.298 443 1HD LYS 55 2HD LYS 55 2.196 -22.431 -12.786 444 2HD LYS 55 3HD LYS 55 2.780 -20.800 -13.049 445 1HE LYS 55 2HE LYS 55 3.548 -20.579 -10.891 446 2HE LYS 55 3HE LYS 55 2.168 -21.412 -10.203 447 1HZ LYS 55 1HZ LYS 55 4.466 -22.523 -10.210 448 2HZ LYS 55 2HZ LYS 55 3.145 -23.431 -10.523 449 3HZ LYS 55 3HZ LYS 55 4.105 -22.937 -11.748 450 H ASN 56 HN ASN 56 -1.963 -22.842 -10.515 451 HA ASN 56 HA ASN 56 -0.195 -25.116 -10.518 452 1HB ASN 56 2HB ASN 56 -1.971 -23.933 -8.317 453 2HB ASN 56 3HB ASN 56 -0.840 -25.250 -8.077 454 1HD2 ASN 56 1HD2 ASN 56 1.403 -24.888 -8.337 455 2HD2 ASN 56 2HD2 ASN 56 2.102 -23.316 -8.136 456 H GLY 57 HN GLY 57 -3.048 -24.656 -11.898 457 1HA GLY 57 1HA GLY 57 -5.035 -25.745 -12.104 458 2HA GLY 57 2HA GLY 57 -3.973 -27.137 -12.176 459 H ASP 58 HN ASP 58 -5.395 -24.921 -9.660 460 HA ASP 58 HA ASP 58 -6.129 -27.335 -8.214 461 1HB ASP 58 2HB ASP 58 -5.711 -25.712 -6.122 462 2HB ASP 58 3HB ASP 58 -4.420 -26.690 -6.791 463 H GLY 59 HN GLY 59 -6.379 -23.691 -8.252 464 1HA GLY 59 1HA GLY 59 -8.680 -22.935 -8.945 465 2HA GLY 59 2HA GLY 59 -9.259 -23.952 -7.641 466 H GLU 60 HN GLU 60 -6.311 -22.955 -6.510 467 HA GLU 60 HA GLU 60 -7.532 -20.625 -5.251 468 1HB GLU 60 2HB GLU 60 -6.069 -21.083 -3.311 469 2HB GLU 60 3HB GLU 60 -7.081 -22.467 -3.675 470 1HG GLU 60 2HG GLU 60 -4.836 -22.966 -5.246 471 2HG GLU 60 3HG GLU 60 -4.130 -22.191 -3.841 472 H VAL 61 HN VAL 61 -6.492 -18.644 -5.385 473 HA VAL 61 HA VAL 61 -4.009 -18.651 -6.938 474 HB VAL 61 HB VAL 61 -6.176 -16.601 -6.480 475 1HG1 VAL 61 1HG1 VAL 61 -3.358 -16.203 -7.195 476 2HG1 VAL 61 2HG1 VAL 61 -4.490 -15.524 -8.387 477 3HG1 VAL 61 3HG1 VAL 61 -4.589 -15.025 -6.681 478 1HG2 VAL 61 1HG2 VAL 61 -6.272 -18.573 -8.228 479 2HG2 VAL 61 2HG2 VAL 61 -6.799 -16.933 -8.676 480 3HG2 VAL 61 3HG2 VAL 61 -5.188 -17.515 -9.162 481 H SER 62 HN SER 62 -3.472 -19.504 -4.452 482 HA SER 62 HA SER 62 -3.303 -17.846 -2.380 483 1HB SER 62 2HB SER 62 -0.734 -19.175 -2.655 484 2HB SER 62 3HB SER 62 -2.043 -19.527 -1.545 485 HG SER 62 HG SER 62 -1.766 -20.483 -4.264 486 H PHE 63 HN PHE 63 -1.254 -16.676 -1.472 487 HA PHE 63 HA PHE 63 -0.705 -14.472 -2.963 488 1HB PHE 63 2HB PHE 63 -0.261 -15.010 -0.476 489 2HB PHE 63 3HB PHE 63 1.142 -15.931 -0.980 490 HD1 PHE 63 HD1 PHE 63 3.038 -14.802 -0.312 491 HD2 PHE 63 HD2 PHE 63 -0.143 -12.586 -2.038 492 HE1 PHE 63 HE1 PHE 63 4.438 -12.721 -0.221 493 HE2 PHE 63 HE2 PHE 63 1.257 -10.505 -1.947 494 HZ PHE 63 HZ PHE 63 3.530 -10.597 -1.039 495 H GLU 64 HN GLU 64 0.903 -17.660 -3.034 496 HA GLU 64 HA GLU 64 3.253 -16.989 -4.208 497 1HB GLU 64 2HB GLU 64 2.888 -19.349 -5.387 498 2HB GLU 64 3HB GLU 64 3.136 -19.236 -3.656 499 1HG GLU 64 2HG GLU 64 1.036 -19.994 -3.201 500 2HG GLU 64 3HG GLU 64 0.302 -18.882 -4.340 501 H GLU 65 HN GLU 65 0.132 -17.835 -5.873 502 HA GLU 65 HA GLU 65 1.161 -17.321 -8.417 503 1HB GLU 65 2HB GLU 65 -1.723 -17.366 -7.422 504 2HB GLU 65 3HB GLU 65 -1.255 -17.370 -9.111 505 1HG GLU 65 2HG GLU 65 -0.640 -19.581 -9.074 506 2HG GLU 65 3HG GLU 65 0.124 -19.449 -7.503 507 H PHE 66 HN PHE 66 -0.214 -15.287 -5.870 508 HA PHE 66 HA PHE 66 -1.065 -13.136 -7.388 509 1HB PHE 66 2HB PHE 66 -1.119 -13.788 -4.793 510 2HB PHE 66 3HB PHE 66 0.417 -12.948 -4.717 511 HD1 PHE 66 HD1 PHE 66 0.356 -10.741 -4.076 512 HD2 PHE 66 HD2 PHE 66 -3.012 -12.358 -6.089 513 HE1 PHE 66 HE1 PHE 66 -0.851 -8.556 -3.812 514 HE2 PHE 66 HE2 PHE 66 -4.219 -10.173 -5.825 515 HZ PHE 66 HZ PHE 66 -3.124 -8.299 -4.690 516 H GLN 67 HN GLN 67 2.206 -14.076 -6.241 517 HA GLN 67 HA GLN 67 3.442 -11.664 -6.762 518 1HB GLN 67 2HB GLN 67 4.608 -14.479 -6.922 519 2HB GLN 67 3HB GLN 67 5.545 -13.004 -6.790 520 1HG GLN 67 2HG GLN 67 3.894 -12.633 -4.661 521 2HG GLN 67 3HG GLN 67 3.870 -14.385 -4.713 522 1HE2 GLN 67 1HE2 GLN 67 5.035 -12.487 -2.786 523 2HE2 GLN 67 2HE2 GLN 67 6.710 -12.897 -2.625 524 H VAL 68 HN VAL 68 1.992 -13.913 -8.917 525 HA VAL 68 HA VAL 68 3.768 -13.467 -11.118 526 HB VAL 68 HB VAL 68 0.966 -14.600 -11.055 527 1HG1 VAL 68 1HG1 VAL 68 3.210 -15.011 -13.059 528 2HG1 VAL 68 2HG1 VAL 68 1.571 -15.701 -13.136 529 3HG1 VAL 68 3HG1 VAL 68 1.806 -13.944 -13.296 530 1HG2 VAL 68 1HG2 VAL 68 3.046 -15.616 -9.631 531 2HG2 VAL 68 2HG2 VAL 68 1.739 -16.600 -10.332 532 3HG2 VAL 68 3HG2 VAL 68 3.288 -16.435 -11.193 533 H LEU 69 HN LEU 69 0.675 -12.133 -9.878 534 HA LEU 69 HA LEU 69 0.266 -10.521 -12.198 535 1HB LEU 69 2HB LEU 69 -1.426 -11.490 -10.476 536 2HB LEU 69 3HB LEU 69 -1.025 -10.072 -9.529 537 HG LEU 69 HG LEU 69 -1.857 -8.589 -11.207 538 1HD1 LEU 69 1HD1 LEU 69 -1.747 -11.002 -12.972 539 2HD1 LEU 69 2HD1 LEU 69 -2.961 -9.744 -13.304 540 3HD1 LEU 69 3HD1 LEU 69 -1.230 -9.328 -13.283 541 1HD2 LEU 69 1HD2 LEU 69 -4.178 -10.105 -11.613 542 2HD2 LEU 69 2HD2 LEU 69 -3.496 -10.687 -10.075 543 3HD2 LEU 69 3HD2 LEU 69 -3.847 -8.956 -10.294 544 H VAL 70 HN VAL 70 1.956 -10.240 -9.090 545 HA VAL 70 HA VAL 70 2.115 -7.517 -8.833 546 HB VAL 70 HB VAL 70 3.834 -9.842 -8.103 547 1HG1 VAL 70 1HG1 VAL 70 5.425 -8.320 -6.938 548 2HG1 VAL 70 2HG1 VAL 70 5.514 -8.209 -8.713 549 3HG1 VAL 70 3HG1 VAL 70 4.677 -6.943 -7.782 550 1HG2 VAL 70 1HG2 VAL 70 2.184 -9.594 -6.526 551 2HG2 VAL 70 2HG2 VAL 70 3.439 -8.550 -5.817 552 3HG2 VAL 70 3HG2 VAL 70 2.093 -7.829 -6.732 553 H LYS 71 HN LYS 71 3.441 -9.600 -11.314 554 HA LYS 71 HA LYS 71 5.565 -7.894 -12.083 555 1HB LYS 71 2HB LYS 71 4.771 -10.474 -12.658 556 2HB LYS 71 3HB LYS 71 4.415 -9.636 -14.155 557 1HG LYS 71 2HG LYS 71 6.702 -8.806 -14.329 558 2HG LYS 71 3HG LYS 71 7.088 -9.358 -12.711 559 1HD LYS 71 2HD LYS 71 6.204 -11.274 -14.911 560 2HD LYS 71 3HD LYS 71 7.886 -10.846 -14.668 561 1HE LYS 71 2HE LYS 71 6.139 -11.959 -12.427 562 2HE LYS 71 3HE LYS 71 7.078 -12.990 -13.489 563 1HZ LYS 71 1HZ LYS 71 9.007 -12.259 -12.604 564 2HZ LYS 71 2HZ LYS 71 8.447 -10.773 -12.225 565 3HZ LYS 71 3HZ LYS 71 8.061 -12.054 -11.289 566 H LYS 72 HN LYS 72 2.170 -8.387 -13.245 567 HA LYS 72 HA LYS 72 2.390 -6.364 -15.214 568 1HB LYS 72 2HB LYS 72 -0.024 -7.711 -13.965 569 2HB LYS 72 3HB LYS 72 -0.086 -6.638 -15.349 570 1HG LYS 72 2HG LYS 72 0.065 -8.704 -16.427 571 2HG LYS 72 3HG LYS 72 1.760 -8.265 -16.352 572 1HD LYS 72 2HD LYS 72 2.229 -9.789 -14.620 573 2HD LYS 72 3HD LYS 72 0.579 -9.793 -14.030 574 1HE LYS 72 2HE LYS 72 1.272 -10.914 -16.775 575 2HE LYS 72 3HE LYS 72 1.416 -11.896 -15.331 576 1HZ LYS 72 1HZ LYS 72 -1.011 -10.635 -16.383 577 2HZ LYS 72 2HZ LYS 72 -0.722 -12.227 -16.165 578 3HZ LYS 72 3HZ LYS 72 -0.935 -11.252 -14.873 579 H ILE 73 HN ILE 73 1.597 -6.459 -11.755 580 HA ILE 73 HA ILE 73 0.435 -3.853 -11.741 581 HB ILE 73 HB ILE 73 1.272 -5.856 -9.675 582 1HG1 ILE 73 2HG1 ILE 73 -1.418 -4.552 -9.887 583 2HG1 ILE 73 3HG1 ILE 73 -0.969 -5.753 -11.082 584 1HG2 ILE 73 1HG2 ILE 73 0.611 -4.359 -7.891 585 2HG2 ILE 73 2HG2 ILE 73 1.951 -3.642 -8.818 586 3HG2 ILE 73 3HG2 ILE 73 0.288 -3.057 -9.061 587 1HD1 ILE 73 1HD1 ILE 73 -2.162 -6.542 -8.882 588 2HD1 ILE 73 2HD1 ILE 73 -0.772 -7.480 -9.480 589 3HD1 ILE 73 3HD1 ILE 73 -0.560 -6.334 -8.134 590 H SER 74 HN SER 74 3.605 -5.047 -12.130 591 HA SER 74 HA SER 74 4.809 -2.825 -10.756 592 1HB SER 74 2HB SER 74 5.728 -5.395 -11.948 593 2HB SER 74 3HB SER 74 6.864 -4.070 -12.104 594 HG SER 74 HG SER 74 6.317 -3.761 -9.661 595 H GLN 75 HN GLN 75 4.289 -4.099 -14.092 596 HA GLN 75 HA GLN 75 5.760 -2.048 -15.320 597 1HB GLN 75 2HB GLN 75 4.481 -4.452 -16.102 598 2HB GLN 75 3HB GLN 75 3.684 -3.195 -17.027 599 1HG GLN 75 2HG GLN 75 5.478 -3.551 -18.440 600 2HG GLN 75 3HG GLN 75 6.220 -2.356 -17.395 601 1HE2 GLN 75 1HE2 GLN 75 5.493 -5.845 -17.236 602 2HE2 GLN 75 2HE2 GLN 75 7.068 -6.375 -16.747 Start of MODEL 2 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 3.128 0.111 -0.993 3 1HB LYS 1 2HB LYS 1 1.790 -2.139 -1.230 4 2HB LYS 1 3HB LYS 1 1.019 -1.328 -2.579 5 1HG LYS 1 2HG LYS 1 2.824 -2.174 -3.736 6 2HG LYS 1 3HG LYS 1 3.591 -0.704 -3.168 7 1HD LYS 1 2HD LYS 1 5.107 -2.495 -2.634 8 2HD LYS 1 3HD LYS 1 4.384 -2.003 -1.116 9 1HE LYS 1 2HE LYS 1 2.792 -3.885 -1.204 10 2HE LYS 1 3HE LYS 1 3.353 -4.333 -2.803 11 1HZ LYS 1 1HZ LYS 1 5.115 -5.340 -1.944 12 2HZ LYS 1 2HZ LYS 1 5.449 -4.144 -0.882 13 3HZ LYS 1 3HZ LYS 1 4.339 -5.283 -0.508 14 H SER 2 HN SER 2 1.948 0.142 -3.830 15 HA SER 2 HA SER 2 1.706 2.974 -3.902 16 1HB SER 2 2HB SER 2 2.265 0.794 -5.776 17 2HB SER 2 3HB SER 2 1.131 1.936 -6.470 18 HG SER 2 HG SER 2 2.861 3.560 -5.455 19 HA PRO 3 HA PRO 3 -2.624 3.196 -4.270 20 1HB PRO 3 2HB PRO 3 -3.025 5.295 -5.974 21 2HB PRO 3 3HB PRO 3 -2.618 5.499 -4.282 22 1HG PRO 3 2HG PRO 3 -0.897 5.859 -6.658 23 2HG PRO 3 3HG PRO 3 -0.655 6.453 -5.027 24 1HD PRO 3 2HD PRO 3 0.665 4.222 -6.255 25 2HD PRO 3 3HD PRO 3 0.821 4.746 -4.590 26 H GLU 4 HN GLU 4 -1.003 3.185 -7.374 27 HA GLU 4 HA GLU 4 -3.235 2.503 -8.846 28 1HB GLU 4 2HB GLU 4 -0.447 2.862 -9.289 29 2HB GLU 4 3HB GLU 4 -0.824 1.270 -9.916 30 1HG GLU 4 2HG GLU 4 -2.822 3.370 -10.610 31 2HG GLU 4 3HG GLU 4 -1.229 3.636 -11.289 32 H GLU 5 HN GLU 5 -1.048 0.576 -6.807 33 HA GLU 5 HA GLU 5 -1.781 -1.909 -7.855 34 1HB GLU 5 2HB GLU 5 -0.221 -0.867 -5.577 35 2HB GLU 5 3HB GLU 5 -1.036 -2.372 -5.201 36 1HG GLU 5 2HG GLU 5 -0.074 -3.010 -7.673 37 2HG GLU 5 3HG GLU 5 1.136 -1.832 -7.201 38 H LEU 6 HN LEU 6 -3.180 0.268 -5.406 39 HA LEU 6 HA LEU 6 -4.837 -1.584 -4.139 40 1HB LEU 6 2HB LEU 6 -4.945 1.398 -4.520 41 2HB LEU 6 3HB LEU 6 -6.198 0.537 -3.648 42 HG LEU 6 HG LEU 6 -3.271 0.372 -2.901 43 1HD1 LEU 6 1HD1 LEU 6 -4.891 2.659 -2.725 44 2HD1 LEU 6 2HD1 LEU 6 -4.843 1.971 -1.084 45 3HD1 LEU 6 3HD1 LEU 6 -3.326 2.365 -1.928 46 1HD2 LEU 6 1HD2 LEU 6 -5.836 -0.583 -1.677 47 2HD2 LEU 6 2HD2 LEU 6 -4.279 -1.424 -1.872 48 3HD2 LEU 6 3HD2 LEU 6 -4.459 -0.162 -0.631 49 H LYS 7 HN LYS 7 -5.278 0.444 -7.087 50 HA LYS 7 HA LYS 7 -7.965 -0.309 -7.473 51 1HB LYS 7 2HB LYS 7 -6.353 1.611 -8.490 52 2HB LYS 7 3HB LYS 7 -6.302 0.463 -9.813 53 1HG LYS 7 2HG LYS 7 -9.031 0.568 -8.988 54 2HG LYS 7 3HG LYS 7 -8.477 2.230 -9.005 55 1HD LYS 7 2HD LYS 7 -7.504 1.754 -11.346 56 2HD LYS 7 3HD LYS 7 -8.369 0.231 -11.305 57 1HE LYS 7 2HE LYS 7 -10.359 1.236 -11.775 58 2HE LYS 7 3HE LYS 7 -10.129 2.446 -10.529 59 1HZ LYS 7 1HZ LYS 7 -8.910 2.523 -13.203 60 2HZ LYS 7 2HZ LYS 7 -10.182 3.422 -12.711 61 3HZ LYS 7 3HZ LYS 7 -8.710 3.654 -12.042 62 H GLY 8 HN GLY 8 -4.855 -1.457 -8.953 63 1HA GLY 8 1HA GLY 8 -5.912 -3.406 -10.608 64 2HA GLY 8 2HA GLY 8 -4.313 -3.426 -9.890 65 H ILE 9 HN ILE 9 -4.523 -3.867 -7.270 66 HA ILE 9 HA ILE 9 -5.196 -6.531 -7.049 67 HB ILE 9 HB ILE 9 -4.605 -4.318 -5.138 68 1HG1 ILE 9 2HG1 ILE 9 -3.299 -6.968 -5.816 69 2HG1 ILE 9 3HG1 ILE 9 -2.757 -5.373 -6.299 70 1HG2 ILE 9 1HG2 ILE 9 -5.945 -5.244 -3.591 71 2HG2 ILE 9 2HG2 ILE 9 -6.080 -6.785 -4.471 72 3HG2 ILE 9 3HG2 ILE 9 -4.650 -6.459 -3.463 73 1HD1 ILE 9 1HD1 ILE 9 -3.035 -5.207 -3.487 74 2HD1 ILE 9 2HD1 ILE 9 -2.288 -6.794 -3.793 75 3HD1 ILE 9 3HD1 ILE 9 -1.514 -5.312 -4.406 76 H PHE 10 HN PHE 10 -7.083 -3.584 -6.130 77 HA PHE 10 HA PHE 10 -9.211 -4.808 -4.940 78 1HB PHE 10 2HB PHE 10 -9.117 -2.411 -4.971 79 2HB PHE 10 3HB PHE 10 -8.727 -2.359 -6.679 80 HD1 PHE 10 HD1 PHE 10 -11.399 -2.456 -4.220 81 HD2 PHE 10 HD2 PHE 10 -10.509 -2.618 -8.366 82 HE1 PHE 10 HE1 PHE 10 -13.804 -1.982 -4.755 83 HE2 PHE 10 HE2 PHE 10 -12.914 -2.143 -8.901 84 HZ PHE 10 HZ PHE 10 -14.534 -1.831 -7.089 85 H GLU 11 HN GLU 11 -8.864 -3.981 -8.467 86 HA GLU 11 HA GLU 11 -11.279 -5.124 -9.183 87 1HB GLU 11 2HB GLU 11 -9.153 -3.760 -10.459 88 2HB GLU 11 3HB GLU 11 -9.271 -5.291 -11.304 89 1HG GLU 11 2HG GLU 11 -11.958 -4.469 -10.941 90 2HG GLU 11 3HG GLU 11 -11.101 -2.999 -11.360 91 H LYS 12 HN LYS 12 -7.961 -6.469 -8.888 92 HA LYS 12 HA LYS 12 -8.403 -8.887 -10.166 93 1HB LYS 12 2HB LYS 12 -6.230 -7.776 -9.282 94 2HB LYS 12 3HB LYS 12 -6.599 -8.579 -7.770 95 1HG LYS 12 2HG LYS 12 -6.952 -10.698 -9.408 96 2HG LYS 12 3HG LYS 12 -5.865 -9.783 -10.432 97 1HD LYS 12 2HD LYS 12 -4.502 -9.542 -8.100 98 2HD LYS 12 3HD LYS 12 -5.344 -11.038 -7.749 99 1HE LYS 12 2HE LYS 12 -4.147 -10.941 -10.471 100 2HE LYS 12 3HE LYS 12 -2.971 -10.848 -9.175 101 1HZ LYS 12 1HZ LYS 12 -3.487 -12.910 -8.470 102 2HZ LYS 12 2HZ LYS 12 -5.055 -12.837 -8.919 103 3HZ LYS 12 3HZ LYS 12 -3.897 -13.115 -10.037 104 H TYR 13 HN TYR 13 -9.509 -7.656 -7.055 105 HA TYR 13 HA TYR 13 -10.286 -10.337 -6.209 106 1HB TYR 13 2HB TYR 13 -9.977 -7.529 -5.094 107 2HB TYR 13 3HB TYR 13 -11.165 -8.547 -4.306 108 HD1 TYR 13 HD1 TYR 13 -10.481 -9.872 -2.522 109 HD2 TYR 13 HD2 TYR 13 -7.588 -8.678 -5.440 110 HE1 TYR 13 HE1 TYR 13 -8.635 -10.947 -1.143 111 HE2 TYR 13 HE2 TYR 13 -5.753 -9.757 -4.051 112 HH TYR 13 HH TYR 13 -6.351 -11.933 -1.653 113 H ALA 14 HN ALA 14 -11.705 -7.093 -6.972 114 HA ALA 14 HA ALA 14 -14.351 -7.804 -6.466 115 1HB ALA 14 1HB ALA 14 -14.851 -5.720 -7.375 116 2HB ALA 14 2HB ALA 14 -13.141 -5.503 -6.932 117 3HB ALA 14 3HB ALA 14 -13.587 -5.842 -8.622 118 H ALA 15 HN ALA 15 -12.142 -8.661 -9.045 119 HA ALA 15 HA ALA 15 -14.271 -9.322 -10.884 120 1HB ALA 15 1HB ALA 15 -11.252 -9.398 -10.891 121 2HB ALA 15 2HB ALA 15 -12.173 -10.288 -12.127 122 3HB ALA 15 3HB ALA 15 -12.360 -8.524 -11.975 123 H LYS 16 HN LYS 16 -12.459 -10.775 -8.261 124 HA LYS 16 HA LYS 16 -12.466 -13.429 -9.012 125 1HB LYS 16 2HB LYS 16 -11.768 -11.936 -6.768 126 2HB LYS 16 3HB LYS 16 -13.024 -13.003 -6.173 127 1HG LYS 16 2HG LYS 16 -11.755 -14.918 -7.387 128 2HG LYS 16 3HG LYS 16 -10.431 -13.785 -7.567 129 1HD LYS 16 2HD LYS 16 -9.956 -13.745 -5.283 130 2HD LYS 16 3HD LYS 16 -11.617 -14.052 -4.818 131 1HE LYS 16 2HE LYS 16 -10.476 -16.306 -6.336 132 2HE LYS 16 3HE LYS 16 -9.534 -15.945 -4.903 133 1HZ LYS 16 1HZ LYS 16 -12.329 -16.733 -5.083 134 2HZ LYS 16 2HZ LYS 16 -11.154 -17.313 -4.108 135 3HZ LYS 16 3HZ LYS 16 -11.832 -15.862 -3.794 136 H GLU 17 HN GLU 17 -14.912 -11.808 -6.860 137 HA GLU 17 HA GLU 17 -16.826 -13.712 -7.967 138 1HB GLU 17 2HB GLU 17 -16.529 -12.628 -5.144 139 2HB GLU 17 3HB GLU 17 -18.034 -13.336 -5.696 140 1HG GLU 17 2HG GLU 17 -16.072 -15.186 -6.526 141 2HG GLU 17 3HG GLU 17 -15.516 -14.662 -4.949 142 H GLY 18 HN GLY 18 -18.653 -12.861 -8.920 143 1HA GLY 18 1HA GLY 18 -20.169 -11.350 -9.609 144 2HA GLY 18 2HA GLY 18 -19.853 -10.429 -8.152 145 H ASP 19 HN ASP 19 -20.350 -8.786 -10.128 146 HA ASP 19 HA ASP 19 -18.388 -8.298 -11.978 147 1HB ASP 19 2HB ASP 19 -20.813 -7.250 -11.503 148 2HB ASP 19 3HB ASP 19 -19.882 -6.009 -10.688 149 HA PRO 20 HA PRO 20 -15.293 -6.512 -9.415 150 1HB PRO 20 2HB PRO 20 -13.654 -5.462 -11.334 151 2HB PRO 20 3HB PRO 20 -13.619 -7.149 -10.862 152 1HG PRO 20 2HG PRO 20 -14.750 -5.931 -13.307 153 2HG PRO 20 3HG PRO 20 -14.324 -7.605 -13.010 154 1HD PRO 20 2HD PRO 20 -16.963 -6.482 -13.024 155 2HD PRO 20 3HD PRO 20 -16.527 -8.129 -12.614 156 H ASN 21 HN ASN 21 -17.602 -4.846 -10.988 157 HA ASN 21 HA ASN 21 -16.445 -2.275 -10.459 158 1HB ASN 21 2HB ASN 21 -19.032 -3.278 -11.701 159 2HB ASN 21 3HB ASN 21 -18.918 -1.602 -11.203 160 1HD2 ASN 21 1HD2 ASN 21 -18.716 -3.500 -13.770 161 2HD2 ASN 21 2HD2 ASN 21 -17.547 -2.684 -14.754 162 H GLN 22 HN GLN 22 -17.978 -4.711 -8.694 163 HA GLN 22 HA GLN 22 -18.772 -2.799 -6.686 164 1HB GLN 22 2HB GLN 22 -20.869 -4.420 -6.339 165 2HB GLN 22 3HB GLN 22 -20.944 -3.054 -7.434 166 1HG GLN 22 2HG GLN 22 -19.846 -5.522 -8.674 167 2HG GLN 22 3HG GLN 22 -21.502 -5.685 -8.125 168 1HE2 GLN 22 1HE2 GLN 22 -22.825 -5.428 -9.748 169 2HE2 GLN 22 2HE2 GLN 22 -22.764 -4.205 -10.973 170 H LEU 23 HN LEU 23 -18.035 -3.445 -4.694 171 HA LEU 23 HA LEU 23 -16.858 -6.091 -4.546 172 1HB LEU 23 2HB LEU 23 -16.686 -3.593 -2.880 173 2HB LEU 23 3HB LEU 23 -16.084 -5.129 -2.288 174 HG LEU 23 HG LEU 23 -14.530 -3.381 -3.536 175 1HD1 LEU 23 1HD1 LEU 23 -12.975 -4.984 -3.391 176 2HD1 LEU 23 2HD1 LEU 23 -14.289 -5.986 -2.730 177 3HD1 LEU 23 3HD1 LEU 23 -13.871 -6.093 -4.457 178 1HD2 LEU 23 1HD2 LEU 23 -15.788 -4.951 -5.792 179 2HD2 LEU 23 2HD2 LEU 23 -15.663 -3.185 -5.605 180 3HD2 LEU 23 3HD2 LEU 23 -14.203 -4.152 -5.924 181 H SER 24 HN SER 24 -17.310 -7.565 -2.763 182 HA SER 24 HA SER 24 -19.954 -7.085 -1.631 183 1HB SER 24 2HB SER 24 -18.867 -9.792 -2.519 184 2HB SER 24 3HB SER 24 -20.470 -9.471 -1.887 185 HG SER 24 HG SER 24 -20.113 -9.607 -4.342 186 H LYS 25 HN LYS 25 -20.332 -8.493 0.405 187 HA LYS 25 HA LYS 25 -18.375 -7.972 2.270 188 1HB LYS 25 2HB LYS 25 -20.723 -8.343 2.819 189 2HB LYS 25 3HB LYS 25 -20.610 -10.020 2.325 190 1HG LYS 25 2HG LYS 25 -18.525 -9.908 4.108 191 2HG LYS 25 3HG LYS 25 -19.582 -8.695 4.802 192 1HD LYS 25 2HD LYS 25 -21.139 -11.035 4.009 193 2HD LYS 25 3HD LYS 25 -19.809 -11.524 5.040 194 1HE LYS 25 2HE LYS 25 -20.574 -9.465 6.539 195 2HE LYS 25 3HE LYS 25 -22.084 -9.622 5.664 196 1HZ LYS 25 1HZ LYS 25 -22.532 -11.177 7.152 197 2HZ LYS 25 2HZ LYS 25 -21.497 -12.154 6.352 198 3HZ LYS 25 3HZ LYS 25 -20.986 -11.318 7.658 199 H GLU 26 HN GLU 26 -19.234 -11.222 0.876 200 HA GLU 26 HA GLU 26 -17.128 -12.543 2.007 201 1HB GLU 26 2HB GLU 26 -19.186 -13.081 0.086 202 2HB GLU 26 3HB GLU 26 -17.682 -13.657 -0.606 203 1HG GLU 26 2HG GLU 26 -17.481 -14.518 2.040 204 2HG GLU 26 3HG GLU 26 -19.197 -14.683 1.726 205 H GLU 27 HN GLU 27 -17.310 -10.635 -1.028 206 HA GLU 27 HA GLU 27 -14.859 -11.451 -2.042 207 1HB GLU 27 2HB GLU 27 -16.900 -9.448 -2.636 208 2HB GLU 27 3HB GLU 27 -15.300 -8.783 -2.896 209 1HG GLU 27 2HG GLU 27 -15.327 -11.473 -3.951 210 2HG GLU 27 3HG GLU 27 -16.748 -10.643 -4.554 211 H LEU 28 HN LEU 28 -15.774 -8.463 -0.178 212 HA LEU 28 HA LEU 28 -13.223 -7.412 -0.006 213 1HB LEU 28 2HB LEU 28 -15.618 -6.525 0.632 214 2HB LEU 28 3HB LEU 28 -15.185 -7.104 2.228 215 HG LEU 28 HG LEU 28 -13.510 -5.533 2.514 216 1HD1 LEU 28 1HD1 LEU 28 -13.366 -5.367 -0.498 217 2HD1 LEU 28 2HD1 LEU 28 -12.579 -4.178 0.568 218 3HD1 LEU 28 3HD1 LEU 28 -12.114 -5.894 0.653 219 1HD2 LEU 28 1HD2 LEU 28 -14.424 -3.351 1.877 220 2HD2 LEU 28 2HD2 LEU 28 -15.527 -4.145 0.727 221 3HD2 LEU 28 3HD2 LEU 28 -15.694 -4.447 2.473 222 H LYS 29 HN LYS 29 -14.914 -9.843 2.041 223 HA LYS 29 HA LYS 29 -13.264 -10.022 4.159 224 1HB LYS 29 2HB LYS 29 -15.293 -11.359 3.840 225 2HB LYS 29 3HB LYS 29 -14.501 -12.312 2.602 226 1HG LYS 29 2HG LYS 29 -13.158 -13.454 4.127 227 2HG LYS 29 3HG LYS 29 -13.090 -12.108 5.247 228 1HD LYS 29 2HD LYS 29 -14.568 -13.372 6.466 229 2HD LYS 29 3HD LYS 29 -15.761 -12.669 5.391 230 1HE LYS 29 2HE LYS 29 -16.209 -14.682 4.428 231 2HE LYS 29 3HE LYS 29 -14.511 -14.994 4.128 232 1HZ LYS 29 1HZ LYS 29 -14.492 -15.448 6.651 233 2HZ LYS 29 2HZ LYS 29 -16.097 -15.681 6.463 234 3HZ LYS 29 3HZ LYS 29 -15.036 -16.598 5.627 235 H LEU 30 HN LEU 30 -12.752 -11.712 0.983 236 HA LEU 30 HA LEU 30 -10.331 -12.858 1.626 237 1HB LEU 30 2HB LEU 30 -11.251 -11.833 -1.063 238 2HB LEU 30 3HB LEU 30 -9.976 -13.002 -0.783 239 HG LEU 30 HG LEU 30 -12.949 -13.334 -0.502 240 1HD1 LEU 30 1HD1 LEU 30 -12.472 -15.407 -1.791 241 2HD1 LEU 30 2HD1 LEU 30 -12.004 -13.912 -2.637 242 3HD1 LEU 30 3HD1 LEU 30 -10.761 -14.925 -1.865 243 1HD2 LEU 30 1HD2 LEU 30 -12.208 -14.124 1.622 244 2HD2 LEU 30 2HD2 LEU 30 -12.512 -15.547 0.597 245 3HD2 LEU 30 3HD2 LEU 30 -10.843 -15.003 0.890 246 H LEU 31 HN LEU 31 -10.902 -9.720 -0.124 247 HA LEU 31 HA LEU 31 -8.288 -8.939 -0.294 248 1HB LEU 31 2HB LEU 31 -10.526 -7.924 -1.172 249 2HB LEU 31 3HB LEU 31 -10.467 -6.968 0.296 250 HG LEU 31 HG LEU 31 -7.900 -6.742 -0.853 251 1HD1 LEU 31 1HD1 LEU 31 -8.979 -5.615 -3.081 252 2HD1 LEU 31 2HD1 LEU 31 -8.231 -7.230 -3.020 253 3HD1 LEU 31 3HD1 LEU 31 -9.999 -7.063 -2.901 254 1HD2 LEU 31 1HD2 LEU 31 -8.559 -4.861 0.231 255 2HD2 LEU 31 2HD2 LEU 31 -8.991 -4.369 -1.425 256 3HD2 LEU 31 3HD2 LEU 31 -10.245 -4.989 -0.325 257 H LEU 32 HN LEU 32 -10.614 -7.859 2.289 258 HA LEU 32 HA LEU 32 -8.801 -6.614 3.890 259 1HB LEU 32 2HB LEU 32 -11.159 -8.259 4.815 260 2HB LEU 32 3HB LEU 32 -10.374 -6.964 5.698 261 HG LEU 32 HG LEU 32 -11.679 -6.495 3.014 262 1HD1 LEU 32 1HD1 LEU 32 -13.503 -5.497 4.734 263 2HD1 LEU 32 2HD1 LEU 32 -13.602 -7.121 4.012 264 3HD1 LEU 32 3HD1 LEU 32 -12.950 -6.916 5.656 265 1HD2 LEU 32 1HD2 LEU 32 -10.940 -4.422 3.267 266 2HD2 LEU 32 2HD2 LEU 32 -11.826 -4.280 4.804 267 3HD2 LEU 32 3HD2 LEU 32 -10.152 -4.884 4.794 268 H GLN 33 HN GLN 33 -9.111 -10.033 3.192 269 HA GLN 33 HA GLN 33 -7.883 -10.952 5.535 270 1HB GLN 33 2HB GLN 33 -9.182 -12.123 3.411 271 2HB GLN 33 3HB GLN 33 -7.521 -12.550 3.047 272 1HG GLN 33 2HG GLN 33 -7.309 -13.368 5.473 273 2HG GLN 33 3HG GLN 33 -9.039 -13.141 5.627 274 1HE2 GLN 33 1HE2 GLN 33 -10.453 -14.523 4.686 275 2HE2 GLN 33 2HE2 GLN 33 -10.010 -15.994 3.885 276 H THR 34 HN THR 34 -6.605 -10.666 2.134 277 HA THR 34 HA THR 34 -3.899 -10.871 3.138 278 HB THR 34 HB THR 34 -5.373 -11.092 0.563 279 HG1 THR 34 HG1 THR 34 -4.348 -12.920 1.456 280 1HG2 THR 34 1HG2 THR 34 -2.608 -9.808 0.756 281 2HG2 THR 34 2HG2 THR 34 -3.107 -10.761 -0.662 282 3HG2 THR 34 3HG2 THR 34 -3.990 -9.277 -0.232 283 H GLU 35 HN GLU 35 -5.942 -8.394 1.468 284 HA GLU 35 HA GLU 35 -4.096 -6.457 1.216 285 1HB GLU 35 2HB GLU 35 -6.309 -6.143 0.331 286 2HB GLU 35 3HB GLU 35 -7.051 -6.293 1.911 287 1HG GLU 35 2HG GLU 35 -7.024 -3.938 1.387 288 2HG GLU 35 3HG GLU 35 -5.805 -4.187 2.621 289 H PHE 36 HN PHE 36 -6.313 -6.834 4.084 290 HA PHE 36 HA PHE 36 -4.146 -6.001 5.801 291 1HB PHE 36 2HB PHE 36 -6.783 -4.506 5.320 292 2HB PHE 36 3HB PHE 36 -5.884 -4.288 6.808 293 HD1 PHE 36 HD1 PHE 36 -3.113 -4.179 5.915 294 HD2 PHE 36 HD2 PHE 36 -6.591 -2.542 4.117 295 HE1 PHE 36 HE1 PHE 36 -1.711 -2.416 4.808 296 HE2 PHE 36 HE2 PHE 36 -5.188 -0.779 3.010 297 HZ PHE 36 HZ PHE 36 -2.765 -0.737 3.369 298 HA PRO 37 HA PRO 37 -6.745 -9.099 7.715 299 1HB PRO 37 2HB PRO 37 -4.724 -10.568 8.822 300 2HB PRO 37 3HB PRO 37 -5.391 -10.898 7.235 301 1HG PRO 37 2HG PRO 37 -2.815 -9.628 7.935 302 2HG PRO 37 3HG PRO 37 -3.308 -10.344 6.414 303 1HD PRO 37 2HD PRO 37 -3.151 -7.545 7.023 304 2HD PRO 37 3HD PRO 37 -3.754 -8.264 5.542 305 H SER 38 HN SER 38 -4.278 -7.049 8.953 306 HA SER 38 HA SER 38 -4.789 -7.562 11.643 307 1HB SER 38 2HB SER 38 -3.707 -5.229 11.926 308 2HB SER 38 3HB SER 38 -2.743 -6.476 11.160 309 HG SER 38 HG SER 38 -2.495 -4.926 9.670 310 H LEU 39 HN LEU 39 -6.322 -5.502 9.178 311 HA LEU 39 HA LEU 39 -7.733 -3.850 10.982 312 1HB LEU 39 2HB LEU 39 -7.402 -4.164 8.158 313 2HB LEU 39 3HB LEU 39 -9.116 -4.089 8.514 314 HG LEU 39 HG LEU 39 -7.900 -1.902 7.982 315 1HD1 LEU 39 1HD1 LEU 39 -9.382 -0.641 9.303 316 2HD1 LEU 39 2HD1 LEU 39 -10.195 -2.204 9.050 317 3HD1 LEU 39 3HD1 LEU 39 -9.398 -1.856 10.603 318 1HD2 LEU 39 1HD2 LEU 39 -7.079 -1.937 10.880 319 2HD2 LEU 39 2HD2 LEU 39 -5.990 -2.521 9.599 320 3HD2 LEU 39 3HD2 LEU 39 -6.571 -0.839 9.574 321 H LEU 40 HN LEU 40 -8.096 -7.155 9.894 322 HA LEU 40 HA LEU 40 -10.901 -7.296 10.398 323 1HB LEU 40 2HB LEU 40 -8.765 -9.386 9.970 324 2HB LEU 40 3HB LEU 40 -10.459 -9.765 10.214 325 HG LEU 40 HG LEU 40 -9.506 -7.962 7.981 326 1HD1 LEU 40 1HD1 LEU 40 -10.214 -10.812 7.445 327 2HD1 LEU 40 2HD1 LEU 40 -9.130 -9.710 6.563 328 3HD1 LEU 40 3HD1 LEU 40 -8.596 -10.448 8.092 329 1HD2 LEU 40 1HD2 LEU 40 -11.643 -8.340 6.997 330 2HD2 LEU 40 2HD2 LEU 40 -12.051 -9.584 8.204 331 3HD2 LEU 40 3HD2 LEU 40 -11.911 -7.879 8.696 332 H LYS 41 HN LYS 41 -7.922 -7.544 12.279 333 HA LYS 41 HA LYS 41 -9.060 -8.980 14.438 334 1HB LYS 41 2HB LYS 41 -6.987 -8.848 15.373 335 2HB LYS 41 3HB LYS 41 -6.555 -8.537 13.704 336 1HG LYS 41 2HG LYS 41 -5.503 -6.705 14.622 337 2HG LYS 41 3HG LYS 41 -7.092 -5.986 14.455 338 1HD LYS 41 2HD LYS 41 -7.619 -6.292 16.757 339 2HD LYS 41 3HD LYS 41 -6.392 -7.524 16.975 340 1HE LYS 41 2HE LYS 41 -5.650 -4.660 16.251 341 2HE LYS 41 3HE LYS 41 -5.898 -5.145 17.916 342 1HZ LYS 41 1HZ LYS 41 -3.627 -5.391 17.385 343 2HZ LYS 41 2HZ LYS 41 -4.237 -6.900 17.522 344 3HZ LYS 41 3HZ LYS 41 -3.937 -6.271 16.045 345 H GLY 42 HN GLY 42 -8.975 -5.581 13.422 346 1HA GLY 42 1HA GLY 42 -9.402 -4.169 15.686 347 2HA GLY 42 2HA GLY 42 -10.208 -3.840 14.165 348 H MET 43 HN MET 43 -11.572 -3.177 16.449 349 HA MET 43 HA MET 43 -13.139 -5.316 17.403 350 1HB MET 43 2HB MET 43 -13.543 -2.273 17.498 351 2HB MET 43 3HB MET 43 -14.461 -3.416 18.459 352 1HG MET 43 2HG MET 43 -12.234 -4.244 19.429 353 2HG MET 43 3HG MET 43 -11.452 -2.909 18.607 354 1HE MET 43 1HE MET 43 -14.365 -3.010 22.006 355 2HE MET 43 2HE MET 43 -13.556 -4.306 21.094 356 3HE MET 43 3HE MET 43 -12.678 -3.440 22.377 357 H SER 44 HN SER 44 -13.087 -3.843 14.399 358 HA SER 44 HA SER 44 -15.955 -3.813 14.093 359 1HB SER 44 2HB SER 44 -13.696 -3.108 12.168 360 2HB SER 44 3HB SER 44 -15.397 -2.981 11.770 361 HG SER 44 HG SER 44 -14.304 -1.658 14.087 362 H THR 45 HN THR 45 -16.707 -5.943 14.016 363 HA THR 45 HA THR 45 -15.268 -8.056 12.841 364 HB THR 45 HB THR 45 -17.462 -9.242 13.152 365 HG1 THR 45 HG1 THR 45 -19.270 -7.900 13.603 366 1HG2 THR 45 1HG2 THR 45 -17.771 -8.850 15.550 367 2HG2 THR 45 2HG2 THR 45 -16.028 -8.729 15.208 368 3HG2 THR 45 3HG2 THR 45 -16.996 -7.252 15.432 369 H LEU 46 HN LEU 46 -16.289 -9.447 11.019 370 HA LEU 46 HA LEU 46 -15.953 -8.095 8.659 371 1HB LEU 46 2HB LEU 46 -16.059 -10.638 9.305 372 2HB LEU 46 3HB LEU 46 -17.734 -10.494 8.812 373 HG LEU 46 HG LEU 46 -16.030 -11.315 7.086 374 1HD1 LEU 46 1HD1 LEU 46 -18.410 -9.854 6.855 375 2HD1 LEU 46 2HD1 LEU 46 -17.300 -9.143 5.659 376 3HD1 LEU 46 3HD1 LEU 46 -17.646 -10.889 5.625 377 1HD2 LEU 46 1HD2 LEU 46 -14.670 -9.771 5.932 378 2HD2 LEU 46 2HD2 LEU 46 -15.432 -8.375 6.732 379 3HD2 LEU 46 3HD2 LEU 46 -14.380 -9.470 7.663 380 H ASP 47 HN ASP 47 -19.143 -9.287 9.943 381 HA ASP 47 HA ASP 47 -20.748 -8.123 8.175 382 1HB ASP 47 2HB ASP 47 -21.094 -9.377 10.583 383 2HB ASP 47 3HB ASP 47 -21.565 -7.752 11.037 384 H GLU 48 HN GLU 48 -19.473 -6.625 11.242 385 HA GLU 48 HA GLU 48 -20.701 -4.199 10.994 386 1HB GLU 48 2HB GLU 48 -18.552 -5.372 12.561 387 2HB GLU 48 3HB GLU 48 -18.126 -3.729 12.128 388 1HG GLU 48 2HG GLU 48 -20.689 -3.269 12.851 389 2HG GLU 48 3HG GLU 48 -20.427 -4.719 13.800 390 H LEU 49 HN LEU 49 -17.522 -5.316 9.678 391 HA LEU 49 HA LEU 49 -16.768 -2.847 8.609 392 1HB LEU 49 2HB LEU 49 -15.632 -5.304 8.924 393 2HB LEU 49 3HB LEU 49 -15.901 -5.280 7.192 394 HG LEU 49 HG LEU 49 -14.766 -2.863 7.438 395 1HD1 LEU 49 1HD1 LEU 49 -14.595 -3.456 10.001 396 2HD1 LEU 49 2HD1 LEU 49 -13.135 -4.328 9.474 397 3HD1 LEU 49 3HD1 LEU 49 -13.289 -2.581 9.166 398 1HD2 LEU 49 1HD2 LEU 49 -13.479 -3.937 5.984 399 2HD2 LEU 49 2HD2 LEU 49 -12.544 -4.573 7.358 400 3HD2 LEU 49 3HD2 LEU 49 -13.898 -5.516 6.691 401 H PHE 50 HN PHE 50 -18.684 -5.598 7.279 402 HA PHE 50 HA PHE 50 -18.880 -4.649 4.684 403 1HB PHE 50 2HB PHE 50 -19.554 -6.916 5.699 404 2HB PHE 50 3HB PHE 50 -20.939 -6.129 6.430 405 HD1 PHE 50 HD1 PHE 50 -22.715 -7.232 5.367 406 HD2 PHE 50 HD2 PHE 50 -19.609 -5.552 3.013 407 HE1 PHE 50 HE1 PHE 50 -24.056 -7.663 3.289 408 HE2 PHE 50 HE2 PHE 50 -20.950 -5.982 0.936 409 HZ PHE 50 HZ PHE 50 -23.158 -7.033 1.098 410 H GLU 51 HN GLU 51 -21.107 -4.167 7.514 411 HA GLU 51 HA GLU 51 -22.884 -2.579 6.071 412 1HB GLU 51 2HB GLU 51 -22.608 -3.596 8.752 413 2HB GLU 51 3HB GLU 51 -22.946 -1.880 8.865 414 1HG GLU 51 2HG GLU 51 -24.832 -2.333 7.107 415 2HG GLU 51 3HG GLU 51 -24.609 -4.027 7.496 416 H GLU 52 HN GLU 52 -20.111 -1.799 8.264 417 HA GLU 52 HA GLU 52 -20.467 0.935 8.224 418 1HB GLU 52 2HB GLU 52 -18.878 -0.627 9.637 419 2HB GLU 52 3HB GLU 52 -17.720 -0.333 8.355 420 1HG GLU 52 2HG GLU 52 -18.149 2.180 8.688 421 2HG GLU 52 3HG GLU 52 -19.072 1.759 10.117 422 H LEU 53 HN LEU 53 -18.201 -1.116 6.244 423 HA LEU 53 HA LEU 53 -17.174 0.884 4.680 424 1HB LEU 53 2HB LEU 53 -17.783 -1.978 3.925 425 2HB LEU 53 3HB LEU 53 -16.721 -0.901 3.041 426 HG LEU 53 HG LEU 53 -16.162 -1.400 5.943 427 1HD1 LEU 53 1HD1 LEU 53 -14.713 -3.278 4.300 428 2HD1 LEU 53 2HD1 LEU 53 -15.708 -3.563 5.748 429 3HD1 LEU 53 3HD1 LEU 53 -16.467 -3.533 4.138 430 1HD2 LEU 53 1HD2 LEU 53 -14.168 -0.489 5.502 431 2HD2 LEU 53 2HD2 LEU 53 -13.974 -1.402 3.986 432 3HD2 LEU 53 3HD2 LEU 53 -14.930 0.100 4.005 433 H ASP 54 HN ASP 54 -20.114 -1.150 4.046 434 HA ASP 54 HA ASP 54 -20.739 0.244 1.707 435 1HB ASP 54 2HB ASP 54 -21.547 -2.090 2.599 436 2HB ASP 54 3HB ASP 54 -22.760 -1.180 3.476 437 H LYS 55 HN LYS 55 -20.341 2.459 2.950 438 HA LYS 55 HA LYS 55 -22.538 3.261 4.638 439 1HB LYS 55 2HB LYS 55 -19.937 3.895 4.690 440 2HB LYS 55 3HB LYS 55 -20.489 5.196 3.655 441 1HG LYS 55 2HG LYS 55 -22.162 5.886 5.334 442 2HG LYS 55 3HG LYS 55 -21.760 4.513 6.347 443 1HD LYS 55 2HD LYS 55 -20.244 5.856 7.377 444 2HD LYS 55 3HD LYS 55 -19.269 5.724 5.927 445 1HE LYS 55 2HE LYS 55 -21.259 7.692 5.351 446 2HE LYS 55 3HE LYS 55 -20.689 8.048 6.969 447 1HZ LYS 55 1HZ LYS 55 -18.719 8.650 6.185 448 2HZ LYS 55 2HZ LYS 55 -18.596 7.394 5.148 449 3HZ LYS 55 3HZ LYS 55 -19.428 8.731 4.716 450 H ASN 56 HN ASN 56 -22.266 2.720 1.398 451 HA ASN 56 HA ASN 56 -23.523 5.167 0.573 452 1HB ASN 56 2HB ASN 56 -21.825 3.983 -0.878 453 2HB ASN 56 3HB ASN 56 -22.906 2.610 -0.999 454 1HD2 ASN 56 1HD2 ASN 56 -22.939 6.152 -1.376 455 2HD2 ASN 56 2HD2 ASN 56 -23.900 6.211 -2.816 456 H GLY 57 HN GLY 57 -24.510 2.482 2.230 457 1HA GLY 57 1HA GLY 57 -26.376 1.185 2.324 458 2HA GLY 57 2HA GLY 57 -27.160 2.745 2.170 459 H ASP 58 HN ASP 58 -25.259 0.774 -0.220 460 HA ASP 58 HA ASP 58 -27.567 1.019 -1.974 461 1HB ASP 58 2HB ASP 58 -25.751 0.283 -3.727 462 2HB ASP 58 3HB ASP 58 -25.750 1.935 -3.141 463 H GLY 59 HN GLY 59 -25.091 -1.171 -0.548 464 1HA GLY 59 1HA GLY 59 -25.927 -3.374 0.101 465 2HA GLY 59 2HA GLY 59 -26.681 -3.490 -1.477 466 H GLU 60 HN GLU 60 -23.952 -1.828 -2.227 467 HA GLU 60 HA GLU 60 -22.264 -4.192 -2.279 468 1HB GLU 60 2HB GLU 60 -21.684 -3.763 -4.652 469 2HB GLU 60 3HB GLU 60 -23.389 -4.121 -4.463 470 1HG GLU 60 2HG GLU 60 -23.472 -1.403 -4.183 471 2HG GLU 60 3HG GLU 60 -22.060 -1.541 -5.213 472 H VAL 61 HN VAL 61 -19.973 -3.732 -2.340 473 HA VAL 61 HA VAL 61 -19.397 -1.014 -1.449 474 HB VAL 61 HB VAL 61 -17.870 -3.616 -1.278 475 1HG1 VAL 61 1HG1 VAL 61 -17.103 -0.828 -0.364 476 2HG1 VAL 61 2HG1 VAL 61 -16.317 -2.314 0.221 477 3HG1 VAL 61 3HG1 VAL 61 -16.233 -1.882 -1.504 478 1HG2 VAL 61 1HG2 VAL 61 -18.660 -2.102 1.151 479 2HG2 VAL 61 2HG2 VAL 61 -19.984 -2.857 0.232 480 3HG2 VAL 61 3HG2 VAL 61 -18.643 -3.855 0.842 481 H SER 62 HN SER 62 -17.133 -0.181 -2.183 482 HA SER 62 HA SER 62 -16.166 -1.114 -4.637 483 1HB SER 62 2HB SER 62 -17.079 1.592 -5.251 484 2HB SER 62 3HB SER 62 -17.261 0.123 -6.188 485 HG SER 62 HG SER 62 -19.085 1.400 -4.510 486 H PHE 63 HN PHE 63 -14.515 0.622 -5.564 487 HA PHE 63 HA PHE 63 -12.679 1.201 -3.652 488 1HB PHE 63 2HB PHE 63 -12.531 1.243 -6.228 489 2HB PHE 63 3HB PHE 63 -13.334 2.800 -6.199 490 HD1 PHE 63 HD1 PHE 63 -10.600 1.450 -4.048 491 HD2 PHE 63 HD2 PHE 63 -11.780 4.364 -6.898 492 HE1 PHE 63 HE1 PHE 63 -8.378 2.591 -3.800 493 HE2 PHE 63 HE2 PHE 63 -9.558 5.506 -6.650 494 HZ PHE 63 HZ PHE 63 -7.884 4.606 -5.104 495 H GLU 64 HN GLU 64 -15.471 3.179 -4.720 496 HA GLU 64 HA GLU 64 -14.693 5.569 -3.629 497 1HB GLU 64 2HB GLU 64 -17.313 5.853 -3.388 498 2HB GLU 64 3HB GLU 64 -16.583 5.734 -4.976 499 1HG GLU 64 2HG GLU 64 -17.663 3.785 -5.426 500 2HG GLU 64 3HG GLU 64 -17.136 3.064 -3.917 501 H GLU 65 HN GLU 65 -16.725 2.941 -2.147 502 HA GLU 65 HA GLU 65 -16.789 4.266 0.341 503 1HB GLU 65 2HB GLU 65 -17.469 1.401 -0.451 504 2HB GLU 65 3HB GLU 65 -17.783 2.075 1.135 505 1HG GLU 65 2HG GLU 65 -18.817 3.936 -0.804 506 2HG GLU 65 3HG GLU 65 -19.360 2.338 -1.276 507 H PHE 66 HN PHE 66 -14.636 1.947 -1.248 508 HA PHE 66 HA PHE 66 -13.437 0.830 0.988 509 1HB PHE 66 2HB PHE 66 -13.259 0.336 -1.582 510 2HB PHE 66 3HB PHE 66 -12.116 1.663 -1.659 511 HD1 PHE 66 HD1 PHE 66 -9.990 0.838 -1.967 512 HD2 PHE 66 HD2 PHE 66 -12.560 -1.155 0.759 513 HE1 PHE 66 HE1 PHE 66 -8.128 -0.730 -1.358 514 HE2 PHE 66 HE2 PHE 66 -10.698 -2.724 1.368 515 HZ PHE 66 HZ PHE 66 -8.504 -2.493 0.302 516 H GLN 67 HN GLN 67 -12.870 3.944 -0.710 517 HA GLN 67 HA GLN 67 -10.451 4.554 0.427 518 1HB GLN 67 2HB GLN 67 -12.731 6.411 -0.382 519 2HB GLN 67 3HB GLN 67 -11.095 6.944 -0.051 520 1HG GLN 67 2HG GLN 67 -10.818 4.780 -1.876 521 2HG GLN 67 3HG GLN 67 -12.176 5.713 -2.473 522 1HE2 GLN 67 1HE2 GLN 67 -10.225 5.738 -4.120 523 2HE2 GLN 67 2HE2 GLN 67 -9.271 7.183 -4.097 524 H VAL 68 HN VAL 68 -13.550 4.206 1.914 525 HA VAL 68 HA VAL 68 -13.135 6.093 4.015 526 HB VAL 68 HB VAL 68 -15.036 3.751 3.795 527 1HG1 VAL 68 1HG1 VAL 68 -15.994 4.397 5.725 528 2HG1 VAL 68 2HG1 VAL 68 -14.464 5.254 6.026 529 3HG1 VAL 68 3HG1 VAL 68 -15.850 6.127 5.330 530 1HG2 VAL 68 1HG2 VAL 68 -16.142 4.896 2.236 531 2HG2 VAL 68 2HG2 VAL 68 -16.344 6.246 3.378 532 3HG2 VAL 68 3HG2 VAL 68 -14.927 6.195 2.303 533 H LEU 69 HN LEU 69 -12.475 2.630 3.420 534 HA LEU 69 HA LEU 69 -11.760 2.146 6.149 535 1HB LEU 69 2HB LEU 69 -12.693 0.544 4.303 536 2HB LEU 69 3HB LEU 69 -11.008 0.383 3.847 537 HG LEU 69 HG LEU 69 -10.428 -0.491 6.025 538 1HD1 LEU 69 1HD1 LEU 69 -11.566 0.220 7.799 539 2HD1 LEU 69 2HD1 LEU 69 -12.965 0.698 6.808 540 3HD1 LEU 69 3HD1 LEU 69 -12.808 -0.982 7.373 541 1HD2 LEU 69 1HD2 LEU 69 -11.786 -1.845 4.135 542 2HD2 LEU 69 2HD2 LEU 69 -11.172 -2.587 5.632 543 3HD2 LEU 69 3HD2 LEU 69 -12.876 -2.085 5.521 544 H VAL 70 HN VAL 70 -10.167 3.182 3.148 545 HA VAL 70 HA VAL 70 -7.560 2.570 3.697 546 HB VAL 70 HB VAL 70 -8.972 4.746 2.221 547 1HG1 VAL 70 1HG1 VAL 70 -7.269 6.169 2.705 548 2HG1 VAL 70 2HG1 VAL 70 -6.151 4.857 3.149 549 3HG1 VAL 70 3HG1 VAL 70 -6.436 5.240 1.435 550 1HG2 VAL 70 1HG2 VAL 70 -8.657 2.421 1.316 551 2HG2 VAL 70 2HG2 VAL 70 -7.987 3.713 0.291 552 3HG2 VAL 70 3HG2 VAL 70 -6.904 2.726 1.302 553 H LYS 71 HN LYS 71 -9.693 4.948 5.227 554 HA LYS 71 HA LYS 71 -7.598 6.447 6.422 555 1HB LYS 71 2HB LYS 71 -10.293 6.805 6.016 556 2HB LYS 71 3HB LYS 71 -10.239 6.462 7.733 557 1HG LYS 71 2HG LYS 71 -8.049 8.220 7.227 558 2HG LYS 71 3HG LYS 71 -9.399 8.871 6.319 559 1HD LYS 71 2HD LYS 71 -9.675 9.872 8.439 560 2HD LYS 71 3HD LYS 71 -10.791 8.523 8.507 561 1HE LYS 71 2HE LYS 71 -8.395 7.378 9.390 562 2HE LYS 71 3HE LYS 71 -8.318 8.994 10.063 563 1HZ LYS 71 1HZ LYS 71 -10.206 6.882 10.615 564 2HZ LYS 71 2HZ LYS 71 -9.554 7.986 11.626 565 3HZ LYS 71 3HZ LYS 71 -10.791 8.406 10.645 566 H LYS 72 HN LYS 72 -9.733 3.728 7.472 567 HA LYS 72 HA LYS 72 -8.499 3.635 10.050 568 1HB LYS 72 2HB LYS 72 -10.458 1.822 8.618 569 2HB LYS 72 3HB LYS 72 -9.880 1.525 10.245 570 1HG LYS 72 2HG LYS 72 -11.218 4.131 9.383 571 2HG LYS 72 3HG LYS 72 -12.086 2.794 10.109 572 1HD LYS 72 2HD LYS 72 -10.099 3.038 11.949 573 2HD LYS 72 3HD LYS 72 -10.118 4.688 11.361 574 1HE LYS 72 2HE LYS 72 -12.845 3.673 11.812 575 2HE LYS 72 3HE LYS 72 -11.872 3.567 13.265 576 1HZ LYS 72 1HZ LYS 72 -12.737 5.900 11.825 577 2HZ LYS 72 2HZ LYS 72 -12.489 5.695 13.426 578 3HZ LYS 72 3HZ LYS 72 -11.223 5.975 12.433 579 H ILE 73 HN ILE 73 -7.539 2.739 6.917 580 HA ILE 73 HA ILE 73 -6.217 0.306 7.604 581 HB ILE 73 HB ILE 73 -6.378 2.105 5.229 582 1HG1 ILE 73 2HG1 ILE 73 -6.716 -0.894 5.476 583 2HG1 ILE 73 3HG1 ILE 73 -8.019 0.244 5.752 584 1HG2 ILE 73 1HG2 ILE 73 -4.678 0.856 4.041 585 2HG2 ILE 73 2HG2 ILE 73 -3.970 1.623 5.483 586 3HG2 ILE 73 3HG2 ILE 73 -4.336 -0.119 5.490 587 1HD1 ILE 73 1HD1 ILE 73 -8.265 0.710 3.523 588 2HD1 ILE 73 2HD1 ILE 73 -6.508 0.714 3.233 589 3HD1 ILE 73 3HD1 ILE 73 -7.397 -0.827 3.298 590 H SER 74 HN SER 74 -5.154 3.719 6.972 591 HA SER 74 HA SER 74 -2.506 3.111 7.722 592 1HB SER 74 2HB SER 74 -3.747 5.165 6.348 593 2HB SER 74 3HB SER 74 -3.381 5.948 7.873 594 HG SER 74 HG SER 74 -1.133 5.198 7.603 595 H GLN 75 HN GLN 75 -5.408 4.488 9.325 596 HA GLN 75 HA GLN 75 -4.029 5.308 11.628 597 1HB GLN 75 2HB GLN 75 -6.503 5.806 10.614 598 2HB GLN 75 3HB GLN 75 -6.934 4.596 11.806 599 1HG GLN 75 2HG GLN 75 -7.028 6.906 12.749 600 2HG GLN 75 3HG GLN 75 -5.874 5.899 13.601 601 1HE2 GLN 75 1HE2 GLN 75 -5.887 7.802 10.584 602 2HE2 GLN 75 2HE2 GLN 75 -4.433 8.696 10.883 Start of MODEL 3 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 3.035 -0.475 -1.049 3 1HB LYS 1 2HB LYS 1 0.280 -0.788 -2.149 4 2HB LYS 1 3HB LYS 1 1.562 -0.445 -3.293 5 1HG LYS 1 2HG LYS 1 2.889 -2.364 -2.376 6 2HG LYS 1 3HG LYS 1 1.600 -2.709 -1.241 7 1HD LYS 1 2HD LYS 1 0.027 -2.977 -3.243 8 2HD LYS 1 3HD LYS 1 1.430 -2.842 -4.285 9 1HE LYS 1 2HE LYS 1 1.093 -5.197 -3.980 10 2HE LYS 1 3HE LYS 1 2.466 -4.793 -2.968 11 1HZ LYS 1 1HZ LYS 1 0.286 -6.053 -2.117 12 2HZ LYS 1 2HZ LYS 1 1.308 -5.235 -1.140 13 3HZ LYS 1 3HZ LYS 1 -0.064 -4.523 -1.666 14 H SER 2 HN SER 2 0.346 1.926 -1.395 15 HA SER 2 HA SER 2 1.714 3.613 -3.087 16 1HB SER 2 2HB SER 2 -0.754 3.607 -1.602 17 2HB SER 2 3HB SER 2 0.020 5.157 -1.338 18 HG SER 2 HG SER 2 -1.016 4.030 -3.727 19 HA PRO 3 HA PRO 3 4.308 5.946 -0.467 20 1HB PRO 3 2HB PRO 3 3.867 8.578 -1.057 21 2HB PRO 3 3HB PRO 3 4.820 7.515 -2.073 22 1HG PRO 3 2HG PRO 3 2.074 8.522 -2.504 23 2HG PRO 3 3HG PRO 3 3.184 7.828 -3.669 24 1HD PRO 3 2HD PRO 3 0.924 6.533 -2.471 25 2HD PRO 3 3HD PRO 3 2.101 5.805 -3.545 26 H GLU 4 HN GLU 4 1.017 7.101 -0.291 27 HA GLU 4 HA GLU 4 1.232 8.569 1.986 28 1HB GLU 4 2HB GLU 4 -0.831 7.641 0.345 29 2HB GLU 4 3HB GLU 4 -1.218 6.925 1.897 30 1HG GLU 4 2HG GLU 4 -0.373 9.782 2.028 31 2HG GLU 4 3HG GLU 4 -1.869 9.506 1.158 32 H GLU 5 HN GLU 5 0.711 5.004 1.633 33 HA GLU 5 HA GLU 5 0.503 4.569 4.388 34 1HB GLU 5 2HB GLU 5 0.638 2.954 1.918 35 2HB GLU 5 3HB GLU 5 1.384 2.158 3.290 36 1HG GLU 5 2HG GLU 5 -0.988 3.257 4.353 37 2HG GLU 5 3HG GLU 5 -1.463 2.687 2.765 38 H LEU 6 HN LEU 6 3.218 4.860 2.119 39 HA LEU 6 HA LEU 6 5.155 3.583 3.691 40 1HB LEU 6 2HB LEU 6 5.147 5.506 1.407 41 2HB LEU 6 3HB LEU 6 6.643 5.256 2.284 42 HG LEU 6 HG LEU 6 5.053 2.956 1.137 43 1HD1 LEU 6 1HD1 LEU 6 5.749 3.341 -0.941 44 2HD1 LEU 6 2HD1 LEU 6 6.184 4.979 -0.398 45 3HD1 LEU 6 3HD1 LEU 6 7.410 3.689 -0.404 46 1HD2 LEU 6 1HD2 LEU 6 7.990 3.177 1.847 47 2HD2 LEU 6 2HD2 LEU 6 6.738 2.464 2.892 48 3HD2 LEU 6 3HD2 LEU 6 7.114 1.721 1.319 49 H LYS 7 HN LYS 7 3.896 6.951 3.577 50 HA LYS 7 HA LYS 7 5.813 8.017 5.323 51 1HB LYS 7 2HB LYS 7 3.823 9.018 3.741 52 2HB LYS 7 3HB LYS 7 3.112 9.220 5.330 53 1HG LYS 7 2HG LYS 7 4.350 11.133 5.447 54 2HG LYS 7 3HG LYS 7 5.703 10.074 5.797 55 1HD LYS 7 2HD LYS 7 6.475 11.412 3.989 56 2HD LYS 7 3HD LYS 7 6.037 9.893 3.233 57 1HE LYS 7 2HE LYS 7 3.707 11.655 3.363 58 2HE LYS 7 3HE LYS 7 5.045 12.484 2.593 59 1HZ LYS 7 1HZ LYS 7 3.960 9.864 1.826 60 2HZ LYS 7 2HZ LYS 7 3.837 11.257 0.982 61 3HZ LYS 7 3HZ LYS 7 5.291 10.534 1.156 62 H GLY 8 HN GLY 8 2.435 6.812 5.897 63 1HA GLY 8 1HA GLY 8 2.383 7.195 8.647 64 2HA GLY 8 2HA GLY 8 1.455 6.009 7.751 65 H ILE 9 HN ILE 9 3.156 4.147 6.804 66 HA ILE 9 HA ILE 9 3.797 2.625 9.010 67 HB ILE 9 HB ILE 9 4.579 2.539 6.115 68 1HG1 ILE 9 2HG1 ILE 9 2.806 0.814 7.869 69 2HG1 ILE 9 3HG1 ILE 9 2.272 1.987 6.681 70 1HG2 ILE 9 1HG2 ILE 9 6.476 1.651 7.468 71 2HG2 ILE 9 2HG2 ILE 9 5.361 0.451 8.164 72 3HG2 ILE 9 3HG2 ILE 9 5.701 0.441 6.417 73 1HD1 ILE 9 1HD1 ILE 9 3.339 0.691 4.865 74 2HD1 ILE 9 2HD1 ILE 9 3.967 -0.475 6.053 75 3HD1 ILE 9 3HD1 ILE 9 2.213 -0.338 5.782 76 H PHE 10 HN PHE 10 5.919 4.714 6.950 77 HA PHE 10 HA PHE 10 8.317 4.135 8.113 78 1HB PHE 10 2HB PHE 10 8.115 5.595 6.166 79 2HB PHE 10 3HB PHE 10 7.000 6.663 6.995 80 HD1 PHE 10 HD1 PHE 10 10.462 5.923 6.309 81 HD2 PHE 10 HD2 PHE 10 7.863 8.182 8.789 82 HE1 PHE 10 HE1 PHE 10 12.371 7.425 6.943 83 HE2 PHE 10 HE2 PHE 10 9.772 9.683 9.423 84 HZ PHE 10 HZ PHE 10 12.003 9.287 8.492 85 H GLU 11 HN GLU 11 5.999 6.766 9.084 86 HA GLU 11 HA GLU 11 7.525 7.605 11.233 87 1HB GLU 11 2HB GLU 11 5.115 8.353 9.996 88 2HB GLU 11 3HB GLU 11 4.630 7.936 11.627 89 1HG GLU 11 2HG GLU 11 7.033 9.418 11.935 90 2HG GLU 11 3HG GLU 11 6.138 10.263 10.689 91 H LYS 12 HN LYS 12 5.009 5.069 10.901 92 HA LYS 12 HA LYS 12 4.576 4.597 13.602 93 1HB LYS 12 2HB LYS 12 3.162 3.747 11.776 94 2HB LYS 12 3HB LYS 12 4.447 2.674 11.261 95 1HG LYS 12 2HG LYS 12 4.220 2.120 14.002 96 2HG LYS 12 3HG LYS 12 2.559 2.390 13.514 97 1HD LYS 12 2HD LYS 12 2.519 0.548 12.091 98 2HD LYS 12 3HD LYS 12 4.221 0.679 11.691 99 1HE LYS 12 2HE LYS 12 4.443 0.076 14.345 100 2HE LYS 12 3HE LYS 12 2.913 -0.709 14.008 101 1HZ LYS 12 1HZ LYS 12 4.456 -1.414 11.919 102 2HZ LYS 12 2HZ LYS 12 5.520 -1.433 13.157 103 3HZ LYS 12 3HZ LYS 12 4.164 -2.340 13.232 104 H TYR 13 HN TYR 13 7.302 3.848 11.493 105 HA TYR 13 HA TYR 13 8.393 2.005 13.473 106 1HB TYR 13 2HB TYR 13 8.786 2.844 10.590 107 2HB TYR 13 3HB TYR 13 10.236 2.317 11.423 108 HD1 TYR 13 HD1 TYR 13 6.760 1.236 10.578 109 HD2 TYR 13 HD2 TYR 13 10.723 0.024 11.642 110 HE1 TYR 13 HE1 TYR 13 6.148 -1.189 10.122 111 HE2 TYR 13 HE2 TYR 13 10.097 -2.397 11.183 112 HH TYR 13 HH TYR 13 7.221 -3.538 11.146 113 H ALA 14 HN ALA 14 9.083 5.167 11.862 114 HA ALA 14 HA ALA 14 11.549 5.605 13.080 115 1HB ALA 14 1HB ALA 14 10.240 6.813 11.129 116 2HB ALA 14 2HB ALA 14 9.638 7.847 12.446 117 3HB ALA 14 3HB ALA 14 11.387 7.727 12.137 118 H ALA 15 HN ALA 15 8.264 5.693 14.315 119 HA ALA 15 HA ALA 15 8.982 7.354 16.567 120 1HB ALA 15 1HB ALA 15 6.741 7.406 15.397 121 2HB ALA 15 2HB ALA 15 6.435 5.775 16.042 122 3HB ALA 15 3HB ALA 15 6.650 7.147 17.155 123 H LYS 16 HN LYS 16 9.008 3.987 15.626 124 HA LYS 16 HA LYS 16 8.580 2.742 18.050 125 1HB LYS 16 2HB LYS 16 9.282 1.993 15.474 126 2HB LYS 16 3HB LYS 16 10.682 1.517 16.413 127 1HG LYS 16 2HG LYS 16 9.011 0.445 18.084 128 2HG LYS 16 3HG LYS 16 7.785 0.685 16.855 129 1HD LYS 16 2HD LYS 16 8.698 -0.908 15.418 130 2HD LYS 16 3HD LYS 16 10.338 -0.631 15.970 131 1HE LYS 16 2HE LYS 16 9.789 -2.774 16.850 132 2HE LYS 16 3HE LYS 16 9.605 -1.697 18.219 133 1HZ LYS 16 1HZ LYS 16 7.184 -1.622 17.085 134 2HZ LYS 16 2HZ LYS 16 7.617 -3.174 16.815 135 3HZ LYS 16 3HZ LYS 16 7.594 -2.586 18.338 136 H GLU 17 HN GLU 17 11.821 3.531 16.594 137 HA GLU 17 HA GLU 17 12.731 3.878 19.345 138 1HB GLU 17 2HB GLU 17 14.128 2.586 16.975 139 2HB GLU 17 3HB GLU 17 15.025 3.157 18.368 140 1HG GLU 17 2HG GLU 17 12.901 1.691 19.499 141 2HG GLU 17 3HG GLU 17 13.347 0.752 18.088 142 H GLY 18 HN GLY 18 13.706 5.826 19.821 143 1HA GLY 18 1HA GLY 18 14.622 7.861 19.527 144 2HA GLY 18 2HA GLY 18 15.153 7.359 17.934 145 H ASP 19 HN ASP 19 14.481 9.886 17.864 146 HA ASP 19 HA ASP 19 11.822 10.553 17.790 147 1HB ASP 19 2HB ASP 19 14.038 11.987 17.618 148 2HB ASP 19 3HB ASP 19 13.856 11.764 15.889 149 HA PRO 20 HA PRO 20 10.645 8.674 13.990 150 1HB PRO 20 2HB PRO 20 8.199 9.842 13.643 151 2HB PRO 20 3HB PRO 20 8.461 8.458 14.685 152 1HG PRO 20 2HG PRO 20 8.022 11.284 15.434 153 2HG PRO 20 3HG PRO 20 7.862 9.848 16.426 154 1HD PRO 20 2HD PRO 20 10.028 11.727 16.463 155 2HD PRO 20 3HD PRO 20 9.922 10.231 17.370 156 H ASN 21 HN ASN 21 11.560 11.808 14.346 157 HA ASN 21 HA ASN 21 10.912 12.521 11.643 158 1HB ASN 21 2HB ASN 21 12.437 13.955 13.877 159 2HB ASN 21 3HB ASN 21 12.209 14.653 12.286 160 1HD2 ASN 21 1HD2 ASN 21 10.024 14.932 11.494 161 2HD2 ASN 21 2HD2 ASN 21 8.736 15.287 12.597 162 H GLN 22 HN GLN 22 13.121 10.496 13.028 163 HA GLN 22 HA GLN 22 14.972 10.889 10.881 164 1HB GLN 22 2HB GLN 22 16.872 10.627 12.776 165 2HB GLN 22 3HB GLN 22 16.319 12.192 12.213 166 1HG GLN 22 2HG GLN 22 14.613 12.206 14.093 167 2HG GLN 22 3HG GLN 22 15.308 10.710 14.686 168 1HE2 GLN 22 1HE2 GLN 22 15.969 11.557 16.612 169 2HE2 GLN 22 2HE2 GLN 22 17.284 12.672 16.785 170 H LEU 23 HN LEU 23 15.541 8.897 10.092 171 HA LEU 23 HA LEU 23 14.724 6.596 11.643 172 1HB LEU 23 2HB LEU 23 15.385 7.181 8.806 173 2HB LEU 23 3HB LEU 23 15.682 5.551 9.374 174 HG LEU 23 HG LEU 23 13.356 6.344 8.306 175 1HD1 LEU 23 1HD1 LEU 23 12.689 4.450 10.364 176 2HD1 LEU 23 2HD1 LEU 23 12.925 4.192 8.618 177 3HD1 LEU 23 3HD1 LEU 23 14.314 4.103 9.727 178 1HD2 LEU 23 1HD2 LEU 23 13.125 7.955 10.321 179 2HD2 LEU 23 2HD2 LEU 23 11.714 7.000 9.808 180 3HD2 LEU 23 3HD2 LEU 23 12.661 6.496 11.228 181 H SER 24 HN SER 24 16.141 4.820 12.166 182 HA SER 24 HA SER 24 18.939 5.647 12.205 183 1HB SER 24 2HB SER 24 17.343 4.192 14.356 184 2HB SER 24 3HB SER 24 19.091 4.312 14.376 185 HG SER 24 HG SER 24 19.001 6.456 14.834 186 H LYS 25 HN LYS 25 20.467 3.673 12.458 187 HA LYS 25 HA LYS 25 20.040 1.910 10.381 188 1HB LYS 25 2HB LYS 25 22.239 2.482 11.312 189 2HB LYS 25 3HB LYS 25 21.857 1.628 12.793 190 1HG LYS 25 2HG LYS 25 21.383 -0.429 11.212 191 2HG LYS 25 3HG LYS 25 22.290 0.477 10.017 192 1HD LYS 25 2HD LYS 25 23.625 0.408 12.659 193 2HD LYS 25 3HD LYS 25 23.383 -1.189 11.980 194 1HE LYS 25 2HE LYS 25 24.954 -0.860 10.354 195 2HE LYS 25 3HE LYS 25 24.332 0.728 9.950 196 1HZ LYS 25 1HZ LYS 25 26.619 0.538 11.009 197 2HZ LYS 25 2HZ LYS 25 25.620 1.706 11.560 198 3HZ LYS 25 3HZ LYS 25 25.829 0.335 12.424 199 H GLU 26 HN GLU 26 19.877 1.188 13.944 200 HA GLU 26 HA GLU 26 18.911 -1.349 13.648 201 1HB GLU 26 2HB GLU 26 19.348 0.520 15.777 202 2HB GLU 26 3HB GLU 26 17.737 -0.133 15.998 203 1HG GLU 26 2HG GLU 26 19.203 -2.408 15.329 204 2HG GLU 26 3HG GLU 26 20.369 -1.479 16.250 205 H GLU 27 HN GLU 27 17.186 1.799 13.668 206 HA GLU 27 HA GLU 27 14.630 0.739 13.880 207 1HB GLU 27 2HB GLU 27 15.875 3.330 13.329 208 2HB GLU 27 3HB GLU 27 14.437 3.113 12.352 209 1HG GLU 27 2HG GLU 27 13.811 2.144 14.984 210 2HG GLU 27 3HG GLU 27 14.625 3.682 15.188 211 H LEU 28 HN LEU 28 16.489 1.863 10.959 212 HA LEU 28 HA LEU 28 14.617 1.205 9.066 213 1HB LEU 28 2HB LEU 28 16.997 2.359 9.008 214 2HB LEU 28 3HB LEU 28 17.515 0.761 8.510 215 HG LEU 28 HG LEU 28 16.275 0.829 6.519 216 1HD1 LEU 28 1HD1 LEU 28 14.685 2.831 6.087 217 2HD1 LEU 28 2HD1 LEU 28 14.123 1.475 7.094 218 3HD1 LEU 28 3HD1 LEU 28 14.666 2.987 7.860 219 1HD2 LEU 28 1HD2 LEU 28 18.277 2.360 6.642 220 2HD2 LEU 28 2HD2 LEU 28 17.097 2.730 5.363 221 3HD2 LEU 28 3HD2 LEU 28 17.135 3.709 6.849 222 H LYS 29 HN LYS 29 17.205 -0.870 10.516 223 HA LYS 29 HA LYS 29 16.984 -3.105 9.058 224 1HB LYS 29 2HB LYS 29 18.521 -2.832 10.932 225 2HB LYS 29 3HB LYS 29 17.196 -2.899 12.076 226 1HG LYS 29 2HG LYS 29 16.670 -5.212 11.415 227 2HG LYS 29 3HG LYS 29 17.856 -5.156 10.126 228 1HD LYS 29 2HD LYS 29 19.641 -4.715 11.907 229 2HD LYS 29 3HD LYS 29 18.416 -5.012 13.124 230 1HE LYS 29 2HE LYS 29 18.101 -7.230 11.490 231 2HE LYS 29 3HE LYS 29 19.824 -6.942 11.346 232 1HZ LYS 29 1HZ LYS 29 18.509 -8.103 13.451 233 2HZ LYS 29 2HZ LYS 29 20.096 -7.727 13.369 234 3HZ LYS 29 3HZ LYS 29 19.038 -6.666 14.017 235 H LEU 30 HN LEU 30 14.818 -2.272 11.855 236 HA LEU 30 HA LEU 30 13.172 -4.471 11.638 237 1HB LEU 30 2HB LEU 30 12.477 -1.665 12.520 238 2HB LEU 30 3HB LEU 30 11.529 -3.103 12.846 239 HG LEU 30 HG LEU 30 14.182 -2.281 13.997 240 1HD1 LEU 30 1HD1 LEU 30 13.118 -2.246 16.011 241 2HD1 LEU 30 2HD1 LEU 30 11.736 -1.880 14.950 242 3HD1 LEU 30 3HD1 LEU 30 11.974 -3.535 15.562 243 1HD2 LEU 30 1HD2 LEU 30 13.097 -5.100 13.845 244 2HD2 LEU 30 2HD2 LEU 30 14.683 -4.496 13.306 245 3HD2 LEU 30 3HD2 LEU 30 14.303 -4.573 15.043 246 H LEU 31 HN LEU 31 12.704 -1.169 10.189 247 HA LEU 31 HA LEU 31 10.400 -1.706 8.819 248 1HB LEU 31 2HB LEU 31 11.845 0.450 9.149 249 2HB LEU 31 3HB LEU 31 12.555 -0.009 7.614 250 HG LEU 31 HG LEU 31 9.791 -0.186 7.183 251 1HD1 LEU 31 1HD1 LEU 31 9.515 2.460 7.863 252 2HD1 LEU 31 2HD1 LEU 31 8.834 1.080 8.758 253 3HD1 LEU 31 3HD1 LEU 31 10.384 1.792 9.266 254 1HD2 LEU 31 1HD2 LEU 31 12.058 1.495 6.310 255 2HD2 LEU 31 2HD2 LEU 31 10.838 0.613 5.360 256 3HD2 LEU 31 3HD2 LEU 31 10.442 2.199 6.065 257 H LEU 32 HN LEU 32 13.739 -1.818 7.375 258 HA LEU 32 HA LEU 32 13.022 -2.982 5.010 259 1HB LEU 32 2HB LEU 32 15.570 -3.463 6.559 260 2HB LEU 32 3HB LEU 32 15.339 -3.682 4.836 261 HG LEU 32 HG LEU 32 14.994 -1.002 6.195 262 1HD1 LEU 32 1HD1 LEU 32 17.241 -1.643 6.682 263 2HD1 LEU 32 2HD1 LEU 32 17.501 -2.225 5.020 264 3HD1 LEU 32 3HD1 LEU 32 17.291 -0.485 5.331 265 1HD2 LEU 32 1HD2 LEU 32 15.621 -0.293 3.771 266 2HD2 LEU 32 2HD2 LEU 32 15.124 -1.948 3.346 267 3HD2 LEU 32 3HD2 LEU 32 13.967 -0.845 4.128 268 H GLN 33 HN GLN 33 12.993 -4.345 8.226 269 HA GLN 33 HA GLN 33 13.302 -7.021 7.461 270 1HB GLN 33 2HB GLN 33 13.208 -5.656 9.851 271 2HB GLN 33 3HB GLN 33 11.643 -6.445 9.865 272 1HG GLN 33 2HG GLN 33 12.873 -8.632 9.274 273 2HG GLN 33 3HG GLN 33 14.372 -7.778 9.582 274 1HE2 GLN 33 1HE2 GLN 33 14.795 -6.933 11.663 275 2HE2 GLN 33 2HE2 GLN 33 14.061 -7.597 13.085 276 H THR 34 HN THR 34 10.420 -4.914 8.070 277 HA THR 34 HA THR 34 8.722 -7.051 6.993 278 HB THR 34 HB THR 34 8.458 -4.848 8.990 279 HG1 THR 34 HG1 THR 34 8.363 -7.243 9.299 280 1HG2 THR 34 1HG2 THR 34 6.814 -3.949 7.425 281 2HG2 THR 34 2HG2 THR 34 6.231 -5.582 7.024 282 3HG2 THR 34 3HG2 THR 34 5.917 -4.896 8.636 283 H GLU 35 HN GLU 35 9.345 -3.497 6.657 284 HA GLU 35 HA GLU 35 7.679 -3.003 4.608 285 1HB GLU 35 2HB GLU 35 8.904 -1.201 5.608 286 2HB GLU 35 3HB GLU 35 10.452 -1.923 5.217 287 1HG GLU 35 2HG GLU 35 10.129 -0.165 3.612 288 2HG GLU 35 3HG GLU 35 9.849 -1.661 2.742 289 H PHE 36 HN PHE 36 11.142 -4.080 4.297 290 HA PHE 36 HA PHE 36 10.407 -5.543 1.917 291 1HB PHE 36 2HB PHE 36 12.416 -3.221 2.076 292 2HB PHE 36 3HB PHE 36 12.418 -4.364 0.748 293 HD1 PHE 36 HD1 PHE 36 11.784 -1.209 1.090 294 HD2 PHE 36 HD2 PHE 36 9.506 -4.698 0.285 295 HE1 PHE 36 HE1 PHE 36 10.075 0.183 -0.112 296 HE2 PHE 36 HE2 PHE 36 7.798 -3.306 -0.916 297 HZ PHE 36 HZ PHE 36 8.103 -0.882 -1.100 298 HA PRO 37 HA PRO 37 13.494 -7.676 4.363 299 1HB PRO 37 2HB PRO 37 12.402 -10.172 4.148 300 2HB PRO 37 3HB PRO 37 12.033 -9.075 5.464 301 1HG PRO 37 2HG PRO 37 10.368 -9.794 3.129 302 2HG PRO 37 3HG PRO 37 9.878 -9.057 4.642 303 1HD PRO 37 2HD PRO 37 10.212 -7.736 2.118 304 2HD PRO 37 3HD PRO 37 9.835 -6.981 3.654 305 H SER 38 HN SER 38 12.747 -7.440 1.213 306 HA SER 38 HA SER 38 14.493 -9.573 0.398 307 1HB SER 38 2HB SER 38 12.284 -8.325 -0.757 308 2HB SER 38 3HB SER 38 13.618 -7.640 -1.664 309 HG SER 38 HG SER 38 12.529 -9.896 -2.231 310 H LEU 39 HN LEU 39 14.458 -6.048 0.860 311 HA LEU 39 HA LEU 39 16.749 -5.489 -0.686 312 1HB LEU 39 2HB LEU 39 14.838 -4.089 0.902 313 2HB LEU 39 3HB LEU 39 16.439 -3.619 1.439 314 HG LEU 39 HG LEU 39 15.319 -2.224 -0.394 315 1HD1 LEU 39 1HD1 LEU 39 17.481 -1.587 -0.074 316 2HD1 LEU 39 2HD1 LEU 39 18.127 -3.225 -0.332 317 3HD1 LEU 39 3HD1 LEU 39 17.621 -2.239 -1.724 318 1HD2 LEU 39 1HD2 LEU 39 16.411 -3.897 -2.519 319 2HD2 LEU 39 2HD2 LEU 39 15.062 -4.676 -1.658 320 3HD2 LEU 39 3HD2 LEU 39 14.839 -3.072 -2.397 321 H LEU 40 HN LEU 40 16.232 -7.008 2.410 322 HA LEU 40 HA LEU 40 18.784 -6.333 3.488 323 1HB LEU 40 2HB LEU 40 16.690 -8.375 4.232 324 2HB LEU 40 3HB LEU 40 18.184 -8.154 5.122 325 HG LEU 40 HG LEU 40 16.100 -5.993 4.701 326 1HD1 LEU 40 1HD1 LEU 40 16.588 -7.284 7.356 327 2HD1 LEU 40 2HD1 LEU 40 15.129 -6.488 6.716 328 3HD1 LEU 40 3HD1 LEU 40 15.568 -8.122 6.162 329 1HD2 LEU 40 1HD2 LEU 40 17.362 -4.895 6.599 330 2HD2 LEU 40 2HD2 LEU 40 18.651 -6.091 6.321 331 3HD2 LEU 40 3HD2 LEU 40 18.201 -4.952 5.030 332 H LYS 41 HN LYS 41 17.443 -8.836 1.359 333 HA LYS 41 HA LYS 41 19.612 -10.632 1.665 334 1HB LYS 41 2HB LYS 41 17.470 -10.349 -0.461 335 2HB LYS 41 3HB LYS 41 18.638 -11.654 -0.417 336 1HG LYS 41 2HG LYS 41 17.699 -11.682 2.190 337 2HG LYS 41 3HG LYS 41 16.266 -11.178 1.316 338 1HD LYS 41 2HD LYS 41 16.011 -13.216 0.285 339 2HD LYS 41 3HD LYS 41 17.732 -13.413 0.017 340 1HE LYS 41 2HE LYS 41 17.007 -13.534 2.884 341 2HE LYS 41 3HE LYS 41 16.209 -14.772 1.934 342 1HZ LYS 41 1HZ LYS 41 18.841 -14.713 2.748 343 2HZ LYS 41 2HZ LYS 41 18.108 -15.847 1.828 344 3HZ LYS 41 3HZ LYS 41 18.865 -14.585 1.120 345 H GLY 42 HN GLY 42 18.896 -7.819 -0.423 346 1HA GLY 42 1HA GLY 42 20.609 -8.008 -2.476 347 2HA GLY 42 2HA GLY 42 20.355 -6.524 -1.579 348 H MET 43 HN MET 43 22.826 -7.072 -2.836 349 HA MET 43 HA MET 43 24.616 -8.268 -1.024 350 1HB MET 43 2HB MET 43 25.059 -6.334 -3.367 351 2HB MET 43 3HB MET 43 26.339 -7.244 -2.590 352 1HG MET 43 2HG MET 43 24.562 -9.274 -3.162 353 2HG MET 43 3HG MET 43 24.234 -8.181 -4.491 354 1HE MET 43 1HE MET 43 25.417 -10.919 -5.470 355 2HE MET 43 2HE MET 43 24.957 -9.434 -6.337 356 3HE MET 43 3HE MET 43 26.550 -10.176 -6.624 357 H SER 44 HN SER 44 22.890 -5.412 -0.776 358 HA SER 44 HA SER 44 25.060 -3.870 0.312 359 1HB SER 44 2HB SER 44 22.095 -3.173 0.264 360 2HB SER 44 3HB SER 44 23.434 -2.067 0.495 361 HG SER 44 HG SER 44 22.836 -3.568 -1.910 362 H THR 45 HN THR 45 25.718 -4.756 2.285 363 HA THR 45 HA THR 45 23.963 -5.965 4.115 364 HB THR 45 HB THR 45 25.981 -5.819 5.601 365 HG1 THR 45 HG1 THR 45 27.708 -4.472 4.799 366 1HG2 THR 45 1HG2 THR 45 26.560 -7.593 4.224 367 2HG2 THR 45 2HG2 THR 45 26.162 -6.692 2.742 368 3HG2 THR 45 3HG2 THR 45 27.721 -6.419 3.558 369 H LEU 46 HN LEU 46 23.795 -5.153 6.482 370 HA LEU 46 HA LEU 46 22.096 -3.003 6.502 371 1HB LEU 46 2HB LEU 46 22.687 -4.899 8.234 372 2HB LEU 46 3HB LEU 46 23.727 -3.665 8.917 373 HG LEU 46 HG LEU 46 21.905 -2.239 9.426 374 1HD1 LEU 46 1HD1 LEU 46 20.438 -2.117 7.692 375 2HD1 LEU 46 2HD1 LEU 46 20.438 -3.875 7.412 376 3HD1 LEU 46 3HD1 LEU 46 19.507 -3.189 8.765 377 1HD2 LEU 46 1HD2 LEU 46 21.008 -3.413 11.139 378 2HD2 LEU 46 2HD2 LEU 46 20.526 -4.779 10.105 379 3HD2 LEU 46 3HD2 LEU 46 22.217 -4.618 10.636 380 H ASP 47 HN ASP 47 25.489 -2.996 7.818 381 HA ASP 47 HA ASP 47 25.723 -0.398 8.318 382 1HB ASP 47 2HB ASP 47 27.548 -2.580 7.557 383 2HB ASP 47 3HB ASP 47 28.173 -1.021 7.057 384 H GLU 48 HN GLU 48 26.410 -2.043 5.139 385 HA GLU 48 HA GLU 48 27.141 0.183 3.738 386 1HB GLU 48 2HB GLU 48 26.382 -2.564 3.169 387 2HB GLU 48 3HB GLU 48 25.702 -1.509 1.946 388 1HG GLU 48 2HG GLU 48 28.175 -0.422 2.042 389 2HG GLU 48 3HG GLU 48 28.592 -2.022 2.621 390 H LEU 49 HN LEU 49 23.851 -1.239 4.244 391 HA LEU 49 HA LEU 49 22.514 0.594 2.600 392 1HB LEU 49 2HB LEU 49 21.883 -1.700 3.915 393 2HB LEU 49 3HB LEU 49 21.072 -0.516 4.921 394 HG LEU 49 HG LEU 49 20.243 0.326 2.485 395 1HD1 LEU 49 1HD1 LEU 49 21.103 -2.501 2.158 396 2HD1 LEU 49 2HD1 LEU 49 19.528 -2.046 1.465 397 3HD1 LEU 49 3HD1 LEU 49 21.002 -1.179 0.970 398 1HD2 LEU 49 1HD2 LEU 49 18.431 -1.728 3.206 399 2HD2 LEU 49 2HD2 LEU 49 19.150 -1.108 4.712 400 3HD2 LEU 49 3HD2 LEU 49 18.345 0.009 3.584 401 H PHE 50 HN PHE 50 23.320 0.579 6.118 402 HA PHE 50 HA PHE 50 21.899 2.870 6.778 403 1HB PHE 50 2HB PHE 50 23.039 1.129 8.283 404 2HB PHE 50 3HB PHE 50 24.591 1.799 7.819 405 HD1 PHE 50 HD1 PHE 50 21.450 3.601 8.683 406 HD2 PHE 50 HD2 PHE 50 25.440 2.684 9.797 407 HE1 PHE 50 HE1 PHE 50 21.302 5.250 10.570 408 HE2 PHE 50 HE2 PHE 50 25.292 4.333 11.684 409 HZ PHE 50 HZ PHE 50 23.225 5.596 12.048 410 H GLU 51 HN GLU 51 25.398 2.474 5.872 411 HA GLU 51 HA GLU 51 25.879 5.229 5.992 412 1HB GLU 51 2HB GLU 51 27.360 2.792 5.417 413 2HB GLU 51 3HB GLU 51 27.781 4.025 4.245 414 1HG GLU 51 2HG GLU 51 27.871 5.572 6.459 415 2HG GLU 51 3HG GLU 51 28.172 4.028 7.232 416 H GLU 52 HN GLU 52 24.987 2.944 3.360 417 HA GLU 52 HA GLU 52 25.394 4.726 1.275 418 1HB GLU 52 2HB GLU 52 25.136 2.282 0.976 419 2HB GLU 52 3HB GLU 52 23.465 2.373 1.495 420 1HG GLU 52 2HG GLU 52 22.757 3.442 -0.475 421 2HG GLU 52 3HG GLU 52 24.333 4.140 -0.793 422 H LEU 53 HN LEU 53 22.322 3.770 2.980 423 HA LEU 53 HA LEU 53 20.672 5.544 1.652 424 1HB LEU 53 2HB LEU 53 20.457 4.518 4.486 425 2HB LEU 53 3HB LEU 53 19.159 5.238 3.554 426 HG LEU 53 HG LEU 53 20.560 2.821 2.460 427 1HD1 LEU 53 1HD1 LEU 53 19.342 2.851 5.028 428 2HD1 LEU 53 2HD1 LEU 53 18.258 1.974 3.922 429 3HD1 LEU 53 3HD1 LEU 53 19.953 1.461 4.100 430 1HD2 LEU 53 1HD2 LEU 53 17.684 2.881 2.232 431 2HD2 LEU 53 2HD2 LEU 53 18.387 4.415 1.668 432 3HD2 LEU 53 3HD2 LEU 53 18.927 2.874 0.959 433 H ASP 54 HN ASP 54 22.376 5.959 4.834 434 HA ASP 54 HA ASP 54 21.546 8.615 5.075 435 1HB ASP 54 2HB ASP 54 22.597 6.844 6.795 436 2HB ASP 54 3HB ASP 54 24.105 7.605 6.329 437 H LYS 55 HN LYS 55 22.185 9.227 2.733 438 HA LYS 55 HA LYS 55 25.054 9.586 2.384 439 1HB LYS 55 2HB LYS 55 23.038 8.797 0.660 440 2HB LYS 55 3HB LYS 55 23.272 10.478 0.227 441 1HG LYS 55 2HG LYS 55 25.896 9.567 0.527 442 2HG LYS 55 3HG LYS 55 25.087 8.168 -0.150 443 1HD LYS 55 2HD LYS 55 24.703 9.194 -2.179 444 2HD LYS 55 3HD LYS 55 24.371 10.753 -1.450 445 1HE LYS 55 2HE LYS 55 27.181 9.569 -1.594 446 2HE LYS 55 3HE LYS 55 26.524 10.601 -2.849 447 1HZ LYS 55 1HZ LYS 55 26.014 12.115 -0.821 448 2HZ LYS 55 2HZ LYS 55 27.232 11.281 -0.123 449 3HZ LYS 55 3HZ LYS 55 27.499 12.113 -1.502 450 H ASN 56 HN ASN 56 22.594 11.168 3.938 451 HA ASN 56 HA ASN 56 23.149 13.775 2.916 452 1HB ASN 56 2HB ASN 56 21.492 14.532 4.546 453 2HB ASN 56 3HB ASN 56 20.881 13.058 3.822 454 1HD2 ASN 56 1HD2 ASN 56 19.738 13.656 6.063 455 2HD2 ASN 56 2HD2 ASN 56 20.278 12.707 7.408 456 H GLY 57 HN GLY 57 25.026 11.723 4.582 457 1HA GLY 57 1HA GLY 57 26.488 11.812 6.324 458 2HA GLY 57 2HA GLY 57 26.911 13.329 5.556 459 H ASP 58 HN ASP 58 24.002 12.268 7.467 460 HA ASP 58 HA ASP 58 24.465 14.624 9.115 461 1HB ASP 58 2HB ASP 58 22.308 14.873 8.218 462 2HB ASP 58 3HB ASP 58 22.004 13.148 8.195 463 H GLY 59 HN GLY 59 23.524 11.128 9.049 464 1HA GLY 59 1HA GLY 59 24.666 9.730 10.704 465 2HA GLY 59 2HA GLY 59 24.270 10.940 11.908 466 H GLU 60 HN GLU 60 21.648 11.022 9.870 467 HA GLU 60 HA GLU 60 20.372 8.695 11.012 468 1HB GLU 60 2HB GLU 60 19.758 11.528 11.724 469 2HB GLU 60 3HB GLU 60 18.364 10.525 11.376 470 1HG GLU 60 2HG GLU 60 18.526 9.728 13.496 471 2HG GLU 60 3HG GLU 60 19.965 8.868 12.986 472 H VAL 61 HN VAL 61 18.542 7.952 9.779 473 HA VAL 61 HA VAL 61 18.565 8.989 7.070 474 HB VAL 61 HB VAL 61 17.307 6.558 8.355 475 1HG1 VAL 61 1HG1 VAL 61 17.321 7.482 5.468 476 2HG1 VAL 61 2HG1 VAL 61 16.967 5.810 5.965 477 3HG1 VAL 61 3HG1 VAL 61 15.914 7.141 6.503 478 1HG2 VAL 61 1HG2 VAL 61 19.935 6.942 7.869 479 2HG2 VAL 61 2HG2 VAL 61 19.136 5.356 7.743 480 3HG2 VAL 61 3HG2 VAL 61 19.423 6.328 6.279 481 H SER 62 HN SER 62 16.301 9.050 5.950 482 HA SER 62 HA SER 62 14.125 9.677 7.630 483 1HB SER 62 2HB SER 62 14.615 12.081 6.011 484 2HB SER 62 3HB SER 62 14.153 11.949 7.697 485 HG SER 62 HG SER 62 16.746 12.103 6.531 486 H PHE 63 HN PHE 63 12.231 10.601 6.160 487 HA PHE 63 HA PHE 63 11.741 8.833 4.151 488 1HB PHE 63 2HB PHE 63 10.166 10.459 5.346 489 2HB PHE 63 3HB PHE 63 10.864 11.772 4.419 490 HD1 PHE 63 HD1 PHE 63 9.309 12.547 2.908 491 HD2 PHE 63 HD2 PHE 63 9.694 8.356 3.451 492 HE1 PHE 63 HE1 PHE 63 7.625 12.157 1.088 493 HE2 PHE 63 HE2 PHE 63 8.010 7.966 1.631 494 HZ PHE 63 HZ PHE 63 6.995 9.871 0.472 495 H GLU 64 HN GLU 64 13.742 11.734 4.071 496 HA GLU 64 HA GLU 64 13.576 12.141 1.301 497 1HB GLU 64 2HB GLU 64 16.044 12.934 2.821 498 2HB GLU 64 3HB GLU 64 15.121 13.849 1.645 499 1HG GLU 64 2HG GLU 64 14.536 13.411 4.584 500 2HG GLU 64 3HG GLU 64 14.600 14.919 3.693 501 H GLU 65 HN GLU 65 16.202 10.711 3.382 502 HA GLU 65 HA GLU 65 17.682 9.833 1.195 503 1HB GLU 65 2HB GLU 65 17.664 8.875 4.091 504 2HB GLU 65 3HB GLU 65 18.890 8.438 2.917 505 1HG GLU 65 2HG GLU 65 19.910 10.493 3.017 506 2HG GLU 65 3HG GLU 65 18.389 11.361 3.073 507 H PHE 66 HN PHE 66 14.932 8.479 2.974 508 HA PHE 66 HA PHE 66 15.242 5.803 2.308 509 1HB PHE 66 2HB PHE 66 13.581 7.110 3.883 510 2HB PHE 66 3HB PHE 66 12.632 7.414 2.441 511 HD1 PHE 66 HD1 PHE 66 14.408 4.354 3.643 512 HD2 PHE 66 HD2 PHE 66 10.716 6.136 2.546 513 HE1 PHE 66 HE1 PHE 66 13.255 2.144 3.935 514 HE2 PHE 66 HE2 PHE 66 9.563 3.925 2.838 515 HZ PHE 66 HZ PHE 66 10.846 1.956 3.529 516 H GLN 67 HN GLN 67 13.880 8.575 0.479 517 HA GLN 67 HA GLN 67 12.592 7.128 -1.469 518 1HB GLN 67 2HB GLN 67 14.010 9.817 -1.725 519 2HB GLN 67 3HB GLN 67 12.816 9.198 -2.849 520 1HG GLN 67 2HG GLN 67 11.589 8.948 -0.311 521 2HG GLN 67 3HG GLN 67 12.416 10.491 -0.244 522 1HE2 GLN 67 1HE2 GLN 67 9.667 10.254 -0.180 523 2HE2 GLN 67 2HE2 GLN 67 8.967 10.939 -1.609 524 H VAL 68 HN VAL 68 15.967 7.376 -0.763 525 HA VAL 68 HA VAL 68 16.913 7.018 -3.429 526 HB VAL 68 HB VAL 68 18.251 6.543 -0.758 527 1HG1 VAL 68 1HG1 VAL 68 20.021 5.837 -1.912 528 2HG1 VAL 68 2HG1 VAL 68 19.122 6.029 -3.436 529 3HG1 VAL 68 3HG1 VAL 68 20.070 7.387 -2.785 530 1HG2 VAL 68 1HG2 VAL 68 17.935 8.769 -0.530 531 2HG2 VAL 68 2HG2 VAL 68 19.275 8.890 -1.696 532 3HG2 VAL 68 3HG2 VAL 68 17.591 9.004 -2.261 533 H LEU 69 HN LEU 69 15.944 4.928 -0.692 534 HA LEU 69 HA LEU 69 16.956 2.563 -1.945 535 1HB LEU 69 2HB LEU 69 16.599 3.132 0.570 536 2HB LEU 69 3HB LEU 69 14.947 2.623 0.282 537 HG LEU 69 HG LEU 69 15.679 0.404 -0.370 538 1HD1 LEU 69 1HD1 LEU 69 18.353 0.173 0.275 539 2HD1 LEU 69 2HD1 LEU 69 17.667 0.224 -1.366 540 3HD1 LEU 69 3HD1 LEU 69 18.282 1.714 -0.612 541 1HD2 LEU 69 1HD2 LEU 69 16.173 1.573 2.237 542 2HD2 LEU 69 2HD2 LEU 69 15.465 -0.001 1.804 543 3HD2 LEU 69 3HD2 LEU 69 17.231 0.172 1.940 544 H VAL 70 HN VAL 70 13.880 4.369 -1.794 545 HA VAL 70 HA VAL 70 12.146 2.441 -2.681 546 HB VAL 70 HB VAL 70 12.337 5.414 -2.930 547 1HG1 VAL 70 1HG1 VAL 70 10.489 3.630 -4.488 548 2HG1 VAL 70 2HG1 VAL 70 9.893 5.192 -3.877 549 3HG1 VAL 70 3HG1 VAL 70 11.293 5.142 -4.975 550 1HG2 VAL 70 1HG2 VAL 70 11.017 3.446 -1.226 551 2HG2 VAL 70 2HG2 VAL 70 11.329 5.176 -0.946 552 3HG2 VAL 70 3HG2 VAL 70 9.881 4.667 -1.847 553 H LYS 71 HN LYS 71 14.823 3.985 -4.345 554 HA LYS 71 HA LYS 71 13.871 3.516 -6.973 555 1HB LYS 71 2HB LYS 71 15.904 4.982 -5.835 556 2HB LYS 71 3HB LYS 71 16.785 3.663 -6.578 557 1HG LYS 71 2HG LYS 71 14.895 4.337 -8.536 558 2HG LYS 71 3HG LYS 71 15.323 5.893 -7.851 559 1HD LYS 71 2HD LYS 71 17.566 3.980 -8.481 560 2HD LYS 71 3HD LYS 71 16.764 4.761 -9.829 561 1HE LYS 71 2HE LYS 71 17.116 6.984 -8.460 562 2HE LYS 71 3HE LYS 71 18.284 6.057 -7.540 563 1HZ LYS 71 1HZ LYS 71 18.360 6.795 -10.350 564 2HZ LYS 71 2HZ LYS 71 19.541 6.885 -9.225 565 3HZ LYS 71 3HZ LYS 71 19.140 5.441 -9.875 566 H LYS 72 HN LYS 72 15.994 1.733 -4.663 567 HA LYS 72 HA LYS 72 16.558 -0.340 -6.508 568 1HB LYS 72 2HB LYS 72 16.850 -0.110 -3.502 569 2HB LYS 72 3HB LYS 72 17.369 -1.513 -4.416 570 1HG LYS 72 2HG LYS 72 18.299 1.325 -5.050 571 2HG LYS 72 3HG LYS 72 19.177 0.247 -3.984 572 1HD LYS 72 2HD LYS 72 18.889 -1.428 -6.103 573 2HD LYS 72 3HD LYS 72 18.813 0.096 -6.964 574 1HE LYS 72 2HE LYS 72 20.995 -0.105 -4.929 575 2HE LYS 72 3HE LYS 72 21.157 -1.180 -6.304 576 1HZ LYS 72 1HZ LYS 72 21.576 1.574 -6.205 577 2HZ LYS 72 2HZ LYS 72 21.851 0.549 -7.446 578 3HZ LYS 72 3HZ LYS 72 20.395 1.273 -7.292 579 H ILE 73 HN ILE 73 14.116 0.181 -3.915 580 HA ILE 73 HA ILE 73 13.033 -2.439 -4.217 581 HB ILE 73 HB ILE 73 11.914 0.019 -2.865 582 1HG1 ILE 73 2HG1 ILE 73 13.148 -2.190 -1.305 583 2HG1 ILE 73 3HG1 ILE 73 14.252 -1.169 -2.206 584 1HG2 ILE 73 1HG2 ILE 73 11.031 -2.333 -1.601 585 2HG2 ILE 73 2HG2 ILE 73 10.072 -1.180 -2.561 586 3HG2 ILE 73 3HG2 ILE 73 10.805 -2.599 -3.347 587 1HD1 ILE 73 1HD1 ILE 73 13.463 -0.510 0.263 588 2HD1 ILE 73 2HD1 ILE 73 13.731 0.740 -0.975 589 3HD1 ILE 73 3HD1 ILE 73 12.079 0.183 -0.616 590 H SER 74 HN SER 74 13.028 0.307 -6.184 591 HA SER 74 HA SER 74 10.322 -0.076 -7.083 592 1HB SER 74 2HB SER 74 12.452 1.972 -7.426 593 2HB SER 74 3HB SER 74 11.466 1.712 -8.851 594 HG SER 74 HG SER 74 9.801 2.678 -7.902 595 H GLN 75 HN GLN 75 13.724 -0.579 -8.150 596 HA GLN 75 HA GLN 75 13.016 -1.410 -10.736 597 1HB GLN 75 2HB GLN 75 15.368 -0.737 -9.431 598 2HB GLN 75 3HB GLN 75 15.554 -2.469 -9.624 599 1HG GLN 75 2HG GLN 75 16.402 -1.772 -11.671 600 2HG GLN 75 3HG GLN 75 14.718 -1.968 -12.115 601 1HE2 GLN 75 1HE2 GLN 75 16.609 0.493 -10.357 602 2HE2 GLN 75 2HE2 GLN 75 16.089 1.866 -11.277 Start of MODEL 4 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.426 1.017 -1.415 3 1HB LYS 1 2HB LYS 1 3.023 -1.868 -0.733 4 2HB LYS 1 3HB LYS 1 3.736 -1.063 -2.116 5 1HG LYS 1 2HG LYS 1 5.359 -0.497 -0.583 6 2HG LYS 1 3HG LYS 1 4.263 0.828 -0.244 7 1HD LYS 1 2HD LYS 1 3.977 0.089 1.879 8 2HD LYS 1 3HD LYS 1 3.371 -1.445 1.288 9 1HE LYS 1 2HE LYS 1 6.095 -1.731 0.848 10 2HE LYS 1 3HE LYS 1 6.082 -0.746 2.298 11 1HZ LYS 1 1HZ LYS 1 5.333 -2.443 3.480 12 2HZ LYS 1 2HZ LYS 1 4.193 -2.867 2.390 13 3HZ LYS 1 3HZ LYS 1 5.726 -3.405 2.219 14 H SER 2 HN SER 2 1.877 1.137 -3.566 15 HA SER 2 HA SER 2 -0.561 -0.152 -4.259 16 1HB SER 2 2HB SER 2 1.024 1.309 -6.336 17 2HB SER 2 3HB SER 2 -0.688 1.398 -5.973 18 HG SER 2 HG SER 2 0.588 3.341 -5.392 19 HA PRO 3 HA PRO 3 1.107 -3.363 -6.679 20 1HB PRO 3 2HB PRO 3 -0.607 -3.576 -8.797 21 2HB PRO 3 3HB PRO 3 -0.968 -4.212 -7.204 22 1HG PRO 3 2HG PRO 3 -2.043 -1.794 -8.522 23 2HG PRO 3 3HG PRO 3 -2.683 -2.671 -7.146 24 1HD PRO 3 2HD PRO 3 -1.251 -0.186 -7.082 25 2HD PRO 3 3HD PRO 3 -1.790 -1.122 -5.701 26 H GLU 4 HN GLU 4 0.371 -0.541 -8.630 27 HA GLU 4 HA GLU 4 1.965 -1.236 -10.758 28 1HB GLU 4 2HB GLU 4 0.437 1.013 -9.916 29 2HB GLU 4 3HB GLU 4 2.036 1.635 -10.275 30 1HG GLU 4 2HG GLU 4 0.914 -0.322 -12.250 31 2HG GLU 4 3HG GLU 4 0.117 1.236 -12.178 32 H GLU 5 HN GLU 5 2.762 0.163 -7.577 33 HA GLU 5 HA GLU 5 5.322 1.031 -8.272 34 1HB GLU 5 2HB GLU 5 3.715 0.694 -5.815 35 2HB GLU 5 3HB GLU 5 5.430 0.453 -5.545 36 1HG GLU 5 2HG GLU 5 5.101 2.749 -7.277 37 2HG GLU 5 3HG GLU 5 4.021 2.936 -5.909 38 H LEU 6 HN LEU 6 3.967 -2.094 -7.183 39 HA LEU 6 HA LEU 6 6.348 -3.338 -6.475 40 1HB LEU 6 2HB LEU 6 3.601 -4.144 -7.202 41 2HB LEU 6 3HB LEU 6 4.830 -5.374 -7.424 42 HG LEU 6 HG LEU 6 4.497 -3.872 -4.821 43 1HD1 LEU 6 1HD1 LEU 6 2.474 -4.856 -4.708 44 2HD1 LEU 6 2HD1 LEU 6 2.868 -6.067 -5.952 45 3HD1 LEU 6 3HD1 LEU 6 3.428 -6.297 -4.278 46 1HD2 LEU 6 1HD2 LEU 6 6.232 -5.052 -4.102 47 2HD2 LEU 6 2HD2 LEU 6 5.477 -6.578 -4.624 48 3HD2 LEU 6 3HD2 LEU 6 6.468 -5.638 -5.766 49 H LYS 7 HN LYS 7 4.703 -2.954 -9.660 50 HA LYS 7 HA LYS 7 6.516 -4.590 -11.057 51 1HB LYS 7 2HB LYS 7 4.109 -3.470 -11.612 52 2HB LYS 7 3HB LYS 7 5.156 -2.378 -12.496 53 1HG LYS 7 2HG LYS 7 6.283 -4.743 -13.245 54 2HG LYS 7 3HG LYS 7 4.651 -5.304 -12.938 55 1HD LYS 7 2HD LYS 7 4.647 -4.669 -15.239 56 2HD LYS 7 3HD LYS 7 3.834 -3.353 -14.415 57 1HE LYS 7 2HE LYS 7 5.487 -1.848 -14.921 58 2HE LYS 7 3HE LYS 7 6.769 -2.981 -14.541 59 1HZ LYS 7 1HZ LYS 7 5.247 -3.558 -16.916 60 2HZ LYS 7 2HZ LYS 7 6.196 -2.231 -16.987 61 3HZ LYS 7 3HZ LYS 7 6.853 -3.688 -16.649 62 H GLY 8 HN GLY 8 6.282 -0.991 -10.645 63 1HA GLY 8 1HA GLY 8 8.504 -0.284 -12.135 64 2HA GLY 8 2HA GLY 8 7.855 0.608 -10.773 65 H ILE 9 HN ILE 9 8.331 -0.723 -8.521 66 HA ILE 9 HA ILE 9 11.033 -0.430 -8.070 67 HB ILE 9 HB ILE 9 8.753 -1.694 -6.627 68 1HG1 ILE 9 2HG1 ILE 9 10.679 0.569 -6.033 69 2HG1 ILE 9 3HG1 ILE 9 9.005 0.713 -6.531 70 1HG2 ILE 9 1HG2 ILE 9 10.570 -3.264 -6.210 71 2HG2 ILE 9 2HG2 ILE 9 11.638 -1.925 -5.728 72 3HG2 ILE 9 3HG2 ILE 9 10.203 -2.315 -4.750 73 1HD1 ILE 9 1HD1 ILE 9 8.450 -0.715 -4.413 74 2HD1 ILE 9 2HD1 ILE 9 10.102 -0.304 -3.891 75 3HD1 ILE 9 3HD1 ILE 9 8.911 0.988 -4.179 76 H PHE 10 HN PHE 10 9.119 -3.421 -8.768 77 HA PHE 10 HA PHE 10 11.110 -5.263 -8.465 78 1HB PHE 10 2HB PHE 10 8.874 -6.006 -8.943 79 2HB PHE 10 3HB PHE 10 8.688 -4.877 -10.270 80 HD1 PHE 10 HD1 PHE 10 9.649 -5.385 -12.477 81 HD2 PHE 10 HD2 PHE 10 9.867 -8.172 -9.285 82 HE1 PHE 10 HE1 PHE 10 10.210 -7.208 -14.108 83 HE2 PHE 10 HE2 PHE 10 10.428 -9.996 -10.916 84 HZ PHE 10 HZ PHE 10 10.592 -9.492 -13.308 85 H GLU 11 HN GLU 11 10.197 -3.539 -11.539 86 HA GLU 11 HA GLU 11 12.257 -4.659 -13.010 87 1HB GLU 11 2HB GLU 11 10.183 -2.650 -13.367 88 2HB GLU 11 3HB GLU 11 11.673 -2.095 -14.105 89 1HG GLU 11 2HG GLU 11 11.656 -4.721 -14.936 90 2HG GLU 11 3HG GLU 11 9.934 -4.407 -14.847 91 H LYS 12 HN LYS 12 12.042 -1.654 -11.041 92 HA LYS 12 HA LYS 12 14.427 -0.498 -11.851 93 1HB LYS 12 2HB LYS 12 12.468 0.382 -10.369 94 2HB LYS 12 3HB LYS 12 13.383 -0.289 -9.034 95 1HG LYS 12 2HG LYS 12 14.832 1.444 -11.042 96 2HG LYS 12 3HG LYS 12 13.791 2.223 -9.866 97 1HD LYS 12 2HD LYS 12 15.135 0.564 -8.184 98 2HD LYS 12 3HD LYS 12 16.355 0.715 -9.434 99 1HE LYS 12 2HE LYS 12 16.949 2.718 -8.553 100 2HE LYS 12 3HE LYS 12 15.389 3.357 -9.031 101 1HZ LYS 12 1HZ LYS 12 14.556 2.346 -6.904 102 2HZ LYS 12 2HZ LYS 12 16.117 2.158 -6.463 103 3HZ LYS 12 3HZ LYS 12 15.524 3.652 -6.750 104 H TYR 13 HN TYR 13 13.768 -3.326 -9.867 105 HA TYR 13 HA TYR 13 16.501 -3.328 -8.849 106 1HB TYR 13 2HB TYR 13 13.814 -4.610 -8.343 107 2HB TYR 13 3HB TYR 13 15.187 -5.656 -8.040 108 HD1 TYR 13 HD1 TYR 13 13.824 -2.282 -7.169 109 HD2 TYR 13 HD2 TYR 13 16.323 -5.548 -5.989 110 HE1 TYR 13 HE1 TYR 13 14.130 -1.229 -4.876 111 HE2 TYR 13 HE2 TYR 13 16.620 -4.484 -3.700 112 HH TYR 13 HH TYR 13 16.203 -2.781 -2.442 113 H ALA 14 HN ALA 14 14.274 -5.157 -11.012 114 HA ALA 14 HA ALA 14 16.048 -7.280 -11.498 115 1HB ALA 14 1HB ALA 14 13.962 -6.251 -13.440 116 2HB ALA 14 2HB ALA 14 14.470 -7.929 -13.133 117 3HB ALA 14 3HB ALA 14 13.500 -7.058 -11.922 118 H ALA 15 HN ALA 15 15.969 -3.942 -12.527 119 HA ALA 15 HA ALA 15 17.538 -4.442 -14.899 120 1HB ALA 15 1HB ALA 15 16.066 -2.201 -13.645 121 2HB ALA 15 2HB ALA 15 17.575 -1.727 -14.461 122 3HB ALA 15 3HB ALA 15 16.309 -2.591 -15.365 123 H LYS 16 HN LYS 16 17.997 -3.906 -11.477 124 HA LYS 16 HA LYS 16 20.420 -2.587 -11.453 125 1HB LYS 16 2HB LYS 16 18.705 -3.754 -9.598 126 2HB LYS 16 3HB LYS 16 20.187 -4.670 -9.413 127 1HG LYS 16 2HG LYS 16 21.415 -2.383 -9.368 128 2HG LYS 16 3HG LYS 16 19.832 -1.652 -9.191 129 1HD LYS 16 2HD LYS 16 19.512 -2.506 -7.043 130 2HD LYS 16 3HD LYS 16 20.487 -3.931 -7.342 131 1HE LYS 16 2HE LYS 16 21.686 -2.462 -5.790 132 2HE LYS 16 3HE LYS 16 22.558 -2.513 -7.309 133 1HZ LYS 16 1HZ LYS 16 22.248 -0.359 -7.549 134 2HZ LYS 16 2HZ LYS 16 20.632 -0.465 -7.339 135 3HZ LYS 16 3HZ LYS 16 21.614 -0.292 -6.046 136 H GLU 17 HN GLU 17 19.944 -6.183 -11.167 137 HA GLU 17 HA GLU 17 22.497 -6.414 -12.563 138 1HB GLU 17 2HB GLU 17 21.386 -8.021 -10.234 139 2HB GLU 17 3HB GLU 17 22.673 -8.646 -11.246 140 1HG GLU 17 2HG GLU 17 23.506 -6.020 -10.651 141 2HG GLU 17 3HG GLU 17 22.784 -6.577 -9.155 142 H GLY 18 HN GLY 18 22.502 -7.662 -14.410 143 1HA GLY 18 1HA GLY 18 21.788 -9.069 -16.015 144 2HA GLY 18 2HA GLY 18 20.784 -9.869 -14.822 145 H ASP 19 HN ASP 19 19.549 -9.848 -17.131 146 HA ASP 19 HA ASP 19 18.339 -7.550 -17.986 147 1HB ASP 19 2HB ASP 19 18.357 -10.090 -18.853 148 2HB ASP 19 3HB ASP 19 16.824 -10.165 -18.007 149 HA PRO 20 HA PRO 20 15.372 -6.922 -14.803 150 1HB PRO 20 2HB PRO 20 13.758 -5.083 -16.019 151 2HB PRO 20 3HB PRO 20 15.269 -4.664 -15.238 152 1HG PRO 20 2HG PRO 20 14.668 -4.863 -18.126 153 2HG PRO 20 3HG PRO 20 16.007 -4.053 -17.337 154 1HD PRO 20 2HD PRO 20 16.091 -6.575 -18.699 155 2HD PRO 20 3HD PRO 20 17.399 -5.820 -17.811 156 H ASN 21 HN ASN 21 14.829 -8.612 -17.544 157 HA ASN 21 HA ASN 21 12.012 -8.913 -17.021 158 1HB ASN 21 2HB ASN 21 13.907 -9.984 -19.163 159 2HB ASN 21 3HB ASN 21 12.263 -10.576 -19.027 160 1HD2 ASN 21 1HD2 ASN 21 14.263 -7.714 -19.490 161 2HD2 ASN 21 2HD2 ASN 21 13.102 -6.749 -20.340 162 H GLN 22 HN GLN 22 14.708 -9.977 -15.529 163 HA GLN 22 HA GLN 22 13.460 -12.436 -14.760 164 1HB GLN 22 2HB GLN 22 15.861 -13.558 -15.049 165 2HB GLN 22 3HB GLN 22 14.702 -13.553 -16.363 166 1HG GLN 22 2HG GLN 22 15.986 -12.168 -17.647 167 2HG GLN 22 3HG GLN 22 16.315 -11.084 -16.309 168 1HE2 GLN 22 1HE2 GLN 22 18.028 -11.498 -14.894 169 2HE2 GLN 22 2HE2 GLN 22 19.364 -12.515 -15.320 170 H LEU 23 HN LEU 23 13.692 -12.688 -12.565 171 HA LEU 23 HA LEU 23 15.563 -10.879 -11.256 172 1HB LEU 23 2HB LEU 23 13.107 -12.376 -10.388 173 2HB LEU 23 3HB LEU 23 14.231 -11.729 -9.210 174 HG LEU 23 HG LEU 23 12.129 -10.358 -9.938 175 1HD1 LEU 23 1HD1 LEU 23 13.092 -8.518 -9.004 176 2HD1 LEU 23 2HD1 LEU 23 14.313 -9.733 -8.558 177 3HD1 LEU 23 3HD1 LEU 23 14.587 -8.669 -9.958 178 1HD2 LEU 23 1HD2 LEU 23 12.541 -8.791 -11.775 179 2HD2 LEU 23 2HD2 LEU 23 14.068 -9.625 -12.151 180 3HD2 LEU 23 3HD2 LEU 23 12.517 -10.478 -12.345 181 H SER 24 HN SER 24 17.281 -11.563 -9.992 182 HA SER 24 HA SER 24 17.772 -14.430 -10.157 183 1HB SER 24 2HB SER 24 19.678 -12.062 -9.961 184 2HB SER 24 3HB SER 24 20.207 -13.720 -9.754 185 HG SER 24 HG SER 24 18.661 -13.154 -12.073 186 H LYS 25 HN LYS 25 19.232 -15.245 -8.237 187 HA LYS 25 HA LYS 25 17.815 -14.878 -5.876 188 1HB LYS 25 2HB LYS 25 19.111 -16.892 -6.443 189 2HB LYS 25 3HB LYS 25 20.605 -15.988 -6.305 190 1HG LYS 25 2HG LYS 25 19.776 -15.383 -3.890 191 2HG LYS 25 3HG LYS 25 18.633 -16.693 -4.103 192 1HD LYS 25 2HD LYS 25 20.329 -18.341 -4.233 193 2HD LYS 25 3HD LYS 25 21.559 -17.185 -4.705 194 1HE LYS 25 2HE LYS 25 21.037 -16.132 -2.295 195 2HE LYS 25 3HE LYS 25 20.435 -17.742 -1.955 196 1HZ LYS 25 1HZ LYS 25 23.079 -17.305 -3.138 197 2HZ LYS 25 2HZ LYS 25 22.846 -17.327 -1.522 198 3HZ LYS 25 3HZ LYS 25 22.513 -18.655 -2.413 199 H GLU 26 HN GLU 26 21.183 -13.760 -6.683 200 HA GLU 26 HA GLU 26 21.511 -12.272 -4.418 201 1HB GLU 26 2HB GLU 26 22.775 -12.472 -7.077 202 2HB GLU 26 3HB GLU 26 22.937 -10.875 -6.375 203 1HG GLU 26 2HG GLU 26 24.803 -12.486 -5.759 204 2HG GLU 26 3HG GLU 26 24.004 -11.744 -4.387 205 H GLU 27 HN GLU 27 19.793 -11.512 -7.452 206 HA GLU 27 HA GLU 27 19.612 -8.759 -6.974 207 1HB GLU 27 2HB GLU 27 18.615 -10.706 -8.924 208 2HB GLU 27 3HB GLU 27 17.392 -9.506 -8.553 209 1HG GLU 27 2HG GLU 27 19.903 -8.118 -8.812 210 2HG GLU 27 3HG GLU 27 19.767 -9.209 -10.177 211 H LEU 28 HN LEU 28 17.245 -11.486 -6.532 212 HA LEU 28 HA LEU 28 15.205 -9.978 -5.448 213 1HB LEU 28 2HB LEU 28 15.462 -12.508 -6.186 214 2HB LEU 28 3HB LEU 28 15.717 -12.749 -4.469 215 HG LEU 28 HG LEU 28 13.552 -12.017 -3.910 216 1HD1 LEU 28 1HD1 LEU 28 12.003 -11.094 -5.752 217 2HD1 LEU 28 2HD1 LEU 28 13.235 -10.014 -5.056 218 3HD1 LEU 28 3HD1 LEU 28 13.505 -10.763 -6.648 219 1HD2 LEU 28 1HD2 LEU 28 12.908 -13.383 -6.502 220 2HD2 LEU 28 2HD2 LEU 28 13.847 -14.240 -5.256 221 3HD2 LEU 28 3HD2 LEU 28 12.219 -13.628 -4.879 222 H LYS 29 HN LYS 29 18.053 -11.531 -3.867 223 HA LYS 29 HA LYS 29 17.482 -11.234 -1.267 224 1HB LYS 29 2HB LYS 29 19.557 -12.191 -2.117 225 2HB LYS 29 3HB LYS 29 20.108 -10.615 -2.650 226 1HG LYS 29 2HG LYS 29 20.234 -9.787 -0.367 227 2HG LYS 29 3HG LYS 29 19.389 -11.190 0.257 228 1HD LYS 29 2HD LYS 29 21.436 -12.494 -0.924 229 2HD LYS 29 3HD LYS 29 22.239 -10.954 -0.694 230 1HE LYS 29 2HE LYS 29 20.835 -11.575 1.749 231 2HE LYS 29 3HE LYS 29 21.718 -13.010 1.267 232 1HZ LYS 29 1HZ LYS 29 23.708 -11.775 1.195 233 2HZ LYS 29 2HZ LYS 29 22.942 -10.344 1.374 234 3HZ LYS 29 3HZ LYS 29 22.991 -11.405 2.614 235 H LEU 30 HN LEU 30 18.876 -8.609 -3.357 236 HA LEU 30 HA LEU 30 18.862 -6.638 -1.434 237 1HB LEU 30 2HB LEU 30 18.410 -6.365 -4.410 238 2HB LEU 30 3HB LEU 30 18.879 -5.074 -3.320 239 HG LEU 30 HG LEU 30 20.495 -7.396 -4.324 240 1HD1 LEU 30 1HD1 LEU 30 21.312 -4.512 -3.948 241 2HD1 LEU 30 2HD1 LEU 30 22.054 -5.756 -4.983 242 3HD1 LEU 30 3HD1 LEU 30 20.456 -5.090 -5.398 243 1HD2 LEU 30 1HD2 LEU 30 20.985 -5.897 -1.742 244 2HD2 LEU 30 2HD2 LEU 30 20.821 -7.653 -1.984 245 3HD2 LEU 30 3HD2 LEU 30 22.248 -6.796 -2.617 246 H LEU 31 HN LEU 31 16.302 -7.350 -3.917 247 HA LEU 31 HA LEU 31 14.485 -5.480 -3.108 248 1HB LEU 31 2HB LEU 31 14.514 -7.162 -5.075 249 2HB LEU 31 3HB LEU 31 13.665 -8.235 -3.979 250 HG LEU 31 HG LEU 31 12.452 -5.577 -4.063 251 1HD1 LEU 31 1HD1 LEU 31 13.351 -5.622 -6.363 252 2HD1 LEU 31 2HD1 LEU 31 12.489 -7.152 -6.652 253 3HD1 LEU 31 3HD1 LEU 31 11.572 -5.664 -6.317 254 1HD2 LEU 31 1HD2 LEU 31 11.210 -8.214 -4.843 255 2HD2 LEU 31 2HD2 LEU 31 11.532 -7.780 -3.147 256 3HD2 LEU 31 3HD2 LEU 31 10.438 -6.778 -4.131 257 H LEU 32 HN LEU 32 14.428 -8.974 -2.093 258 HA LEU 32 HA LEU 32 12.518 -8.731 -0.165 259 1HB LEU 32 2HB LEU 32 14.957 -10.513 -0.089 260 2HB LEU 32 3HB LEU 32 13.471 -10.751 0.809 261 HG LEU 32 HG LEU 32 13.625 -10.735 -2.216 262 1HD1 LEU 32 1HD1 LEU 32 13.574 -13.143 -2.162 263 2HD1 LEU 32 2HD1 LEU 32 14.973 -12.568 -1.224 264 3HD1 LEU 32 3HD1 LEU 32 13.515 -13.145 -0.383 265 1HD2 LEU 32 1HD2 LEU 32 11.422 -12.189 -1.003 266 2HD2 LEU 32 2HD2 LEU 32 11.431 -10.476 -0.519 267 3HD2 LEU 32 3HD2 LEU 32 11.409 -10.913 -2.244 268 H GLN 33 HN GLN 33 15.777 -7.453 -0.189 269 HA GLN 33 HA GLN 33 16.071 -7.300 2.598 270 1HB GLN 33 2HB GLN 33 17.710 -6.902 0.408 271 2HB GLN 33 3HB GLN 33 17.468 -5.255 0.956 272 1HG GLN 33 2HG GLN 33 18.001 -6.221 3.352 273 2HG GLN 33 3HG GLN 33 18.668 -7.589 2.482 274 1HE2 GLN 33 1HE2 GLN 33 20.545 -7.418 1.367 275 2HE2 GLN 33 2HE2 GLN 33 21.581 -6.030 1.388 276 H THR 34 HN THR 34 15.457 -4.683 0.136 277 HA THR 34 HA THR 34 14.527 -2.922 2.221 278 HB THR 34 HB THR 34 15.359 -2.809 -0.633 279 HG1 THR 34 HG1 THR 34 15.188 -1.066 1.724 280 1HG2 THR 34 1HG2 THR 34 13.207 -1.894 -1.151 281 2HG2 THR 34 2HG2 THR 34 13.047 -1.149 0.458 282 3HG2 THR 34 3HG2 THR 34 14.182 -0.465 -0.730 283 H GLU 35 HN GLU 35 13.082 -4.608 -0.637 284 HA GLU 35 HA GLU 35 10.582 -3.643 -0.449 285 1HB GLU 35 2HB GLU 35 11.263 -5.143 -2.239 286 2HB GLU 35 3HB GLU 35 11.511 -6.466 -1.116 287 1HG GLU 35 2HG GLU 35 8.904 -5.868 -0.539 288 2HG GLU 35 3HG GLU 35 8.953 -5.360 -2.216 289 H PHE 36 HN PHE 36 11.747 -6.690 1.175 290 HA PHE 36 HA PHE 36 10.098 -6.042 3.456 291 1HB PHE 36 2HB PHE 36 9.755 -8.429 1.560 292 2HB PHE 36 3HB PHE 36 9.202 -8.525 3.221 293 HD1 PHE 36 HD1 PHE 36 7.810 -6.222 3.876 294 HD2 PHE 36 HD2 PHE 36 8.083 -8.021 0.043 295 HE1 PHE 36 HE1 PHE 36 5.640 -5.146 3.217 296 HE2 PHE 36 HE2 PHE 36 5.913 -6.945 -0.616 297 HZ PHE 36 HZ PHE 36 4.718 -5.521 0.979 298 HA PRO 37 HA PRO 37 13.933 -8.034 4.622 299 1HB PRO 37 2HB PRO 37 14.486 -6.428 6.763 300 2HB PRO 37 3HB PRO 37 15.076 -6.105 5.145 301 1HG PRO 37 2HG PRO 37 12.896 -4.765 6.626 302 2HG PRO 37 3HG PRO 37 13.773 -4.203 5.216 303 1HD PRO 37 2HD PRO 37 11.121 -5.296 5.264 304 2HD PRO 37 3HD PRO 37 12.042 -4.842 3.844 305 H SER 38 HN SER 38 10.897 -7.968 5.749 306 HA SER 38 HA SER 38 11.563 -9.294 8.221 307 1HB SER 38 2HB SER 38 9.309 -7.787 7.194 308 2HB SER 38 3HB SER 38 8.743 -9.359 7.721 309 HG SER 38 HG SER 38 9.583 -7.201 9.233 310 H LEU 39 HN LEU 39 10.339 -9.926 4.933 311 HA LEU 39 HA LEU 39 9.387 -12.535 5.471 312 1HB LEU 39 2HB LEU 39 9.469 -10.699 3.302 313 2HB LEU 39 3HB LEU 39 10.169 -12.206 2.744 314 HG LEU 39 HG LEU 39 7.634 -11.811 2.457 315 1HD1 LEU 39 1HD1 LEU 39 8.584 -14.402 3.709 316 2HD1 LEU 39 2HD1 LEU 39 7.164 -14.182 2.659 317 3HD1 LEU 39 3HD1 LEU 39 8.801 -13.934 2.006 318 1HD2 LEU 39 1HD2 LEU 39 6.259 -11.729 4.213 319 2HD2 LEU 39 2HD2 LEU 39 7.088 -13.070 5.040 320 3HD2 LEU 39 3HD2 LEU 39 7.716 -11.410 5.185 321 H LEU 40 HN LEU 40 12.547 -11.119 5.137 322 HA LEU 40 HA LEU 40 13.830 -13.480 4.184 323 1HB LEU 40 2HB LEU 40 14.854 -10.925 5.421 324 2HB LEU 40 3HB LEU 40 15.895 -12.217 4.858 325 HG LEU 40 HG LEU 40 13.908 -10.788 3.075 326 1HD1 LEU 40 1HD1 LEU 40 15.240 -9.002 3.270 327 2HD1 LEU 40 2HD1 LEU 40 16.544 -9.933 4.044 328 3HD1 LEU 40 3HD1 LEU 40 16.386 -9.928 2.271 329 1HD2 LEU 40 1HD2 LEU 40 14.370 -12.707 1.929 330 2HD2 LEU 40 2HD2 LEU 40 15.727 -11.697 1.377 331 3HD2 LEU 40 3HD2 LEU 40 15.979 -12.900 2.664 332 H LYS 41 HN LYS 41 12.785 -12.195 7.302 333 HA LYS 41 HA LYS 41 14.527 -13.732 8.895 334 1HB LYS 41 2HB LYS 41 13.373 -12.861 10.686 335 2HB LYS 41 3HB LYS 41 13.061 -11.650 9.459 336 1HG LYS 41 2HG LYS 41 10.869 -11.971 10.063 337 2HG LYS 41 3HG LYS 41 10.966 -13.327 8.957 338 1HD LYS 41 2HD LYS 41 11.391 -14.891 10.763 339 2HD LYS 41 3HD LYS 41 11.665 -13.597 11.912 340 1HE LYS 41 2HE LYS 41 9.382 -13.086 12.106 341 2HE LYS 41 3HE LYS 41 9.000 -13.673 10.499 342 1HZ LYS 41 1HZ LYS 41 9.803 -15.902 11.619 343 2HZ LYS 41 2HZ LYS 41 9.254 -15.148 12.960 344 3HZ LYS 41 3HZ LYS 41 8.252 -15.395 11.694 345 H GLY 42 HN GLY 42 11.464 -14.379 7.212 346 1HA GLY 42 1HA GLY 42 10.392 -16.501 8.472 347 2HA GLY 42 2HA GLY 42 10.512 -16.374 6.728 348 H MET 43 HN MET 43 10.534 -18.896 7.928 349 HA MET 43 HA MET 43 13.183 -19.734 8.429 350 1HB MET 43 2HB MET 43 10.626 -21.293 7.752 351 2HB MET 43 3HB MET 43 12.095 -22.032 8.358 352 1HG MET 43 2HG MET 43 11.656 -20.003 10.220 353 2HG MET 43 3HG MET 43 10.021 -20.490 9.819 354 1HE MET 43 1HE MET 43 10.264 -22.493 12.981 355 2HE MET 43 2HE MET 43 9.993 -20.877 12.287 356 3HE MET 43 3HE MET 43 9.037 -22.264 11.712 357 H SER 44 HN SER 44 11.706 -18.752 5.593 358 HA SER 44 HA SER 44 12.864 -20.816 3.955 359 1HB SER 44 2HB SER 44 10.600 -19.806 3.466 360 2HB SER 44 3HB SER 44 11.387 -18.276 3.135 361 HG SER 44 HG SER 44 11.388 -20.684 1.616 362 H THR 45 HN THR 45 15.115 -20.615 3.954 363 HA THR 45 HA THR 45 16.441 -18.127 4.036 364 HB THR 45 HB THR 45 18.428 -19.587 3.537 365 HG1 THR 45 HG1 THR 45 17.737 -21.218 2.184 366 1HG2 THR 45 1HG2 THR 45 18.341 -20.368 5.681 367 2HG2 THR 45 2HG2 THR 45 16.617 -19.931 5.740 368 3HG2 THR 45 3HG2 THR 45 17.104 -21.559 5.211 369 H LEU 46 HN LEU 46 18.115 -17.519 2.271 370 HA LEU 46 HA LEU 46 16.731 -16.570 0.105 371 1HB LEU 46 2HB LEU 46 19.097 -16.061 1.128 372 2HB LEU 46 3HB LEU 46 19.651 -17.183 -0.099 373 HG LEU 46 HG LEU 46 18.906 -15.799 -1.872 374 1HD1 LEU 46 1HD1 LEU 46 17.733 -13.550 -1.222 375 2HD1 LEU 46 2HD1 LEU 46 16.786 -15.048 -1.382 376 3HD1 LEU 46 3HD1 LEU 46 17.246 -14.454 0.232 377 1HD2 LEU 46 1HD2 LEU 46 19.810 -13.521 -0.267 378 2HD2 LEU 46 2HD2 LEU 46 20.821 -14.973 -0.076 379 3HD2 LEU 46 3HD2 LEU 46 20.542 -14.289 -1.696 380 H ASP 47 HN ASP 47 19.138 -19.298 0.010 381 HA ASP 47 HA ASP 47 18.735 -20.105 -2.488 382 1HB ASP 47 2HB ASP 47 19.556 -21.369 0.038 383 2HB ASP 47 3HB ASP 47 18.805 -22.531 -1.037 384 H GLU 48 HN GLU 48 16.857 -21.172 0.447 385 HA GLU 48 HA GLU 48 15.150 -22.883 -0.824 386 1HB GLU 48 2HB GLU 48 15.344 -21.560 1.756 387 2HB GLU 48 3HB GLU 48 13.669 -21.593 1.246 388 1HG GLU 48 2HG GLU 48 14.306 -24.139 0.597 389 2HG GLU 48 3HG GLU 48 15.523 -23.893 1.833 390 H LEU 49 HN LEU 49 14.862 -19.319 -0.283 391 HA LEU 49 HA LEU 49 12.295 -19.107 -1.410 392 1HB LEU 49 2HB LEU 49 13.961 -17.494 0.014 393 2HB LEU 49 3HB LEU 49 14.103 -16.786 -1.583 394 HG LEU 49 HG LEU 49 11.387 -17.052 -1.373 395 1HD1 LEU 49 1HD1 LEU 49 10.689 -17.283 0.717 396 2HD1 LEU 49 2HD1 LEU 49 12.375 -17.386 1.280 397 3HD1 LEU 49 3HD1 LEU 49 11.565 -15.804 1.182 398 1HD2 LEU 49 1HD2 LEU 49 13.350 -14.942 -1.336 399 2HD2 LEU 49 2HD2 LEU 49 11.697 -14.946 -1.996 400 3HD2 LEU 49 3HD2 LEU 49 11.972 -14.521 -0.289 401 H PHE 50 HN PHE 50 15.632 -18.821 -2.744 402 HA PHE 50 HA PHE 50 14.892 -17.953 -5.275 403 1HB PHE 50 2HB PHE 50 17.209 -18.104 -4.158 404 2HB PHE 50 3HB PHE 50 17.158 -19.841 -4.390 405 HD1 PHE 50 HD1 PHE 50 16.202 -17.075 -6.705 406 HD2 PHE 50 HD2 PHE 50 18.800 -20.342 -5.942 407 HE1 PHE 50 HE1 PHE 50 17.215 -16.801 -8.985 408 HE2 PHE 50 HE2 PHE 50 19.814 -20.068 -8.222 409 HZ PHE 50 HZ PHE 50 19.009 -18.301 -9.716 410 H GLU 51 HN GLU 51 15.586 -21.320 -4.082 411 HA GLU 51 HA GLU 51 14.909 -22.475 -6.537 412 1HB GLU 51 2HB GLU 51 15.113 -24.596 -5.371 413 2HB GLU 51 3HB GLU 51 16.371 -23.526 -4.786 414 1HG GLU 51 2HG GLU 51 15.500 -24.432 -2.789 415 2HG GLU 51 3HG GLU 51 14.682 -22.886 -2.893 416 H GLU 52 HN GLU 52 13.100 -21.802 -3.501 417 HA GLU 52 HA GLU 52 10.849 -23.277 -4.157 418 1HB GLU 52 2HB GLU 52 11.277 -22.474 -1.883 419 2HB GLU 52 3HB GLU 52 11.181 -20.804 -2.406 420 1HG GLU 52 2HG GLU 52 8.855 -20.851 -2.634 421 2HG GLU 52 3HG GLU 52 8.814 -22.564 -3.004 422 H LEU 53 HN LEU 53 11.498 -19.711 -4.496 423 HA LEU 53 HA LEU 53 9.111 -19.101 -5.763 424 1HB LEU 53 2HB LEU 53 11.812 -17.776 -6.047 425 2HB LEU 53 3HB LEU 53 10.273 -17.074 -6.505 426 HG LEU 53 HG LEU 53 10.664 -17.979 -3.672 427 1HD1 LEU 53 1HD1 LEU 53 12.244 -16.509 -3.161 428 2HD1 LEU 53 2HD1 LEU 53 12.460 -16.198 -4.901 429 3HD1 LEU 53 3HD1 LEU 53 11.344 -15.190 -3.948 430 1HD2 LEU 53 1HD2 LEU 53 9.293 -15.455 -4.493 431 2HD2 LEU 53 2HD2 LEU 53 8.503 -17.009 -4.853 432 3HD2 LEU 53 3HD2 LEU 53 8.920 -16.590 -3.173 433 H ASP 54 HN ASP 54 12.343 -19.963 -7.164 434 HA ASP 54 HA ASP 54 11.370 -19.839 -9.790 435 1HB ASP 54 2HB ASP 54 13.787 -19.636 -9.110 436 2HB ASP 54 3HB ASP 54 13.786 -21.330 -8.660 437 H LYS 55 HN LYS 55 9.703 -21.276 -10.365 438 HA LYS 55 HA LYS 55 10.092 -24.085 -9.592 439 1HB LYS 55 2HB LYS 55 7.690 -24.336 -9.573 440 2HB LYS 55 3HB LYS 55 8.150 -23.029 -8.501 441 1HG LYS 55 2HG LYS 55 7.039 -21.465 -9.740 442 2HG LYS 55 3HG LYS 55 7.676 -22.079 -11.252 443 1HD LYS 55 2HD LYS 55 5.685 -23.869 -9.946 444 2HD LYS 55 3HD LYS 55 5.041 -22.316 -10.440 445 1HE LYS 55 2HE LYS 55 5.002 -22.979 -12.609 446 2HE LYS 55 3HE LYS 55 6.725 -23.295 -12.575 447 1HZ LYS 55 1HZ LYS 55 4.620 -25.158 -11.720 448 2HZ LYS 55 2HZ LYS 55 5.531 -25.281 -13.070 449 3HZ LYS 55 3HZ LYS 55 6.221 -25.455 -11.601 450 H ASN 56 HN ASN 56 10.225 -21.807 -12.108 451 HA ASN 56 HA ASN 56 9.229 -23.590 -14.111 452 1HB ASN 56 2HB ASN 56 10.793 -20.984 -14.477 453 2HB ASN 56 3HB ASN 56 9.794 -21.776 -15.680 454 1HD2 ASN 56 1HD2 ASN 56 7.493 -22.268 -14.870 455 2HD2 ASN 56 2HD2 ASN 56 6.656 -20.968 -14.090 456 H GLY 57 HN GLY 57 11.823 -23.850 -12.227 457 1HA GLY 57 1HA GLY 57 14.021 -24.400 -12.432 458 2HA GLY 57 2HA GLY 57 13.362 -25.546 -13.583 459 H ASP 58 HN ASP 58 14.144 -21.989 -13.479 460 HA ASP 58 HA ASP 58 15.536 -22.416 -16.000 461 1HB ASP 58 2HB ASP 58 14.784 -20.031 -16.590 462 2HB ASP 58 3HB ASP 58 13.546 -21.270 -16.657 463 H GLY 59 HN GLY 59 14.878 -20.074 -13.282 464 1HA GLY 59 1HA GLY 59 16.870 -19.698 -11.830 465 2HA GLY 59 2HA GLY 59 17.749 -19.357 -13.307 466 H GLU 60 HN GLU 60 14.631 -18.301 -13.914 467 HA GLU 60 HA GLU 60 15.362 -15.619 -13.041 468 1HB GLU 60 2HB GLU 60 13.405 -16.355 -15.255 469 2HB GLU 60 3HB GLU 60 14.067 -14.768 -14.914 470 1HG GLU 60 2HG GLU 60 15.891 -15.196 -16.190 471 2HG GLU 60 3HG GLU 60 16.266 -16.627 -15.250 472 H VAL 61 HN VAL 61 14.072 -14.583 -11.559 473 HA VAL 61 HA VAL 61 11.602 -15.971 -10.823 474 HB VAL 61 HB VAL 61 13.438 -14.070 -9.365 475 1HG1 VAL 61 1HG1 VAL 61 10.590 -14.635 -8.917 476 2HG1 VAL 61 2HG1 VAL 61 11.610 -14.946 -7.492 477 3HG1 VAL 61 3HG1 VAL 61 11.622 -13.341 -8.262 478 1HG2 VAL 61 1HG2 VAL 61 14.079 -15.870 -8.060 479 2HG2 VAL 61 2HG2 VAL 61 12.590 -16.785 -8.394 480 3HG2 VAL 61 3HG2 VAL 61 13.851 -16.650 -9.643 481 H SER 62 HN SER 62 11.258 -14.706 -13.183 482 HA SER 62 HA SER 62 10.832 -12.066 -13.288 483 1HB SER 62 2HB SER 62 8.588 -13.417 -14.555 484 2HB SER 62 3HB SER 62 9.953 -12.609 -15.300 485 HG SER 62 HG SER 62 9.688 -15.363 -14.525 486 H PHE 63 HN PHE 63 8.631 -10.849 -13.311 487 HA PHE 63 HA PHE 63 7.598 -10.720 -10.800 488 1HB PHE 63 2HB PHE 63 7.372 -9.196 -12.922 489 2HB PHE 63 3HB PHE 63 6.065 -10.252 -13.422 490 HD1 PHE 63 HD1 PHE 63 4.170 -8.906 -13.293 491 HD2 PHE 63 HD2 PHE 63 6.853 -9.000 -10.006 492 HE1 PHE 63 HE1 PHE 63 2.553 -7.550 -11.934 493 HE2 PHE 63 HE2 PHE 63 5.237 -7.643 -8.648 494 HZ PHE 63 HZ PHE 63 3.106 -6.935 -9.628 495 H GLU 64 HN GLU 64 6.743 -12.950 -13.432 496 HA GLU 64 HA GLU 64 4.236 -13.671 -12.639 497 1HB GLU 64 2HB GLU 64 5.002 -15.995 -13.647 498 2HB GLU 64 3HB GLU 64 4.868 -14.587 -14.682 499 1HG GLU 64 2HG GLU 64 7.095 -14.600 -15.134 500 2HG GLU 64 3HG GLU 64 7.508 -14.659 -13.432 501 H GLU 65 HN GLU 65 7.428 -15.054 -11.605 502 HA GLU 65 HA GLU 65 6.175 -16.825 -9.792 503 1HB GLU 65 2HB GLU 65 9.083 -15.961 -10.102 504 2HB GLU 65 3HB GLU 65 8.551 -17.239 -9.028 505 1HG GLU 65 2HG GLU 65 7.422 -18.288 -11.141 506 2HG GLU 65 3HG GLU 65 8.404 -17.169 -12.066 507 H PHE 66 HN PHE 66 7.430 -13.513 -9.698 508 HA PHE 66 HA PHE 66 7.864 -13.261 -6.974 509 1HB PHE 66 2HB PHE 66 8.468 -11.617 -8.784 510 2HB PHE 66 3HB PHE 66 6.770 -11.336 -9.111 511 HD1 PHE 66 HD1 PHE 66 9.376 -10.938 -6.502 512 HD2 PHE 66 HD2 PHE 66 5.578 -9.694 -7.928 513 HE1 PHE 66 HE1 PHE 66 9.366 -9.060 -4.836 514 HE2 PHE 66 HE2 PHE 66 5.568 -7.816 -6.262 515 HZ PHE 66 HZ PHE 66 7.462 -7.522 -4.737 516 H GLN 67 HN GLN 67 4.853 -13.100 -8.921 517 HA GLN 67 HA GLN 67 3.262 -11.969 -6.967 518 1HB GLN 67 2HB GLN 67 2.521 -13.919 -9.193 519 2HB GLN 67 3HB GLN 67 1.365 -12.972 -8.278 520 1HG GLN 67 2HG GLN 67 3.072 -10.978 -9.056 521 2HG GLN 67 3HG GLN 67 3.295 -12.091 -10.392 522 1HE2 GLN 67 1HE2 GLN 67 2.221 -9.661 -10.848 523 2HE2 GLN 67 2HE2 GLN 67 0.539 -9.767 -11.247 524 H VAL 68 HN VAL 68 4.837 -15.018 -7.041 525 HA VAL 68 HA VAL 68 2.851 -16.470 -5.581 526 HB VAL 68 HB VAL 68 5.787 -17.048 -6.016 527 1HG1 VAL 68 1HG1 VAL 68 5.108 -18.523 -4.349 528 2HG1 VAL 68 2HG1 VAL 68 3.459 -18.668 -5.003 529 3HG1 VAL 68 3HG1 VAL 68 4.818 -19.462 -5.833 530 1HG2 VAL 68 1HG2 VAL 68 4.025 -16.695 -8.034 531 2HG2 VAL 68 2HG2 VAL 68 5.363 -17.867 -8.090 532 3HG2 VAL 68 3HG2 VAL 68 3.723 -18.409 -7.664 533 H LEU 69 HN LEU 69 5.774 -14.520 -4.872 534 HA LEU 69 HA LEU 69 5.820 -15.252 -2.122 535 1HB LEU 69 2HB LEU 69 7.694 -14.369 -3.702 536 2HB LEU 69 3HB LEU 69 7.086 -12.785 -3.263 537 HG LEU 69 HG LEU 69 7.642 -13.081 -0.972 538 1HD1 LEU 69 1HD1 LEU 69 8.858 -15.441 -0.478 539 2HD1 LEU 69 2HD1 LEU 69 7.134 -15.125 -0.168 540 3HD1 LEU 69 3HD1 LEU 69 7.631 -15.960 -1.659 541 1HD2 LEU 69 1HD2 LEU 69 9.605 -12.404 -1.912 542 2HD2 LEU 69 2HD2 LEU 69 10.132 -13.965 -1.239 543 3HD2 LEU 69 3HD2 LEU 69 9.729 -13.832 -2.968 544 H VAL 70 HN VAL 70 4.125 -12.875 -4.114 545 HA VAL 70 HA VAL 70 3.535 -10.959 -2.232 546 HB VAL 70 HB VAL 70 2.228 -12.027 -4.694 547 1HG1 VAL 70 1HG1 VAL 70 0.398 -10.413 -4.529 548 2HG1 VAL 70 2HG1 VAL 70 0.339 -11.568 -3.175 549 3HG1 VAL 70 3HG1 VAL 70 0.958 -9.919 -2.912 550 1HG2 VAL 70 1HG2 VAL 70 3.822 -10.517 -5.331 551 2HG2 VAL 70 2HG2 VAL 70 2.460 -9.395 -5.097 552 3HG2 VAL 70 3HG2 VAL 70 3.694 -9.574 -3.826 553 H LYS 71 HN LYS 71 2.520 -14.308 -2.439 554 HA LYS 71 HA LYS 71 0.143 -14.014 -0.922 555 1HB LYS 71 2HB LYS 71 1.285 -15.996 -2.458 556 2HB LYS 71 3HB LYS 71 1.503 -16.624 -0.837 557 1HG LYS 71 2HG LYS 71 -1.071 -15.753 -0.615 558 2HG LYS 71 3HG LYS 71 -1.037 -16.070 -2.338 559 1HD LYS 71 2HD LYS 71 0.245 -18.318 -1.235 560 2HD LYS 71 3HD LYS 71 -1.034 -17.975 -0.087 561 1HE LYS 71 2HE LYS 71 -2.678 -18.619 -1.543 562 2HE LYS 71 3HE LYS 71 -1.955 -17.757 -2.887 563 1HZ LYS 71 1HZ LYS 71 -1.644 -19.897 -3.506 564 2HZ LYS 71 2HZ LYS 71 -0.233 -19.667 -2.716 565 3HZ LYS 71 3HZ LYS 71 -1.456 -20.468 -1.988 566 H LYS 72 HN LYS 72 3.549 -14.973 -0.147 567 HA LYS 72 HA LYS 72 2.993 -15.273 2.614 568 1HB LYS 72 2HB LYS 72 5.605 -14.964 1.105 569 2HB LYS 72 3HB LYS 72 5.476 -15.377 2.803 570 1HG LYS 72 2HG LYS 72 5.593 -17.511 1.869 571 2HG LYS 72 3HG LYS 72 3.855 -17.295 1.929 572 1HD LYS 72 2HD LYS 72 3.678 -16.904 -0.390 573 2HD LYS 72 3HD LYS 72 5.338 -16.362 -0.534 574 1HE LYS 72 2HE LYS 72 6.010 -18.456 -1.085 575 2HE LYS 72 3HE LYS 72 5.387 -19.083 0.428 576 1HZ LYS 72 1HZ LYS 72 3.798 -18.660 -2.008 577 2HZ LYS 72 2HZ LYS 72 4.323 -20.103 -1.452 578 3HZ LYS 72 3HZ LYS 72 3.222 -19.251 -0.599 579 H ILE 73 HN ILE 73 3.283 -12.551 0.539 580 HA ILE 73 HA ILE 73 4.279 -10.826 2.649 581 HB ILE 73 HB ILE 73 3.666 -10.483 -0.270 582 1HG1 ILE 73 2HG1 ILE 73 6.211 -9.826 1.213 583 2HG1 ILE 73 3HG1 ILE 73 5.863 -11.458 0.676 584 1HG2 ILE 73 1HG2 ILE 73 4.142 -8.313 1.782 585 2HG2 ILE 73 2HG2 ILE 73 4.408 -8.089 0.036 586 3HG2 ILE 73 3HG2 ILE 73 2.782 -8.481 0.645 587 1HD1 ILE 73 1HD1 ILE 73 7.023 -10.609 -1.171 588 2HD1 ILE 73 2HD1 ILE 73 5.340 -10.285 -1.650 589 3HD1 ILE 73 3HD1 ILE 73 6.342 -8.976 -0.977 590 H SER 74 HN SER 74 1.323 -12.185 1.606 591 HA SER 74 HA SER 74 -0.213 -9.878 2.375 592 1HB SER 74 2HB SER 74 -0.676 -11.743 0.485 593 2HB SER 74 3HB SER 74 -1.481 -12.549 1.817 594 HG SER 74 HG SER 74 -2.101 -9.814 1.586 595 H GLN 75 HN GLN 75 0.328 -13.315 3.405 596 HA GLN 75 HA GLN 75 -1.321 -13.070 5.662 597 1HB GLN 75 2HB GLN 75 -0.048 -15.148 4.294 598 2HB GLN 75 3HB GLN 75 0.798 -15.118 5.828 599 1HG GLN 75 2HG GLN 75 -1.112 -15.659 7.064 600 2HG GLN 75 3HG GLN 75 -2.204 -14.914 5.913 601 1HE2 GLN 75 1HE2 GLN 75 -1.824 -15.964 3.581 602 2HE2 GLN 75 2HE2 GLN 75 -1.997 -17.688 3.544 Start of MODEL 5 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.498 -0.573 -1.973 3 1HB LYS 1 2HB LYS 1 2.759 1.407 -2.730 4 2HB LYS 1 3HB LYS 1 1.215 1.824 -2.014 5 1HG LYS 1 2HG LYS 1 2.737 1.972 0.225 6 2HG LYS 1 3HG LYS 1 3.992 2.294 -0.956 7 1HD LYS 1 2HD LYS 1 2.662 4.159 -1.907 8 2HD LYS 1 3HD LYS 1 1.341 3.808 -0.811 9 1HE LYS 1 2HE LYS 1 2.306 5.048 0.826 10 2HE LYS 1 3HE LYS 1 3.767 4.084 0.749 11 1HZ LYS 1 1HZ LYS 1 3.859 5.636 -1.471 12 2HZ LYS 1 2HZ LYS 1 3.275 6.646 -0.328 13 3HZ LYS 1 3HZ LYS 1 4.699 5.881 -0.092 14 H SER 2 HN SER 2 3.746 0.366 0.700 15 HA SER 2 HA SER 2 6.010 -0.684 -0.464 16 1HB SER 2 2HB SER 2 5.218 0.414 2.083 17 2HB SER 2 3HB SER 2 6.148 -1.040 2.389 18 HG SER 2 HG SER 2 7.636 0.025 0.608 19 HA PRO 3 HA PRO 3 5.782 -4.966 0.335 20 1HB PRO 3 2HB PRO 3 8.172 -5.688 1.446 21 2HB PRO 3 3HB PRO 3 7.967 -5.374 -0.265 22 1HG PRO 3 2HG PRO 3 9.246 -3.677 1.789 23 2HG PRO 3 3HG PRO 3 9.400 -3.594 0.046 24 1HD PRO 3 2HD PRO 3 7.843 -1.858 1.715 25 2HD PRO 3 3HD PRO 3 7.906 -1.849 -0.036 26 H GLU 4 HN GLU 4 6.780 -3.206 3.175 27 HA GLU 4 HA GLU 4 6.359 -5.171 5.015 28 1HB GLU 4 2HB GLU 4 6.887 -2.401 5.026 29 2HB GLU 4 3HB GLU 4 5.414 -2.561 5.962 30 1HG GLU 4 2HG GLU 4 7.585 -4.557 6.534 31 2HG GLU 4 3HG GLU 4 7.893 -2.905 7.032 32 H GLU 5 HN GLU 5 3.993 -2.819 3.608 33 HA GLU 5 HA GLU 5 1.862 -3.730 5.167 34 1HB GLU 5 2HB GLU 5 2.282 -1.882 2.896 35 2HB GLU 5 3HB GLU 5 0.706 -2.649 2.876 36 1HG GLU 5 2HG GLU 5 1.028 -1.963 5.573 37 2HG GLU 5 3HG GLU 5 1.783 -0.620 4.738 38 H LEU 6 HN LEU 6 3.370 -4.849 2.169 39 HA LEU 6 HA LEU 6 1.187 -6.339 1.204 40 1HB LEU 6 2HB LEU 6 4.119 -6.197 0.693 41 2HB LEU 6 3HB LEU 6 3.252 -7.608 0.119 42 HG LEU 6 HG LEU 6 2.515 -4.750 -0.570 43 1HD1 LEU 6 1HD1 LEU 6 3.663 -6.578 -2.616 44 2HD1 LEU 6 2HD1 LEU 6 3.803 -4.813 -2.436 45 3HD1 LEU 6 3HD1 LEU 6 4.782 -5.892 -1.413 46 1HD2 LEU 6 1HD2 LEU 6 1.556 -6.678 -2.447 47 2HD2 LEU 6 2HD2 LEU 6 1.065 -7.182 -0.812 48 3HD2 LEU 6 3HD2 LEU 6 0.633 -5.562 -1.411 49 H LYS 7 HN LYS 7 3.845 -7.007 3.519 50 HA LYS 7 HA LYS 7 3.353 -9.767 3.707 51 1HB LYS 7 2HB LYS 7 5.337 -8.148 4.522 52 2HB LYS 7 3HB LYS 7 4.464 -8.273 6.035 53 1HG LYS 7 2HG LYS 7 4.946 -10.817 4.493 54 2HG LYS 7 3HG LYS 7 6.319 -10.089 5.302 55 1HD LYS 7 2HD LYS 7 3.671 -10.680 6.703 56 2HD LYS 7 3HD LYS 7 5.021 -11.796 6.691 57 1HE LYS 7 2HE LYS 7 6.295 -9.491 7.499 58 2HE LYS 7 3HE LYS 7 4.701 -9.224 8.176 59 1HZ LYS 7 1HZ LYS 7 5.324 -10.578 9.779 60 2HZ LYS 7 2HZ LYS 7 5.280 -11.825 8.726 61 3HZ LYS 7 3HZ LYS 7 6.685 -11.039 9.003 62 H GLY 8 HN GLY 8 2.301 -6.958 5.751 63 1HA GLY 8 1HA GLY 8 0.785 -8.390 7.584 64 2HA GLY 8 2HA GLY 8 0.540 -6.717 7.125 65 H ILE 9 HN ILE 9 -0.351 -6.653 4.589 66 HA ILE 9 HA ILE 9 -2.982 -7.457 4.766 67 HB ILE 9 HB ILE 9 -1.181 -6.511 2.588 68 1HG1 ILE 9 2HG1 ILE 9 -3.676 -5.495 3.960 69 2HG1 ILE 9 3HG1 ILE 9 -2.057 -4.829 4.027 70 1HG2 ILE 9 1HG2 ILE 9 -4.009 -7.491 2.105 71 2HG2 ILE 9 2HG2 ILE 9 -2.982 -6.617 0.943 72 3HG2 ILE 9 3HG2 ILE 9 -2.518 -8.246 1.492 73 1HD1 ILE 9 1HD1 ILE 9 -3.868 -4.929 1.571 74 2HD1 ILE 9 2HD1 ILE 9 -3.407 -3.480 2.498 75 3HD1 ILE 9 3HD1 ILE 9 -2.181 -4.359 1.552 76 H PHE 10 HN PHE 10 -0.178 -9.050 3.126 77 HA PHE 10 HA PHE 10 -1.512 -11.102 1.922 78 1HB PHE 10 2HB PHE 10 0.840 -10.893 1.535 79 2HB PHE 10 3HB PHE 10 1.190 -10.648 3.235 80 HD1 PHE 10 HD1 PHE 10 1.345 -12.574 4.761 81 HD2 PHE 10 HD2 PHE 10 0.737 -13.105 0.595 82 HE1 PHE 10 HE1 PHE 10 2.015 -14.984 4.970 83 HE2 PHE 10 HE2 PHE 10 1.407 -15.515 0.804 84 HZ PHE 10 HZ PHE 10 2.038 -16.425 2.989 85 H GLU 11 HN GLU 11 -0.081 -11.095 5.267 86 HA GLU 11 HA GLU 11 -0.973 -13.641 5.880 87 1HB GLU 11 2HB GLU 11 0.438 -11.513 7.175 88 2HB GLU 11 3HB GLU 11 -0.863 -11.979 8.253 89 1HG GLU 11 2HG GLU 11 0.073 -14.454 7.405 90 2HG GLU 11 3HG GLU 11 1.549 -13.510 7.430 91 H LYS 12 HN LYS 12 -2.473 -10.392 6.291 92 HA LYS 12 HA LYS 12 -4.617 -11.159 7.867 93 1HB LYS 12 2HB LYS 12 -3.711 -8.818 7.000 94 2HB LYS 12 3HB LYS 12 -4.944 -9.041 5.776 95 1HG LYS 12 2HG LYS 12 -6.093 -9.762 8.325 96 2HG LYS 12 3HG LYS 12 -5.281 -8.222 8.521 97 1HD LYS 12 2HD LYS 12 -6.487 -7.446 6.380 98 2HD LYS 12 3HD LYS 12 -7.437 -8.916 6.478 99 1HE LYS 12 2HE LYS 12 -7.857 -8.111 8.994 100 2HE LYS 12 3HE LYS 12 -7.422 -6.540 8.350 101 1HZ LYS 12 1HZ LYS 12 -9.815 -7.935 8.035 102 2HZ LYS 12 2HZ LYS 12 -9.452 -6.418 7.551 103 3HZ LYS 12 3HZ LYS 12 -9.168 -7.682 6.557 104 H TYR 13 HN TYR 13 -3.883 -11.792 4.491 105 HA TYR 13 HA TYR 13 -6.646 -12.562 3.963 106 1HB TYR 13 2HB TYR 13 -4.091 -11.887 2.516 107 2HB TYR 13 3HB TYR 13 -5.027 -13.155 1.751 108 HD1 TYR 13 HD1 TYR 13 -6.962 -12.650 0.469 109 HD2 TYR 13 HD2 TYR 13 -5.191 -9.625 2.921 110 HE1 TYR 13 HE1 TYR 13 -8.444 -10.893 -0.617 111 HE2 TYR 13 HE2 TYR 13 -6.679 -7.877 1.827 112 HH TYR 13 HH TYR 13 -8.831 -8.759 -0.843 113 H ALA 14 HN ALA 14 -3.329 -13.922 4.286 114 HA ALA 14 HA ALA 14 -4.035 -16.523 3.472 115 1HB ALA 14 1HB ALA 14 -1.833 -17.028 3.977 116 2HB ALA 14 2HB ALA 14 -1.716 -15.260 3.807 117 3HB ALA 14 3HB ALA 14 -1.814 -15.994 5.425 118 H ALA 15 HN ALA 15 -4.532 -14.666 6.409 119 HA ALA 15 HA ALA 15 -4.898 -17.013 8.045 120 1HB ALA 15 1HB ALA 15 -5.826 -14.313 8.921 121 2HB ALA 15 2HB ALA 15 -4.871 -15.534 9.796 122 3HB ALA 15 3HB ALA 15 -4.087 -14.491 8.586 123 H LYS 16 HN LYS 16 -6.738 -15.018 5.847 124 HA LYS 16 HA LYS 16 -9.264 -15.182 6.941 125 1HB LYS 16 2HB LYS 16 -8.102 -14.251 4.584 126 2HB LYS 16 3HB LYS 16 -9.231 -15.473 4.035 127 1HG LYS 16 2HG LYS 16 -10.967 -14.359 5.613 128 2HG LYS 16 3HG LYS 16 -9.832 -13.031 5.754 129 1HD LYS 16 2HD LYS 16 -10.122 -12.351 3.542 130 2HD LYS 16 3HD LYS 16 -10.467 -13.971 2.970 131 1HE LYS 16 2HE LYS 16 -12.580 -12.924 2.843 132 2HE LYS 16 3HE LYS 16 -12.676 -13.784 4.367 133 1HZ LYS 16 1HZ LYS 16 -12.586 -11.877 5.523 134 2HZ LYS 16 2HZ LYS 16 -11.605 -11.107 4.469 135 3HZ LYS 16 3HZ LYS 16 -13.201 -11.237 4.152 136 H GLU 17 HN GLU 17 -7.928 -17.364 4.354 137 HA GLU 17 HA GLU 17 -9.630 -19.428 5.520 138 1HB GLU 17 2HB GLU 17 -8.943 -18.780 2.643 139 2HB GLU 17 3HB GLU 17 -9.406 -20.413 3.082 140 1HG GLU 17 2HG GLU 17 -11.315 -18.774 4.376 141 2HG GLU 17 3HG GLU 17 -11.084 -18.018 2.812 142 H GLY 18 HN GLY 18 -8.640 -21.301 6.211 143 1HA GLY 18 1HA GLY 18 -7.033 -22.831 6.583 144 2HA GLY 18 2HA GLY 18 -6.289 -22.361 5.068 145 H ASP 19 HN ASP 19 -4.419 -22.977 6.785 146 HA ASP 19 HA ASP 19 -3.757 -21.202 8.756 147 1HB ASP 19 2HB ASP 19 -2.694 -23.508 7.858 148 2HB ASP 19 3HB ASP 19 -1.588 -22.420 7.045 149 HA PRO 20 HA PRO 20 -2.423 -17.764 6.360 150 1HB PRO 20 2HB PRO 20 -1.216 -16.284 8.316 151 2HB PRO 20 3HB PRO 20 -2.948 -16.287 8.047 152 1HG PRO 20 2HG PRO 20 -1.404 -17.604 10.196 153 2HG PRO 20 3HG PRO 20 -3.117 -17.238 10.142 154 1HD PRO 20 2HD PRO 20 -1.897 -19.801 9.734 155 2HD PRO 20 3HD PRO 20 -3.597 -19.411 9.566 156 H ASN 21 HN ASN 21 -0.462 -20.104 7.550 157 HA ASN 21 HA ASN 21 1.960 -18.767 6.794 158 1HB ASN 21 2HB ASN 21 1.344 -21.594 7.791 159 2HB ASN 21 3HB ASN 21 2.964 -21.078 7.366 160 1HD2 ASN 21 1HD2 ASN 21 3.844 -19.187 8.453 161 2HD2 ASN 21 2HD2 ASN 21 3.432 -18.872 10.106 162 H GLN 22 HN GLN 22 -0.570 -20.063 5.117 163 HA GLN 22 HA GLN 22 1.113 -20.711 2.892 164 1HB GLN 22 2HB GLN 22 -0.316 -22.856 2.490 165 2HB GLN 22 3HB GLN 22 1.002 -22.936 3.642 166 1HG GLN 22 2HG GLN 22 -1.258 -22.015 5.119 167 2HG GLN 22 3HG GLN 22 -1.855 -23.308 4.098 168 1HE2 GLN 22 1HE2 GLN 22 0.991 -22.509 6.088 169 2HE2 GLN 22 2HE2 GLN 22 1.174 -24.057 6.842 170 H LEU 23 HN LEU 23 0.198 -19.934 1.012 171 HA LEU 23 HA LEU 23 -2.424 -18.743 1.270 172 1HB LEU 23 2HB LEU 23 -0.128 -18.536 -0.630 173 2HB LEU 23 3HB LEU 23 -1.724 -18.072 -1.185 174 HG LEU 23 HG LEU 23 -0.142 -16.270 -0.217 175 1HD1 LEU 23 1HD1 LEU 23 -1.953 -14.907 0.278 176 2HD1 LEU 23 2HD1 LEU 23 -2.679 -16.173 -0.741 177 3HD1 LEU 23 3HD1 LEU 23 -2.880 -16.229 1.026 178 1HD2 LEU 23 1HD2 LEU 23 -0.610 -15.967 2.298 179 2HD2 LEU 23 2HD2 LEU 23 -1.007 -17.702 2.288 180 3HD2 LEU 23 3HD2 LEU 23 0.616 -17.157 1.801 181 H SER 24 HN SER 24 -4.025 -19.021 -0.572 182 HA SER 24 HA SER 24 -3.811 -21.659 -1.753 183 1HB SER 24 2HB SER 24 -6.273 -20.672 -0.245 184 2HB SER 24 3HB SER 24 -6.160 -22.183 -1.125 185 HG SER 24 HG SER 24 -4.194 -22.555 0.390 186 H LYS 25 HN LYS 25 -5.500 -21.947 -3.550 187 HA LYS 25 HA LYS 25 -5.383 -19.848 -5.323 188 1HB LYS 25 2HB LYS 25 -5.789 -22.236 -5.877 189 2HB LYS 25 3HB LYS 25 -7.416 -22.097 -5.242 190 1HG LYS 25 2HG LYS 25 -7.640 -20.060 -6.904 191 2HG LYS 25 3HG LYS 25 -6.227 -20.742 -7.685 192 1HD LYS 25 2HD LYS 25 -7.858 -22.983 -7.330 193 2HD LYS 25 3HD LYS 25 -9.023 -21.719 -7.669 194 1HE LYS 25 2HE LYS 25 -7.183 -21.132 -9.595 195 2HE LYS 25 3HE LYS 25 -6.878 -22.850 -9.437 196 1HZ LYS 25 1HZ LYS 25 -8.566 -22.805 -10.933 197 2HZ LYS 25 2HZ LYS 25 -9.439 -22.971 -9.562 198 3HZ LYS 25 3HZ LYS 25 -9.312 -21.508 -10.278 199 H GLU 26 HN GLU 26 -8.276 -20.935 -3.403 200 HA GLU 26 HA GLU 26 -9.881 -18.855 -4.155 201 1HB GLU 26 2HB GLU 26 -9.967 -21.027 -2.305 202 2HB GLU 26 3HB GLU 26 -10.415 -19.596 -1.398 203 1HG GLU 26 2HG GLU 26 -11.800 -19.288 -3.826 204 2HG GLU 26 3HG GLU 26 -11.904 -21.009 -3.515 205 H GLU 27 HN GLU 27 -7.515 -19.096 -1.444 206 HA GLU 27 HA GLU 27 -8.196 -16.719 -0.222 207 1HB GLU 27 2HB GLU 27 -5.849 -18.565 -0.225 208 2HB GLU 27 3HB GLU 27 -5.522 -16.936 0.333 209 1HG GLU 27 2HG GLU 27 -7.779 -17.324 1.738 210 2HG GLU 27 3HG GLU 27 -7.367 -19.013 1.514 211 H LEU 28 HN LEU 28 -5.497 -17.407 -2.568 212 HA LEU 28 HA LEU 28 -4.588 -14.828 -2.812 213 1HB LEU 28 2HB LEU 28 -3.697 -17.081 -3.707 214 2HB LEU 28 3HB LEU 28 -4.684 -16.752 -5.117 215 HG LEU 28 HG LEU 28 -3.276 -15.187 -5.918 216 1HD1 LEU 28 1HD1 LEU 28 -2.586 -14.312 -3.099 217 2HD1 LEU 28 2HD1 LEU 28 -2.098 -13.503 -4.607 218 3HD1 LEU 28 3HD1 LEU 28 -3.817 -13.574 -4.151 219 1HD2 LEU 28 1HD2 LEU 28 -0.973 -15.673 -5.530 220 2HD2 LEU 28 2HD2 LEU 28 -1.320 -16.340 -3.917 221 3HD2 LEU 28 3HD2 LEU 28 -1.879 -17.197 -5.373 222 H LYS 29 HN LYS 29 -7.221 -16.506 -4.640 223 HA LYS 29 HA LYS 29 -7.837 -14.691 -6.507 224 1HB LYS 29 2HB LYS 29 -9.005 -16.820 -6.178 225 2HB LYS 29 3HB LYS 29 -9.786 -16.198 -4.737 226 1HG LYS 29 2HG LYS 29 -10.991 -14.508 -6.024 227 2HG LYS 29 3HG LYS 29 -10.064 -14.864 -7.468 228 1HD LYS 29 2HD LYS 29 -11.039 -17.353 -6.998 229 2HD LYS 29 3HD LYS 29 -12.302 -16.430 -6.209 230 1HE LYS 29 2HE LYS 29 -12.176 -14.981 -8.477 231 2HE LYS 29 3HE LYS 29 -11.518 -16.472 -9.122 232 1HZ LYS 29 1HZ LYS 29 -14.143 -16.038 -7.918 233 2HZ LYS 29 2HZ LYS 29 -13.783 -16.676 -9.377 234 3HZ LYS 29 3HZ LYS 29 -13.515 -17.542 -8.018 235 H LEU 30 HN LEU 30 -9.020 -14.558 -3.073 236 HA LEU 30 HA LEU 30 -10.376 -12.173 -3.297 237 1HB LEU 30 2HB LEU 30 -8.882 -13.287 -0.919 238 2HB LEU 30 3HB LEU 30 -10.088 -12.017 -0.860 239 HG LEU 30 HG LEU 30 -10.465 -14.948 -1.447 240 1HD1 LEU 30 1HD1 LEU 30 -10.525 -13.901 0.903 241 2HD1 LEU 30 2HD1 LEU 30 -12.085 -13.205 0.401 242 3HD1 LEU 30 3HD1 LEU 30 -11.863 -14.971 0.420 243 1HD2 LEU 30 1HD2 LEU 30 -12.881 -14.368 -1.934 244 2HD2 LEU 30 2HD2 LEU 30 -12.340 -12.688 -2.162 245 3HD2 LEU 30 3HD2 LEU 30 -11.705 -13.977 -3.212 246 H LEU 31 HN LEU 31 -6.948 -12.699 -2.204 247 HA LEU 31 HA LEU 31 -6.284 -10.059 -1.891 248 1HB LEU 31 2HB LEU 31 -5.022 -12.309 -1.445 249 2HB LEU 31 3HB LEU 31 -4.331 -12.022 -3.030 250 HG LEU 31 HG LEU 31 -4.042 -9.580 -1.673 251 1HD1 LEU 31 1HD1 LEU 31 -2.570 -10.719 0.279 252 2HD1 LEU 31 2HD1 LEU 31 -4.244 -10.155 0.500 253 3HD1 LEU 31 3HD1 LEU 31 -3.917 -11.878 0.193 254 1HD2 LEU 31 1HD2 LEU 31 -1.856 -9.803 -2.253 255 2HD2 LEU 31 2HD2 LEU 31 -1.766 -11.501 -1.726 256 3HD2 LEU 31 3HD2 LEU 31 -2.538 -11.090 -3.276 257 H LEU 32 HN LEU 32 -5.612 -12.074 -4.846 258 HA LEU 32 HA LEU 32 -4.751 -10.035 -6.446 259 1HB LEU 32 2HB LEU 32 -6.357 -12.470 -7.234 260 2HB LEU 32 3HB LEU 32 -5.417 -11.472 -8.325 261 HG LEU 32 HG LEU 32 -4.289 -13.082 -6.017 262 1HD1 LEU 32 1HD1 LEU 32 -4.966 -14.670 -7.593 263 2HD1 LEU 32 2HD1 LEU 32 -4.504 -13.642 -8.971 264 3HD1 LEU 32 3HD1 LEU 32 -3.246 -14.395 -7.960 265 1HD2 LEU 32 1HD2 LEU 32 -2.761 -11.372 -6.241 266 2HD2 LEU 32 2HD2 LEU 32 -2.117 -12.576 -7.383 267 3HD2 LEU 32 3HD2 LEU 32 -3.053 -11.188 -7.987 268 H GLN 33 HN GLN 33 -7.947 -10.615 -5.166 269 HA GLN 33 HA GLN 33 -9.350 -9.278 -7.197 270 1HB GLN 33 2HB GLN 33 -10.036 -10.824 -5.020 271 2HB GLN 33 3HB GLN 33 -10.493 -9.231 -4.450 272 1HG GLN 33 2HG GLN 33 -11.699 -8.933 -6.732 273 2HG GLN 33 3HG GLN 33 -11.467 -10.655 -6.960 274 1HE2 GLN 33 1HE2 GLN 33 -12.053 -11.997 -4.951 275 2HE2 GLN 33 2HE2 GLN 33 -13.575 -11.643 -4.204 276 H THR 34 HN THR 34 -8.405 -8.280 -3.823 277 HA THR 34 HA THR 34 -8.956 -5.512 -4.520 278 HB THR 34 HB THR 34 -8.690 -7.200 -2.083 279 HG1 THR 34 HG1 THR 34 -10.585 -5.997 -3.086 280 1HG2 THR 34 1HG2 THR 34 -8.069 -5.316 -0.622 281 2HG2 THR 34 2HG2 THR 34 -6.741 -5.600 -1.773 282 3HG2 THR 34 3HG2 THR 34 -7.871 -4.249 -2.033 283 H GLU 35 HN GLU 35 -6.153 -7.516 -3.400 284 HA GLU 35 HA GLU 35 -4.289 -5.586 -3.323 285 1HB GLU 35 2HB GLU 35 -3.795 -7.872 -2.673 286 2HB GLU 35 3HB GLU 35 -4.055 -8.460 -4.304 287 1HG GLU 35 2HG GLU 35 -2.119 -6.483 -4.684 288 2HG GLU 35 3HG GLU 35 -1.666 -7.158 -3.132 289 H PHE 36 HN PHE 36 -4.978 -7.645 -6.251 290 HA PHE 36 HA PHE 36 -4.552 -5.325 -7.918 291 1HB PHE 36 2HB PHE 36 -2.814 -7.842 -7.780 292 2HB PHE 36 3HB PHE 36 -2.934 -6.952 -9.285 293 HD1 PHE 36 HD1 PHE 36 -0.819 -7.439 -6.716 294 HD2 PHE 36 HD2 PHE 36 -2.762 -4.205 -8.659 295 HE1 PHE 36 HE1 PHE 36 0.994 -5.885 -5.942 296 HE2 PHE 36 HE2 PHE 36 -0.949 -2.651 -7.885 297 HZ PHE 36 HZ PHE 36 0.907 -3.509 -6.535 298 HA PRO 37 HA PRO 37 -7.742 -8.012 -9.532 299 1HB PRO 37 2HB PRO 37 -9.471 -6.034 -10.282 300 2HB PRO 37 3HB PRO 37 -9.524 -6.807 -8.711 301 1HG PRO 37 2HG PRO 37 -8.520 -4.119 -9.422 302 2HG PRO 37 3HG PRO 37 -8.972 -4.741 -7.847 303 1HD PRO 37 2HD PRO 37 -6.309 -4.368 -8.844 304 2HD PRO 37 3HD PRO 37 -6.764 -5.097 -7.316 305 H SER 38 HN SER 38 -5.938 -5.442 -10.873 306 HA SER 38 HA SER 38 -6.847 -5.759 -13.493 307 1HB SER 38 2HB SER 38 -4.600 -4.605 -14.035 308 2HB SER 38 3HB SER 38 -5.721 -3.730 -13.012 309 HG SER 38 HG SER 38 -3.767 -5.434 -11.790 310 H LEU 39 HN LEU 39 -4.439 -7.424 -11.472 311 HA LEU 39 HA LEU 39 -3.058 -8.670 -13.600 312 1HB LEU 39 2HB LEU 39 -2.908 -8.503 -10.764 313 2HB LEU 39 3HB LEU 39 -2.935 -10.201 -11.194 314 HG LEU 39 HG LEU 39 -0.665 -8.989 -10.981 315 1HD1 LEU 39 1HD1 LEU 39 -1.445 -11.255 -12.264 316 2HD1 LEU 39 2HD1 LEU 39 -0.655 -10.368 -13.589 317 3HD1 LEU 39 3HD1 LEU 39 0.243 -10.717 -12.093 318 1HD2 LEU 39 1HD2 LEU 39 0.144 -7.686 -12.725 319 2HD2 LEU 39 2HD2 LEU 39 -1.120 -8.226 -13.855 320 3HD2 LEU 39 3HD2 LEU 39 -1.528 -7.105 -12.534 321 H LEU 40 HN LEU 40 -6.171 -9.147 -12.103 322 HA LEU 40 HA LEU 40 -6.361 -11.924 -12.723 323 1HB LEU 40 2HB LEU 40 -8.403 -9.842 -11.943 324 2HB LEU 40 3HB LEU 40 -8.780 -11.535 -12.192 325 HG LEU 40 HG LEU 40 -6.741 -10.581 -10.169 326 1HD1 LEU 40 1HD1 LEU 40 -9.625 -10.380 -10.074 327 2HD1 LEU 40 2HD1 LEU 40 -9.019 -11.467 -8.801 328 3HD1 LEU 40 3HD1 LEU 40 -8.401 -9.802 -8.917 329 1HD2 LEU 40 1HD2 LEU 40 -6.274 -12.807 -10.471 330 2HD2 LEU 40 2HD2 LEU 40 -7.501 -12.898 -9.183 331 3HD2 LEU 40 3HD2 LEU 40 -7.957 -13.225 -10.873 332 H LYS 41 HN LYS 41 -6.885 -8.858 -14.402 333 HA LYS 41 HA LYS 41 -8.563 -9.928 -16.420 334 1HB LYS 41 2HB LYS 41 -6.891 -7.406 -16.259 335 2HB LYS 41 3HB LYS 41 -7.955 -7.783 -17.599 336 1HG LYS 41 2HG LYS 41 -9.643 -8.227 -15.457 337 2HG LYS 41 3HG LYS 41 -8.632 -6.946 -14.819 338 1HD LYS 41 2HD LYS 41 -9.147 -5.501 -16.741 339 2HD LYS 41 3HD LYS 41 -10.012 -6.800 -17.539 340 1HE LYS 41 2HE LYS 41 -11.888 -6.565 -16.205 341 2HE LYS 41 3HE LYS 41 -10.957 -6.162 -14.776 342 1HZ LYS 41 1HZ LYS 41 -11.056 -4.276 -16.994 343 2HZ LYS 41 2HZ LYS 41 -12.310 -4.358 -15.951 344 3HZ LYS 41 3HZ LYS 41 -10.817 -3.983 -15.405 345 H GLY 42 HN GLY 42 -5.048 -9.697 -15.880 346 1HA GLY 42 1HA GLY 42 -3.950 -10.000 -18.322 347 2HA GLY 42 2HA GLY 42 -3.381 -10.841 -16.894 348 H MET 43 HN MET 43 -3.033 -12.046 -19.370 349 HA MET 43 HA MET 43 -5.215 -13.711 -20.013 350 1HB MET 43 2HB MET 43 -2.223 -13.902 -20.678 351 2HB MET 43 3HB MET 43 -3.468 -14.847 -21.469 352 1HG MET 43 2HG MET 43 -3.722 -13.145 -22.953 353 2HG MET 43 3HG MET 43 -4.398 -12.181 -21.656 354 1HE MET 43 1HE MET 43 -1.692 -10.866 -24.219 355 2HE MET 43 2HE MET 43 -3.430 -11.057 -23.886 356 3HE MET 43 3HE MET 43 -2.543 -9.667 -23.216 357 H SER 44 HN SER 44 -3.221 -13.692 -17.326 358 HA SER 44 HA SER 44 -2.957 -16.561 -17.194 359 1HB SER 44 2HB SER 44 -2.042 -14.319 -15.342 360 2HB SER 44 3HB SER 44 -1.791 -16.017 -14.991 361 HG SER 44 HG SER 44 -0.671 -14.438 -17.121 362 H THR 45 HN THR 45 -4.984 -17.471 -16.787 363 HA THR 45 HA THR 45 -6.925 -16.238 -15.150 364 HB THR 45 HB THR 45 -8.049 -18.464 -15.431 365 HG1 THR 45 HG1 THR 45 -6.708 -20.173 -15.953 366 1HG2 THR 45 1HG2 THR 45 -8.365 -17.230 -17.441 367 2HG2 THR 45 2HG2 THR 45 -6.625 -17.226 -17.816 368 3HG2 THR 45 3HG2 THR 45 -7.576 -18.716 -18.022 369 H LEU 46 HN LEU 46 -7.906 -17.473 -13.199 370 HA LEU 46 HA LEU 46 -6.158 -17.233 -11.102 371 1HB LEU 46 2HB LEU 46 -8.791 -17.507 -11.334 372 2HB LEU 46 3HB LEU 46 -8.418 -19.165 -10.903 373 HG LEU 46 HG LEU 46 -7.519 -18.535 -8.795 374 1HD1 LEU 46 1HD1 LEU 46 -7.359 -15.810 -10.005 375 2HD1 LEU 46 2HD1 LEU 46 -7.609 -15.944 -8.247 376 3HD1 LEU 46 3HD1 LEU 46 -6.184 -16.696 -9.004 377 1HD2 LEU 46 1HD2 LEU 46 -10.172 -17.882 -9.561 378 2HD2 LEU 46 2HD2 LEU 46 -9.562 -18.355 -7.957 379 3HD2 LEU 46 3HD2 LEU 46 -9.625 -16.636 -8.414 380 H ASP 47 HN ASP 47 -7.413 -20.385 -12.419 381 HA ASP 47 HA ASP 47 -5.868 -22.043 -11.031 382 1HB ASP 47 2HB ASP 47 -7.416 -22.165 -13.397 383 2HB ASP 47 3HB ASP 47 -5.860 -22.819 -13.867 384 H GLU 48 HN GLU 48 -5.025 -20.452 -14.199 385 HA GLU 48 HA GLU 48 -2.540 -21.541 -14.497 386 1HB GLU 48 2HB GLU 48 -4.083 -19.360 -15.640 387 2HB GLU 48 3HB GLU 48 -2.410 -18.865 -15.477 388 1HG GLU 48 2HG GLU 48 -1.972 -21.335 -16.484 389 2HG GLU 48 3HG GLU 48 -3.583 -21.093 -17.130 390 H LEU 49 HN LEU 49 -3.541 -18.538 -12.745 391 HA LEU 49 HA LEU 49 -0.931 -17.762 -12.062 392 1HB LEU 49 2HB LEU 49 -3.461 -16.700 -11.892 393 2HB LEU 49 3HB LEU 49 -3.072 -17.001 -10.210 394 HG LEU 49 HG LEU 49 -0.843 -15.730 -11.575 395 1HD1 LEU 49 1HD1 LEU 49 -3.348 -14.046 -11.481 396 2HD1 LEU 49 2HD1 LEU 49 -1.766 -13.653 -12.196 397 3HD1 LEU 49 3HD1 LEU 49 -2.805 -14.883 -12.955 398 1HD2 LEU 49 1HD2 LEU 49 -2.194 -15.702 -9.033 399 2HD2 LEU 49 2HD2 LEU 49 -0.555 -15.150 -9.454 400 3HD2 LEU 49 3HD2 LEU 49 -1.935 -14.037 -9.605 401 H PHE 50 HN PHE 50 -3.403 -19.835 -10.458 402 HA PHE 50 HA PHE 50 -2.102 -20.137 -8.038 403 1HB PHE 50 2HB PHE 50 -4.449 -20.869 -8.741 404 2HB PHE 50 3HB PHE 50 -3.734 -22.135 -9.719 405 HD1 PHE 50 HD1 PHE 50 -3.901 -24.232 -8.804 406 HD2 PHE 50 HD2 PHE 50 -3.365 -20.928 -6.194 407 HE1 PHE 50 HE1 PHE 50 -3.947 -25.783 -6.831 408 HE2 PHE 50 HE2 PHE 50 -3.412 -22.479 -4.221 409 HZ PHE 50 HZ PHE 50 -3.702 -24.888 -4.563 410 H GLU 51 HN GLU 51 -1.916 -22.190 -11.032 411 HA GLU 51 HA GLU 51 0.001 -23.892 -9.883 412 1HB GLU 51 2HB GLU 51 -1.450 -23.634 -12.413 413 2HB GLU 51 3HB GLU 51 0.218 -24.091 -12.695 414 1HG GLU 51 2HG GLU 51 -0.380 -25.748 -10.588 415 2HG GLU 51 3HG GLU 51 -1.963 -25.613 -11.328 416 H GLU 52 HN GLU 52 0.107 -20.883 -11.794 417 HA GLU 52 HA GLU 52 2.783 -21.089 -12.541 418 1HB GLU 52 2HB GLU 52 1.126 -19.550 -13.594 419 2HB GLU 52 3HB GLU 52 1.069 -18.600 -12.124 420 1HG GLU 52 2HG GLU 52 3.715 -18.484 -12.448 421 2HG GLU 52 3HG GLU 52 3.332 -18.878 -14.112 422 H LEU 53 HN LEU 53 1.166 -19.267 -9.840 423 HA LEU 53 HA LEU 53 3.476 -18.249 -8.716 424 1HB LEU 53 2HB LEU 53 0.913 -19.057 -7.336 425 2HB LEU 53 3HB LEU 53 2.133 -17.974 -6.695 426 HG LEU 53 HG LEU 53 0.885 -17.296 -9.331 427 1HD1 LEU 53 1HD1 LEU 53 -0.713 -15.976 -7.488 428 2HD1 LEU 53 2HD1 LEU 53 -1.187 -17.348 -8.518 429 3HD1 LEU 53 3HD1 LEU 53 -0.616 -17.638 -6.857 430 1HD2 LEU 53 1HD2 LEU 53 2.240 -15.562 -8.967 431 2HD2 LEU 53 2HD2 LEU 53 1.040 -15.030 -7.765 432 3HD2 LEU 53 3HD2 LEU 53 2.457 -15.975 -7.249 433 H ASP 54 HN ASP 54 1.706 -21.323 -7.953 434 HA ASP 54 HA ASP 54 3.524 -22.127 -6.025 435 1HB ASP 54 2HB ASP 54 1.241 -23.089 -6.337 436 2HB ASP 54 3HB ASP 54 1.740 -23.796 -7.861 437 H LYS 55 HN LYS 55 5.727 -22.290 -6.576 438 HA LYS 55 HA LYS 55 6.338 -23.800 -9.022 439 1HB LYS 55 2HB LYS 55 7.006 -21.200 -8.534 440 2HB LYS 55 3HB LYS 55 8.418 -22.020 -7.899 441 1HG LYS 55 2HG LYS 55 7.867 -23.374 -10.317 442 2HG LYS 55 3HG LYS 55 7.559 -21.689 -10.691 443 1HD LYS 55 2HD LYS 55 9.863 -21.855 -11.120 444 2HD LYS 55 3HD LYS 55 9.854 -21.234 -9.481 445 1HE LYS 55 2HE LYS 55 10.448 -23.324 -8.536 446 2HE LYS 55 3HE LYS 55 9.861 -24.232 -9.916 447 1HZ LYS 55 1HZ LYS 55 12.387 -23.717 -9.559 448 2HZ LYS 55 2HZ LYS 55 11.745 -23.842 -11.056 449 3HZ LYS 55 3HZ LYS 55 12.016 -22.370 -10.404 450 H ASN 56 HN ASN 56 5.955 -24.212 -5.816 451 HA ASN 56 HA ASN 56 8.451 -25.651 -5.476 452 1HB ASN 56 2HB ASN 56 7.232 -25.921 -3.060 453 2HB ASN 56 3HB ASN 56 8.186 -24.510 -3.469 454 1HD2 ASN 56 1HD2 ASN 56 4.922 -25.698 -4.280 455 2HD2 ASN 56 2HD2 ASN 56 4.053 -24.263 -3.846 456 H GLY 57 HN GLY 57 5.096 -25.989 -6.277 457 1HA GLY 57 1HA GLY 57 3.736 -27.750 -6.581 458 2HA GLY 57 2HA GLY 57 5.182 -28.733 -6.708 459 H ASP 58 HN ASP 58 3.035 -27.142 -4.254 460 HA ASP 58 HA ASP 58 3.300 -29.562 -2.688 461 1HB ASP 58 2HB ASP 58 3.239 -27.804 -0.650 462 2HB ASP 58 3HB ASP 58 4.747 -28.366 -1.343 463 H GLY 59 HN GLY 59 1.924 -26.195 -2.348 464 1HA GLY 59 1HA GLY 59 -0.582 -26.305 -3.070 465 2HA GLY 59 2HA GLY 59 -0.682 -27.357 -1.672 466 H GLU 60 HN GLU 60 1.351 -24.401 -2.208 467 HA GLU 60 HA GLU 60 -0.312 -22.797 -0.609 468 1HB GLU 60 2HB GLU 60 1.251 -22.485 1.309 469 2HB GLU 60 3HB GLU 60 0.600 -24.110 1.240 470 1HG GLU 60 2HG GLU 60 2.695 -24.862 0.043 471 2HG GLU 60 3HG GLU 60 3.347 -23.244 0.218 472 H VAL 61 HN VAL 61 -0.022 -20.762 -1.416 473 HA VAL 61 HA VAL 61 2.434 -20.265 -2.898 474 HB VAL 61 HB VAL 61 -0.269 -18.933 -2.765 475 1HG1 VAL 61 1HG1 VAL 61 2.266 -17.732 -3.450 476 2HG1 VAL 61 2HG1 VAL 61 1.221 -17.814 -4.888 477 3HG1 VAL 61 3HG1 VAL 61 0.643 -17.003 -3.413 478 1HG2 VAL 61 1HG2 VAL 61 -0.651 -19.786 -4.891 479 2HG2 VAL 61 2HG2 VAL 61 1.082 -19.997 -5.236 480 3HG2 VAL 61 3HG2 VAL 61 0.256 -21.107 -4.117 481 H SER 62 HN SER 62 3.375 -20.374 -0.500 482 HA SER 62 HA SER 62 2.933 -18.479 1.340 483 1HB SER 62 2HB SER 62 5.711 -18.681 1.374 484 2HB SER 62 3HB SER 62 4.596 -19.762 2.188 485 HG SER 62 HG SER 62 5.584 -20.111 -0.516 486 H PHE 63 HN PHE 63 4.644 -16.601 1.901 487 HA PHE 63 HA PHE 63 4.240 -14.582 0.062 488 1HB PHE 63 2HB PHE 63 4.898 -14.602 2.602 489 2HB PHE 63 3HB PHE 63 6.548 -14.859 2.070 490 HD1 PHE 63 HD1 PHE 63 3.832 -12.599 0.850 491 HD2 PHE 63 HD2 PHE 63 7.768 -12.935 2.399 492 HE1 PHE 63 HE1 PHE 63 4.140 -10.120 0.607 493 HE2 PHE 63 HE2 PHE 63 8.076 -10.456 2.156 494 HZ PHE 63 HZ PHE 63 6.258 -9.078 1.262 495 H GLU 64 HN GLU 64 6.523 -17.189 -0.003 496 HA GLU 64 HA GLU 64 8.608 -15.843 -1.299 497 1HB GLU 64 2HB GLU 64 8.124 -18.776 -1.771 498 2HB GLU 64 3HB GLU 64 9.628 -17.939 -1.442 499 1HG GLU 64 2HG GLU 64 7.472 -18.791 0.505 500 2HG GLU 64 3HG GLU 64 9.198 -19.084 0.584 501 H GLU 65 HN GLU 65 6.057 -18.119 -2.556 502 HA GLU 65 HA GLU 65 6.722 -17.760 -5.209 503 1HB GLU 65 2HB GLU 65 4.061 -18.516 -3.926 504 2HB GLU 65 3HB GLU 65 4.392 -18.657 -5.641 505 1HG GLU 65 2HG GLU 65 5.637 -20.553 -5.366 506 2HG GLU 65 3HG GLU 65 6.510 -19.891 -3.999 507 H PHE 66 HN PHE 66 4.859 -15.771 -2.959 508 HA PHE 66 HA PHE 66 3.326 -14.338 -4.776 509 1HB PHE 66 2HB PHE 66 3.218 -14.370 -2.224 510 2HB PHE 66 3HB PHE 66 4.731 -13.488 -2.171 511 HD1 PHE 66 HD1 PHE 66 1.271 -13.211 -3.527 512 HD2 PHE 66 HD2 PHE 66 4.696 -11.170 -2.076 513 HE1 PHE 66 HE1 PHE 66 0.010 -11.042 -3.602 514 HE2 PHE 66 HE2 PHE 66 3.436 -9.001 -2.151 515 HZ PHE 66 HZ PHE 66 1.108 -8.962 -2.914 516 H GLN 67 HN GLN 67 6.733 -13.944 -3.691 517 HA GLN 67 HA GLN 67 7.119 -11.429 -4.758 518 1HB GLN 67 2HB GLN 67 9.249 -13.596 -4.619 519 2HB GLN 67 3HB GLN 67 9.476 -11.864 -4.484 520 1HG GLN 67 2HG GLN 67 7.834 -12.075 -2.412 521 2HG GLN 67 3HG GLN 67 8.266 -13.772 -2.464 522 1HE2 GLN 67 1HE2 GLN 67 9.725 -10.531 -2.578 523 2HE2 GLN 67 2HE2 GLN 67 11.129 -10.885 -1.628 524 H VAL 68 HN VAL 68 6.548 -14.456 -6.316 525 HA VAL 68 HA VAL 68 8.066 -13.929 -8.674 526 HB VAL 68 HB VAL 68 5.769 -15.840 -8.219 527 1HG1 VAL 68 1HG1 VAL 68 6.046 -16.367 -10.368 528 2HG1 VAL 68 2HG1 VAL 68 7.404 -15.226 -10.515 529 3HG1 VAL 68 3HG1 VAL 68 7.701 -16.901 -9.990 530 1HG2 VAL 68 1HG2 VAL 68 7.999 -15.850 -6.705 531 2HG2 VAL 68 2HG2 VAL 68 7.145 -17.333 -7.196 532 3HG2 VAL 68 3HG2 VAL 68 8.584 -16.796 -8.095 533 H LEU 69 HN LEU 69 4.724 -13.359 -7.516 534 HA LEU 69 HA LEU 69 3.813 -12.504 -10.084 535 1HB LEU 69 2HB LEU 69 2.537 -13.521 -8.034 536 2HB LEU 69 3HB LEU 69 2.448 -11.853 -7.501 537 HG LEU 69 HG LEU 69 1.335 -11.251 -9.644 538 1HD1 LEU 69 1HD1 LEU 69 0.322 -13.555 -10.687 539 2HD1 LEU 69 2HD1 LEU 69 1.719 -12.667 -11.343 540 3HD1 LEU 69 3HD1 LEU 69 1.976 -14.060 -10.265 541 1HD2 LEU 69 1HD2 LEU 69 -0.776 -11.848 -8.928 542 2HD2 LEU 69 2HD2 LEU 69 -0.263 -13.472 -8.410 543 3HD2 LEU 69 3HD2 LEU 69 0.184 -12.047 -7.442 544 H VAL 70 HN VAL 70 5.172 -10.998 -7.135 545 HA VAL 70 HA VAL 70 4.527 -8.378 -7.595 546 HB VAL 70 HB VAL 70 6.817 -9.808 -6.309 547 1HG1 VAL 70 1HG1 VAL 70 7.838 -7.815 -7.340 548 2HG1 VAL 70 2HG1 VAL 70 6.624 -6.786 -6.543 549 3HG1 VAL 70 3HG1 VAL 70 7.800 -7.695 -5.564 550 1HG2 VAL 70 1HG2 VAL 70 5.308 -7.773 -4.818 551 2HG2 VAL 70 2HG2 VAL 70 4.295 -9.082 -5.472 552 3HG2 VAL 70 3HG2 VAL 70 5.668 -9.467 -4.407 553 H LYS 71 HN LYS 71 6.626 -10.511 -9.426 554 HA LYS 71 HA LYS 71 8.191 -8.470 -10.617 555 1HB LYS 71 2HB LYS 71 8.337 -11.200 -10.441 556 2HB LYS 71 3HB LYS 71 7.809 -10.996 -12.100 557 1HG LYS 71 2HG LYS 71 9.729 -9.058 -12.015 558 2HG LYS 71 3HG LYS 71 10.377 -10.145 -10.803 559 1HD LYS 71 2HD LYS 71 11.334 -11.114 -12.675 560 2HD LYS 71 3HD LYS 71 9.823 -12.003 -12.667 561 1HE LYS 71 2HE LYS 71 9.205 -9.629 -14.065 562 2HE LYS 71 3HE LYS 71 10.816 -10.039 -14.621 563 1HZ LYS 71 1HZ LYS 71 10.082 -11.936 -15.552 564 2HZ LYS 71 2HZ LYS 71 8.904 -12.200 -14.453 565 3HZ LYS 71 3HZ LYS 71 8.678 -11.108 -15.646 566 H LYS 72 HN LYS 72 5.146 -10.196 -11.479 567 HA LYS 72 HA LYS 72 4.928 -8.931 -14.004 568 1HB LYS 72 2HB LYS 72 2.949 -10.433 -12.271 569 2HB LYS 72 3HB LYS 72 2.569 -9.828 -13.871 570 1HG LYS 72 2HG LYS 72 4.931 -11.676 -13.298 571 2HG LYS 72 3HG LYS 72 3.353 -12.258 -13.788 572 1HD LYS 72 2HD LYS 72 3.814 -10.325 -15.709 573 2HD LYS 72 3HD LYS 72 5.448 -10.878 -15.399 574 1HE LYS 72 2HE LYS 72 3.756 -13.210 -15.543 575 2HE LYS 72 3HE LYS 72 3.370 -12.193 -16.917 576 1HZ LYS 72 1HZ LYS 72 5.905 -12.041 -17.132 577 2HZ LYS 72 2HZ LYS 72 5.928 -13.391 -16.213 578 3HZ LYS 72 3HZ LYS 72 5.149 -13.393 -17.649 579 H ILE 73 HN ILE 73 3.583 -8.306 -10.712 580 HA ILE 73 HA ILE 73 2.099 -6.046 -11.615 581 HB ILE 73 HB ILE 73 2.849 -6.935 -8.828 582 1HG1 ILE 73 2HG1 ILE 73 0.161 -7.409 -10.065 583 2HG1 ILE 73 3HG1 ILE 73 1.480 -8.483 -10.487 584 1HG2 ILE 73 1HG2 ILE 73 1.906 -5.059 -8.119 585 2HG2 ILE 73 2HG2 ILE 73 1.543 -4.568 -9.791 586 3HG2 ILE 73 3HG2 ILE 73 0.378 -5.561 -8.882 587 1HD1 ILE 73 1HD1 ILE 73 0.945 -7.817 -7.577 588 2HD1 ILE 73 2HD1 ILE 73 -0.007 -9.070 -8.409 589 3HD1 ILE 73 3HD1 ILE 73 1.759 -9.243 -8.265 590 H SER 74 HN SER 74 5.396 -6.626 -11.271 591 HA SER 74 HA SER 74 5.984 -4.006 -10.239 592 1HB SER 74 2HB SER 74 7.525 -6.507 -10.822 593 2HB SER 74 3HB SER 74 8.413 -5.003 -10.966 594 HG SER 74 HG SER 74 7.336 -6.255 -8.670 595 H GLN 75 HN GLN 75 6.219 -5.930 -13.282 596 HA GLN 75 HA GLN 75 7.525 -3.894 -14.706 597 1HB GLN 75 2HB GLN 75 7.036 -6.560 -15.132 598 2HB GLN 75 3HB GLN 75 5.858 -5.853 -16.220 599 1HG GLN 75 2HG GLN 75 7.471 -4.940 -17.612 600 2HG GLN 75 3HG GLN 75 8.587 -4.624 -16.298 601 1HE2 GLN 75 1HE2 GLN 75 9.046 -6.901 -15.082 602 2HE2 GLN 75 2HE2 GLN 75 9.707 -8.115 -16.126 Start of MODEL 6 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.854 0.755 -1.157 3 1HB LYS 1 2HB LYS 1 2.228 -2.126 -0.915 4 2HB LYS 1 3HB LYS 1 2.743 -1.614 -2.509 5 1HG LYS 1 2HG LYS 1 4.431 -0.314 -0.547 6 2HG LYS 1 3HG LYS 1 4.364 -2.024 -0.170 7 1HD LYS 1 2HD LYS 1 6.048 -2.143 -1.736 8 2HD LYS 1 3HD LYS 1 4.703 -2.220 -2.856 9 1HE LYS 1 2HE LYS 1 5.341 0.565 -2.181 10 2HE LYS 1 3HE LYS 1 6.754 -0.267 -2.800 11 1HZ LYS 1 1HZ LYS 1 4.158 -0.431 -4.148 12 2HZ LYS 1 2HZ LYS 1 5.228 0.759 -4.472 13 3HZ LYS 1 3HZ LYS 1 5.630 -0.799 -4.753 14 H SER 2 HN SER 2 -0.052 -1.245 -2.052 15 HA SER 2 HA SER 2 -0.259 -0.128 -4.572 16 1HB SER 2 2HB SER 2 -1.836 -1.898 -2.834 17 2HB SER 2 3HB SER 2 -2.865 -0.889 -3.831 18 HG SER 2 HG SER 2 -1.916 -3.087 -4.666 19 HA PRO 3 HA PRO 3 -2.177 3.686 -3.717 20 1HB PRO 3 2HB PRO 3 -3.301 4.259 -6.142 21 2HB PRO 3 3HB PRO 3 -1.606 4.523 -5.785 22 1HG PRO 3 2HG PRO 3 -2.847 2.389 -7.411 23 2HG PRO 3 3HG PRO 3 -1.177 2.920 -7.388 24 1HD PRO 3 2HD PRO 3 -2.243 0.554 -6.166 25 2HD PRO 3 3HD PRO 3 -0.598 1.146 -6.045 26 H GLU 4 HN GLU 4 -4.217 1.334 -5.343 27 HA GLU 4 HA GLU 4 -6.597 2.564 -4.662 28 1HB GLU 4 2HB GLU 4 -5.796 0.273 -6.065 29 2HB GLU 4 3HB GLU 4 -6.736 -0.378 -4.737 30 1HG GLU 4 2HG GLU 4 -7.954 2.011 -6.030 31 2HG GLU 4 3HG GLU 4 -7.803 0.624 -7.090 32 H GLU 5 HN GLU 5 -4.358 0.524 -2.821 33 HA GLU 5 HA GLU 5 -6.171 -0.280 -0.863 34 1HB GLU 5 2HB GLU 5 -3.247 -0.324 -1.292 35 2HB GLU 5 3HB GLU 5 -3.684 -0.190 0.400 36 1HG GLU 5 2HG GLU 5 -5.475 -2.121 -0.515 37 2HG GLU 5 3HG GLU 5 -4.044 -2.468 -1.465 38 H LEU 6 HN LEU 6 -4.203 2.661 -1.348 39 HA LEU 6 HA LEU 6 -4.352 3.685 1.229 40 1HB LEU 6 2HB LEU 6 -4.196 5.071 -1.450 41 2HB LEU 6 3HB LEU 6 -3.988 5.876 0.093 42 HG LEU 6 HG LEU 6 -2.251 3.557 -0.774 43 1HD1 LEU 6 1HD1 LEU 6 -2.333 6.148 -1.941 44 2HD1 LEU 6 2HD1 LEU 6 -0.850 6.036 -0.963 45 3HD1 LEU 6 3HD1 LEU 6 -1.173 4.830 -2.231 46 1HD2 LEU 6 1HD2 LEU 6 -2.549 4.740 1.689 47 2HD2 LEU 6 2HD2 LEU 6 -1.122 3.832 1.135 48 3HD2 LEU 6 3HD2 LEU 6 -1.150 5.607 1.010 49 H LYS 7 HN LYS 7 -6.653 3.809 -1.533 50 HA LYS 7 HA LYS 7 -8.425 5.593 -0.227 51 1HB LYS 7 2HB LYS 7 -8.090 4.820 -2.784 52 2HB LYS 7 3HB LYS 7 -9.408 3.751 -2.352 53 1HG LYS 7 2HG LYS 7 -9.875 6.460 -1.321 54 2HG LYS 7 3HG LYS 7 -9.602 6.487 -3.052 55 1HD LYS 7 2HD LYS 7 -11.501 4.452 -1.839 56 2HD LYS 7 3HD LYS 7 -12.043 6.091 -2.142 57 1HE LYS 7 2HE LYS 7 -11.882 5.873 -4.469 58 2HE LYS 7 3HE LYS 7 -10.608 4.673 -4.381 59 1HZ LYS 7 1HZ LYS 7 -13.317 4.232 -4.619 60 2HZ LYS 7 2HZ LYS 7 -12.134 3.114 -4.496 61 3HZ LYS 7 3HZ LYS 7 -12.889 3.654 -3.153 62 H GLY 8 HN GLY 8 -8.361 2.002 -0.720 63 1HA GLY 8 1HA GLY 8 -10.727 1.383 0.579 64 2HA GLY 8 2HA GLY 8 -9.325 0.341 0.445 65 H ILE 9 HN ILE 9 -7.362 1.249 1.972 66 HA ILE 9 HA ILE 9 -8.153 0.735 4.561 67 HB ILE 9 HB ILE 9 -5.725 1.894 3.269 68 1HG1 ILE 9 2HG1 ILE 9 -6.375 -0.609 4.837 69 2HG1 ILE 9 3HG1 ILE 9 -5.949 -0.478 3.142 70 1HG2 ILE 9 1HG2 ILE 9 -4.588 2.134 5.391 71 2HG2 ILE 9 2HG2 ILE 9 -6.018 3.193 5.350 72 3HG2 ILE 9 3HG2 ILE 9 -6.064 1.671 6.272 73 1HD1 ILE 9 1HD1 ILE 9 -3.748 0.702 4.188 74 2HD1 ILE 9 2HD1 ILE 9 -4.187 -0.338 5.564 75 3HD1 ILE 9 3HD1 ILE 9 -3.871 -1.060 3.968 76 H PHE 10 HN PHE 10 -7.619 3.895 2.886 77 HA PHE 10 HA PHE 10 -7.939 5.564 5.018 78 1HB PHE 10 2HB PHE 10 -7.379 6.510 2.890 79 2HB PHE 10 3HB PHE 10 -8.600 5.574 2.051 80 HD1 PHE 10 HD1 PHE 10 -10.954 6.302 2.072 81 HD2 PHE 10 HD2 PHE 10 -7.905 8.643 3.869 82 HE1 PHE 10 HE1 PHE 10 -12.492 8.285 2.099 83 HE2 PHE 10 HE2 PHE 10 -9.444 10.626 3.897 84 HZ PHE 10 HZ PHE 10 -11.719 10.423 3.012 85 H GLU 11 HN GLU 11 -10.551 4.349 2.794 86 HA GLU 11 HA GLU 11 -12.596 5.590 4.186 87 1HB GLU 11 2HB GLU 11 -12.307 3.866 1.918 88 2HB GLU 11 3HB GLU 11 -13.522 3.138 2.950 89 1HG GLU 11 2HG GLU 11 -14.230 5.830 3.036 90 2HG GLU 11 3HG GLU 11 -13.635 5.664 1.397 91 H LYS 12 HN LYS 12 -10.950 2.443 4.609 92 HA LYS 12 HA LYS 12 -12.811 1.255 6.301 93 1HB LYS 12 2HB LYS 12 -10.872 0.158 5.138 94 2HB LYS 12 3HB LYS 12 -9.803 0.886 6.320 95 1HG LYS 12 2HG LYS 12 -11.917 -0.315 7.818 96 2HG LYS 12 3HG LYS 12 -11.481 -1.482 6.586 97 1HD LYS 12 2HD LYS 12 -9.154 -1.489 7.286 98 2HD LYS 12 3HD LYS 12 -9.391 -0.092 8.317 99 1HE LYS 12 2HE LYS 12 -10.907 -1.402 9.788 100 2HE LYS 12 3HE LYS 12 -10.759 -2.794 8.734 101 1HZ LYS 12 1HZ LYS 12 -9.051 -3.316 10.014 102 2HZ LYS 12 2HZ LYS 12 -8.205 -2.134 9.268 103 3HZ LYS 12 3HZ LYS 12 -8.946 -1.834 10.693 104 H TYR 13 HN TYR 13 -10.459 3.845 6.803 105 HA TYR 13 HA TYR 13 -10.808 3.663 9.692 106 1HB TYR 13 2HB TYR 13 -9.018 4.984 7.629 107 2HB TYR 13 3HB TYR 13 -9.211 5.850 9.141 108 HD1 TYR 13 HD1 TYR 13 -8.176 2.556 7.724 109 HD2 TYR 13 HD2 TYR 13 -7.967 5.235 11.053 110 HE1 TYR 13 HE1 TYR 13 -6.389 1.099 8.794 111 HE2 TYR 13 HE2 TYR 13 -6.181 3.768 12.112 112 HH TYR 13 HH TYR 13 -5.537 0.638 11.015 113 H ALA 14 HN ALA 14 -11.504 5.795 6.874 114 HA ALA 14 HA ALA 14 -12.509 7.931 8.408 115 1HB ALA 14 1HB ALA 14 -11.757 7.654 5.858 116 2HB ALA 14 2HB ALA 14 -13.500 7.369 5.632 117 3HB ALA 14 3HB ALA 14 -12.933 8.895 6.354 118 H ALA 15 HN ALA 15 -13.777 4.791 7.460 119 HA ALA 15 HA ALA 15 -16.521 5.580 7.859 120 1HB ALA 15 1HB ALA 15 -16.767 2.995 7.622 121 2HB ALA 15 2HB ALA 15 -16.241 3.933 6.204 122 3HB ALA 15 3HB ALA 15 -15.047 3.031 7.167 123 H LYS 16 HN LYS 16 -13.791 4.501 9.751 124 HA LYS 16 HA LYS 16 -15.039 3.073 11.753 125 1HB LYS 16 2HB LYS 16 -12.485 4.039 11.212 126 2HB LYS 16 3HB LYS 16 -12.913 4.836 12.712 127 1HG LYS 16 2HG LYS 16 -13.690 2.507 13.553 128 2HG LYS 16 3HG LYS 16 -12.880 1.843 12.147 129 1HD LYS 16 2HD LYS 16 -10.752 2.365 12.940 130 2HD LYS 16 3HD LYS 16 -11.301 3.782 13.813 131 1HE LYS 16 2HE LYS 16 -12.208 2.445 15.615 132 2HE LYS 16 3HE LYS 16 -12.074 0.966 14.685 133 1HZ LYS 16 1HZ LYS 16 -9.561 1.986 14.721 134 2HZ LYS 16 2HZ LYS 16 -10.109 2.268 16.233 135 3HZ LYS 16 3HZ LYS 16 -10.111 0.749 15.634 136 H GLU 17 HN GLU 17 -14.170 6.605 11.883 137 HA GLU 17 HA GLU 17 -16.514 6.896 13.597 138 1HB GLU 17 2HB GLU 17 -13.783 8.200 13.683 139 2HB GLU 17 3HB GLU 17 -15.164 9.027 14.375 140 1HG GLU 17 2HG GLU 17 -15.381 6.372 15.333 141 2HG GLU 17 3HG GLU 17 -13.667 6.727 15.416 142 H GLY 18 HN GLY 18 -18.100 8.315 12.935 143 1HA GLY 18 1HA GLY 18 -19.175 9.857 11.703 144 2HA GLY 18 2HA GLY 18 -17.631 10.632 11.413 145 H ASP 19 HN ASP 19 -19.138 10.889 9.291 146 HA ASP 19 HA ASP 19 -19.463 8.768 7.601 147 1HB ASP 19 2HB ASP 19 -20.158 11.338 7.476 148 2HB ASP 19 3HB ASP 19 -18.680 11.499 6.550 149 HA PRO 20 HA PRO 20 -15.306 8.067 6.344 150 1HB PRO 20 2HB PRO 20 -15.745 6.367 4.250 151 2HB PRO 20 3HB PRO 20 -15.727 5.843 5.922 152 1HG PRO 20 2HG PRO 20 -18.043 6.233 4.126 153 2HG PRO 20 3HG PRO 20 -17.955 5.325 5.622 154 1HD PRO 20 2HD PRO 20 -19.127 7.917 5.253 155 2HD PRO 20 3HD PRO 20 -18.935 7.059 6.769 156 H ASN 21 HN ASN 21 -17.425 9.985 4.812 157 HA ASN 21 HA ASN 21 -15.817 10.311 2.460 158 1HB ASN 21 2HB ASN 21 -18.348 11.664 3.510 159 2HB ASN 21 3HB ASN 21 -17.539 12.230 2.062 160 1HD2 ASN 21 1HD2 ASN 21 -20.034 11.476 1.751 161 2HD2 ASN 21 2HD2 ASN 21 -20.193 9.947 0.955 162 H GLN 22 HN GLN 22 -15.705 11.282 5.697 163 HA GLN 22 HA GLN 22 -14.052 13.544 4.987 164 1HB GLN 22 2HB GLN 22 -15.131 14.769 7.036 165 2HB GLN 22 3HB GLN 22 -15.965 14.799 5.495 166 1HG GLN 22 2HG GLN 22 -16.783 12.401 6.863 167 2HG GLN 22 3HG GLN 22 -16.883 13.717 8.016 168 1HE2 GLN 22 1HE2 GLN 22 -17.545 13.096 4.568 169 2HE2 GLN 22 2HE2 GLN 22 -19.085 13.887 4.494 170 H LEU 23 HN LEU 23 -12.155 13.551 6.158 171 HA LEU 23 HA LEU 23 -11.889 11.481 8.166 172 1HB LEU 23 2HB LEU 23 -10.036 13.145 6.518 173 2HB LEU 23 3HB LEU 23 -9.443 12.464 8.019 174 HG LEU 23 HG LEU 23 -9.098 11.178 5.791 175 1HD1 LEU 23 1HD1 LEU 23 -9.285 8.998 6.985 176 2HD1 LEU 23 2HD1 LEU 23 -8.431 10.260 7.905 177 3HD1 LEU 23 3HD1 LEU 23 -10.113 9.845 8.314 178 1HD2 LEU 23 1HD2 LEU 23 -11.003 9.477 5.484 179 2HD2 LEU 23 2HD2 LEU 23 -12.015 10.662 6.345 180 3HD2 LEU 23 3HD2 LEU 23 -11.219 11.114 4.818 181 H SER 24 HN SER 24 -10.808 11.963 10.266 182 HA SER 24 HA SER 24 -11.284 14.707 11.097 183 1HB SER 24 2HB SER 24 -12.138 12.239 12.677 184 2HB SER 24 3HB SER 24 -12.291 13.899 13.220 185 HG SER 24 HG SER 24 -13.729 12.536 11.144 186 H LYS 25 HN LYS 25 -10.220 15.068 13.385 187 HA LYS 25 HA LYS 25 -7.521 14.472 13.173 188 1HB LYS 25 2HB LYS 25 -8.538 16.386 14.407 189 2HB LYS 25 3HB LYS 25 -9.068 15.277 15.655 190 1HG LYS 25 2HG LYS 25 -6.448 14.553 15.545 191 2HG LYS 25 3HG LYS 25 -6.289 16.208 14.992 192 1HD LYS 25 2HD LYS 25 -8.089 16.255 17.228 193 2HD LYS 25 3HD LYS 25 -6.742 15.234 17.689 194 1HE LYS 25 2HE LYS 25 -5.131 17.011 17.116 195 2HE LYS 25 3HE LYS 25 -6.414 18.020 16.478 196 1HZ LYS 25 1HZ LYS 25 -6.729 17.091 19.194 197 2HZ LYS 25 2HZ LYS 25 -5.570 18.213 18.936 198 3HZ LYS 25 3HZ LYS 25 -7.120 18.533 18.534 199 H GLU 26 HN GLU 26 -9.967 13.105 15.493 200 HA GLU 26 HA GLU 26 -8.251 11.245 16.562 201 1HB GLU 26 2HB GLU 26 -11.017 11.940 16.763 202 2HB GLU 26 3HB GLU 26 -10.960 10.209 16.494 203 1HG GLU 26 2HG GLU 26 -8.891 10.662 18.352 204 2HG GLU 26 3HG GLU 26 -10.159 11.756 18.870 205 H GLU 27 HN GLU 27 -10.447 11.065 13.708 206 HA GLU 27 HA GLU 27 -10.140 8.360 13.250 207 1HB GLU 27 2HB GLU 27 -11.057 10.737 11.705 208 2HB GLU 27 3HB GLU 27 -10.534 9.380 10.728 209 1HG GLU 27 2HG GLU 27 -12.042 8.011 12.513 210 2HG GLU 27 3HG GLU 27 -12.843 9.563 12.649 211 H LEU 28 HN LEU 28 -8.422 11.177 11.712 212 HA LEU 28 HA LEU 28 -6.685 9.678 10.174 213 1HB LEU 28 2HB LEU 28 -7.222 12.211 10.245 214 2HB LEU 28 3HB LEU 28 -5.929 12.301 11.425 215 HG LEU 28 HG LEU 28 -4.306 12.059 9.880 216 1HD1 LEU 28 1HD1 LEU 28 -6.085 10.213 8.263 217 2HD1 LEU 28 2HD1 LEU 28 -4.369 10.567 7.947 218 3HD1 LEU 28 3HD1 LEU 28 -4.843 9.713 9.435 219 1HD2 LEU 28 1HD2 LEU 28 -4.898 12.986 7.669 220 2HD2 LEU 28 2HD2 LEU 28 -6.622 12.795 8.069 221 3HD2 LEU 28 3HD2 LEU 28 -5.607 13.909 9.016 222 H LYS 29 HN LYS 29 -6.412 10.810 13.590 223 HA LYS 29 HA LYS 29 -3.855 10.190 14.154 224 1HB LYS 29 2HB LYS 29 -5.446 11.174 15.737 225 2HB LYS 29 3HB LYS 29 -6.294 9.647 15.873 226 1HG LYS 29 2HG LYS 29 -4.518 8.601 17.033 227 2HG LYS 29 3HG LYS 29 -3.317 9.717 16.414 228 1HD LYS 29 2HD LYS 29 -3.895 11.415 17.940 229 2HD LYS 29 3HD LYS 29 -5.530 10.819 18.150 230 1HE LYS 29 2HE LYS 29 -3.635 8.773 19.000 231 2HE LYS 29 3HE LYS 29 -3.260 10.287 19.800 232 1HZ LYS 29 1HZ LYS 29 -4.902 9.706 21.146 233 2HZ LYS 29 2HZ LYS 29 -5.929 10.174 19.966 234 3HZ LYS 29 3HZ LYS 29 -5.528 8.599 20.122 235 H LEU 30 HN LEU 30 -6.626 7.842 14.223 236 HA LEU 30 HA LEU 30 -5.142 5.614 14.862 237 1HB LEU 30 2HB LEU 30 -7.600 5.809 13.115 238 2HB LEU 30 3HB LEU 30 -6.991 4.345 13.861 239 HG LEU 30 HG LEU 30 -8.310 6.719 15.152 240 1HD1 LEU 30 1HD1 LEU 30 -9.841 5.032 14.541 241 2HD1 LEU 30 2HD1 LEU 30 -8.777 3.735 15.136 242 3HD1 LEU 30 3HD1 LEU 30 -9.574 4.832 16.290 243 1HD2 LEU 30 1HD2 LEU 30 -6.472 4.734 16.500 244 2HD2 LEU 30 2HD2 LEU 30 -6.391 6.512 16.523 245 3HD2 LEU 30 3HD2 LEU 30 -7.708 5.669 17.374 246 H LEU 31 HN LEU 31 -6.099 6.770 11.549 247 HA LEU 31 HA LEU 31 -4.742 4.876 10.117 248 1HB LEU 31 2HB LEU 31 -6.348 6.780 9.420 249 2HB LEU 31 3HB LEU 31 -4.897 7.747 9.249 250 HG LEU 31 HG LEU 31 -4.578 5.210 7.885 251 1HD1 LEU 31 1HD1 LEU 31 -6.253 5.675 6.073 252 2HD1 LEU 31 2HD1 LEU 31 -6.944 5.116 7.615 253 3HD1 LEU 31 3HD1 LEU 31 -7.027 6.839 7.174 254 1HD2 LEU 31 1HD2 LEU 31 -3.853 6.573 6.081 255 2HD2 LEU 31 2HD2 LEU 31 -4.713 7.996 6.715 256 3HD2 LEU 31 3HD2 LEU 31 -3.292 7.358 7.577 257 H LEU 32 HN LEU 32 -3.497 8.215 10.856 258 HA LEU 32 HA LEU 32 -0.955 7.851 9.969 259 1HB LEU 32 2HB LEU 32 -1.808 9.426 12.401 260 2HB LEU 32 3HB LEU 32 -0.328 9.649 11.489 261 HG LEU 32 HG LEU 32 -3.084 10.006 10.288 262 1HD1 LEU 32 1HD1 LEU 32 -2.369 12.513 10.480 263 2HD1 LEU 32 2HD1 LEU 32 -3.121 11.686 11.864 264 3HD1 LEU 32 3HD1 LEU 32 -1.358 11.922 11.820 265 1HD2 LEU 32 1HD2 LEU 32 -1.716 9.766 8.471 266 2HD2 LEU 32 2HD2 LEU 32 -1.550 11.515 8.753 267 3HD2 LEU 32 3HD2 LEU 32 -0.284 10.399 9.318 268 H GLN 33 HN GLN 33 -2.528 6.371 12.728 269 HA GLN 33 HA GLN 33 -0.183 5.822 14.166 270 1HB GLN 33 2HB GLN 33 -2.887 5.619 14.658 271 2HB GLN 33 3HB GLN 33 -2.465 3.931 14.448 272 1HG GLN 33 2HG GLN 33 -0.607 4.213 16.128 273 2HG GLN 33 3HG GLN 33 -1.100 5.877 16.368 274 1HE2 GLN 33 1HE2 GLN 33 -2.607 6.335 17.804 275 2HE2 GLN 33 2HE2 GLN 33 -3.638 5.205 18.617 276 H THR 34 HN THR 34 -2.346 3.601 12.247 277 HA THR 34 HA THR 34 -0.223 1.653 12.091 278 HB THR 34 HB THR 34 -3.153 1.850 11.620 279 HG1 THR 34 HG1 THR 34 -2.853 -0.246 12.587 280 1HG2 THR 34 1HG2 THR 34 -3.254 -0.033 10.062 281 2HG2 THR 34 2HG2 THR 34 -2.288 1.246 9.287 282 3HG2 THR 34 3HG2 THR 34 -1.478 -0.157 10.026 283 H GLU 35 HN GLU 35 -2.002 3.804 9.788 284 HA GLU 35 HA GLU 35 -0.836 2.999 7.505 285 1HB GLU 35 2HB GLU 35 -2.589 4.667 7.503 286 2HB GLU 35 3HB GLU 35 -1.609 5.797 8.417 287 1HG GLU 35 2HG GLU 35 -0.039 5.145 6.143 288 2HG GLU 35 3HG GLU 35 -1.671 5.324 5.528 289 H PHE 36 HN PHE 36 0.398 5.693 9.624 290 HA PHE 36 HA PHE 36 3.096 4.865 9.014 291 1HB PHE 36 2HB PHE 36 1.792 7.542 8.261 292 2HB PHE 36 3HB PHE 36 3.532 7.386 8.407 293 HD1 PHE 36 HD1 PHE 36 1.359 7.849 6.007 294 HD2 PHE 36 HD2 PHE 36 4.052 4.782 7.169 295 HE1 PHE 36 HE1 PHE 36 1.487 7.060 3.628 296 HE2 PHE 36 HE2 PHE 36 4.180 3.993 4.790 297 HZ PHE 36 HZ PHE 36 2.896 5.141 3.048 298 HA PRO 37 HA PRO 37 2.668 6.365 13.210 299 1HB PRO 37 2HB PRO 37 4.196 4.434 14.395 300 2HB PRO 37 3HB PRO 37 2.460 4.298 14.202 301 1HG PRO 37 2HG PRO 37 4.604 2.936 12.691 302 2HG PRO 37 3HG PRO 37 2.908 2.512 12.813 303 1HD PRO 37 2HD PRO 37 4.203 3.791 10.595 304 2HD PRO 37 3HD PRO 37 2.488 3.473 10.766 305 H SER 38 HN SER 38 4.996 6.361 10.950 306 HA SER 38 HA SER 38 7.052 7.259 12.754 307 1HB SER 38 2HB SER 38 7.326 5.773 10.591 308 2HB SER 38 3HB SER 38 7.251 7.298 9.732 309 HG SER 38 HG SER 38 9.350 7.399 10.153 310 H LEU 39 HN LEU 39 4.661 8.478 10.417 311 HA LEU 39 HA LEU 39 5.804 11.046 10.118 312 1HB LEU 39 2HB LEU 39 3.606 9.557 9.102 313 2HB LEU 39 3HB LEU 39 2.974 11.067 9.727 314 HG LEU 39 HG LEU 39 3.694 10.929 7.251 315 1HD1 LEU 39 1HD1 LEU 39 5.028 13.311 8.327 316 2HD1 LEU 39 2HD1 LEU 39 3.612 13.163 7.257 317 3HD1 LEU 39 3HD1 LEU 39 3.416 13.010 9.020 318 1HD2 LEU 39 1HD2 LEU 39 5.862 10.839 6.649 319 2HD2 LEU 39 2HD2 LEU 39 6.410 11.779 8.057 320 3HD2 LEU 39 3HD2 LEU 39 6.057 10.043 8.229 321 H LEU 40 HN LEU 40 4.068 9.445 12.675 322 HA LEU 40 HA LEU 40 2.943 11.815 13.792 323 1HB LEU 40 2HB LEU 40 3.366 9.024 14.859 324 2HB LEU 40 3HB LEU 40 2.575 10.300 15.763 325 HG LEU 40 HG LEU 40 1.601 9.371 13.053 326 1HD1 LEU 40 1HD1 LEU 40 1.129 7.422 14.062 327 2HD1 LEU 40 2HD1 LEU 40 1.320 8.098 15.697 328 3HD1 LEU 40 3HD1 LEU 40 -0.204 8.336 14.809 329 1HD2 LEU 40 1HD2 LEU 40 0.535 11.191 15.190 330 2HD2 LEU 40 2HD2 LEU 40 0.627 11.432 13.429 331 3HD2 LEU 40 3HD2 LEU 40 -0.582 10.319 14.113 332 H LYS 41 HN LYS 41 6.052 10.140 13.890 333 HA LYS 41 HA LYS 41 6.946 11.315 16.302 334 1HB LYS 41 2HB LYS 41 8.781 10.046 15.986 335 2HB LYS 41 3HB LYS 41 7.788 9.254 14.780 336 1HG LYS 41 2HG LYS 41 8.707 10.827 13.033 337 2HG LYS 41 3HG LYS 41 9.747 11.538 14.251 338 1HD LYS 41 2HD LYS 41 10.347 8.876 14.593 339 2HD LYS 41 3HD LYS 41 9.960 8.889 12.884 340 1HE LYS 41 2HE LYS 41 11.872 10.016 12.345 341 2HE LYS 41 3HE LYS 41 11.649 11.185 13.632 342 1HZ LYS 41 1HZ LYS 41 12.277 8.803 14.843 343 2HZ LYS 41 2HZ LYS 41 13.316 8.943 13.591 344 3HZ LYS 41 3HZ LYS 41 13.226 10.126 14.714 345 H GLY 42 HN GLY 42 6.839 12.310 12.886 346 1HA GLY 42 1HA GLY 42 8.689 14.230 12.622 347 2HA GLY 42 2HA GLY 42 7.048 14.399 12.030 348 H MET 43 HN MET 43 8.574 16.647 12.827 349 HA MET 43 HA MET 43 8.035 17.309 15.506 350 1HB MET 43 2HB MET 43 8.702 19.049 13.066 351 2HB MET 43 3HB MET 43 8.768 19.612 14.724 352 1HG MET 43 2HG MET 43 10.353 17.437 15.007 353 2HG MET 43 3HG MET 43 10.606 17.701 13.293 354 1HE MET 43 1HE MET 43 11.443 20.787 16.611 355 2HE MET 43 2HE MET 43 9.888 19.962 16.347 356 3HE MET 43 3HE MET 43 11.299 19.040 16.920 357 H SER 44 HN SER 44 5.940 16.903 12.928 358 HA SER 44 HA SER 44 4.299 19.183 13.567 359 1HB SER 44 2HB SER 44 4.018 16.942 11.520 360 2HB SER 44 3HB SER 44 2.817 18.200 11.733 361 HG SER 44 HG SER 44 5.603 18.651 11.073 362 H THR 45 HN THR 45 3.332 18.870 15.585 363 HA THR 45 HA THR 45 2.518 16.367 16.557 364 HB THR 45 HB THR 45 1.472 17.749 18.318 365 HG1 THR 45 HG1 THR 45 2.125 19.997 16.576 366 1HG2 THR 45 1HG2 THR 45 4.167 18.388 17.269 367 2HG2 THR 45 2HG2 THR 45 3.429 19.750 18.145 368 3HG2 THR 45 3HG2 THR 45 3.638 18.179 18.955 369 H LEU 46 HN LEU 46 0.140 15.961 17.260 370 HA LEU 46 HA LEU 46 -1.297 15.357 15.010 371 1HB LEU 46 2HB LEU 46 -1.476 14.712 17.577 372 2HB LEU 46 3HB LEU 46 -2.739 15.927 17.555 373 HG LEU 46 HG LEU 46 -3.521 14.505 15.415 374 1HD1 LEU 46 1HD1 LEU 46 -2.308 12.382 17.198 375 2HD1 LEU 46 2HD1 LEU 46 -3.163 12.161 15.653 376 3HD1 LEU 46 3HD1 LEU 46 -1.568 12.950 15.682 377 1HD2 LEU 46 1HD2 LEU 46 -4.171 13.548 18.206 378 2HD2 LEU 46 2HD2 LEU 46 -4.753 15.098 17.554 379 3HD2 LEU 46 3HD2 LEU 46 -5.216 13.571 16.765 380 H ASP 47 HN ASP 47 -2.067 18.046 17.339 381 HA ASP 47 HA ASP 47 -4.050 19.197 15.999 382 1HB ASP 47 2HB ASP 47 -2.399 19.906 18.107 383 2HB ASP 47 3HB ASP 47 -2.000 21.148 16.936 384 H GLU 48 HN GLU 48 -0.493 19.853 15.558 385 HA GLU 48 HA GLU 48 -0.725 21.729 13.583 386 1HB GLU 48 2HB GLU 48 1.364 20.070 14.743 387 2HB GLU 48 3HB GLU 48 1.607 20.193 13.012 388 1HG GLU 48 2HG GLU 48 1.054 22.794 13.494 389 2HG GLU 48 3HG GLU 48 1.629 22.370 15.095 390 H LEU 49 HN LEU 49 -0.541 18.126 13.340 391 HA LEU 49 HA LEU 49 -0.505 18.069 10.530 392 1HB LEU 49 2HB LEU 49 -0.107 16.280 12.531 393 2HB LEU 49 3HB LEU 49 -1.701 15.797 11.987 394 HG LEU 49 HG LEU 49 -0.564 15.878 9.595 395 1HD1 LEU 49 1HD1 LEU 49 1.867 14.776 10.656 396 2HD1 LEU 49 2HD1 LEU 49 1.638 16.117 9.509 397 3HD1 LEU 49 3HD1 LEU 49 1.649 16.436 11.260 398 1HD2 LEU 49 1HD2 LEU 49 -1.232 13.878 11.445 399 2HD2 LEU 49 2HD2 LEU 49 -0.965 13.697 9.694 400 3HD2 LEU 49 3HD2 LEU 49 0.381 13.442 10.831 401 H PHE 50 HN PHE 50 -3.164 17.797 12.972 402 HA PHE 50 HA PHE 50 -5.221 17.329 11.208 403 1HB PHE 50 2HB PHE 50 -5.179 17.340 13.781 404 2HB PHE 50 3HB PHE 50 -5.152 19.092 13.732 405 HD1 PHE 50 HD1 PHE 50 -7.176 19.807 14.596 406 HD2 PHE 50 HD2 PHE 50 -7.172 16.653 11.757 407 HE1 PHE 50 HE1 PHE 50 -9.685 19.844 14.551 408 HE2 PHE 50 HE2 PHE 50 -9.681 16.690 11.712 409 HZ PHE 50 HZ PHE 50 -10.908 18.285 13.110 410 H GLU 51 HN GLU 51 -4.088 20.527 12.527 411 HA GLU 51 HA GLU 51 -5.868 21.973 10.935 412 1HB GLU 51 2HB GLU 51 -4.657 23.937 11.713 413 2HB GLU 51 3HB GLU 51 -4.812 22.811 13.046 414 1HG GLU 51 2HG GLU 51 -2.540 23.444 13.168 415 2HG GLU 51 3HG GLU 51 -2.466 21.915 12.314 416 H GLU 52 HN GLU 52 -2.454 20.922 10.533 417 HA GLU 52 HA GLU 52 -1.868 22.473 8.335 418 1HB GLU 52 2HB GLU 52 -0.108 21.318 9.515 419 2HB GLU 52 3HB GLU 52 -0.851 19.754 9.245 420 1HG GLU 52 2HG GLU 52 -0.476 19.988 6.788 421 2HG GLU 52 3HG GLU 52 0.242 21.567 7.041 422 H LEU 53 HN LEU 53 -3.071 19.043 8.487 423 HA LEU 53 HA LEU 53 -3.238 18.592 5.788 424 1HB LEU 53 2HB LEU 53 -5.037 17.587 7.997 425 2HB LEU 53 3HB LEU 53 -4.947 16.911 6.383 426 HG LEU 53 HG LEU 53 -2.436 17.096 8.012 427 1HD1 LEU 53 1HD1 LEU 53 -2.985 15.563 9.536 428 2HD1 LEU 53 2HD1 LEU 53 -4.677 15.913 9.109 429 3HD1 LEU 53 3HD1 LEU 53 -3.830 14.548 8.342 430 1HD2 LEU 53 1HD2 LEU 53 -1.812 16.240 6.016 431 2HD2 LEU 53 2HD2 LEU 53 -2.353 14.717 6.760 432 3HD2 LEU 53 3HD2 LEU 53 -3.432 15.599 5.653 433 H ASP 54 HN ASP 54 -5.887 19.797 7.969 434 HA ASP 54 HA ASP 54 -7.645 20.261 5.890 435 1HB ASP 54 2HB ASP 54 -8.302 20.150 8.280 436 2HB ASP 54 3HB ASP 54 -7.398 21.612 8.618 437 H LYS 55 HN LYS 55 -8.448 22.543 5.220 438 HA LYS 55 HA LYS 55 -6.777 24.775 5.627 439 1HB LYS 55 2HB LYS 55 -5.661 24.991 3.562 440 2HB LYS 55 3HB LYS 55 -5.332 23.359 4.105 441 1HG LYS 55 2HG LYS 55 -7.330 22.597 2.672 442 2HG LYS 55 3HG LYS 55 -7.369 24.216 2.003 443 1HD LYS 55 2HD LYS 55 -4.818 23.836 1.494 444 2HD LYS 55 3HD LYS 55 -5.165 22.139 1.761 445 1HE LYS 55 2HE LYS 55 -6.699 22.035 -0.074 446 2HE LYS 55 3HE LYS 55 -6.882 23.777 -0.138 447 1HZ LYS 55 1HZ LYS 55 -5.123 22.276 -1.571 448 2HZ LYS 55 2HZ LYS 55 -5.147 23.906 -1.468 449 3HZ LYS 55 3HZ LYS 55 -4.186 23.039 -0.472 450 H ASN 56 HN ASN 56 -9.148 23.052 3.534 451 HA ASN 56 HA ASN 56 -10.303 25.207 2.366 452 1HB ASN 56 2HB ASN 56 -12.483 23.687 2.592 453 2HB ASN 56 3HB ASN 56 -11.141 23.143 1.605 454 1HD2 ASN 56 1HD2 ASN 56 -11.359 21.002 1.819 455 2HD2 ASN 56 2HD2 ASN 56 -11.199 20.116 3.299 456 H GLY 57 HN GLY 57 -10.579 23.919 5.687 457 1HA GLY 57 1HA GLY 57 -11.251 25.085 7.547 458 2HA GLY 57 2HA GLY 57 -11.957 26.332 6.537 459 H ASP 58 HN ASP 58 -12.392 22.769 7.158 460 HA ASP 58 HA ASP 58 -15.220 23.347 7.473 461 1HB ASP 58 2HB ASP 58 -15.461 20.935 6.348 462 2HB ASP 58 3HB ASP 58 -15.403 22.387 5.369 463 H GLY 59 HN GLY 59 -12.593 20.825 7.628 464 1HA GLY 59 1HA GLY 59 -12.045 20.126 9.948 465 2HA GLY 59 2HA GLY 59 -13.764 19.871 10.174 466 H GLU 60 HN GLU 60 -13.137 19.148 6.944 467 HA GLU 60 HA GLU 60 -12.912 16.330 7.636 468 1HB GLU 60 2HB GLU 60 -13.850 17.450 4.970 469 2HB GLU 60 3HB GLU 60 -14.099 15.835 5.604 470 1HG GLU 60 2HG GLU 60 -16.030 16.491 6.588 471 2HG GLU 60 3HG GLU 60 -15.166 17.685 7.536 472 H VAL 61 HN VAL 61 -11.015 15.297 7.186 473 HA VAL 61 HA VAL 61 -9.137 16.687 5.437 474 HB VAL 61 HB VAL 61 -8.866 14.525 7.525 475 1HG1 VAL 61 1HG1 VAL 61 -7.099 13.753 6.381 476 2HG1 VAL 61 2HG1 VAL 61 -7.119 15.132 5.255 477 3HG1 VAL 61 3HG1 VAL 61 -6.289 15.275 6.823 478 1HG2 VAL 61 1HG2 VAL 61 -7.383 17.141 7.483 479 2HG2 VAL 61 2HG2 VAL 61 -9.074 17.089 8.035 480 3HG2 VAL 61 3HG2 VAL 61 -7.837 16.114 8.864 481 H SER 62 HN SER 62 -11.130 15.766 3.895 482 HA SER 62 HA SER 62 -11.251 13.180 3.189 483 1HB SER 62 2HB SER 62 -11.192 14.851 0.792 484 2HB SER 62 3HB SER 62 -12.542 14.000 1.517 485 HG SER 62 HG SER 62 -11.702 16.688 1.852 486 H PHE 63 HN PHE 63 -10.353 12.141 1.064 487 HA PHE 63 HA PHE 63 -7.680 11.720 1.296 488 1HB PHE 63 2HB PHE 63 -9.637 10.619 -0.125 489 2HB PHE 63 3HB PHE 63 -9.200 11.777 -1.365 490 HD1 PHE 63 HD1 PHE 63 -7.402 9.390 0.888 491 HD2 PHE 63 HD2 PHE 63 -7.850 10.958 -3.030 492 HE1 PHE 63 HE1 PHE 63 -5.617 7.831 0.060 493 HE2 PHE 63 HE2 PHE 63 -6.065 9.399 -3.858 494 HZ PHE 63 HZ PHE 63 -4.970 7.854 -2.303 495 H GLU 64 HN GLU 64 -9.370 14.336 -0.447 496 HA GLU 64 HA GLU 64 -7.429 15.136 -2.152 497 1HB GLU 64 2HB GLU 64 -8.422 17.531 -1.570 498 2HB GLU 64 3HB GLU 64 -9.402 16.332 -2.391 499 1HG GLU 64 2HG GLU 64 -10.857 16.198 -0.649 500 2HG GLU 64 3HG GLU 64 -9.561 15.955 0.505 501 H GLU 65 HN GLU 65 -7.887 16.229 1.288 502 HA GLU 65 HA GLU 65 -5.515 17.732 1.249 503 1HB GLU 65 2HB GLU 65 -7.161 16.689 3.597 504 2HB GLU 65 3HB GLU 65 -5.896 17.896 3.721 505 1HG GLU 65 2HG GLU 65 -7.878 18.546 1.625 506 2HG GLU 65 3HG GLU 65 -8.605 18.399 3.213 507 H PHE 66 HN PHE 66 -6.333 14.355 1.924 508 HA PHE 66 HA PHE 66 -4.161 13.657 3.495 509 1HB PHE 66 2HB PHE 66 -6.336 12.387 2.706 510 2HB PHE 66 3HB PHE 66 -5.442 12.004 1.248 511 HD1 PHE 66 HD1 PHE 66 -4.824 9.789 1.260 512 HD2 PHE 66 HD2 PHE 66 -4.521 11.994 4.873 513 HE1 PHE 66 HE1 PHE 66 -3.826 7.787 2.398 514 HE2 PHE 66 HE2 PHE 66 -3.524 9.991 6.011 515 HZ PHE 66 HZ PHE 66 -3.188 7.912 4.760 516 H GLN 67 HN GLN 67 -4.499 14.014 -0.064 517 HA GLN 67 HA GLN 67 -2.146 12.746 -0.745 518 1HB GLN 67 2HB GLN 67 -3.524 15.082 -2.145 519 2HB GLN 67 3HB GLN 67 -2.336 14.022 -2.878 520 1HG GLN 67 2HG GLN 67 -4.054 12.123 -1.994 521 2HG GLN 67 3HG GLN 67 -5.194 13.447 -2.130 522 1HE2 GLN 67 1HE2 GLN 67 -4.900 10.956 -3.660 523 2HE2 GLN 67 2HE2 GLN 67 -4.764 11.399 -5.329 524 H VAL 68 HN VAL 68 -2.658 15.647 1.025 525 HA VAL 68 HA VAL 68 -0.317 17.023 0.134 526 HB VAL 68 HB VAL 68 -1.978 17.410 2.630 527 1HG1 VAL 68 1HG1 VAL 68 0.330 18.522 2.409 528 2HG1 VAL 68 2HG1 VAL 68 -0.408 19.510 1.125 529 3HG1 VAL 68 3HG1 VAL 68 -1.058 19.573 2.781 530 1HG2 VAL 68 1HG2 VAL 68 -2.949 17.525 0.065 531 2HG2 VAL 68 2HG2 VAL 68 -3.604 18.428 1.452 532 3HG2 VAL 68 3HG2 VAL 68 -2.450 19.210 0.346 533 H LEU 69 HN LEU 69 -1.209 14.738 2.746 534 HA LEU 69 HA LEU 69 1.274 15.051 4.107 535 1HB LEU 69 2HB LEU 69 -1.111 14.219 4.886 536 2HB LEU 69 3HB LEU 69 -0.474 12.653 4.424 537 HG LEU 69 HG LEU 69 1.370 12.880 5.996 538 1HD1 LEU 69 1HD1 LEU 69 0.538 15.686 6.013 539 2HD1 LEU 69 2HD1 LEU 69 0.814 15.019 7.640 540 3HD1 LEU 69 3HD1 LEU 69 2.105 14.945 6.417 541 1HD2 LEU 69 1HD2 LEU 69 -0.941 13.665 7.701 542 2HD2 LEU 69 2HD2 LEU 69 -1.144 12.253 6.637 543 3HD2 LEU 69 3HD2 LEU 69 0.174 12.284 7.833 544 H VAL 70 HN VAL 70 -0.030 12.986 1.510 545 HA VAL 70 HA VAL 70 1.828 10.957 1.555 546 HB VAL 70 HB VAL 70 0.144 12.276 -0.532 547 1HG1 VAL 70 1HG1 VAL 70 0.910 10.700 -2.243 548 2HG1 VAL 70 2HG1 VAL 70 2.244 11.749 -1.706 549 3HG1 VAL 70 3HG1 VAL 70 2.145 10.069 -1.127 550 1HG2 VAL 70 1HG2 VAL 70 -0.554 10.486 1.250 551 2HG2 VAL 70 2HG2 VAL 70 -1.139 10.349 -0.425 552 3HG2 VAL 70 3HG2 VAL 70 0.222 9.343 0.128 553 H LYS 71 HN LYS 71 2.185 14.356 0.721 554 HA LYS 71 HA LYS 71 4.516 14.037 -0.861 555 1HB LYS 71 2HB LYS 71 2.745 16.047 -0.465 556 2HB LYS 71 3HB LYS 71 4.040 16.589 0.583 557 1HG LYS 71 2HG LYS 71 4.962 15.579 -2.061 558 2HG LYS 71 3HG LYS 71 3.941 17.001 -2.156 559 1HD LYS 71 2HD LYS 71 5.722 17.522 -0.006 560 2HD LYS 71 3HD LYS 71 6.715 16.777 -1.243 561 1HE LYS 71 2HE LYS 71 4.796 18.839 -2.242 562 2HE LYS 71 3HE LYS 71 6.059 19.451 -1.192 563 1HZ LYS 71 1HZ LYS 71 7.462 17.876 -2.767 564 2HZ LYS 71 2HZ LYS 71 6.280 18.295 -3.814 565 3HZ LYS 71 3HZ LYS 71 7.189 19.451 -3.104 566 H LYS 72 HN LYS 72 3.848 14.656 2.626 567 HA LYS 72 HA LYS 72 6.585 14.976 3.283 568 1HB LYS 72 2HB LYS 72 4.096 14.458 4.927 569 2HB LYS 72 3HB LYS 72 5.685 14.656 5.639 570 1HG LYS 72 2HG LYS 72 4.441 16.706 3.750 571 2HG LYS 72 3HG LYS 72 4.270 16.785 5.492 572 1HD LYS 72 2HD LYS 72 6.983 16.486 5.323 573 2HD LYS 72 3HD LYS 72 6.687 17.291 3.795 574 1HE LYS 72 2HE LYS 72 5.233 18.966 5.233 575 2HE LYS 72 3HE LYS 72 6.108 18.302 6.598 576 1HZ LYS 72 1HZ LYS 72 6.986 20.210 4.839 577 2HZ LYS 72 2HZ LYS 72 7.845 19.506 6.037 578 3HZ LYS 72 3HZ LYS 72 7.894 18.889 4.525 579 H ILE 73 HN ILE 73 4.309 12.222 3.082 580 HA ILE 73 HA ILE 73 6.119 10.416 4.345 581 HB ILE 73 HB ILE 73 3.629 9.959 2.697 582 1HG1 ILE 73 2HG1 ILE 73 3.704 9.612 5.658 583 2HG1 ILE 73 3HG1 ILE 73 3.708 11.254 5.047 584 1HG2 ILE 73 1HG2 ILE 73 4.026 7.819 4.462 585 2HG2 ILE 73 2HG2 ILE 73 4.184 7.809 2.689 586 3HG2 ILE 73 3HG2 ILE 73 5.612 8.111 3.707 587 1HD1 ILE 73 1HD1 ILE 73 1.650 9.085 4.450 588 2HD1 ILE 73 2HD1 ILE 73 1.395 10.597 5.353 589 3HD1 ILE 73 3HD1 ILE 73 1.702 10.648 3.601 590 H SER 74 HN SER 74 6.145 12.021 1.372 591 HA SER 74 HA SER 74 7.243 9.788 -0.071 592 1HB SER 74 2HB SER 74 5.686 11.578 -1.071 593 2HB SER 74 3HB SER 74 7.042 12.684 -0.989 594 HG SER 74 HG SER 74 8.261 11.182 -2.342 595 H GLN 75 HN GLN 75 8.227 12.991 1.284 596 HA GLN 75 HA GLN 75 10.866 12.789 0.353 597 1HB GLN 75 2HB GLN 75 9.288 14.776 1.483 598 2HB GLN 75 3HB GLN 75 10.426 14.441 2.773 599 1HG GLN 75 2HG GLN 75 11.603 16.047 1.538 600 2HG GLN 75 3HG GLN 75 12.252 14.564 0.867 601 1HE2 GLN 75 1HE2 GLN 75 9.261 16.460 0.443 602 2HE2 GLN 75 2HE2 GLN 75 9.320 16.578 -1.284 Start of MODEL 7 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.431 0.433 -2.012 3 1HB LYS 1 2HB LYS 1 3.849 0.660 -0.214 4 2HB LYS 1 3HB LYS 1 3.984 0.700 -1.960 5 1HG LYS 1 2HG LYS 1 2.358 2.609 -2.035 6 2HG LYS 1 3HG LYS 1 2.246 2.576 -0.286 7 1HD LYS 1 2HD LYS 1 4.948 2.742 -0.516 8 2HD LYS 1 3HD LYS 1 4.510 3.507 -2.031 9 1HE LYS 1 2HE LYS 1 3.126 5.168 -0.864 10 2HE LYS 1 3HE LYS 1 3.338 4.338 0.665 11 1HZ LYS 1 1HZ LYS 1 4.876 6.064 0.635 12 2HZ LYS 1 2HZ LYS 1 5.771 4.734 0.323 13 3HZ LYS 1 3HZ LYS 1 5.376 5.755 -0.889 14 H SER 2 HN SER 2 3.168 -1.829 0.228 15 HA SER 2 HA SER 2 4.024 -3.537 -1.756 16 1HB SER 2 2HB SER 2 3.948 -3.462 1.135 17 2HB SER 2 3HB SER 2 3.471 -5.064 0.609 18 HG SER 2 HG SER 2 5.684 -5.181 0.698 19 HA PRO 3 HA PRO 3 0.571 -6.059 -2.611 20 1HB PRO 3 2HB PRO 3 1.448 -8.645 -2.501 21 2HB PRO 3 3HB PRO 3 1.772 -7.580 -3.855 22 1HG PRO 3 2HG PRO 3 3.604 -8.458 -1.708 23 2HG PRO 3 3HG PRO 3 3.995 -7.762 -3.268 24 1HD PRO 3 2HD PRO 3 4.054 -6.428 -0.730 25 2HD PRO 3 3HD PRO 3 4.332 -5.704 -2.302 26 H GLU 4 HN GLU 4 2.165 -7.049 0.329 27 HA GLU 4 HA GLU 4 0.180 -8.627 1.329 28 1HB GLU 4 2HB GLU 4 2.600 -7.550 2.243 29 2HB GLU 4 3HB GLU 4 1.425 -6.907 3.373 30 1HG GLU 4 2HG GLU 4 0.812 -9.702 2.866 31 2HG GLU 4 3HG GLU 4 2.508 -9.559 3.283 32 H GLU 5 HN GLU 5 0.584 -5.036 1.573 33 HA GLU 5 HA GLU 5 -1.695 -4.696 3.157 34 1HB GLU 5 2HB GLU 5 0.263 -2.987 1.736 35 2HB GLU 5 3HB GLU 5 -1.332 -2.270 1.848 36 1HG GLU 5 2HG GLU 5 -0.926 -3.349 4.412 37 2HG GLU 5 3HG GLU 5 0.659 -2.745 3.974 38 H LEU 6 HN LEU 6 -1.143 -5.073 -0.315 39 HA LEU 6 HA LEU 6 -3.546 -3.889 -1.185 40 1HB LEU 6 2HB LEU 6 -1.486 -5.714 -2.347 41 2HB LEU 6 3HB LEU 6 -3.015 -5.528 -3.182 42 HG LEU 6 HG LEU 6 -1.304 -3.161 -2.400 43 1HD1 LEU 6 1HD1 LEU 6 -1.107 -4.954 -4.808 44 2HD1 LEU 6 2HD1 LEU 6 -0.667 -3.232 -4.907 45 3HD1 LEU 6 3HD1 LEU 6 0.184 -4.304 -3.770 46 1HD2 LEU 6 1HD2 LEU 6 -3.659 -2.689 -2.897 47 2HD2 LEU 6 2HD2 LEU 6 -2.571 -1.991 -4.121 48 3HD2 LEU 6 3HD2 LEU 6 -3.482 -3.476 -4.484 49 H LYS 7 HN LYS 7 -2.606 -7.220 -0.189 50 HA LYS 7 HA LYS 7 -4.982 -8.461 -0.934 51 1HB LYS 7 2HB LYS 7 -2.645 -9.366 -0.085 52 2HB LYS 7 3HB LYS 7 -3.438 -9.353 1.477 53 1HG LYS 7 2HG LYS 7 -3.765 -11.546 0.432 54 2HG LYS 7 3HG LYS 7 -5.310 -10.726 0.536 55 1HD LYS 7 2HD LYS 7 -4.109 -9.953 -1.961 56 2HD LYS 7 3HD LYS 7 -3.939 -11.692 -1.823 57 1HE LYS 7 2HE LYS 7 -6.612 -10.749 -0.979 58 2HE LYS 7 3HE LYS 7 -6.247 -10.327 -2.640 59 1HZ LYS 7 1HZ LYS 7 -6.889 -12.406 -3.019 60 2HZ LYS 7 2HZ LYS 7 -5.399 -12.845 -2.514 61 3HZ LYS 7 3HZ LYS 7 -6.662 -12.906 -1.481 62 H GLY 8 HN GLY 8 -3.969 -7.195 2.322 63 1HA GLY 8 1HA GLY 8 -6.310 -7.650 3.683 64 2HA GLY 8 2HA GLY 8 -5.194 -6.337 4.002 65 H ILE 9 HN ILE 9 -5.355 -4.547 2.027 66 HA ILE 9 HA ILE 9 -7.749 -3.249 2.445 67 HB ILE 9 HB ILE 9 -5.457 -2.986 0.580 68 1HG1 ILE 9 2HG1 ILE 9 -6.812 -1.269 2.664 69 2HG1 ILE 9 3HG1 ILE 9 -5.208 -1.974 2.710 70 1HG2 ILE 9 1HG2 ILE 9 -8.018 -1.411 0.197 71 2HG2 ILE 9 2HG2 ILE 9 -6.473 -1.153 -0.649 72 3HG2 ILE 9 3HG2 ILE 9 -7.390 -2.657 -0.908 73 1HD1 ILE 9 1HD1 ILE 9 -5.042 0.417 2.175 74 2HD1 ILE 9 2HD1 ILE 9 -4.537 -0.539 0.762 75 3HD1 ILE 9 3HD1 ILE 9 -6.150 0.212 0.797 76 H PHE 10 HN PHE 10 -6.700 -5.283 -0.365 77 HA PHE 10 HA PHE 10 -8.918 -4.982 -1.925 78 1HB PHE 10 2HB PHE 10 -7.055 -6.239 -2.769 79 2HB PHE 10 3HB PHE 10 -6.912 -7.183 -1.300 80 HD1 PHE 10 HD1 PHE 10 -8.541 -6.912 -4.539 81 HD2 PHE 10 HD2 PHE 10 -8.400 -9.104 -0.908 82 HE1 PHE 10 HE1 PHE 10 -9.809 -8.787 -5.622 83 HE2 PHE 10 HE2 PHE 10 -9.668 -10.979 -1.991 84 HZ PHE 10 HZ PHE 10 -10.358 -10.799 -4.335 85 H GLU 11 HN GLU 11 -8.353 -7.574 0.569 86 HA GLU 11 HA GLU 11 -10.872 -8.683 0.269 87 1HB GLU 11 2HB GLU 11 -8.544 -9.044 1.950 88 2HB GLU 11 3HB GLU 11 -9.976 -9.102 2.958 89 1HG GLU 11 2HG GLU 11 -10.815 -10.630 0.829 90 2HG GLU 11 3HG GLU 11 -9.096 -10.973 0.801 91 H LYS 12 HN LYS 12 -9.597 -6.126 2.468 92 HA LYS 12 HA LYS 12 -11.875 -5.899 4.060 93 1HB LYS 12 2HB LYS 12 -9.583 -4.987 4.532 94 2HB LYS 12 3HB LYS 12 -9.881 -3.727 3.352 95 1HG LYS 12 2HG LYS 12 -12.134 -3.398 4.789 96 2HG LYS 12 3HG LYS 12 -11.173 -4.153 6.045 97 1HD LYS 12 2HD LYS 12 -9.493 -2.196 4.784 98 2HD LYS 12 3HD LYS 12 -11.044 -1.428 5.058 99 1HE LYS 12 2HE LYS 12 -10.006 -3.072 7.334 100 2HE LYS 12 3HE LYS 12 -9.085 -1.627 6.968 101 1HZ LYS 12 1HZ LYS 12 -11.892 -1.180 6.954 102 2HZ LYS 12 2HZ LYS 12 -11.351 -1.705 8.403 103 3HZ LYS 12 3HZ LYS 12 -10.713 -0.360 7.732 104 H TYR 13 HN TYR 13 -11.330 -5.147 0.725 105 HA TYR 13 HA TYR 13 -13.490 -3.187 0.689 106 1HB TYR 13 2HB TYR 13 -11.130 -4.063 -0.913 107 2HB TYR 13 3HB TYR 13 -12.544 -3.825 -1.921 108 HD1 TYR 13 HD1 TYR 13 -10.411 -2.116 0.625 109 HD2 TYR 13 HD2 TYR 13 -13.176 -1.661 -2.608 110 HE1 TYR 13 HE1 TYR 13 -9.975 0.389 0.595 111 HE2 TYR 13 HE2 TYR 13 -12.731 0.842 -2.627 112 HH TYR 13 HH TYR 13 -11.791 2.508 -1.588 113 H ALA 14 HN ALA 14 -12.590 -6.430 -0.641 114 HA ALA 14 HA ALA 14 -14.976 -6.761 -2.090 115 1HB ALA 14 1HB ALA 14 -12.802 -7.991 -2.418 116 2HB ALA 14 2HB ALA 14 -13.144 -8.890 -0.920 117 3HB ALA 14 3HB ALA 14 -14.227 -9.052 -2.323 118 H ALA 15 HN ALA 15 -14.357 -6.614 1.272 119 HA ALA 15 HA ALA 15 -16.402 -8.511 2.010 120 1HB ALA 15 1HB ALA 15 -14.203 -7.923 3.268 121 2HB ALA 15 2HB ALA 15 -15.080 -6.475 3.819 122 3HB ALA 15 3HB ALA 15 -15.697 -8.096 4.220 123 H LYS 16 HN LYS 16 -16.054 -5.076 1.273 124 HA LYS 16 HA LYS 16 -18.177 -4.038 2.692 125 1HB LYS 16 2HB LYS 16 -16.456 -3.251 0.498 126 2HB LYS 16 3HB LYS 16 -18.095 -2.703 0.210 127 1HG LYS 16 2HG LYS 16 -17.169 -0.948 1.496 128 2HG LYS 16 3HG LYS 16 -18.066 -1.874 2.683 129 1HD LYS 16 2HD LYS 16 -15.849 -3.163 3.117 130 2HD LYS 16 3HD LYS 16 -15.061 -1.902 2.189 131 1HE LYS 16 2HE LYS 16 -16.725 -0.505 4.006 132 2HE LYS 16 3HE LYS 16 -16.059 -1.823 4.949 133 1HZ LYS 16 1HZ LYS 16 -13.946 -0.933 3.544 134 2HZ LYS 16 2HZ LYS 16 -14.744 0.452 3.877 135 3HZ LYS 16 3HZ LYS 16 -14.282 -0.537 5.092 136 H GLU 17 HN GLU 17 -18.248 -5.035 -0.807 137 HA GLU 17 HA GLU 17 -21.046 -5.715 -0.332 138 1HB GLU 17 2HB GLU 17 -19.680 -4.477 -2.744 139 2HB GLU 17 3HB GLU 17 -21.224 -5.290 -2.902 140 1HG GLU 17 2HG GLU 17 -21.556 -3.621 -0.648 141 2HG GLU 17 3HG GLU 17 -20.623 -2.646 -1.766 142 H GLY 18 HN GLY 18 -21.659 -7.813 -0.748 143 1HA GLY 18 1HA GLY 18 -21.561 -9.947 -1.456 144 2HA GLY 18 2HA GLY 18 -20.480 -9.434 -2.737 145 H ASP 19 HN ASP 19 -19.891 -11.865 -1.783 146 HA ASP 19 HA ASP 19 -18.474 -12.097 0.518 147 1HB ASP 19 2HB ASP 19 -19.147 -13.815 -1.405 148 2HB ASP 19 3HB ASP 19 -17.534 -13.485 -2.005 149 HA PRO 20 HA PRO 20 -14.773 -9.913 -0.386 150 1HB PRO 20 2HB PRO 20 -13.118 -10.911 1.546 151 2HB PRO 20 3HB PRO 20 -14.291 -9.646 1.850 152 1HG PRO 20 2HG PRO 20 -14.407 -12.503 2.604 153 2HG PRO 20 3HG PRO 20 -15.331 -11.159 3.247 154 1HD PRO 20 2HD PRO 20 -16.253 -13.146 1.395 155 2HD PRO 20 3HD PRO 20 -17.138 -11.738 1.948 156 H ASN 21 HN ASN 21 -15.251 -13.042 -1.113 157 HA ASN 21 HA ASN 21 -12.511 -13.451 -1.927 158 1HB ASN 21 2HB ASN 21 -14.998 -15.227 -1.916 159 2HB ASN 21 3HB ASN 21 -13.507 -15.735 -2.685 160 1HD2 ASN 21 1HD2 ASN 21 -14.555 -17.198 -0.668 161 2HD2 ASN 21 2HD2 ASN 21 -13.586 -17.095 0.764 162 H GLN 22 HN GLN 22 -15.083 -11.754 -3.073 163 HA GLN 22 HA GLN 22 -14.260 -12.155 -5.795 164 1HB GLN 22 2HB GLN 22 -16.792 -12.175 -6.464 165 2HB GLN 22 3HB GLN 22 -16.040 -13.672 -5.951 166 1HG GLN 22 2HG GLN 22 -16.945 -12.388 -3.563 167 2HG GLN 22 3HG GLN 22 -18.248 -12.223 -4.723 168 1HE2 GLN 22 1HE2 GLN 22 -15.851 -14.626 -3.639 169 2HE2 GLN 22 2HE2 GLN 22 -16.908 -15.998 -3.618 170 H LEU 23 HN LEU 23 -14.140 -10.193 -6.844 171 HA LEU 23 HA LEU 23 -15.160 -7.902 -5.366 172 1HB LEU 23 2HB LEU 23 -13.117 -8.269 -7.544 173 2HB LEU 23 3HB LEU 23 -13.750 -6.686 -7.138 174 HG LEU 23 HG LEU 23 -11.522 -7.506 -6.081 175 1HD1 LEU 23 1HD1 LEU 23 -11.730 -5.847 -4.557 176 2HD1 LEU 23 2HD1 LEU 23 -13.227 -5.524 -5.464 177 3HD1 LEU 23 3HD1 LEU 23 -13.289 -6.447 -3.943 178 1HD2 LEU 23 1HD2 LEU 23 -13.501 -8.850 -4.220 179 2HD2 LEU 23 2HD2 LEU 23 -12.350 -9.673 -5.299 180 3HD2 LEU 23 3HD2 LEU 23 -11.750 -8.678 -3.951 181 H SER 24 HN SER 24 -16.231 -6.117 -6.603 182 HA SER 24 HA SER 24 -17.714 -7.209 -8.860 183 1HB SER 24 2HB SER 24 -18.943 -5.336 -6.804 184 2HB SER 24 3HB SER 24 -19.770 -6.246 -8.053 185 HG SER 24 HG SER 24 -19.653 -8.088 -6.877 186 H LYS 25 HN LYS 25 -18.629 -5.457 -10.314 187 HA LYS 25 HA LYS 25 -16.688 -3.647 -11.041 188 1HB LYS 25 2HB LYS 25 -18.475 -4.470 -12.513 189 2HB LYS 25 3HB LYS 25 -19.669 -3.576 -11.596 190 1HG LYS 25 2HG LYS 25 -18.091 -1.494 -12.103 191 2HG LYS 25 3HG LYS 25 -17.478 -2.509 -13.393 192 1HD LYS 25 2HD LYS 25 -20.250 -2.804 -13.645 193 2HD LYS 25 3HD LYS 25 -20.084 -1.126 -13.168 194 1HE LYS 25 2HE LYS 25 -18.098 -1.235 -15.034 195 2HE LYS 25 3HE LYS 25 -19.139 -2.494 -15.668 196 1HZ LYS 25 1HZ LYS 25 -20.893 -0.582 -15.111 197 2HZ LYS 25 2HZ LYS 25 -19.598 0.326 -15.518 198 3HZ LYS 25 3HZ LYS 25 -20.190 -0.772 -16.573 199 H GLU 26 HN GLU 26 -19.812 -2.953 -9.310 200 HA GLU 26 HA GLU 26 -19.290 -0.308 -8.872 201 1HB GLU 26 2HB GLU 26 -21.229 -2.254 -8.050 202 2HB GLU 26 3HB GLU 26 -20.720 -1.401 -6.606 203 1HG GLU 26 2HG GLU 26 -20.987 0.675 -8.449 204 2HG GLU 26 3HG GLU 26 -22.275 -0.412 -8.930 205 H GLU 27 HN GLU 27 -18.252 -3.212 -7.039 206 HA GLU 27 HA GLU 27 -17.313 -1.819 -4.818 207 1HB GLU 27 2HB GLU 27 -17.158 -4.564 -5.907 208 2HB GLU 27 3HB GLU 27 -15.746 -4.117 -4.970 209 1HG GLU 27 2HG GLU 27 -18.303 -3.285 -3.714 210 2HG GLU 27 3HG GLU 27 -18.159 -5.020 -3.914 211 H LEU 28 HN LEU 28 -15.474 -3.318 -7.584 212 HA LEU 28 HA LEU 28 -13.002 -2.359 -6.947 213 1HB LEU 28 2HB LEU 28 -13.836 -3.951 -8.807 214 2HB LEU 28 3HB LEU 28 -13.979 -2.503 -9.784 215 HG LEU 28 HG LEU 28 -11.728 -2.240 -10.007 216 1HD1 LEU 28 1HD1 LEU 28 -11.401 -3.527 -7.288 217 2HD1 LEU 28 2HD1 LEU 28 -10.040 -3.069 -8.340 218 3HD1 LEU 28 3HD1 LEU 28 -11.155 -1.821 -7.733 219 1HD2 LEU 28 1HD2 LEU 28 -10.605 -4.417 -10.267 220 2HD2 LEU 28 2HD2 LEU 28 -11.937 -5.198 -9.382 221 3HD2 LEU 28 3HD2 LEU 28 -12.250 -4.415 -10.949 222 H LYS 29 HN LYS 29 -15.716 -0.687 -8.607 223 HA LYS 29 HA LYS 29 -14.447 1.523 -9.542 224 1HB LYS 29 2HB LYS 29 -16.824 0.990 -9.883 225 2HB LYS 29 3HB LYS 29 -17.167 1.372 -8.208 226 1HG LYS 29 2HG LYS 29 -16.607 3.701 -8.513 227 2HG LYS 29 3HG LYS 29 -15.844 3.395 -10.061 228 1HD LYS 29 2HD LYS 29 -17.919 3.053 -11.169 229 2HD LYS 29 3HD LYS 29 -18.774 2.716 -9.676 230 1HE LYS 29 2HE LYS 29 -18.020 5.239 -9.092 231 2HE LYS 29 3HE LYS 29 -17.958 5.376 -10.838 232 1HZ LYS 29 1HZ LYS 29 -20.300 4.113 -9.710 233 2HZ LYS 29 2HZ LYS 29 -20.157 5.726 -9.496 234 3HZ LYS 29 3HZ LYS 29 -20.172 5.101 -11.005 235 H LEU 30 HN LEU 30 -15.806 1.093 -6.199 236 HA LEU 30 HA LEU 30 -14.962 3.521 -5.208 237 1HB LEU 30 2HB LEU 30 -15.230 0.879 -3.767 238 2HB LEU 30 3HB LEU 30 -15.150 2.455 -3.004 239 HG LEU 30 HG LEU 30 -17.374 1.266 -4.650 240 1HD1 LEU 30 1HD1 LEU 30 -18.577 2.409 -2.557 241 2HD1 LEU 30 2HD1 LEU 30 -17.883 0.771 -2.494 242 3HD1 LEU 30 3HD1 LEU 30 -16.969 2.149 -1.837 243 1HD2 LEU 30 1HD2 LEU 30 -17.369 3.318 -5.693 244 2HD2 LEU 30 2HD2 LEU 30 -18.434 3.635 -4.302 245 3HD2 LEU 30 3HD2 LEU 30 -16.736 4.170 -4.264 246 H LEU 31 HN LEU 31 -13.270 0.310 -4.988 247 HA LEU 31 HA LEU 31 -11.003 1.169 -3.742 248 1HB LEU 31 2HB LEU 31 -11.816 -1.173 -4.477 249 2HB LEU 31 3HB LEU 31 -10.936 -0.856 -5.959 250 HG LEU 31 HG LEU 31 -9.331 -0.324 -3.567 251 1HD1 LEU 31 1HD1 LEU 31 -9.238 -3.129 -3.655 252 2HD1 LEU 31 2HD1 LEU 31 -9.830 -2.097 -2.330 253 3HD1 LEU 31 3HD1 LEU 31 -10.964 -2.704 -3.561 254 1HD2 LEU 31 1HD2 LEU 31 -8.341 -2.402 -5.304 255 2HD2 LEU 31 2HD2 LEU 31 -8.957 -1.034 -6.262 256 3HD2 LEU 31 3HD2 LEU 31 -7.712 -0.762 -5.019 257 H LEU 32 HN LEU 32 -11.307 0.747 -7.344 258 HA LEU 32 HA LEU 32 -8.971 1.982 -8.016 259 1HB LEU 32 2HB LEU 32 -11.583 2.081 -9.533 260 2HB LEU 32 3HB LEU 32 -9.986 2.356 -10.201 261 HG LEU 32 HG LEU 32 -10.855 -0.259 -8.944 262 1HD1 LEU 32 1HD1 LEU 32 -12.261 -0.034 -10.816 263 2HD1 LEU 32 2HD1 LEU 32 -10.968 0.677 -11.812 264 3HD1 LEU 32 3HD1 LEU 32 -10.905 -1.046 -11.369 265 1HD2 LEU 32 1HD2 LEU 32 -8.873 -1.203 -9.804 266 2HD2 LEU 32 2HD2 LEU 32 -8.528 0.226 -10.808 267 3HD2 LEU 32 3HD2 LEU 32 -8.384 0.327 -9.036 268 H GLN 33 HN GLN 33 -11.872 3.382 -6.650 269 HA GLN 33 HA GLN 33 -11.454 5.978 -7.634 270 1HB GLN 33 2HB GLN 33 -13.485 4.674 -6.288 271 2HB GLN 33 3HB GLN 33 -12.846 5.705 -5.023 272 1HG GLN 33 2HG GLN 33 -13.046 7.686 -6.562 273 2HG GLN 33 3HG GLN 33 -13.732 6.644 -7.793 274 1HE2 GLN 33 1HE2 GLN 33 -15.583 5.217 -6.958 275 2HE2 GLN 33 2HE2 GLN 33 -16.807 6.006 -6.021 276 H THR 34 HN THR 34 -11.024 4.611 -4.282 277 HA THR 34 HA THR 34 -9.341 6.843 -3.571 278 HB THR 34 HB THR 34 -10.795 4.597 -2.267 279 HG1 THR 34 HG1 THR 34 -11.491 6.522 -1.433 280 1HG2 THR 34 1HG2 THR 34 -9.358 4.887 -0.171 281 2HG2 THR 34 2HG2 THR 34 -8.580 3.935 -1.459 282 3HG2 THR 34 3HG2 THR 34 -8.117 5.635 -1.205 283 H GLU 35 HN GLU 35 -8.920 3.279 -4.044 284 HA GLU 35 HA GLU 35 -6.320 3.095 -3.388 285 1HB GLU 35 2HB GLU 35 -7.626 1.140 -3.984 286 2HB GLU 35 3HB GLU 35 -7.859 1.715 -5.623 287 1HG GLU 35 2HG GLU 35 -5.997 0.572 -6.224 288 2HG GLU 35 3HG GLU 35 -5.053 1.709 -5.282 289 H PHE 36 HN PHE 36 -7.570 3.744 -6.748 290 HA PHE 36 HA PHE 36 -5.334 5.520 -7.179 291 1HB PHE 36 2HB PHE 36 -5.800 2.797 -8.461 292 2HB PHE 36 3HB PHE 36 -5.131 4.064 -9.469 293 HD1 PHE 36 HD1 PHE 36 -4.383 1.500 -7.153 294 HD2 PHE 36 HD2 PHE 36 -3.014 5.268 -8.546 295 HE1 PHE 36 HE1 PHE 36 -2.090 0.995 -6.265 296 HE2 PHE 36 HE2 PHE 36 -0.721 4.763 -7.658 297 HZ PHE 36 HZ PHE 36 -0.287 2.633 -6.528 298 HA PRO 37 HA PRO 37 -9.064 6.923 -9.219 299 1HB PRO 37 2HB PRO 37 -8.806 9.565 -8.570 300 2HB PRO 37 3HB PRO 37 -9.701 8.421 -7.590 301 1HG PRO 37 2HG PRO 37 -7.034 9.596 -7.095 302 2HG PRO 37 3HG PRO 37 -8.113 8.806 -5.962 303 1HD PRO 37 2HD PRO 37 -5.755 7.688 -7.152 304 2HD PRO 37 3HD PRO 37 -6.896 6.861 -6.110 305 H SER 38 HN SER 38 -5.879 7.081 -9.799 306 HA SER 38 HA SER 38 -6.125 8.994 -11.932 307 1HB SER 38 2HB SER 38 -3.649 8.331 -12.280 308 2HB SER 38 3HB SER 38 -4.055 9.175 -10.799 309 HG SER 38 HG SER 38 -3.227 6.496 -11.189 310 H LEU 39 HN LEU 39 -5.931 5.478 -11.353 311 HA LEU 39 HA LEU 39 -5.429 4.785 -14.056 312 1HB LEU 39 2HB LEU 39 -5.662 3.495 -11.519 313 2HB LEU 39 3HB LEU 39 -6.724 2.679 -12.649 314 HG LEU 39 HG LEU 39 -4.282 1.863 -12.372 315 1HD1 LEU 39 1HD1 LEU 39 -5.891 2.165 -14.861 316 2HD1 LEU 39 2HD1 LEU 39 -4.220 1.573 -15.020 317 3HD1 LEU 39 3HD1 LEU 39 -5.378 0.700 -13.989 318 1HD2 LEU 39 1HD2 LEU 39 -3.542 4.367 -12.848 319 2HD2 LEU 39 2HD2 LEU 39 -2.546 2.976 -13.340 320 3HD2 LEU 39 3HD2 LEU 39 -3.581 3.796 -14.534 321 H LEU 40 HN LEU 40 -8.221 5.867 -12.271 322 HA LEU 40 HA LEU 40 -10.144 4.601 -13.953 323 1HB LEU 40 2HB LEU 40 -10.318 6.846 -11.943 324 2HB LEU 40 3HB LEU 40 -11.701 6.199 -12.804 325 HG LEU 40 HG LEU 40 -9.903 4.608 -10.953 326 1HD1 LEU 40 1HD1 LEU 40 -11.826 4.633 -9.404 327 2HD1 LEU 40 2HD1 LEU 40 -11.154 6.256 -9.695 328 3HD1 LEU 40 3HD1 LEU 40 -12.667 5.763 -10.493 329 1HD2 LEU 40 1HD2 LEU 40 -12.132 3.865 -12.770 330 2HD2 LEU 40 2HD2 LEU 40 -10.725 2.923 -12.220 331 3HD2 LEU 40 3HD2 LEU 40 -12.133 3.127 -11.150 332 H LYS 41 HN LYS 41 -8.119 7.466 -14.096 333 HA LYS 41 HA LYS 41 -9.758 8.913 -15.900 334 1HB LYS 41 2HB LYS 41 -6.820 9.114 -15.181 335 2HB LYS 41 3HB LYS 41 -7.641 10.232 -16.251 336 1HG LYS 41 2HG LYS 41 -8.582 9.641 -13.408 337 2HG LYS 41 3HG LYS 41 -7.509 10.967 -13.809 338 1HD LYS 41 2HD LYS 41 -9.585 11.272 -15.662 339 2HD LYS 41 3HD LYS 41 -10.427 10.719 -14.228 340 1HE LYS 41 2HE LYS 41 -9.649 12.561 -12.911 341 2HE LYS 41 3HE LYS 41 -8.366 12.945 -14.040 342 1HZ LYS 41 1HZ LYS 41 -11.159 13.610 -14.172 343 2HZ LYS 41 2HZ LYS 41 -9.862 14.441 -14.714 344 3HZ LYS 41 3HZ LYS 41 -10.469 13.209 -15.598 345 H GLY 42 HN GLY 42 -7.314 6.342 -16.180 346 1HA GLY 42 1HA GLY 42 -6.435 6.476 -18.720 347 2HA GLY 42 2HA GLY 42 -6.892 4.977 -17.935 348 H MET 43 HN MET 43 -7.156 5.193 -20.700 349 HA MET 43 HA MET 43 -9.730 6.095 -21.408 350 1HB MET 43 2HB MET 43 -7.771 4.187 -22.804 351 2HB MET 43 3HB MET 43 -9.171 4.900 -23.580 352 1HG MET 43 2HG MET 43 -7.213 6.758 -22.227 353 2HG MET 43 3HG MET 43 -6.737 6.035 -23.751 354 1HE MET 43 1HE MET 43 -6.496 8.581 -23.940 355 2HE MET 43 2HE MET 43 -7.688 9.510 -24.879 356 3HE MET 43 3HE MET 43 -7.757 9.515 -23.101 357 H SER 44 HN SER 44 -8.781 3.486 -19.533 358 HA SER 44 HA SER 44 -10.675 1.636 -20.656 359 1HB SER 44 2HB SER 44 -8.957 1.399 -18.146 360 2HB SER 44 3HB SER 44 -9.858 0.097 -18.896 361 HG SER 44 HG SER 44 -8.179 -0.238 -20.165 362 H THR 45 HN THR 45 -12.781 2.361 -20.274 363 HA THR 45 HA THR 45 -13.534 3.696 -17.898 364 HB THR 45 HB THR 45 -15.820 3.388 -18.881 365 HG1 THR 45 HG1 THR 45 -15.992 1.577 -20.138 366 1HG2 THR 45 1HG2 THR 45 -13.702 4.755 -20.124 367 2HG2 THR 45 2HG2 THR 45 -14.352 3.729 -21.424 368 3HG2 THR 45 3HG2 THR 45 -15.418 4.877 -20.580 369 H LEU 46 HN LEU 46 -15.437 2.839 -16.516 370 HA LEU 46 HA LEU 46 -14.481 0.794 -14.958 371 1HB LEU 46 2HB LEU 46 -16.409 2.616 -14.714 372 2HB LEU 46 3HB LEU 46 -17.420 1.242 -15.114 373 HG LEU 46 HG LEU 46 -15.876 0.133 -13.175 374 1HD1 LEU 46 1HD1 LEU 46 -16.253 2.999 -12.273 375 2HD1 LEU 46 2HD1 LEU 46 -15.502 1.661 -11.370 376 3HD1 LEU 46 3HD1 LEU 46 -14.706 2.313 -12.822 377 1HD2 LEU 46 1HD2 LEU 46 -18.324 0.071 -13.334 378 2HD2 LEU 46 2HD2 LEU 46 -17.776 0.434 -11.680 379 3HD2 LEU 46 3HD2 LEU 46 -18.407 1.737 -12.715 380 H ASP 47 HN ASP 47 -17.332 0.560 -17.209 381 HA ASP 47 HA ASP 47 -17.762 -2.056 -17.049 382 1HB ASP 47 2HB ASP 47 -18.559 -0.017 -18.737 383 2HB ASP 47 3HB ASP 47 -17.691 -1.047 -19.857 384 H GLU 48 HN GLU 48 -15.459 -0.404 -19.344 385 HA GLU 48 HA GLU 48 -14.512 -2.651 -20.570 386 1HB GLU 48 2HB GLU 48 -13.778 0.152 -20.353 387 2HB GLU 48 3HB GLU 48 -12.326 -0.830 -20.338 388 1HG GLU 48 2HG GLU 48 -13.609 -2.092 -22.355 389 2HG GLU 48 3HG GLU 48 -14.401 -0.536 -22.502 390 H LEU 49 HN LEU 49 -13.348 -1.011 -17.561 391 HA LEU 49 HA LEU 49 -11.164 -2.725 -17.161 392 1HB LEU 49 2HB LEU 49 -12.067 -0.402 -16.078 393 2HB LEU 49 3HB LEU 49 -12.469 -1.532 -14.799 394 HG LEU 49 HG LEU 49 -9.942 -2.315 -15.216 395 1HD1 LEU 49 1HD1 LEU 49 -9.340 -0.883 -16.992 396 2HD1 LEU 49 2HD1 LEU 49 -10.038 0.543 -16.188 397 3HD1 LEU 49 3HD1 LEU 49 -8.561 -0.210 -15.541 398 1HD2 LEU 49 1HD2 LEU 49 -11.335 -0.775 -13.301 399 2HD2 LEU 49 2HD2 LEU 49 -9.810 -1.670 -13.099 400 3HD2 LEU 49 3HD2 LEU 49 -9.779 0.042 -13.583 401 H PHE 50 HN PHE 50 -14.603 -2.812 -16.080 402 HA PHE 50 HA PHE 50 -14.349 -4.985 -14.373 403 1HB PHE 50 2HB PHE 50 -16.303 -3.332 -14.772 404 2HB PHE 50 3HB PHE 50 -16.664 -4.210 -16.246 405 HD1 PHE 50 HD1 PHE 50 -15.711 -5.529 -12.894 406 HD2 PHE 50 HD2 PHE 50 -18.725 -5.207 -15.864 407 HE1 PHE 50 HE1 PHE 50 -17.159 -7.116 -11.596 408 HE2 PHE 50 HE2 PHE 50 -20.174 -6.794 -14.566 409 HZ PHE 50 HZ PHE 50 -19.373 -7.729 -12.447 410 H GLU 51 HN GLU 51 -15.333 -4.869 -17.872 411 HA GLU 51 HA GLU 51 -15.519 -7.661 -18.039 412 1HB GLU 51 2HB GLU 51 -15.924 -5.352 -19.767 413 2HB GLU 51 3HB GLU 51 -15.071 -6.607 -20.643 414 1HG GLU 51 2HG GLU 51 -16.840 -8.262 -19.789 415 2HG GLU 51 3HG GLU 51 -17.734 -6.884 -19.179 416 H GLU 52 HN GLU 52 -12.945 -5.253 -18.731 417 HA GLU 52 HA GLU 52 -11.248 -7.006 -20.054 418 1HB GLU 52 2HB GLU 52 -10.972 -4.570 -20.156 419 2HB GLU 52 3HB GLU 52 -10.658 -4.492 -18.433 420 1HG GLU 52 2HG GLU 52 -8.578 -5.759 -18.682 421 2HG GLU 52 3HG GLU 52 -8.927 -6.101 -20.365 422 H LEU 53 HN LEU 53 -11.231 -5.866 -16.597 423 HA LEU 53 HA LEU 53 -9.140 -7.459 -15.754 424 1HB LEU 53 2HB LEU 53 -11.552 -6.515 -14.199 425 2HB LEU 53 3HB LEU 53 -10.059 -7.113 -13.505 426 HG LEU 53 HG LEU 53 -9.945 -4.773 -15.377 427 1HD1 LEU 53 1HD1 LEU 53 -11.176 -3.434 -14.112 428 2HD1 LEU 53 2HD1 LEU 53 -11.562 -4.793 -13.029 429 3HD1 LEU 53 3HD1 LEU 53 -10.131 -3.783 -12.714 430 1HD2 LEU 53 1HD2 LEU 53 -7.960 -6.076 -14.266 431 2HD2 LEU 53 2HD2 LEU 53 -7.929 -4.300 -14.379 432 3HD2 LEU 53 3HD2 LEU 53 -8.373 -5.087 -12.845 433 H ASP 54 HN ASP 54 -12.704 -8.132 -15.727 434 HA ASP 54 HA ASP 54 -12.363 -10.697 -14.679 435 1HB ASP 54 2HB ASP 54 -14.501 -9.441 -14.583 436 2HB ASP 54 3HB ASP 54 -14.626 -9.480 -16.330 437 H LYS 55 HN LYS 55 -11.226 -12.281 -15.825 438 HA LYS 55 HA LYS 55 -11.783 -12.465 -18.704 439 1HB LYS 55 2HB LYS 55 -9.233 -12.456 -17.195 440 2HB LYS 55 3HB LYS 55 -9.365 -13.685 -18.437 441 1HG LYS 55 2HG LYS 55 -10.357 -11.576 -19.839 442 2HG LYS 55 3HG LYS 55 -9.344 -10.693 -18.715 443 1HD LYS 55 2HD LYS 55 -7.390 -12.130 -19.358 444 2HD LYS 55 3HD LYS 55 -8.406 -12.994 -20.495 445 1HE LYS 55 2HE LYS 55 -8.811 -10.905 -21.772 446 2HE LYS 55 3HE LYS 55 -7.888 -9.983 -20.602 447 1HZ LYS 55 1HZ LYS 55 -6.808 -10.953 -22.752 448 2HZ LYS 55 2HZ LYS 55 -5.957 -10.823 -21.364 449 3HZ LYS 55 3HZ LYS 55 -6.582 -12.265 -21.807 450 H ASN 56 HN ASN 56 -12.365 -13.791 -15.685 451 HA ASN 56 HA ASN 56 -12.135 -16.517 -16.583 452 1HB ASN 56 2HB ASN 56 -13.324 -15.509 -13.952 453 2HB ASN 56 3HB ASN 56 -12.703 -17.114 -14.284 454 1HD2 ASN 56 1HD2 ASN 56 -10.427 -17.351 -14.765 455 2HD2 ASN 56 2HD2 ASN 56 -9.265 -16.295 -14.035 456 H GLY 57 HN GLY 57 -14.171 -14.155 -17.385 457 1HA GLY 57 1HA GLY 57 -16.408 -13.875 -17.686 458 2HA GLY 57 2HA GLY 57 -16.266 -15.495 -18.338 459 H ASP 58 HN ASP 58 -16.429 -13.889 -15.072 460 HA ASP 58 HA ASP 58 -18.438 -15.887 -14.403 461 1HB ASP 58 2HB ASP 58 -17.480 -15.693 -12.002 462 2HB ASP 58 3HB ASP 58 -16.564 -16.638 -13.160 463 H GLY 59 HN GLY 59 -16.781 -12.822 -13.313 464 1HA GLY 59 1HA GLY 59 -18.323 -10.839 -13.477 465 2HA GLY 59 2HA GLY 59 -19.416 -11.775 -12.477 466 H GLU 60 HN GLU 60 -16.441 -12.809 -11.451 467 HA GLU 60 HA GLU 60 -16.397 -10.749 -9.391 468 1HB GLU 60 2HB GLU 60 -15.321 -13.596 -9.216 469 2HB GLU 60 3HB GLU 60 -15.446 -12.448 -7.898 470 1HG GLU 60 2HG GLU 60 -17.641 -13.965 -9.309 471 2HG GLU 60 3HG GLU 60 -17.382 -13.745 -7.590 472 H VAL 61 HN VAL 61 -14.534 -9.554 -9.054 473 HA VAL 61 HA VAL 61 -12.297 -10.210 -10.831 474 HB VAL 61 HB VAL 61 -13.253 -7.648 -9.555 475 1HG1 VAL 61 1HG1 VAL 61 -10.560 -8.392 -10.494 476 2HG1 VAL 61 2HG1 VAL 61 -11.202 -6.896 -11.214 477 3HG1 VAL 61 3HG1 VAL 61 -11.084 -7.052 -9.445 478 1HG2 VAL 61 1HG2 VAL 61 -13.864 -6.954 -11.671 479 2HG2 VAL 61 2HG2 VAL 61 -12.712 -8.043 -12.482 480 3HG2 VAL 61 3HG2 VAL 61 -14.208 -8.698 -11.774 481 H SER 62 HN SER 62 -12.155 -11.972 -8.918 482 HA SER 62 HA SER 62 -11.328 -11.259 -6.434 483 1HB SER 62 2HB SER 62 -9.794 -13.547 -7.377 484 2HB SER 62 3HB SER 62 -11.107 -13.500 -6.217 485 HG SER 62 HG SER 62 -11.289 -13.731 -9.091 486 H PHE 63 HN PHE 63 -9.001 -11.558 -5.510 487 HA PHE 63 HA PHE 63 -7.363 -9.603 -6.444 488 1HB PHE 63 2HB PHE 63 -7.314 -10.939 -4.245 489 2HB PHE 63 3HB PHE 63 -6.596 -12.275 -5.122 490 HD1 PHE 63 HD1 PHE 63 -6.007 -8.643 -4.485 491 HD2 PHE 63 HD2 PHE 63 -4.296 -12.473 -5.125 492 HE1 PHE 63 HE1 PHE 63 -3.722 -7.694 -4.061 493 HE2 PHE 63 HE2 PHE 63 -2.011 -11.524 -4.701 494 HZ PHE 63 HZ PHE 63 -1.752 -9.145 -4.174 495 H GLU 64 HN GLU 64 -7.615 -12.992 -7.530 496 HA GLU 64 HA GLU 64 -5.211 -13.274 -8.763 497 1HB GLU 64 2HB GLU 64 -6.675 -14.724 -10.439 498 2HB GLU 64 3HB GLU 64 -6.474 -15.221 -8.770 499 1HG GLU 64 2HG GLU 64 -8.686 -14.934 -8.312 500 2HG GLU 64 3HG GLU 64 -8.711 -13.340 -9.040 501 H GLU 65 HN GLU 65 -8.274 -11.883 -10.127 502 HA GLU 65 HA GLU 65 -7.030 -11.261 -12.579 503 1HB GLU 65 2HB GLU 65 -9.631 -10.220 -11.369 504 2HB GLU 65 3HB GLU 65 -9.152 -10.032 -13.045 505 1HG GLU 65 2HG GLU 65 -9.593 -12.240 -13.570 506 2HG GLU 65 3HG GLU 65 -9.056 -12.834 -12.011 507 H PHE 66 HN PHE 66 -7.513 -9.607 -9.467 508 HA PHE 66 HA PHE 66 -7.115 -6.992 -10.288 509 1HB PHE 66 2HB PHE 66 -7.856 -7.841 -8.016 510 2HB PHE 66 3HB PHE 66 -6.260 -8.517 -7.753 511 HD1 PHE 66 HD1 PHE 66 -4.456 -7.156 -6.999 512 HD2 PHE 66 HD2 PHE 66 -8.150 -5.366 -8.077 513 HE1 PHE 66 HE1 PHE 66 -3.712 -4.995 -5.961 514 HE2 PHE 66 HE2 PHE 66 -7.406 -3.206 -7.038 515 HZ PHE 66 HZ PHE 66 -5.196 -3.046 -5.993 516 H GLN 67 HN GLN 67 -4.818 -9.669 -9.747 517 HA GLN 67 HA GLN 67 -2.534 -8.140 -9.497 518 1HB GLN 67 2HB GLN 67 -2.646 -10.860 -10.851 519 2HB GLN 67 3HB GLN 67 -1.328 -10.182 -9.916 520 1HG GLN 67 2HG GLN 67 -3.354 -10.063 -8.059 521 2HG GLN 67 3HG GLN 67 -3.856 -11.469 -8.977 522 1HE2 GLN 67 1HE2 GLN 67 -1.517 -10.091 -6.843 523 2HE2 GLN 67 2HE2 GLN 67 -0.594 -11.517 -6.503 524 H VAL 68 HN VAL 68 -4.637 -8.620 -12.201 525 HA VAL 68 HA VAL 68 -2.630 -8.283 -14.217 526 HB VAL 68 HB VAL 68 -5.641 -8.044 -14.372 527 1HG1 VAL 68 1HG1 VAL 68 -3.460 -8.318 -16.446 528 2HG1 VAL 68 2HG1 VAL 68 -5.140 -8.802 -16.780 529 3HG1 VAL 68 3HG1 VAL 68 -4.769 -7.116 -16.349 530 1HG2 VAL 68 1HG2 VAL 68 -4.467 -10.256 -13.478 531 2HG2 VAL 68 2HG2 VAL 68 -5.843 -10.317 -14.605 532 3HG2 VAL 68 3HG2 VAL 68 -4.183 -10.518 -15.216 533 H LEU 69 HN LEU 69 -4.868 -6.244 -12.319 534 HA LEU 69 HA LEU 69 -4.350 -3.933 -13.937 535 1HB LEU 69 2HB LEU 69 -6.461 -4.575 -12.571 536 2HB LEU 69 3HB LEU 69 -5.585 -3.921 -11.201 537 HG LEU 69 HG LEU 69 -5.471 -1.737 -12.210 538 1HD1 LEU 69 1HD1 LEU 69 -7.029 -1.729 -14.484 539 2HD1 LEU 69 2HD1 LEU 69 -5.252 -1.642 -14.429 540 3HD1 LEU 69 3HD1 LEU 69 -6.059 -3.210 -14.669 541 1HD2 LEU 69 1HD2 LEU 69 -8.212 -3.007 -12.298 542 2HD2 LEU 69 2HD2 LEU 69 -7.467 -2.060 -10.988 543 3HD2 LEU 69 3HD2 LEU 69 -7.944 -1.260 -12.504 544 H VAL 70 HN VAL 70 -2.928 -5.561 -11.157 545 HA VAL 70 HA VAL 70 -1.666 -3.444 -9.919 546 HB VAL 70 HB VAL 70 -1.170 -6.372 -10.221 547 1HG1 VAL 70 1HG1 VAL 70 0.764 -6.053 -8.550 548 2HG1 VAL 70 2HG1 VAL 70 1.087 -5.717 -10.267 549 3HG1 VAL 70 3HG1 VAL 70 0.817 -4.372 -9.132 550 1HG2 VAL 70 1HG2 VAL 70 -2.840 -5.390 -8.614 551 2HG2 VAL 70 2HG2 VAL 70 -1.597 -6.418 -7.861 552 3HG2 VAL 70 3HG2 VAL 70 -1.477 -4.646 -7.745 553 H LYS 71 HN LYS 71 -1.060 -4.993 -13.035 554 HA LYS 71 HA LYS 71 1.608 -4.061 -13.292 555 1HB LYS 71 2HB LYS 71 0.201 -5.969 -14.530 556 2HB LYS 71 3HB LYS 71 -0.075 -4.677 -15.681 557 1HG LYS 71 2HG LYS 71 2.745 -5.044 -14.702 558 2HG LYS 71 3HG LYS 71 2.114 -6.276 -15.776 559 1HD LYS 71 2HD LYS 71 1.311 -3.830 -16.957 560 2HD LYS 71 3HD LYS 71 2.942 -3.528 -16.391 561 1HE LYS 71 2HE LYS 71 3.889 -5.033 -17.870 562 2HE LYS 71 3HE LYS 71 2.551 -6.159 -17.754 563 1HZ LYS 71 1HZ LYS 71 1.905 -5.340 -19.680 564 2HZ LYS 71 2HZ LYS 71 1.505 -3.944 -18.933 565 3HZ LYS 71 3HZ LYS 71 2.972 -4.104 -19.633 566 H LYS 72 HN LYS 72 -1.630 -2.899 -14.407 567 HA LYS 72 HA LYS 72 -0.481 -0.598 -15.650 568 1HB LYS 72 2HB LYS 72 -3.376 -1.199 -14.977 569 2HB LYS 72 3HB LYS 72 -2.795 0.030 -16.082 570 1HG LYS 72 2HG LYS 72 -3.021 -1.567 -17.696 571 2HG LYS 72 3HG LYS 72 -1.517 -2.214 -17.073 572 1HD LYS 72 2HD LYS 72 -2.595 -3.907 -15.827 573 2HD LYS 72 3HD LYS 72 -4.109 -3.028 -15.743 574 1HE LYS 72 2HE LYS 72 -4.646 -4.634 -17.354 575 2HE LYS 72 3HE LYS 72 -4.112 -3.322 -18.386 576 1HZ LYS 72 1HZ LYS 72 -3.093 -5.465 -18.907 577 2HZ LYS 72 2HZ LYS 72 -1.979 -4.328 -18.543 578 3HZ LYS 72 3HZ LYS 72 -2.354 -5.483 -17.451 579 H ILE 73 HN ILE 73 -1.017 -1.537 -12.427 580 HA ILE 73 HA ILE 73 -1.833 1.004 -11.421 581 HB ILE 73 HB ILE 73 -0.981 -1.619 -10.276 582 1HG1 ILE 73 2HG1 ILE 73 -3.408 0.110 -9.728 583 2HG1 ILE 73 3HG1 ILE 73 -3.342 -1.090 -11.003 584 1HG2 ILE 73 1HG2 ILE 73 -1.016 -0.745 -8.017 585 2HG2 ILE 73 2HG2 ILE 73 0.246 0.076 -8.967 586 3HG2 ILE 73 3HG2 ILE 73 -1.293 0.905 -8.627 587 1HD1 ILE 73 1HD1 ILE 73 -4.097 -1.582 -8.375 588 2HD1 ILE 73 2HD1 ILE 73 -3.586 -2.824 -9.544 589 3HD1 ILE 73 3HD1 ILE 73 -2.406 -2.138 -8.401 590 H SER 74 HN SER 74 1.279 -0.856 -11.524 591 HA SER 74 HA SER 74 2.714 1.254 -10.356 592 1HB SER 74 2HB SER 74 3.195 -1.449 -11.159 593 2HB SER 74 3HB SER 74 4.399 -0.469 -11.973 594 HG SER 74 HG SER 74 4.449 -1.280 -9.437 595 H GLN 75 HN GLN 75 2.040 0.171 -13.720 596 HA GLN 75 HA GLN 75 3.851 1.966 -14.893 597 1HB GLN 75 2HB GLN 75 2.458 -0.207 -15.777 598 2HB GLN 75 3HB GLN 75 1.463 1.066 -16.453 599 1HG GLN 75 2HG GLN 75 3.265 0.356 -18.029 600 2HG GLN 75 3HG GLN 75 3.398 2.051 -17.605 601 1HE2 GLN 75 1HE2 GLN 75 4.333 -1.042 -16.095 602 2HE2 GLN 75 2HE2 GLN 75 5.992 -0.645 -15.791 Start of MODEL 8 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.899 -0.960 -1.731 3 1HB LYS 1 2HB LYS 1 1.282 1.973 -1.613 4 2HB LYS 1 3HB LYS 1 2.331 1.379 -2.884 5 1HG LYS 1 2HG LYS 1 0.452 -0.462 -3.217 6 2HG LYS 1 3HG LYS 1 -0.563 0.663 -2.337 7 1HD LYS 1 2HD LYS 1 -0.632 2.175 -4.072 8 2HD LYS 1 3HD LYS 1 1.047 1.920 -4.502 9 1HE LYS 1 2HE LYS 1 0.537 -0.081 -5.751 10 2HE LYS 1 3HE LYS 1 -1.071 -0.196 -5.062 11 1HZ LYS 1 1HZ LYS 1 -0.150 1.971 -6.821 12 2HZ LYS 1 2HZ LYS 1 -1.099 0.723 -7.277 13 3HZ LYS 1 3HZ LYS 1 -1.655 1.823 -6.205 14 H SER 2 HN SER 2 3.187 1.438 0.601 15 HA SER 2 HA SER 2 5.814 1.193 -0.459 16 1HB SER 2 2HB SER 2 4.425 2.951 1.318 17 2HB SER 2 3HB SER 2 5.755 2.272 2.236 18 HG SER 2 HG SER 2 5.925 4.282 0.555 19 HA PRO 3 HA PRO 3 7.234 -2.006 2.132 20 1HB PRO 3 2HB PRO 3 9.764 -1.259 2.848 21 2HB PRO 3 3HB PRO 3 9.371 -1.932 1.278 22 1HG PRO 3 2HG PRO 3 9.968 0.873 1.996 23 2HG PRO 3 3HG PRO 3 9.994 0.115 0.416 24 1HD PRO 3 2HD PRO 3 7.956 1.846 1.455 25 2HD PRO 3 3HD PRO 3 7.928 0.996 -0.077 26 H GLU 4 HN GLU 4 7.897 1.111 3.625 27 HA GLU 4 HA GLU 4 8.152 0.162 6.182 28 1HB GLU 4 2HB GLU 4 7.992 2.688 4.880 29 2HB GLU 4 3HB GLU 4 6.792 2.736 6.156 30 1HG GLU 4 2HG GLU 4 9.377 1.522 6.985 31 2HG GLU 4 3HG GLU 4 9.508 3.201 6.501 32 H GLU 5 HN GLU 5 5.249 0.801 4.209 33 HA GLU 5 HA GLU 5 3.441 0.762 6.336 34 1HB GLU 5 2HB GLU 5 3.368 0.887 3.421 35 2HB GLU 5 3HB GLU 5 2.105 -0.175 4.013 36 1HG GLU 5 2HG GLU 5 1.966 1.975 5.793 37 2HG GLU 5 3HG GLU 5 2.373 2.763 4.281 38 H LEU 6 HN LEU 6 4.888 -1.770 4.251 39 HA LEU 6 HA LEU 6 3.184 -3.855 4.900 40 1HB LEU 6 2HB LEU 6 5.992 -3.604 3.929 41 2HB LEU 6 3HB LEU 6 5.446 -5.173 4.487 42 HG LEU 6 HG LEU 6 4.205 -3.532 2.262 43 1HD1 LEU 6 1HD1 LEU 6 6.360 -5.458 2.324 44 2HD1 LEU 6 2HD1 LEU 6 5.014 -6.045 1.318 45 3HD1 LEU 6 3HD1 LEU 6 5.756 -4.464 0.976 46 1HD2 LEU 6 1HD2 LEU 6 3.235 -5.910 3.751 47 2HD2 LEU 6 2HD2 LEU 6 2.334 -4.621 2.916 48 3HD2 LEU 6 3HD2 LEU 6 3.064 -5.947 1.979 49 H LYS 7 HN LYS 7 6.011 -2.471 6.629 50 HA LYS 7 HA LYS 7 6.124 -4.511 8.572 51 1HB LYS 7 2HB LYS 7 7.859 -2.678 7.842 52 2HB LYS 7 3HB LYS 7 7.070 -1.701 9.064 53 1HG LYS 7 2HG LYS 7 8.700 -2.744 10.365 54 2HG LYS 7 3HG LYS 7 7.369 -3.862 10.586 55 1HD LYS 7 2HD LYS 7 8.259 -5.288 8.729 56 2HD LYS 7 3HD LYS 7 9.592 -4.171 8.511 57 1HE LYS 7 2HE LYS 7 9.604 -4.767 11.284 58 2HE LYS 7 3HE LYS 7 9.268 -6.300 10.503 59 1HZ LYS 7 1HZ LYS 7 11.594 -5.994 10.630 60 2HZ LYS 7 2HZ LYS 7 11.186 -5.847 9.056 61 3HZ LYS 7 3HZ LYS 7 11.531 -4.516 9.938 62 H GLY 8 HN GLY 8 4.850 -1.107 8.745 63 1HA GLY 8 1HA GLY 8 3.730 -1.217 11.245 64 2HA GLY 8 2HA GLY 8 3.129 -0.249 9.914 65 H ILE 9 HN ILE 9 2.030 -1.893 8.093 66 HA ILE 9 HA ILE 9 -0.371 -2.650 9.211 67 HB ILE 9 HB ILE 9 1.027 -3.124 6.625 68 1HG1 ILE 9 2HG1 ILE 9 -1.573 -1.811 7.460 69 2HG1 ILE 9 3HG1 ILE 9 -0.095 -1.011 6.962 70 1HG2 ILE 9 1HG2 ILE 9 0.073 -5.274 6.862 71 2HG2 ILE 9 2HG2 ILE 9 -1.436 -4.617 7.541 72 3HG2 ILE 9 3HG2 ILE 9 -1.041 -4.349 5.826 73 1HD1 ILE 9 1HD1 ILE 9 -2.198 -2.289 5.309 74 2HD1 ILE 9 2HD1 ILE 9 -1.049 -0.997 4.887 75 3HD1 ILE 9 3HD1 ILE 9 -0.538 -2.701 4.816 76 H PHE 10 HN PHE 10 2.476 -4.704 8.299 77 HA PHE 10 HA PHE 10 1.437 -7.135 8.973 78 1HB PHE 10 2HB PHE 10 3.614 -6.994 7.949 79 2HB PHE 10 3HB PHE 10 4.166 -5.780 9.085 80 HD1 PHE 10 HD1 PHE 10 4.889 -6.438 11.350 81 HD2 PHE 10 HD2 PHE 10 3.802 -9.336 8.448 82 HE1 PHE 10 HE1 PHE 10 6.020 -8.221 12.707 83 HE2 PHE 10 HE2 PHE 10 4.934 -11.119 9.804 84 HZ PHE 10 HZ PHE 10 6.029 -10.541 11.918 85 H GLU 11 HN GLU 11 3.347 -4.913 11.133 86 HA GLU 11 HA GLU 11 3.067 -6.528 13.366 87 1HB GLU 11 2HB GLU 11 4.349 -4.105 12.703 88 2HB GLU 11 3HB GLU 11 3.263 -3.673 14.009 89 1HG GLU 11 2HG GLU 11 4.336 -6.091 14.902 90 2HG GLU 11 3HG GLU 11 5.694 -5.367 14.064 91 H LYS 12 HN LYS 12 1.095 -3.797 12.085 92 HA LYS 12 HA LYS 12 -0.586 -3.539 14.294 93 1HB LYS 12 2HB LYS 12 -0.283 -1.939 12.360 94 2HB LYS 12 3HB LYS 12 -1.287 -3.003 11.396 95 1HG LYS 12 2HG LYS 12 -2.875 -2.768 13.613 96 2HG LYS 12 3HG LYS 12 -2.050 -1.223 13.681 97 1HD LYS 12 2HD LYS 12 -2.653 -1.076 11.106 98 2HD LYS 12 3HD LYS 12 -3.833 -2.315 11.484 99 1HE LYS 12 2HE LYS 12 -3.707 0.129 13.258 100 2HE LYS 12 3HE LYS 12 -4.445 0.288 11.677 101 1HZ LYS 12 1HZ LYS 12 -6.160 -0.983 12.287 102 2HZ LYS 12 2HZ LYS 12 -5.268 -2.011 13.190 103 3HZ LYS 12 3HZ LYS 12 -5.731 -0.573 13.809 104 H TYR 13 HN TYR 13 -0.249 -6.064 11.928 105 HA TYR 13 HA TYR 13 -2.952 -7.038 12.428 106 1HB TYR 13 2HB TYR 13 -0.691 -7.334 10.472 107 2HB TYR 13 3HB TYR 13 -1.501 -8.848 10.826 108 HD1 TYR 13 HD1 TYR 13 -2.319 -5.307 9.886 109 HD2 TYR 13 HD2 TYR 13 -3.357 -9.444 9.555 110 HE1 TYR 13 HE1 TYR 13 -4.152 -4.721 8.224 111 HE2 TYR 13 HE2 TYR 13 -5.186 -8.844 7.894 112 HH TYR 13 HH TYR 13 -5.574 -5.518 6.763 113 H ALA 14 HN ALA 14 0.517 -7.980 12.837 114 HA ALA 14 HA ALA 14 -0.049 -10.476 14.001 115 1HB ALA 14 1HB ALA 14 2.122 -9.627 12.942 116 2HB ALA 14 2HB ALA 14 2.411 -8.757 14.468 117 3HB ALA 14 3HB ALA 14 2.292 -10.533 14.465 118 H ALA 15 HN ALA 15 -0.499 -7.249 15.112 119 HA ALA 15 HA ALA 15 -0.104 -7.904 17.899 120 1HB ALA 15 1HB ALA 15 -1.347 -5.446 17.797 121 2HB ALA 15 2HB ALA 15 0.413 -5.702 17.734 122 3HB ALA 15 3HB ALA 15 -0.511 -5.502 16.226 123 H LYS 16 HN LYS 16 -2.649 -7.869 15.458 124 HA LYS 16 HA LYS 16 -4.876 -7.538 17.049 125 1HB LYS 16 2HB LYS 16 -4.252 -8.449 14.377 126 2HB LYS 16 3HB LYS 16 -5.511 -9.453 15.068 127 1HG LYS 16 2HG LYS 16 -6.722 -7.655 14.118 128 2HG LYS 16 3HG LYS 16 -6.639 -7.223 15.814 129 1HD LYS 16 2HD LYS 16 -4.492 -5.892 15.213 130 2HD LYS 16 3HD LYS 16 -4.942 -6.123 13.536 131 1HE LYS 16 2HE LYS 16 -6.109 -4.168 13.837 132 2HE LYS 16 3HE LYS 16 -7.331 -5.223 14.518 133 1HZ LYS 16 1HZ LYS 16 -5.521 -3.434 15.864 134 2HZ LYS 16 2HZ LYS 16 -7.056 -3.844 16.243 135 3HZ LYS 16 3HZ LYS 16 -5.824 -4.844 16.630 136 H GLU 17 HN GLU 17 -3.517 -10.728 15.944 137 HA GLU 17 HA GLU 17 -4.496 -11.778 18.485 138 1HB GLU 17 2HB GLU 17 -4.477 -13.005 15.709 139 2HB GLU 17 3HB GLU 17 -4.576 -14.015 17.138 140 1HG GLU 17 2HG GLU 17 -6.477 -11.981 17.608 141 2HG GLU 17 3HG GLU 17 -6.648 -12.335 15.900 142 H GLY 18 HN GLY 18 -3.007 -12.797 19.796 143 1HA GLY 18 1HA GLY 18 -1.070 -13.718 20.480 144 2HA GLY 18 2HA GLY 18 -0.721 -14.148 18.818 145 H ASP 19 HN ASP 19 1.483 -13.471 20.122 146 HA ASP 19 HA ASP 19 2.045 -10.825 20.494 147 1HB ASP 19 2HB ASP 19 3.419 -13.098 20.871 148 2HB ASP 19 3HB ASP 19 4.135 -12.672 19.330 149 HA PRO 20 HA PRO 20 2.343 -9.393 16.351 150 1HB PRO 20 2HB PRO 20 3.661 -7.032 16.746 151 2HB PRO 20 3HB PRO 20 1.936 -7.219 16.992 152 1HG PRO 20 2HG PRO 20 4.084 -7.013 19.012 153 2HG PRO 20 3HG PRO 20 2.360 -6.774 19.215 154 1HD PRO 20 2HD PRO 20 3.879 -9.075 20.006 155 2HD PRO 20 3HD PRO 20 2.140 -8.884 20.102 156 H ASN 21 HN ASN 21 4.860 -10.581 18.074 157 HA ASN 21 HA ASN 21 6.787 -9.931 16.032 158 1HB ASN 21 2HB ASN 21 6.912 -11.340 18.732 159 2HB ASN 21 3HB ASN 21 8.260 -11.448 17.617 160 1HD2 ASN 21 1HD2 ASN 21 7.078 -9.825 20.181 161 2HD2 ASN 21 2HD2 ASN 21 7.869 -8.292 20.024 162 H GLN 22 HN GLN 22 4.271 -12.045 16.307 163 HA GLN 22 HA GLN 22 5.566 -13.953 14.600 164 1HB GLN 22 2HB GLN 22 4.257 -15.765 16.143 165 2HB GLN 22 3HB GLN 22 5.948 -15.364 16.361 166 1HG GLN 22 2HG GLN 22 5.338 -13.656 18.072 167 2HG GLN 22 3HG GLN 22 3.639 -14.012 17.836 168 1HE2 GLN 22 1HE2 GLN 22 3.151 -14.777 19.802 169 2HE2 GLN 22 2HE2 GLN 22 3.799 -16.219 20.509 170 H LEU 23 HN LEU 23 4.194 -14.460 12.932 171 HA LEU 23 HA LEU 23 1.471 -13.496 13.152 172 1HB LEU 23 2HB LEU 23 3.235 -14.405 10.895 173 2HB LEU 23 3HB LEU 23 1.505 -14.229 10.677 174 HG LEU 23 HG LEU 23 3.067 -12.279 10.019 175 1HD1 LEU 23 1HD1 LEU 23 0.933 -11.185 11.755 176 2HD1 LEU 23 2HD1 LEU 23 1.258 -10.934 10.023 177 3HD1 LEU 23 3HD1 LEU 23 0.427 -12.411 10.568 178 1HD2 LEU 23 1HD2 LEU 23 3.002 -11.930 13.026 179 2HD2 LEU 23 2HD2 LEU 23 4.429 -12.121 11.979 180 3HD2 LEU 23 3HD2 LEU 23 3.440 -10.644 11.876 181 H SER 24 HN SER 24 -0.347 -14.896 12.333 182 HA SER 24 HA SER 24 0.208 -17.697 12.898 183 1HB SER 24 2HB SER 24 -2.198 -16.107 13.896 184 2HB SER 24 3HB SER 24 -1.989 -17.836 14.090 185 HG SER 24 HG SER 24 -1.030 -17.284 15.928 186 H LYS 25 HN LYS 25 -1.575 -19.168 11.993 187 HA LYS 25 HA LYS 25 -1.973 -18.649 9.315 188 1HB LYS 25 2HB LYS 25 -2.002 -20.878 10.422 189 2HB LYS 25 3HB LYS 25 -3.571 -20.504 11.105 190 1HG LYS 25 2HG LYS 25 -4.116 -19.927 8.508 191 2HG LYS 25 3HG LYS 25 -2.829 -21.088 8.251 192 1HD LYS 25 2HD LYS 25 -4.528 -22.624 8.409 193 2HD LYS 25 3HD LYS 25 -4.270 -22.443 10.133 194 1HE LYS 25 2HE LYS 25 -6.014 -20.585 10.133 195 2HE LYS 25 3HE LYS 25 -6.336 -20.949 8.449 196 1HZ LYS 25 1HZ LYS 25 -6.464 -23.031 10.502 197 2HZ LYS 25 2HZ LYS 25 -7.750 -22.081 10.168 198 3HZ LYS 25 3HZ LYS 25 -7.122 -23.043 9.007 199 H GLU 26 HN GLU 26 -4.430 -18.497 11.995 200 HA GLU 26 HA GLU 26 -6.445 -17.500 10.434 201 1HB GLU 26 2HB GLU 26 -5.949 -17.978 13.222 202 2HB GLU 26 3HB GLU 26 -6.629 -16.369 13.087 203 1HG GLU 26 2HG GLU 26 -8.220 -17.815 11.317 204 2HG GLU 26 3HG GLU 26 -7.897 -19.002 12.566 205 H GLU 27 HN GLU 27 -3.744 -15.831 12.107 206 HA GLU 27 HA GLU 27 -4.742 -13.259 11.775 207 1HB GLU 27 2HB GLU 27 -2.229 -14.535 12.611 208 2HB GLU 27 3HB GLU 27 -1.941 -13.037 11.748 209 1HG GLU 27 2HG GLU 27 -4.123 -12.478 13.479 210 2HG GLU 27 3HG GLU 27 -3.018 -13.439 14.441 211 H LEU 28 HN LEU 28 -2.156 -15.016 9.903 212 HA LEU 28 HA LEU 28 -1.797 -13.123 7.955 213 1HB LEU 28 2HB LEU 28 -0.555 -15.318 8.489 214 2HB LEU 28 3HB LEU 28 -1.704 -16.076 7.404 215 HG LEU 28 HG LEU 28 -0.744 -15.220 5.542 216 1HD1 LEU 28 1HD1 LEU 28 0.058 -12.748 7.101 217 2HD1 LEU 28 2HD1 LEU 28 0.322 -13.009 5.360 218 3HD1 LEU 28 3HD1 LEU 28 -1.334 -12.910 6.004 219 1HD2 LEU 28 1HD2 LEU 28 1.054 -16.407 6.643 220 2HD2 LEU 28 2HD2 LEU 28 1.708 -15.010 5.755 221 3HD2 LEU 28 3HD2 LEU 28 1.530 -14.935 7.525 222 H LYS 29 HN LYS 29 -4.243 -15.770 8.143 223 HA LYS 29 HA LYS 29 -5.337 -15.656 5.686 224 1HB LYS 29 2HB LYS 29 -6.028 -17.174 7.499 225 2HB LYS 29 3HB LYS 29 -6.825 -15.848 8.322 226 1HG LYS 29 2HG LYS 29 -8.506 -15.646 6.659 227 2HG LYS 29 3HG LYS 29 -7.538 -16.447 5.438 228 1HD LYS 29 2HD LYS 29 -7.857 -18.615 6.457 229 2HD LYS 29 3HD LYS 29 -8.488 -17.913 7.933 230 1HE LYS 29 2HE LYS 29 -10.600 -17.876 7.095 231 2HE LYS 29 3HE LYS 29 -10.080 -16.992 5.675 232 1HZ LYS 29 1HZ LYS 29 -9.687 -19.884 5.967 233 2HZ LYS 29 2HZ LYS 29 -11.006 -19.234 5.258 234 3HZ LYS 29 3HZ LYS 29 -9.528 -18.993 4.607 235 H LEU 30 HN LEU 30 -6.199 -13.468 8.455 236 HA LEU 30 HA LEU 30 -8.014 -11.918 7.078 237 1HB LEU 30 2HB LEU 30 -6.123 -11.098 9.288 238 2HB LEU 30 3HB LEU 30 -7.557 -10.222 8.791 239 HG LEU 30 HG LEU 30 -7.367 -12.868 10.218 240 1HD1 LEU 30 1HD1 LEU 30 -7.596 -10.353 11.188 241 2HD1 LEU 30 2HD1 LEU 30 -9.313 -10.788 11.014 242 3HD1 LEU 30 3HD1 LEU 30 -8.233 -11.801 12.002 243 1HD2 LEU 30 1HD2 LEU 30 -9.820 -13.110 9.954 244 2HD2 LEU 30 2HD2 LEU 30 -9.796 -11.778 8.773 245 3HD2 LEU 30 3HD2 LEU 30 -8.925 -13.291 8.426 246 H LEU 31 HN LEU 31 -4.469 -11.289 7.586 247 HA LEU 31 HA LEU 31 -4.296 -9.014 6.079 248 1HB LEU 31 2HB LEU 31 -2.584 -10.334 7.544 249 2HB LEU 31 3HB LEU 31 -2.129 -11.083 6.026 250 HG LEU 31 HG LEU 31 -2.149 -8.354 5.439 251 1HD1 LEU 31 1HD1 LEU 31 -1.427 -8.812 8.291 252 2HD1 LEU 31 2HD1 LEU 31 -0.398 -7.709 7.346 253 3HD1 LEU 31 3HD1 LEU 31 -2.143 -7.390 7.496 254 1HD2 LEU 31 1HD2 LEU 31 -0.500 -10.455 5.052 255 2HD2 LEU 31 2HD2 LEU 31 -0.046 -8.764 4.732 256 3HD2 LEU 31 3HD2 LEU 31 0.438 -9.542 6.258 257 H LEU 32 HN LEU 32 -3.514 -12.365 4.894 258 HA LEU 32 HA LEU 32 -3.256 -11.708 2.250 259 1HB LEU 32 2HB LEU 32 -4.361 -14.264 3.424 260 2HB LEU 32 3HB LEU 32 -3.723 -14.069 1.804 261 HG LEU 32 HG LEU 32 -2.121 -13.696 4.350 262 1HD1 LEU 32 1HD1 LEU 32 -1.020 -15.837 3.662 263 2HD1 LEU 32 2HD1 LEU 32 -2.713 -16.005 4.185 264 3HD1 LEU 32 3HD1 LEU 32 -2.309 -16.047 2.452 265 1HD2 LEU 32 1HD2 LEU 32 -0.173 -13.576 2.949 266 2HD2 LEU 32 2HD2 LEU 32 -1.146 -13.873 1.488 267 3HD2 LEU 32 3HD2 LEU 32 -1.349 -12.358 2.399 268 H GLN 33 HN GLN 33 -6.115 -11.704 4.248 269 HA GLN 33 HA GLN 33 -7.958 -12.140 2.175 270 1HB GLN 33 2HB GLN 33 -8.083 -12.000 4.928 271 2HB GLN 33 3HB GLN 33 -8.835 -10.481 4.483 272 1HG GLN 33 2HG GLN 33 -10.257 -11.879 2.802 273 2HG GLN 33 3HG GLN 33 -9.683 -13.289 3.670 274 1HE2 GLN 33 1HE2 GLN 33 -10.472 -13.799 5.631 275 2HE2 GLN 33 2HE2 GLN 33 -11.735 -12.945 6.452 276 H THR 34 HN THR 34 -6.844 -9.136 3.900 277 HA THR 34 HA THR 34 -8.084 -7.529 1.805 278 HB THR 34 HB THR 34 -7.247 -7.220 4.647 279 HG1 THR 34 HG1 THR 34 -9.060 -5.971 2.704 280 1HG2 THR 34 1HG2 THR 34 -5.716 -5.525 3.878 281 2HG2 THR 34 2HG2 THR 34 -6.805 -5.040 2.556 282 3HG2 THR 34 3HG2 THR 34 -7.221 -4.648 4.242 283 H GLU 35 HN GLU 35 -4.834 -8.033 3.323 284 HA GLU 35 HA GLU 35 -3.425 -6.308 1.821 285 1HB GLU 35 2HB GLU 35 -2.386 -7.552 3.617 286 2HB GLU 35 3HB GLU 35 -2.677 -9.084 2.819 287 1HG GLU 35 2HG GLU 35 -0.631 -8.907 1.860 288 2HG GLU 35 3HG GLU 35 -1.240 -7.565 0.913 289 H PHE 36 HN PHE 36 -3.975 -9.813 0.993 290 HA PHE 36 HA PHE 36 -4.137 -9.072 -1.794 291 1HB PHE 36 2HB PHE 36 -2.012 -10.882 -0.509 292 2HB PHE 36 3HB PHE 36 -2.373 -10.964 -2.222 293 HD1 PHE 36 HD1 PHE 36 -2.406 -8.471 -3.345 294 HD2 PHE 36 HD2 PHE 36 -0.152 -9.657 0.049 295 HE1 PHE 36 HE1 PHE 36 -0.776 -6.613 -3.779 296 HE2 PHE 36 HE2 PHE 36 1.478 -7.798 -0.385 297 HZ PHE 36 HZ PHE 36 1.147 -6.299 -2.294 298 HA PRO 37 HA PRO 37 -6.925 -12.413 -0.758 299 1HB PRO 37 2HB PRO 37 -9.050 -11.517 -2.225 300 2HB PRO 37 3HB PRO 37 -8.809 -11.107 -0.538 301 1HG PRO 37 2HG PRO 37 -8.384 -9.426 -2.932 302 2HG PRO 37 3HG PRO 37 -8.563 -8.931 -1.260 303 1HD PRO 37 2HD PRO 37 -6.120 -9.071 -2.757 304 2HD PRO 37 3HD PRO 37 -6.286 -8.688 -1.055 305 H SER 38 HN SER 38 -5.627 -11.221 -3.649 306 HA SER 38 HA SER 38 -6.757 -13.154 -5.330 307 1HB SER 38 2HB SER 38 -5.042 -10.905 -5.577 308 2HB SER 38 3HB SER 38 -4.119 -12.256 -6.202 309 HG SER 38 HG SER 38 -5.477 -12.481 -7.879 310 H LEU 39 HN LEU 39 -3.923 -13.035 -3.170 311 HA LEU 39 HA LEU 39 -2.636 -15.310 -4.251 312 1HB LEU 39 2HB LEU 39 -2.152 -13.333 -2.279 313 2HB LEU 39 3HB LEU 39 -2.016 -14.890 -1.486 314 HG LEU 39 HG LEU 39 -0.471 -13.962 -3.922 315 1HD1 LEU 39 1HD1 LEU 39 1.486 -14.280 -2.354 316 2HD1 LEU 39 2HD1 LEU 39 0.410 -12.910 -1.992 317 3HD1 LEU 39 3HD1 LEU 39 0.300 -14.405 -1.033 318 1HD2 LEU 39 1HD2 LEU 39 -1.204 -16.552 -3.457 319 2HD2 LEU 39 2HD2 LEU 39 0.256 -16.041 -4.337 320 3HD2 LEU 39 3HD2 LEU 39 0.359 -16.463 -2.611 321 H LEU 40 HN LEU 40 -5.451 -14.820 -2.265 322 HA LEU 40 HA LEU 40 -5.300 -17.329 -0.918 323 1HB LEU 40 2HB LEU 40 -7.525 -15.327 -1.311 324 2HB LEU 40 3HB LEU 40 -7.684 -16.787 -0.354 325 HG LEU 40 HG LEU 40 -5.686 -14.573 0.189 326 1HD1 LEU 40 1HD1 LEU 40 -7.664 -13.537 0.730 327 2HD1 LEU 40 2HD1 LEU 40 -8.475 -15.060 1.167 328 3HD1 LEU 40 3HD1 LEU 40 -7.275 -14.343 2.268 329 1HD2 LEU 40 1HD2 LEU 40 -6.443 -16.989 1.857 330 2HD2 LEU 40 2HD2 LEU 40 -4.920 -16.766 0.961 331 3HD2 LEU 40 3HD2 LEU 40 -5.315 -15.694 2.327 332 H LYS 41 HN LYS 41 -6.442 -16.141 -4.047 333 HA LYS 41 HA LYS 41 -8.148 -18.340 -4.575 334 1HB LYS 41 2HB LYS 41 -8.582 -17.289 -6.550 335 2HB LYS 41 3HB LYS 41 -7.963 -15.925 -5.642 336 1HG LYS 41 2HG LYS 41 -6.646 -15.720 -7.540 337 2HG LYS 41 3HG LYS 41 -5.606 -16.772 -6.602 338 1HD LYS 41 2HD LYS 41 -7.178 -18.658 -7.805 339 2HD LYS 41 3HD LYS 41 -7.259 -17.399 -9.022 340 1HE LYS 41 2HE LYS 41 -4.524 -17.901 -7.942 341 2HE LYS 41 3HE LYS 41 -5.217 -19.248 -8.822 342 1HZ LYS 41 1HZ LYS 41 -5.544 -16.674 -10.057 343 2HZ LYS 41 2HZ LYS 41 -4.006 -17.217 -9.982 344 3HZ LYS 41 3HZ LYS 41 -5.152 -18.111 -10.728 345 H GLY 42 HN GLY 42 -4.667 -17.664 -4.945 346 1HA GLY 42 1HA GLY 42 -3.794 -19.443 -6.762 347 2HA GLY 42 2HA GLY 42 -2.969 -19.131 -5.248 348 H MET 43 HN MET 43 -2.765 -21.648 -6.463 349 HA MET 43 HA MET 43 -4.733 -23.400 -5.459 350 1HB MET 43 2HB MET 43 -1.872 -23.881 -6.466 351 2HB MET 43 3HB MET 43 -3.047 -25.155 -6.204 352 1HG MET 43 2HG MET 43 -4.442 -24.414 -7.995 353 2HG MET 43 3HG MET 43 -3.728 -22.814 -8.017 354 1HE MET 43 1HE MET 43 -4.231 -25.738 -9.650 355 2HE MET 43 2HE MET 43 -2.855 -26.077 -10.726 356 3HE MET 43 3HE MET 43 -2.873 -26.732 -9.071 357 H SER 44 HN SER 44 -2.424 -21.597 -3.853 358 HA SER 44 HA SER 44 -1.692 -23.701 -2.022 359 1HB SER 44 2HB SER 44 -0.856 -20.803 -2.367 360 2HB SER 44 3HB SER 44 -0.434 -21.690 -0.916 361 HG SER 44 HG SER 44 1.084 -22.758 -1.990 362 H THR 45 HN THR 45 -3.475 -24.209 -0.731 363 HA THR 45 HA THR 45 -5.362 -22.303 0.126 364 HB THR 45 HB THR 45 -6.142 -24.207 1.527 365 HG1 THR 45 HG1 THR 45 -3.790 -25.596 0.532 366 1HG2 THR 45 1HG2 THR 45 -6.396 -24.352 -1.049 367 2HG2 THR 45 2HG2 THR 45 -4.952 -25.392 -1.025 368 3HG2 THR 45 3HG2 THR 45 -6.430 -25.902 -0.175 369 H LEU 46 HN LEU 46 -5.855 -22.015 2.577 370 HA LEU 46 HA LEU 46 -3.949 -20.348 3.612 371 1HB LEU 46 2HB LEU 46 -6.486 -20.913 4.193 372 2HB LEU 46 3HB LEU 46 -5.730 -21.828 5.483 373 HG LEU 46 HG LEU 46 -6.085 -19.825 6.532 374 1HD1 LEU 46 1HD1 LEU 46 -3.405 -19.217 5.263 375 2HD1 LEU 46 2HD1 LEU 46 -4.005 -18.699 6.857 376 3HD1 LEU 46 3HD1 LEU 46 -3.651 -20.417 6.555 377 1HD2 LEU 46 1HD2 LEU 46 -7.055 -18.663 4.627 378 2HD2 LEU 46 2HD2 LEU 46 -5.912 -17.607 5.491 379 3HD2 LEU 46 3HD2 LEU 46 -5.433 -18.368 3.955 380 H ASP 47 HN ASP 47 -4.697 -23.688 4.851 381 HA ASP 47 HA ASP 47 -2.678 -23.899 6.589 382 1HB ASP 47 2HB ASP 47 -4.107 -25.846 4.800 383 2HB ASP 47 3HB ASP 47 -2.666 -26.437 5.603 384 H GLU 48 HN GLU 48 -2.634 -24.633 3.029 385 HA GLU 48 HA GLU 48 -0.079 -25.584 2.870 386 1HB GLU 48 2HB GLU 48 -2.138 -24.630 1.051 387 2HB GLU 48 3HB GLU 48 -0.567 -24.091 0.491 388 1HG GLU 48 2HG GLU 48 0.107 -26.638 1.090 389 2HG GLU 48 3HG GLU 48 -1.606 -26.899 0.828 390 H LEU 49 HN LEU 49 -1.288 -22.181 2.661 391 HA LEU 49 HA LEU 49 1.233 -21.059 2.125 392 1HB LEU 49 2HB LEU 49 -1.368 -20.207 2.145 393 2HB LEU 49 3HB LEU 49 -0.722 -19.400 3.560 394 HG LEU 49 HG LEU 49 1.148 -19.078 1.410 395 1HD1 LEU 49 1HD1 LEU 49 -0.837 -19.559 -0.028 396 2HD1 LEU 49 2HD1 LEU 49 -1.638 -18.138 0.686 397 3HD1 LEU 49 3HD1 LEU 49 -0.141 -17.936 -0.255 398 1HD2 LEU 49 1HD2 LEU 49 -0.067 -17.574 3.497 399 2HD2 LEU 49 2HD2 LEU 49 1.358 -17.167 2.511 400 3HD2 LEU 49 3HD2 LEU 49 -0.264 -16.665 1.980 401 H PHE 50 HN PHE 50 -0.572 -21.810 5.144 402 HA PHE 50 HA PHE 50 1.112 -20.474 6.896 403 1HB PHE 50 2HB PHE 50 -1.185 -21.612 7.258 404 2HB PHE 50 3HB PHE 50 -0.358 -23.157 7.232 405 HD1 PHE 50 HD1 PHE 50 -0.220 -24.077 9.331 406 HD2 PHE 50 HD2 PHE 50 0.304 -19.885 8.924 407 HE1 PHE 50 HE1 PHE 50 0.207 -23.890 11.797 408 HE2 PHE 50 HE2 PHE 50 0.730 -19.699 11.391 409 HZ PHE 50 HZ PHE 50 0.676 -21.704 12.798 410 H GLU 51 HN GLU 51 1.155 -23.942 5.808 411 HA GLU 51 HA GLU 51 3.455 -24.525 7.292 412 1HB GLU 51 2HB GLU 51 1.644 -25.898 5.451 413 2HB GLU 51 3HB GLU 51 3.305 -26.367 5.149 414 1HG GLU 51 2HG GLU 51 3.381 -26.532 7.835 415 2HG GLU 51 3HG GLU 51 1.651 -26.736 7.644 416 H GLU 52 HN GLU 52 2.846 -23.369 3.958 417 HA GLU 52 HA GLU 52 5.410 -23.850 2.998 418 1HB GLU 52 2HB GLU 52 3.392 -23.367 1.592 419 2HB GLU 52 3HB GLU 52 3.417 -21.703 2.143 420 1HG GLU 52 2HG GLU 52 6.070 -22.387 1.209 421 2HG GLU 52 3HG GLU 52 4.916 -22.884 -0.012 422 H LEU 53 HN LEU 53 3.873 -20.817 4.292 423 HA LEU 53 HA LEU 53 6.158 -19.248 4.118 424 1HB LEU 53 2HB LEU 53 3.887 -19.030 6.097 425 2HB LEU 53 3HB LEU 53 5.011 -17.761 5.656 426 HG LEU 53 HG LEU 53 3.415 -19.007 3.461 427 1HD1 LEU 53 1HD1 LEU 53 1.426 -18.578 4.341 428 2HD1 LEU 53 2HD1 LEU 53 2.176 -17.913 5.812 429 3HD1 LEU 53 3HD1 LEU 53 1.860 -16.854 4.417 430 1HD2 LEU 53 1HD2 LEU 53 3.322 -16.420 2.944 431 2HD2 LEU 53 2HD2 LEU 53 4.709 -16.379 4.058 432 3HD2 LEU 53 3HD2 LEU 53 4.775 -17.386 2.592 433 H ASP 54 HN ASP 54 4.829 -21.136 6.920 434 HA ASP 54 HA ASP 54 6.959 -20.501 8.585 435 1HB ASP 54 2HB ASP 54 4.694 -21.443 9.257 436 2HB ASP 54 3HB ASP 54 5.203 -23.000 8.633 437 H LYS 55 HN LYS 55 9.077 -21.043 7.975 438 HA LYS 55 HA LYS 55 9.486 -23.791 7.016 439 1HB LYS 55 2HB LYS 55 9.856 -21.770 5.402 440 2HB LYS 55 3HB LYS 55 11.325 -21.511 6.320 441 1HG LYS 55 2HG LYS 55 12.282 -23.058 4.950 442 2HG LYS 55 3HG LYS 55 11.403 -24.259 5.876 443 1HD LYS 55 2HD LYS 55 9.624 -23.075 3.898 444 2HD LYS 55 3HD LYS 55 11.091 -23.619 3.108 445 1HE LYS 55 2HE LYS 55 10.607 -25.765 4.759 446 2HE LYS 55 3HE LYS 55 8.967 -25.218 4.477 447 1HZ LYS 55 1HZ LYS 55 9.688 -25.161 2.051 448 2HZ LYS 55 2HZ LYS 55 10.933 -26.111 2.515 449 3HZ LYS 55 3HZ LYS 55 9.395 -26.618 2.728 450 H ASN 56 HN ASN 56 9.780 -21.695 9.614 451 HA ASN 56 HA ASN 56 12.369 -22.692 10.400 452 1HB ASN 56 2HB ASN 56 10.461 -20.857 11.940 453 2HB ASN 56 3HB ASN 56 12.160 -21.110 12.285 454 1HD2 ASN 56 1HD2 ASN 56 13.746 -20.290 10.906 455 2HD2 ASN 56 2HD2 ASN 56 13.438 -19.003 9.788 456 H GLY 57 HN GLY 57 9.300 -23.898 10.331 457 1HA GLY 57 1HA GLY 57 8.007 -25.221 11.645 458 2HA GLY 57 2HA GLY 57 9.536 -26.028 11.933 459 H ASP 58 HN ASP 58 7.667 -23.120 13.063 460 HA ASP 58 HA ASP 58 8.444 -23.896 15.755 461 1HB ASP 58 2HB ASP 58 8.303 -21.229 16.091 462 2HB ASP 58 3HB ASP 58 9.799 -22.029 15.649 463 H GLY 59 HN GLY 59 6.446 -21.525 13.823 464 1HA GLY 59 1HA GLY 59 3.992 -22.100 13.919 465 2HA GLY 59 2HA GLY 59 4.189 -22.040 15.659 466 H GLU 60 HN GLU 60 5.719 -19.934 13.143 467 HA GLU 60 HA GLU 60 3.943 -17.804 13.698 468 1HB GLU 60 2HB GLU 60 5.781 -16.260 14.575 469 2HB GLU 60 3HB GLU 60 5.200 -17.467 15.705 470 1HG GLU 60 2HG GLU 60 7.404 -18.525 14.079 471 2HG GLU 60 3HG GLU 60 7.880 -17.051 14.898 472 H VAL 61 HN VAL 61 3.796 -16.630 11.827 473 HA VAL 61 HA VAL 61 5.928 -17.030 9.872 474 HB VAL 61 HB VAL 61 3.064 -16.090 9.677 475 1HG1 VAL 61 1HG1 VAL 61 3.507 -15.100 7.730 476 2HG1 VAL 61 2HG1 VAL 61 5.239 -15.448 7.943 477 3HG1 VAL 61 3HG1 VAL 61 4.193 -16.618 7.103 478 1HG2 VAL 61 1HG2 VAL 61 4.222 -18.453 8.230 479 2HG2 VAL 61 2HG2 VAL 61 3.801 -18.602 9.953 480 3HG2 VAL 61 3HG2 VAL 61 2.552 -18.152 8.767 481 H SER 62 HN SER 62 7.041 -15.506 11.686 482 HA SER 62 HA SER 62 6.417 -12.897 11.921 483 1HB SER 62 2HB SER 62 9.298 -13.179 11.583 484 2HB SER 62 3HB SER 62 8.383 -12.850 13.041 485 HG SER 62 HG SER 62 9.007 -15.426 11.890 486 H PHE 63 HN PHE 63 7.705 -10.955 10.921 487 HA PHE 63 HA PHE 63 7.033 -10.652 8.308 488 1HB PHE 63 2HB PHE 63 7.828 -8.942 10.062 489 2HB PHE 63 3HB PHE 63 9.468 -9.501 9.799 490 HD1 PHE 63 HD1 PHE 63 10.644 -8.974 7.720 491 HD2 PHE 63 HD2 PHE 63 6.711 -7.547 8.429 492 HE1 PHE 63 HE1 PHE 63 10.908 -7.319 5.852 493 HE2 PHE 63 HE2 PHE 63 6.975 -5.892 6.560 494 HZ PHE 63 HZ PHE 63 9.070 -5.797 5.294 495 H GLU 64 HN GLU 64 9.941 -12.188 9.680 496 HA GLU 64 HA GLU 64 11.592 -12.048 7.514 497 1HB GLU 64 2HB GLU 64 12.390 -14.393 8.472 498 2HB GLU 64 3HB GLU 64 12.631 -12.923 9.396 499 1HG GLU 64 2HG GLU 64 11.220 -13.610 11.046 500 2HG GLU 64 3HG GLU 64 9.968 -14.047 9.901 501 H GLU 65 HN GLU 65 9.183 -14.643 8.340 502 HA GLU 65 HA GLU 65 9.661 -16.054 5.973 503 1HB GLU 65 2HB GLU 65 7.257 -16.094 7.851 504 2HB GLU 65 3HB GLU 65 7.558 -17.280 6.597 505 1HG GLU 65 2HG GLU 65 9.247 -18.313 7.780 506 2HG GLU 65 3HG GLU 65 9.863 -16.805 8.427 507 H PHE 66 HN PHE 66 7.605 -13.305 6.840 508 HA PHE 66 HA PHE 66 5.706 -13.489 4.835 509 1HB PHE 66 2HB PHE 66 6.063 -11.887 6.916 510 2HB PHE 66 3HB PHE 66 7.066 -10.932 5.842 511 HD1 PHE 66 HD1 PHE 66 3.756 -12.629 5.445 512 HD2 PHE 66 HD2 PHE 66 5.976 -9.022 5.177 513 HE1 PHE 66 HE1 PHE 66 1.715 -11.436 4.600 514 HE2 PHE 66 HE2 PHE 66 3.935 -7.829 4.333 515 HZ PHE 66 HZ PHE 66 1.830 -9.050 4.054 516 H GLN 67 HN GLN 67 9.072 -12.248 4.800 517 HA GLN 67 HA GLN 67 8.907 -10.908 2.393 518 1HB GLN 67 2HB GLN 67 11.338 -12.362 3.523 519 2HB GLN 67 3HB GLN 67 11.362 -11.036 2.377 520 1HG GLN 67 2HG GLN 67 9.988 -9.747 4.249 521 2HG GLN 67 3HG GLN 67 10.629 -10.979 5.318 522 1HE2 GLN 67 1HE2 GLN 67 11.149 -8.010 3.925 523 2HE2 GLN 67 2HE2 GLN 67 12.850 -7.822 4.189 524 H VAL 68 HN VAL 68 8.626 -14.262 3.075 525 HA VAL 68 HA VAL 68 9.794 -15.204 0.636 526 HB VAL 68 HB VAL 68 7.941 -16.580 2.590 527 1HG1 VAL 68 1HG1 VAL 68 9.805 -17.611 0.433 528 2HG1 VAL 68 2HG1 VAL 68 9.129 -18.638 1.720 529 3HG1 VAL 68 3HG1 VAL 68 8.044 -17.833 0.561 530 1HG2 VAL 68 1HG2 VAL 68 10.370 -15.518 3.243 531 2HG2 VAL 68 2HG2 VAL 68 9.651 -16.950 4.017 532 3HG2 VAL 68 3HG2 VAL 68 10.840 -17.149 2.707 533 H LEU 69 HN LEU 69 6.558 -14.270 1.852 534 HA LEU 69 HA LEU 69 5.228 -15.253 -0.478 535 1HB LEU 69 2HB LEU 69 4.417 -14.811 2.006 536 2HB LEU 69 3HB LEU 69 4.022 -13.233 1.354 537 HG LEU 69 HG LEU 69 2.610 -14.304 -0.374 538 1HD1 LEU 69 1HD1 LEU 69 3.383 -16.418 -0.809 539 2HD1 LEU 69 2HD1 LEU 69 3.650 -16.800 0.909 540 3HD1 LEU 69 3HD1 LEU 69 1.998 -16.787 0.246 541 1HD2 LEU 69 1HD2 LEU 69 0.754 -14.773 1.039 542 2HD2 LEU 69 2HD2 LEU 69 1.814 -15.226 2.395 543 3HD2 LEU 69 3HD2 LEU 69 1.735 -13.532 1.854 544 H VAL 70 HN VAL 70 6.769 -12.231 0.581 545 HA VAL 70 HA VAL 70 5.601 -10.426 -1.107 546 HB VAL 70 HB VAL 70 8.302 -10.762 0.118 547 1HG1 VAL 70 1HG1 VAL 70 8.639 -8.298 -0.848 548 2HG1 VAL 70 2HG1 VAL 70 9.190 -9.743 -1.730 549 3HG1 VAL 70 3HG1 VAL 70 7.656 -8.959 -2.177 550 1HG2 VAL 70 1HG2 VAL 70 6.159 -9.864 1.255 551 2HG2 VAL 70 2HG2 VAL 70 7.673 -8.953 1.466 552 3HG2 VAL 70 3HG2 VAL 70 6.448 -8.387 0.305 553 H LYS 71 HN LYS 71 7.615 -13.197 -1.866 554 HA LYS 71 HA LYS 71 8.518 -12.255 -4.381 555 1HB LYS 71 2HB LYS 71 9.138 -14.355 -2.711 556 2HB LYS 71 3HB LYS 71 8.290 -15.168 -4.011 557 1HG LYS 71 2HG LYS 71 9.858 -13.499 -5.495 558 2HG LYS 71 3HG LYS 71 10.882 -13.660 -4.082 559 1HD LYS 71 2HD LYS 71 9.677 -16.170 -5.247 560 2HD LYS 71 3HD LYS 71 11.002 -15.417 -6.112 561 1HE LYS 71 2HE LYS 71 11.657 -15.490 -3.283 562 2HE LYS 71 3HE LYS 71 11.146 -17.090 -3.786 563 1HZ LYS 71 1HZ LYS 71 13.174 -17.272 -4.603 564 2HZ LYS 71 2HZ LYS 71 12.742 -16.245 -5.797 565 3HZ LYS 71 3HZ LYS 71 13.501 -15.678 -4.466 566 H LYS 72 HN LYS 72 5.702 -14.186 -3.231 567 HA LYS 72 HA LYS 72 4.749 -14.700 -5.848 568 1HB LYS 72 2HB LYS 72 3.461 -14.870 -3.112 569 2HB LYS 72 3HB LYS 72 2.654 -15.352 -4.591 570 1HG LYS 72 2HG LYS 72 5.359 -16.467 -3.716 571 2HG LYS 72 3HG LYS 72 3.832 -17.239 -3.338 572 1HD LYS 72 2HD LYS 72 3.625 -16.775 -6.093 573 2HD LYS 72 3HD LYS 72 5.320 -17.172 -5.894 574 1HE LYS 72 2HE LYS 72 4.883 -19.351 -5.218 575 2HE LYS 72 3HE LYS 72 3.386 -18.922 -4.415 576 1HZ LYS 72 1HZ LYS 72 2.383 -18.648 -6.593 577 2HZ LYS 72 2HZ LYS 72 3.775 -19.091 -7.323 578 3HZ LYS 72 3HZ LYS 72 2.961 -20.163 -6.398 579 H ILE 73 HN ILE 73 4.353 -12.080 -3.459 580 HA ILE 73 HA ILE 73 2.169 -10.889 -4.854 581 HB ILE 73 HB ILE 73 3.985 -9.986 -2.626 582 1HG1 ILE 73 2HG1 ILE 73 1.052 -10.328 -2.290 583 2HG1 ILE 73 3HG1 ILE 73 1.974 -11.795 -2.550 584 1HG2 ILE 73 1HG2 ILE 73 2.579 -8.035 -2.340 585 2HG2 ILE 73 2HG2 ILE 73 3.296 -8.034 -3.969 586 3HG2 ILE 73 3HG2 ILE 73 1.593 -8.501 -3.746 587 1HD1 ILE 73 1HD1 ILE 73 2.671 -11.742 -0.401 588 2HD1 ILE 73 2HD1 ILE 73 3.456 -10.171 -0.693 589 3HD1 ILE 73 3HD1 ILE 73 1.763 -10.232 -0.146 590 H SER 74 HN SER 74 5.544 -11.149 -5.411 591 HA SER 74 HA SER 74 5.768 -8.582 -6.648 592 1HB SER 74 2HB SER 74 7.562 -10.776 -5.864 593 2HB SER 74 3HB SER 74 7.961 -10.152 -7.452 594 HG SER 74 HG SER 74 8.713 -9.093 -5.184 595 H GLN 75 HN GLN 75 5.527 -12.057 -7.611 596 HA GLN 75 HA GLN 75 5.776 -11.514 -10.352 597 1HB GLN 75 2HB GLN 75 5.782 -13.784 -8.742 598 2HB GLN 75 3HB GLN 75 4.276 -13.958 -9.622 599 1HG GLN 75 2HG GLN 75 5.337 -14.113 -11.703 600 2HG GLN 75 3HG GLN 75 6.710 -13.148 -11.200 601 1HE2 GLN 75 1HE2 GLN 75 7.801 -14.213 -9.125 602 2HE2 GLN 75 2HE2 GLN 75 8.268 -15.868 -9.334 Start of MODEL 9 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.719 -0.878 -1.239 3 1HB LYS 1 2HB LYS 1 0.156 0.287 -2.192 4 2HB LYS 1 3HB LYS 1 1.518 0.420 -3.287 5 1HG LYS 1 2HG LYS 1 1.179 -1.739 -3.890 6 2HG LYS 1 3HG LYS 1 1.669 -2.225 -2.279 7 1HD LYS 1 2HD LYS 1 -1.006 -1.333 -1.978 8 2HD LYS 1 3HD LYS 1 -1.005 -2.233 -3.481 9 1HE LYS 1 2HE LYS 1 -1.381 -3.953 -1.935 10 2HE LYS 1 3HE LYS 1 0.361 -4.039 -2.108 11 1HZ LYS 1 1HZ LYS 1 0.359 -2.401 -0.175 12 2HZ LYS 1 2HZ LYS 1 -1.181 -2.879 0.079 13 3HZ LYS 1 3HZ LYS 1 0.033 -3.968 0.146 14 H SER 2 HN SER 2 3.411 0.887 -3.280 15 HA SER 2 HA SER 2 5.199 2.510 -1.956 16 1HB SER 2 2HB SER 2 4.538 1.818 -4.673 17 2HB SER 2 3HB SER 2 4.704 3.561 -4.595 18 HG SER 2 HG SER 2 6.681 1.850 -4.796 19 HA PRO 3 HA PRO 3 3.110 6.311 -1.487 20 1HB PRO 3 2HB PRO 3 4.770 8.252 -2.457 21 2HB PRO 3 3HB PRO 3 5.002 7.484 -0.899 22 1HG PRO 3 2HG PRO 3 6.500 7.065 -3.413 23 2HG PRO 3 3HG PRO 3 6.965 6.647 -1.776 24 1HD PRO 3 2HD PRO 3 6.000 4.855 -3.797 25 2HD PRO 3 3HD PRO 3 6.354 4.459 -2.127 26 H GLU 4 HN GLU 4 4.283 5.957 -4.759 27 HA GLU 4 HA GLU 4 2.785 7.891 -5.934 28 1HB GLU 4 2HB GLU 4 4.422 5.794 -6.777 29 2HB GLU 4 3HB GLU 4 2.878 5.385 -7.496 30 1HG GLU 4 2HG GLU 4 3.657 8.262 -7.720 31 2HG GLU 4 3HG GLU 4 4.677 7.145 -8.605 32 H GLU 5 HN GLU 5 1.846 4.493 -5.120 33 HA GLU 5 HA GLU 5 -0.700 4.726 -6.260 34 1HB GLU 5 2HB GLU 5 0.817 2.753 -4.669 35 2HB GLU 5 3HB GLU 5 -0.899 2.732 -4.315 36 1HG GLU 5 2HG GLU 5 -0.769 2.945 -7.133 37 2HG GLU 5 3HG GLU 5 0.511 1.820 -6.724 38 H LEU 6 HN LEU 6 0.699 5.539 -3.096 39 HA LEU 6 HA LEU 6 -1.690 5.665 -1.645 40 1HB LEU 6 2HB LEU 6 1.068 6.775 -1.358 41 2HB LEU 6 3HB LEU 6 -0.202 7.397 -0.322 42 HG LEU 6 HG LEU 6 0.493 4.457 -0.554 43 1HD1 LEU 6 1HD1 LEU 6 1.591 6.614 1.221 44 2HD1 LEU 6 2HD1 LEU 6 1.439 4.948 1.830 45 3HD1 LEU 6 3HD1 LEU 6 2.429 5.281 0.390 46 1HD2 LEU 6 1HD2 LEU 6 -0.685 4.725 1.852 47 2HD2 LEU 6 2HD2 LEU 6 -1.531 6.010 0.957 48 3HD2 LEU 6 3HD2 LEU 6 -1.570 4.335 0.358 49 H LYS 7 HN LYS 7 0.042 8.035 -3.727 50 HA LYS 7 HA LYS 7 -1.556 10.230 -3.094 51 1HB LYS 7 2HB LYS 7 0.697 9.861 -4.525 52 2HB LYS 7 3HB LYS 7 -0.447 9.978 -5.846 53 1HG LYS 7 2HG LYS 7 -0.783 12.011 -3.677 54 2HG LYS 7 3HG LYS 7 0.692 12.150 -4.614 55 1HD LYS 7 2HD LYS 7 -1.454 11.651 -6.468 56 2HD LYS 7 3HD LYS 7 -1.998 12.903 -5.370 57 1HE LYS 7 2HE LYS 7 0.453 13.903 -5.817 58 2HE LYS 7 3HE LYS 7 0.345 12.938 -7.276 59 1HZ LYS 7 1HZ LYS 7 -1.725 14.049 -7.786 60 2HZ LYS 7 2HZ LYS 7 -1.624 14.948 -6.426 61 3HZ LYS 7 3HZ LYS 7 -0.520 15.138 -7.615 62 H GLY 8 HN GLY 8 -1.800 7.821 -5.800 63 1HA GLY 8 1HA GLY 8 -4.097 8.843 -6.983 64 2HA GLY 8 2HA GLY 8 -3.557 7.177 -7.043 65 H ILE 9 HN ILE 9 -3.798 6.144 -4.553 66 HA ILE 9 HA ILE 9 -6.502 5.689 -4.278 67 HB ILE 9 HB ILE 9 -4.123 5.270 -2.498 68 1HG1 ILE 9 2HG1 ILE 9 -5.941 3.418 -4.066 69 2HG1 ILE 9 3HG1 ILE 9 -4.295 3.862 -4.474 70 1HG2 ILE 9 1HG2 ILE 9 -6.183 3.709 -1.448 71 2HG2 ILE 9 2HG2 ILE 9 -5.417 5.128 -0.696 72 3HG2 ILE 9 3HG2 ILE 9 -6.901 5.324 -1.659 73 1HD1 ILE 9 1HD1 ILE 9 -5.134 1.702 -2.833 74 2HD1 ILE 9 2HD1 ILE 9 -3.465 2.250 -3.119 75 3HD1 ILE 9 3HD1 ILE 9 -4.384 2.884 -1.733 76 H PHE 10 HN PHE 10 -4.343 7.950 -2.452 77 HA PHE 10 HA PHE 10 -6.147 8.858 -0.620 78 1HB PHE 10 2HB PHE 10 -3.871 9.616 -0.505 79 2HB PHE 10 3HB PHE 10 -3.821 10.006 -2.213 80 HD1 PHE 10 HD1 PHE 10 -4.809 12.109 -3.036 81 HD2 PHE 10 HD2 PHE 10 -4.657 11.214 1.109 82 HE1 PHE 10 HE1 PHE 10 -5.247 14.522 -2.499 83 HE2 PHE 10 HE2 PHE 10 -5.095 13.627 1.646 84 HZ PHE 10 HZ PHE 10 -5.384 15.252 -0.165 85 H GLU 11 HN GLU 11 -5.495 10.273 -3.909 86 HA GLU 11 HA GLU 11 -7.473 12.198 -3.693 87 1HB GLU 11 2HB GLU 11 -5.610 11.230 -5.696 88 2HB GLU 11 3HB GLU 11 -7.169 11.501 -6.449 89 1HG GLU 11 2HG GLU 11 -6.960 13.754 -4.862 90 2HG GLU 11 3HG GLU 11 -5.275 13.467 -5.250 91 H LYS 12 HN LYS 12 -7.524 8.788 -4.783 92 HA LYS 12 HA LYS 12 -10.000 8.809 -6.039 93 1HB LYS 12 2HB LYS 12 -8.067 6.995 -5.779 94 2HB LYS 12 3HB LYS 12 -9.104 6.409 -4.494 95 1HG LYS 12 2HG LYS 12 -10.998 6.181 -6.028 96 2HG LYS 12 3HG LYS 12 -10.119 6.985 -7.314 97 1HD LYS 12 2HD LYS 12 -8.343 5.020 -6.882 98 2HD LYS 12 3HD LYS 12 -9.737 4.201 -6.206 99 1HE LYS 12 2HE LYS 12 -10.968 4.373 -8.292 100 2HE LYS 12 3HE LYS 12 -9.803 5.495 -8.967 101 1HZ LYS 12 1HZ LYS 12 -9.260 2.691 -8.271 102 2HZ LYS 12 2HZ LYS 12 -9.441 3.286 -9.781 103 3HZ LYS 12 3HZ LYS 12 -8.159 3.735 -8.876 104 H TYR 13 HN TYR 13 -9.087 8.974 -2.636 105 HA TYR 13 HA TYR 13 -11.825 8.385 -1.821 106 1HB TYR 13 2HB TYR 13 -9.037 8.644 -0.647 107 2HB TYR 13 3HB TYR 13 -10.364 9.018 0.436 108 HD1 TYR 13 HD1 TYR 13 -9.155 6.337 -1.883 109 HD2 TYR 13 HD2 TYR 13 -11.430 7.296 1.611 110 HE1 TYR 13 HE1 TYR 13 -9.463 3.861 -1.395 111 HE2 TYR 13 HE2 TYR 13 -11.730 4.817 2.087 112 HH TYR 13 HH TYR 13 -10.004 2.406 0.242 113 H ALA 14 HN ALA 14 -9.328 11.006 -1.633 114 HA ALA 14 HA ALA 14 -10.905 12.825 -0.241 115 1HB ALA 14 1HB ALA 14 -8.361 12.790 -0.853 116 2HB ALA 14 2HB ALA 14 -8.879 13.634 -2.332 117 3HB ALA 14 3HB ALA 14 -9.200 14.356 -0.737 118 H ALA 15 HN ALA 15 -11.058 11.651 -3.536 119 HA ALA 15 HA ALA 15 -12.503 13.961 -4.487 120 1HB ALA 15 1HB ALA 15 -10.881 12.550 -5.852 121 2HB ALA 15 2HB ALA 15 -12.109 11.261 -5.826 122 3HB ALA 15 3HB ALA 15 -12.474 12.823 -6.598 123 H LYS 16 HN LYS 16 -13.121 10.901 -2.888 124 HA LYS 16 HA LYS 16 -15.657 10.325 -3.806 125 1HB LYS 16 2HB LYS 16 -13.906 9.323 -1.906 126 2HB LYS 16 3HB LYS 16 -15.268 9.851 -0.939 127 1HG LYS 16 2HG LYS 16 -16.774 8.621 -2.658 128 2HG LYS 16 3HG LYS 16 -15.302 7.899 -3.278 129 1HD LYS 16 2HD LYS 16 -14.955 6.604 -1.372 130 2HD LYS 16 3HD LYS 16 -15.711 7.770 -0.304 131 1HE LYS 16 2HE LYS 16 -17.430 6.365 -2.360 132 2HE LYS 16 3HE LYS 16 -16.945 5.481 -0.926 133 1HZ LYS 16 1HZ LYS 16 -17.753 7.878 0.023 134 2HZ LYS 16 2HZ LYS 16 -18.825 7.581 -1.173 135 3HZ LYS 16 3HZ LYS 16 -18.632 6.502 0.038 136 H GLU 17 HN GLU 17 -14.849 12.122 -0.747 137 HA GLU 17 HA GLU 17 -17.333 13.584 -1.207 138 1HB GLU 17 2HB GLU 17 -16.107 12.549 1.373 139 2HB GLU 17 3HB GLU 17 -17.291 13.841 1.382 140 1HG GLU 17 2HG GLU 17 -18.422 11.901 -0.326 141 2HG GLU 17 3HG GLU 17 -17.685 10.956 0.953 142 H GLY 18 HN GLY 18 -17.177 15.806 -1.296 143 1HA GLY 18 1HA GLY 18 -16.297 17.873 -1.163 144 2HA GLY 18 2HA GLY 18 -15.241 17.305 0.115 145 H ASP 19 HN ASP 19 -13.968 19.062 -1.346 146 HA ASP 19 HA ASP 19 -12.974 18.307 -3.783 147 1HB ASP 19 2HB ASP 19 -12.734 20.506 -2.254 148 2HB ASP 19 3HB ASP 19 -11.209 19.765 -1.813 149 HA PRO 20 HA PRO 20 -10.131 15.175 -2.586 150 1HB PRO 20 2HB PRO 20 -8.679 14.951 -4.891 151 2HB PRO 20 3HB PRO 20 -10.236 14.180 -4.660 152 1HG PRO 20 2HG PRO 20 -9.573 16.575 -6.261 153 2HG PRO 20 3HG PRO 20 -10.994 15.554 -6.350 154 1HD PRO 20 2HD PRO 20 -10.817 18.147 -5.138 155 2HD PRO 20 3HD PRO 20 -12.205 17.077 -5.126 156 H ASN 21 HN ASN 21 -9.379 18.340 -2.925 157 HA ASN 21 HA ASN 21 -6.557 17.925 -2.595 158 1HB ASN 21 2HB ASN 21 -8.383 20.329 -2.912 159 2HB ASN 21 3HB ASN 21 -6.780 20.577 -2.250 160 1HD2 ASN 21 1HD2 ASN 21 -8.660 20.101 -5.026 161 2HD2 ASN 21 2HD2 ASN 21 -7.407 19.986 -6.215 162 H GLN 22 HN GLN 22 -9.242 17.637 -0.652 163 HA GLN 22 HA GLN 22 -7.691 18.202 1.698 164 1HB GLN 22 2HB GLN 22 -9.895 19.341 2.657 165 2HB GLN 22 3HB GLN 22 -8.704 20.286 1.785 166 1HG GLN 22 2HG GLN 22 -10.621 19.029 -0.055 167 2HG GLN 22 3HG GLN 22 -11.442 20.011 1.142 168 1HE2 GLN 22 1HE2 GLN 22 -12.045 21.518 -0.395 169 2HE2 GLN 22 2HE2 GLN 22 -10.948 22.672 -1.077 170 H LEU 23 HN LEU 23 -8.037 16.629 3.243 171 HA LEU 23 HA LEU 23 -10.112 14.686 2.618 172 1HB LEU 23 2HB LEU 23 -7.688 14.625 4.412 173 2HB LEU 23 3HB LEU 23 -8.883 13.344 4.368 174 HG LEU 23 HG LEU 23 -6.625 13.356 2.897 175 1HD1 LEU 23 1HD1 LEU 23 -9.194 11.963 2.799 176 2HD1 LEU 23 2HD1 LEU 23 -8.321 11.936 1.248 177 3HD1 LEU 23 3HD1 LEU 23 -7.533 11.326 2.723 178 1HD2 LEU 23 1HD2 LEU 23 -7.072 15.240 1.532 179 2HD2 LEU 23 2HD2 LEU 23 -7.323 13.805 0.509 180 3HD2 LEU 23 3HD2 LEU 23 -8.723 14.683 1.171 181 H SER 24 HN SER 24 -11.502 13.831 4.364 182 HA SER 24 HA SER 24 -11.906 15.841 6.436 183 1HB SER 24 2HB SER 24 -14.105 14.320 4.967 184 2HB SER 24 3HB SER 24 -14.345 15.517 6.224 185 HG SER 24 HG SER 24 -14.260 15.994 3.638 186 H LYS 25 HN LYS 25 -13.197 14.909 8.361 187 HA LYS 25 HA LYS 25 -11.910 12.704 9.377 188 1HB LYS 25 2HB LYS 25 -13.075 14.405 10.715 189 2HB LYS 25 3HB LYS 25 -14.623 13.836 10.125 190 1HG LYS 25 2HG LYS 25 -13.653 11.468 11.020 191 2HG LYS 25 3HG LYS 25 -12.729 12.530 12.064 192 1HD LYS 25 2HD LYS 25 -15.377 13.569 12.102 193 2HD LYS 25 3HD LYS 25 -15.566 11.829 12.196 194 1HE LYS 25 2HE LYS 25 -13.443 12.301 13.955 195 2HE LYS 25 3HE LYS 25 -14.458 13.709 14.199 196 1HZ LYS 25 1HZ LYS 25 -16.112 11.498 14.064 197 2HZ LYS 25 2HZ LYS 25 -14.892 11.111 15.078 198 3HZ LYS 25 3HZ LYS 25 -15.801 12.438 15.363 199 H GLU 26 HN GLU 26 -15.316 12.847 8.104 200 HA GLU 26 HA GLU 26 -15.743 10.144 8.270 201 1HB GLU 26 2HB GLU 26 -17.097 12.448 7.241 202 2HB GLU 26 3HB GLU 26 -17.139 11.234 5.978 203 1HG GLU 26 2HG GLU 26 -17.700 9.751 8.290 204 2HG GLU 26 3HG GLU 26 -18.519 11.271 8.592 205 H GLU 27 HN GLU 27 -14.271 12.131 5.657 206 HA GLU 27 HA GLU 27 -14.213 10.129 3.746 207 1HB GLU 27 2HB GLU 27 -13.104 12.807 4.124 208 2HB GLU 27 3HB GLU 27 -11.944 11.769 3.318 209 1HG GLU 27 2HG GLU 27 -14.507 11.222 2.142 210 2HG GLU 27 3HG GLU 27 -14.354 12.965 2.239 211 H LEU 28 HN LEU 28 -11.532 11.319 5.908 212 HA LEU 28 HA LEU 28 -9.664 9.442 5.224 213 1HB LEU 28 2HB LEU 28 -9.555 11.530 6.735 214 2HB LEU 28 3HB LEU 28 -10.006 10.447 8.036 215 HG LEU 28 HG LEU 28 -7.973 9.440 8.112 216 1HD1 LEU 28 1HD1 LEU 28 -7.703 9.912 5.133 217 2HD1 LEU 28 2HD1 LEU 28 -6.454 9.156 6.151 218 3HD1 LEU 28 3HD1 LEU 28 -8.043 8.376 5.966 219 1HD2 LEU 28 1HD2 LEU 28 -6.797 11.747 6.627 220 2HD2 LEU 28 2HD2 LEU 28 -7.796 12.086 8.061 221 3HD2 LEU 28 3HD2 LEU 28 -6.358 11.048 8.204 222 H LYS 29 HN LYS 29 -12.339 9.209 7.634 223 HA LYS 29 HA LYS 29 -11.737 6.891 8.867 224 1HB LYS 29 2HB LYS 29 -13.695 8.289 9.355 225 2HB LYS 29 3HB LYS 29 -14.459 7.776 7.864 226 1HG LYS 29 2HG LYS 29 -14.874 5.607 8.648 227 2HG LYS 29 3HG LYS 29 -13.512 5.625 9.751 228 1HD LYS 29 2HD LYS 29 -14.951 7.593 10.913 229 2HD LYS 29 3HD LYS 29 -16.277 6.762 10.126 230 1HE LYS 29 2HE LYS 29 -14.522 4.807 11.389 231 2HE LYS 29 3HE LYS 29 -14.966 6.034 12.559 232 1HZ LYS 29 1HZ LYS 29 -16.912 4.642 10.856 233 2HZ LYS 29 2HZ LYS 29 -16.550 4.191 12.383 234 3HZ LYS 29 3HZ LYS 29 -17.244 5.643 12.104 235 H LEU 30 HN LEU 30 -13.461 7.180 5.682 236 HA LEU 30 HA LEU 30 -13.693 4.477 5.203 237 1HB LEU 30 2HB LEU 30 -13.300 6.728 3.226 238 2HB LEU 30 3HB LEU 30 -13.892 5.124 2.840 239 HG LEU 30 HG LEU 30 -15.258 7.329 4.362 240 1HD1 LEU 30 1HD1 LEU 30 -15.800 5.711 1.893 241 2HD1 LEU 30 2HD1 LEU 30 -17.147 6.458 2.786 242 3HD1 LEU 30 3HD1 LEU 30 -15.839 7.474 2.134 243 1HD2 LEU 30 1HD2 LEU 30 -15.524 5.463 5.840 244 2HD2 LEU 30 2HD2 LEU 30 -17.053 5.699 4.959 245 3HD2 LEU 30 3HD2 LEU 30 -15.949 4.384 4.489 246 H LEU 31 HN LEU 31 -11.067 6.732 4.090 247 HA LEU 31 HA LEU 31 -9.498 4.857 2.860 248 1HB LEU 31 2HB LEU 31 -9.341 7.449 3.092 249 2HB LEU 31 3HB LEU 31 -8.306 7.093 4.461 250 HG LEU 31 HG LEU 31 -7.366 5.491 2.319 251 1HD1 LEU 31 1HD1 LEU 31 -8.509 8.026 1.392 252 2HD1 LEU 31 2HD1 LEU 31 -6.796 7.811 0.958 253 3HD1 LEU 31 3HD1 LEU 31 -7.996 6.588 0.478 254 1HD2 LEU 31 1HD2 LEU 31 -6.245 8.039 3.521 255 2HD2 LEU 31 2HD2 LEU 31 -6.018 6.388 4.148 256 3HD2 LEU 31 3HD2 LEU 31 -5.338 6.841 2.566 257 H LEU 32 HN LEU 32 -9.052 6.062 6.264 258 HA LEU 32 HA LEU 32 -7.144 4.279 7.023 259 1HB LEU 32 2HB LEU 32 -9.416 5.308 8.727 260 2HB LEU 32 3HB LEU 32 -7.882 4.686 9.302 261 HG LEU 32 HG LEU 32 -8.073 7.112 7.508 262 1HD1 LEU 32 1HD1 LEU 32 -9.265 7.952 9.271 263 2HD1 LEU 32 2HD1 LEU 32 -8.489 6.879 10.460 264 3HD1 LEU 32 3HD1 LEU 32 -7.607 8.288 9.824 265 1HD2 LEU 32 1HD2 LEU 32 -5.856 7.386 9.101 266 2HD2 LEU 32 2HD2 LEU 32 -5.904 5.630 8.816 267 3HD2 LEU 32 3HD2 LEU 32 -5.866 6.754 7.437 268 H GLN 33 HN GLN 33 -10.504 3.674 6.245 269 HA GLN 33 HA GLN 33 -10.749 1.316 7.747 270 1HB GLN 33 2HB GLN 33 -12.471 2.933 6.326 271 2HB GLN 33 3HB GLN 33 -12.357 1.551 5.255 272 1HG GLN 33 2HG GLN 33 -12.786 0.089 7.366 273 2HG GLN 33 3HG GLN 33 -13.247 1.578 8.166 274 1HE2 GLN 33 1HE2 GLN 33 -14.750 3.002 6.769 275 2HE2 GLN 33 2HE2 GLN 33 -16.116 2.205 6.061 276 H THR 34 HN THR 34 -10.439 1.803 4.148 277 HA THR 34 HA THR 34 -9.621 -0.943 3.833 278 HB THR 34 HB THR 34 -10.533 1.351 2.175 279 HG1 THR 34 HG1 THR 34 -11.595 -0.771 2.724 280 1HG2 THR 34 1HG2 THR 34 -8.319 1.077 1.103 281 2HG2 THR 34 2HG2 THR 34 -8.510 -0.692 1.114 282 3HG2 THR 34 3HG2 THR 34 -9.561 0.311 0.085 283 H GLU 35 HN GLU 35 -8.096 2.315 3.428 284 HA GLU 35 HA GLU 35 -5.690 1.523 2.534 285 1HB GLU 35 2HB GLU 35 -6.234 3.868 2.765 286 2HB GLU 35 3HB GLU 35 -6.410 3.729 4.503 287 1HG GLU 35 2HG GLU 35 -4.227 4.760 3.875 288 2HG GLU 35 3HG GLU 35 -4.007 3.267 4.766 289 H PHE 36 HN PHE 36 -6.511 2.010 6.052 290 HA PHE 36 HA PHE 36 -4.896 -0.297 6.695 291 1HB PHE 36 2HB PHE 36 -4.338 2.615 7.470 292 2HB PHE 36 3HB PHE 36 -3.768 1.308 8.489 293 HD1 PHE 36 HD1 PHE 36 -2.616 3.530 6.256 294 HD2 PHE 36 HD2 PHE 36 -2.709 -0.681 6.773 295 HE1 PHE 36 HE1 PHE 36 -0.565 3.309 4.826 296 HE2 PHE 36 HE2 PHE 36 -0.657 -0.902 5.344 297 HZ PHE 36 HZ PHE 36 0.390 1.096 4.388 298 HA PRO 37 HA PRO 37 -8.483 0.082 9.346 299 1HB PRO 37 2HB PRO 37 -9.171 -2.563 9.332 300 2HB PRO 37 3HB PRO 37 -9.816 -1.399 8.192 301 1HG PRO 37 2HG PRO 37 -7.768 -3.484 7.751 302 2HG PRO 37 3HG PRO 37 -8.722 -2.614 6.566 303 1HD PRO 37 2HD PRO 37 -5.969 -2.153 7.227 304 2HD PRO 37 3HD PRO 37 -6.955 -1.210 6.127 305 H SER 38 HN SER 38 -5.456 -1.047 9.646 306 HA SER 38 HA SER 38 -5.926 -2.291 12.195 307 1HB SER 38 2HB SER 38 -3.834 -2.325 10.183 308 2HB SER 38 3HB SER 38 -3.130 -1.909 11.733 309 HG SER 38 HG SER 38 -4.678 -3.866 12.418 310 H LEU 39 HN LEU 39 -4.731 0.749 10.757 311 HA LEU 39 HA LEU 39 -3.555 1.754 13.122 312 1HB LEU 39 2HB LEU 39 -3.895 2.530 10.396 313 2HB LEU 39 3HB LEU 39 -4.428 3.854 11.412 314 HG LEU 39 HG LEU 39 -1.974 3.796 10.653 315 1HD1 LEU 39 1HD1 LEU 39 -2.968 4.332 13.431 316 2HD1 LEU 39 2HD1 LEU 39 -1.238 4.523 13.056 317 3HD1 LEU 39 3HD1 LEU 39 -2.453 5.468 12.161 318 1HD2 LEU 39 1HD2 LEU 39 -1.571 1.968 13.013 319 2HD2 LEU 39 2HD2 LEU 39 -1.774 1.328 11.365 320 3HD2 LEU 39 3HD2 LEU 39 -0.424 2.429 11.732 321 H LEU 40 HN LEU 40 -6.840 1.355 12.006 322 HA LEU 40 HA LEU 40 -7.924 3.476 13.576 323 1HB LEU 40 2HB LEU 40 -9.156 1.105 12.173 324 2HB LEU 40 3HB LEU 40 -10.084 2.319 13.032 325 HG LEU 40 HG LEU 40 -8.241 2.954 10.714 326 1HD1 LEU 40 1HD1 LEU 40 -9.967 1.465 9.907 327 2HD1 LEU 40 2HD1 LEU 40 -11.228 2.444 10.693 328 3HD1 LEU 40 3HD1 LEU 40 -10.290 3.121 9.340 329 1HD2 LEU 40 1HD2 LEU 40 -10.124 4.547 12.410 330 2HD2 LEU 40 2HD2 LEU 40 -8.513 4.965 11.780 331 3HD2 LEU 40 3HD2 LEU 40 -9.924 4.981 10.695 332 H LYS 41 HN LYS 41 -6.933 0.135 14.098 333 HA LYS 41 HA LYS 41 -8.526 -0.268 16.413 334 1HB LYS 41 2HB LYS 41 -7.610 -2.358 16.458 335 2HB LYS 41 3HB LYS 41 -7.329 -1.958 14.776 336 1HG LYS 41 2HG LYS 41 -5.168 -2.565 15.273 337 2HG LYS 41 3HG LYS 41 -5.053 -0.910 15.838 338 1HD LYS 41 2HD LYS 41 -6.132 -2.220 18.054 339 2HD LYS 41 3HD LYS 41 -5.055 -3.433 17.392 340 1HE LYS 41 2HE LYS 41 -3.737 -0.833 17.343 341 2HE LYS 41 3HE LYS 41 -4.349 -1.148 18.955 342 1HZ LYS 41 1HZ LYS 41 -2.094 -2.174 17.899 343 2HZ LYS 41 2HZ LYS 41 -2.843 -2.720 19.243 344 3HZ LYS 41 3HZ LYS 41 -3.130 -3.433 17.802 345 H GLY 42 HN GLY 42 -5.386 1.224 15.696 346 1HA GLY 42 1HA GLY 42 -4.013 1.171 18.008 347 2HA GLY 42 2HA GLY 42 -4.147 2.599 17.001 348 H MET 43 HN MET 43 -3.794 2.884 19.758 349 HA MET 43 HA MET 43 -6.242 3.065 21.113 350 1HB MET 43 2HB MET 43 -3.537 4.432 21.606 351 2HB MET 43 3HB MET 43 -4.834 4.362 22.782 352 1HG MET 43 2HG MET 43 -4.672 1.719 22.290 353 2HG MET 43 3HG MET 43 -3.046 2.140 21.794 354 1HE MET 43 1HE MET 43 -1.067 2.257 23.649 355 2HE MET 43 2HE MET 43 -1.586 1.281 25.044 356 3HE MET 43 3HE MET 43 -1.989 0.757 23.391 357 H SER 44 HN SER 44 -5.083 4.858 18.522 358 HA SER 44 HA SER 44 -6.097 7.374 19.499 359 1HB SER 44 2HB SER 44 -3.978 7.246 18.147 360 2HB SER 44 3HB SER 44 -4.907 6.657 16.782 361 HG SER 44 HG SER 44 -6.180 8.685 16.930 362 H THR 45 HN THR 45 -8.352 7.291 19.582 363 HA THR 45 HA THR 45 -9.942 5.853 17.783 364 HB THR 45 HB THR 45 -11.765 7.192 18.855 365 HG1 THR 45 HG1 THR 45 -10.993 9.249 19.215 366 1HG2 THR 45 1HG2 THR 45 -11.499 6.234 20.936 367 2HG2 THR 45 2HG2 THR 45 -10.039 5.501 20.230 368 3HG2 THR 45 3HG2 THR 45 -9.912 7.002 21.179 369 H LEU 46 HN LEU 46 -11.707 6.946 16.394 370 HA LEU 46 HA LEU 46 -10.489 8.051 14.201 371 1HB LEU 46 2HB LEU 46 -12.830 6.983 14.589 372 2HB LEU 46 3HB LEU 46 -13.351 8.630 14.886 373 HG LEU 46 HG LEU 46 -13.617 7.638 12.520 374 1HD1 LEU 46 1HD1 LEU 46 -12.287 10.163 12.014 375 2HD1 LEU 46 2HD1 LEU 46 -14.015 9.745 11.937 376 3HD1 LEU 46 3HD1 LEU 46 -13.288 10.241 13.484 377 1HD2 LEU 46 1HD2 LEU 46 -11.786 7.657 11.039 378 2HD2 LEU 46 2HD2 LEU 46 -10.740 8.501 12.207 379 3HD2 LEU 46 3HD2 LEU 46 -11.212 6.809 12.495 380 H ASP 47 HN ASP 47 -12.628 9.849 16.533 381 HA ASP 47 HA ASP 47 -12.234 12.314 15.622 382 1HB ASP 47 2HB ASP 47 -13.324 11.211 17.895 383 2HB ASP 47 3HB ASP 47 -11.958 12.062 18.590 384 H GLU 48 HN GLU 48 -10.149 10.528 18.013 385 HA GLU 48 HA GLU 48 -8.339 12.518 18.479 386 1HB GLU 48 2HB GLU 48 -8.550 9.654 18.928 387 2HB GLU 48 3HB GLU 48 -6.901 10.055 18.489 388 1HG GLU 48 2HG GLU 48 -7.321 12.075 20.234 389 2HG GLU 48 3HG GLU 48 -8.506 10.954 20.875 390 H LEU 49 HN LEU 49 -8.379 10.000 15.885 391 HA LEU 49 HA LEU 49 -5.893 10.707 14.795 392 1HB LEU 49 2HB LEU 49 -7.720 8.704 14.455 393 2HB LEU 49 3HB LEU 49 -7.925 9.614 12.972 394 HG LEU 49 HG LEU 49 -5.237 9.457 12.990 395 1HD1 LEU 49 1HD1 LEU 49 -4.650 7.095 13.666 396 2HD1 LEU 49 2HD1 LEU 49 -4.943 8.237 15.000 397 3HD1 LEU 49 3HD1 LEU 49 -6.194 7.052 14.552 398 1HD2 LEU 49 1HD2 LEU 49 -6.007 8.698 11.028 399 2HD2 LEU 49 2HD2 LEU 49 -5.837 7.087 11.766 400 3HD2 LEU 49 3HD2 LEU 49 -7.418 7.905 11.770 401 H PHE 50 HN PHE 50 -9.264 11.819 14.197 402 HA PHE 50 HA PHE 50 -8.730 13.342 11.945 403 1HB PHE 50 2HB PHE 50 -10.972 12.689 12.996 404 2HB PHE 50 3HB PHE 50 -10.656 13.818 14.299 405 HD1 PHE 50 HD1 PHE 50 -12.400 15.358 14.037 406 HD2 PHE 50 HD2 PHE 50 -10.012 14.343 10.679 407 HE1 PHE 50 HE1 PHE 50 -13.486 17.192 12.711 408 HE2 PHE 50 HE2 PHE 50 -11.098 16.177 9.353 409 HZ PHE 50 HZ PHE 50 -12.822 17.579 10.385 410 H GLU 51 HN GLU 51 -8.824 14.325 15.444 411 HA GLU 51 HA GLU 51 -8.064 16.956 14.866 412 1HB GLU 51 2HB GLU 51 -8.789 15.386 17.179 413 2HB GLU 51 3HB GLU 51 -7.322 16.268 17.554 414 1HG GLU 51 2HG GLU 51 -8.708 18.264 16.325 415 2HG GLU 51 3HG GLU 51 -10.061 17.318 16.914 416 H GLU 52 HN GLU 52 -6.278 13.985 15.852 417 HA GLU 52 HA GLU 52 -3.847 15.222 16.294 418 1HB GLU 52 2HB GLU 52 -4.501 12.866 16.942 419 2HB GLU 52 3HB GLU 52 -4.324 12.391 15.264 420 1HG GLU 52 2HG GLU 52 -1.946 12.984 15.275 421 2HG GLU 52 3HG GLU 52 -2.081 13.700 16.869 422 H LEU 53 HN LEU 53 -5.053 13.458 13.346 423 HA LEU 53 HA LEU 53 -2.846 13.976 11.762 424 1HB LEU 53 2HB LEU 53 -5.734 13.640 10.940 425 2HB LEU 53 3HB LEU 53 -4.344 13.494 9.884 426 HG LEU 53 HG LEU 53 -4.516 11.741 12.314 427 1HD1 LEU 53 1HD1 LEU 53 -6.580 11.836 10.392 428 2HD1 LEU 53 2HD1 LEU 53 -5.617 10.383 10.030 429 3HD1 LEU 53 3HD1 LEU 53 -6.307 10.612 11.655 430 1HD2 LEU 53 1HD2 LEU 53 -2.497 11.912 10.753 431 2HD2 LEU 53 2HD2 LEU 53 -3.121 10.285 11.116 432 3HD2 LEU 53 3HD2 LEU 53 -3.499 11.056 9.557 433 H ASP 54 HN ASP 54 -5.970 15.814 12.008 434 HA ASP 54 HA ASP 54 -4.993 17.843 10.318 435 1HB ASP 54 2HB ASP 54 -7.464 17.105 11.012 436 2HB ASP 54 3HB ASP 54 -7.237 18.264 12.306 437 H LYS 55 HN LYS 55 -2.931 18.383 11.466 438 HA LYS 55 HA LYS 55 -3.327 19.725 14.037 439 1HB LYS 55 2HB LYS 55 -1.611 17.809 13.628 440 2HB LYS 55 3HB LYS 55 -0.657 19.038 12.822 441 1HG LYS 55 2HG LYS 55 0.111 19.160 15.053 442 2HG LYS 55 3HG LYS 55 -1.039 20.480 14.968 443 1HD LYS 55 2HD LYS 55 -2.323 17.921 15.696 444 2HD LYS 55 3HD LYS 55 -1.069 18.380 16.830 445 1HE LYS 55 2HE LYS 55 -3.135 20.416 15.926 446 2HE LYS 55 3HE LYS 55 -3.516 19.277 17.202 447 1HZ LYS 55 1HZ LYS 55 -1.555 21.414 17.198 448 2HZ LYS 55 2HZ LYS 55 -2.606 20.974 18.368 449 3HZ LYS 55 3HZ LYS 55 -1.251 20.099 18.116 450 H ASN 56 HN ASN 56 -3.488 20.435 10.816 451 HA ASN 56 HA ASN 56 -1.846 22.775 10.892 452 1HB ASN 56 2HB ASN 56 -2.675 23.124 8.574 453 2HB ASN 56 3HB ASN 56 -2.136 21.470 8.780 454 1HD2 ASN 56 1HD2 ASN 56 -3.574 21.465 6.780 455 2HD2 ASN 56 2HD2 ASN 56 -5.234 21.027 7.006 456 H GLY 57 HN GLY 57 -4.548 22.079 12.510 457 1HA GLY 57 1HA GLY 57 -6.503 23.103 13.060 458 2HA GLY 57 2HA GLY 57 -5.443 24.492 13.201 459 H ASP 58 HN ASP 58 -6.941 22.595 10.473 460 HA ASP 58 HA ASP 58 -7.897 25.158 9.472 461 1HB ASP 58 2HB ASP 58 -6.274 24.720 7.861 462 2HB ASP 58 3HB ASP 58 -6.343 22.986 8.108 463 H GLY 59 HN GLY 59 -8.100 21.535 9.071 464 1HA GLY 59 1HA GLY 59 -10.320 20.644 9.851 465 2HA GLY 59 2HA GLY 59 -11.026 21.806 8.746 466 H GLU 60 HN GLU 60 -8.189 21.041 7.231 467 HA GLU 60 HA GLU 60 -9.439 18.784 5.868 468 1HB GLU 60 2HB GLU 60 -7.661 20.964 4.688 469 2HB GLU 60 3HB GLU 60 -8.277 19.586 3.799 470 1HG GLU 60 2HG GLU 60 -9.872 21.230 3.282 471 2HG GLU 60 3HG GLU 60 -10.645 20.399 4.618 472 H VAL 61 HN VAL 61 -8.209 16.925 5.583 473 HA VAL 61 HA VAL 61 -5.518 17.042 6.735 474 HB VAL 61 HB VAL 61 -7.542 14.832 6.387 475 1HG1 VAL 61 1HG1 VAL 61 -4.592 14.683 6.803 476 2HG1 VAL 61 2HG1 VAL 61 -5.610 13.600 7.783 477 3HG1 VAL 61 3HG1 VAL 61 -5.700 13.540 6.006 478 1HG2 VAL 61 1HG2 VAL 61 -7.461 16.612 8.358 479 2HG2 VAL 61 2HG2 VAL 61 -7.841 14.899 8.662 480 3HG2 VAL 61 3HG2 VAL 61 -6.201 15.517 8.975 481 H SER 62 HN SER 62 -5.152 18.174 4.469 482 HA SER 62 HA SER 62 -5.292 16.834 2.135 483 1HB SER 62 2HB SER 62 -2.744 18.287 2.412 484 2HB SER 62 3HB SER 62 -4.093 18.598 1.338 485 HG SER 62 HG SER 62 -3.500 19.709 3.849 486 H PHE 63 HN PHE 63 -2.975 16.250 0.890 487 HA PHE 63 HA PHE 63 -2.263 13.765 1.950 488 1HB PHE 63 2HB PHE 63 -2.195 14.646 -0.476 489 2HB PHE 63 3HB PHE 63 -0.795 15.603 -0.034 490 HD1 PHE 63 HD1 PHE 63 -1.741 12.056 0.671 491 HD2 PHE 63 HD2 PHE 63 1.078 14.724 -1.044 492 HE1 PHE 63 HE1 PHE 63 -0.243 10.118 0.119 493 HE2 PHE 63 HE2 PHE 63 2.576 12.786 -1.597 494 HZ PHE 63 HZ PHE 63 1.897 10.507 -1.008 495 H GLU 64 HN GLU 64 -1.088 17.008 2.572 496 HA GLU 64 HA GLU 64 1.527 16.371 3.247 497 1HB GLU 64 2HB GLU 64 0.042 18.571 4.680 498 2HB GLU 64 3HB GLU 64 1.673 18.574 4.038 499 1HG GLU 64 2HG GLU 64 -0.943 18.953 2.572 500 2HG GLU 64 3HG GLU 64 0.519 19.916 2.481 501 H GLU 65 HN GLU 65 -1.409 16.837 5.347 502 HA GLU 65 HA GLU 65 -0.110 16.118 7.685 503 1HB GLU 65 2HB GLU 65 -3.064 15.955 6.944 504 2HB GLU 65 3HB GLU 65 -2.448 15.797 8.577 505 1HG GLU 65 2HG GLU 65 -1.352 18.188 7.279 506 2HG GLU 65 3HG GLU 65 -3.103 18.202 7.230 507 H PHE 66 HN PHE 66 -1.452 14.222 5.031 508 HA PHE 66 HA PHE 66 -1.948 11.836 6.352 509 1HB PHE 66 2HB PHE 66 -2.350 12.698 3.884 510 2HB PHE 66 3HB PHE 66 -0.703 12.188 3.570 511 HD1 PHE 66 HD1 PHE 66 -0.723 10.273 2.293 512 HD2 PHE 66 HD2 PHE 66 -3.509 10.614 5.475 513 HE1 PHE 66 HE1 PHE 66 -1.532 7.942 1.834 514 HE2 PHE 66 HE2 PHE 66 -4.318 8.283 5.016 515 HZ PHE 66 HZ PHE 66 -3.320 6.974 3.201 516 H GLN 67 HN GLN 67 1.093 13.221 5.008 517 HA GLN 67 HA GLN 67 2.600 10.917 5.237 518 1HB GLN 67 2HB GLN 67 3.517 13.817 5.480 519 2HB GLN 67 3HB GLN 67 4.556 12.450 5.131 520 1HG GLN 67 2HG GLN 67 2.619 12.123 3.194 521 2HG GLN 67 3HG GLN 67 2.626 13.868 3.351 522 1HE2 GLN 67 1HE2 GLN 67 3.371 12.859 1.016 523 2HE2 GLN 67 2HE2 GLN 67 5.077 12.994 0.743 524 H VAL 68 HN VAL 68 1.154 12.849 7.669 525 HA VAL 68 HA VAL 68 3.187 12.496 9.653 526 HB VAL 68 HB VAL 68 0.280 13.254 9.981 527 1HG1 VAL 68 1HG1 VAL 68 2.746 13.645 11.700 528 2HG1 VAL 68 2HG1 VAL 68 1.221 14.525 11.957 529 3HG1 VAL 68 3HG1 VAL 68 1.259 12.751 12.099 530 1HG2 VAL 68 1HG2 VAL 68 1.456 14.660 8.273 531 2HG2 VAL 68 2HG2 VAL 68 0.909 15.563 9.707 532 3HG2 VAL 68 3HG2 VAL 68 2.626 15.127 9.531 533 H LEU 69 HN LEU 69 0.163 10.863 8.621 534 HA LEU 69 HA LEU 69 0.186 9.082 10.852 535 1HB LEU 69 2HB LEU 69 -1.771 9.936 9.348 536 2HB LEU 69 3HB LEU 69 -1.311 8.609 8.299 537 HG LEU 69 HG LEU 69 -1.797 6.980 9.980 538 1HD1 LEU 69 1HD1 LEU 69 -1.229 7.538 12.075 539 2HD1 LEU 69 2HD1 LEU 69 -1.550 9.269 11.812 540 3HD1 LEU 69 3HD1 LEU 69 -2.893 8.161 12.187 541 1HD2 LEU 69 1HD2 LEU 69 -3.908 9.107 9.653 542 2HD2 LEU 69 2HD2 LEU 69 -3.757 7.534 8.833 543 3HD2 LEU 69 3HD2 LEU 69 -4.222 7.601 10.550 544 H VAL 70 HN VAL 70 1.534 9.174 7.564 545 HA VAL 70 HA VAL 70 2.010 6.484 7.184 546 HB VAL 70 HB VAL 70 3.268 9.039 6.278 547 1HG1 VAL 70 1HG1 VAL 70 4.654 7.474 4.695 548 2HG1 VAL 70 2HG1 VAL 70 5.264 7.860 6.322 549 3HG1 VAL 70 3HG1 VAL 70 4.472 6.295 6.017 550 1HG2 VAL 70 1HG2 VAL 70 1.759 6.761 4.975 551 2HG2 VAL 70 2HG2 VAL 70 1.273 8.466 5.136 552 3HG2 VAL 70 3HG2 VAL 70 2.599 8.019 4.036 553 H LYS 71 HN LYS 71 3.454 8.776 9.431 554 HA LYS 71 HA LYS 71 5.853 7.322 9.841 555 1HB LYS 71 2HB LYS 71 4.967 9.833 10.460 556 2HB LYS 71 3HB LYS 71 4.848 9.047 12.021 557 1HG LYS 71 2HG LYS 71 7.298 8.115 11.221 558 2HG LYS 71 3HG LYS 71 7.276 9.652 10.378 559 1HD LYS 71 2HD LYS 71 7.485 10.859 12.312 560 2HD LYS 71 3HD LYS 71 6.318 9.872 13.169 561 1HE LYS 71 2HE LYS 71 8.048 8.922 14.291 562 2HE LYS 71 3HE LYS 71 8.531 8.153 12.792 563 1HZ LYS 71 1HZ LYS 71 9.509 10.601 12.480 564 2HZ LYS 71 2HZ LYS 71 9.657 10.435 14.098 565 3HZ LYS 71 3HZ LYS 71 10.362 9.353 13.098 566 H LYS 72 HN LYS 72 2.590 7.373 11.354 567 HA LYS 72 HA LYS 72 3.312 5.598 13.439 568 1HB LYS 72 2HB LYS 72 0.654 6.502 12.307 569 2HB LYS 72 3HB LYS 72 0.789 5.407 13.668 570 1HG LYS 72 2HG LYS 72 2.136 8.145 13.582 571 2HG LYS 72 3HG LYS 72 0.552 7.875 14.281 572 1HD LYS 72 2HD LYS 72 2.296 5.875 15.380 573 2HD LYS 72 3HD LYS 72 3.156 7.399 15.465 574 1HE LYS 72 2HE LYS 72 0.269 7.459 16.286 575 2HE LYS 72 3HE LYS 72 1.360 6.598 17.353 576 1HZ LYS 72 1HZ LYS 72 1.201 8.930 17.901 577 2HZ LYS 72 2HZ LYS 72 2.729 8.555 17.462 578 3HZ LYS 72 3HZ LYS 72 1.756 9.359 16.426 579 H ILE 73 HN ILE 73 2.045 5.246 10.107 580 HA ILE 73 HA ILE 73 1.541 2.456 10.418 581 HB ILE 73 HB ILE 73 1.702 4.268 8.011 582 1HG1 ILE 73 2HG1 ILE 73 -0.836 3.030 8.957 583 2HG1 ILE 73 3HG1 ILE 73 -0.170 4.317 9.942 584 1HG2 ILE 73 1HG2 ILE 73 1.977 2.364 6.853 585 2HG2 ILE 73 2HG2 ILE 73 1.474 1.335 8.216 586 3HG2 ILE 73 3HG2 ILE 73 0.247 2.120 7.192 587 1HD1 ILE 73 1HD1 ILE 73 0.080 5.656 7.724 588 2HD1 ILE 73 2HD1 ILE 73 -1.002 4.428 7.023 589 3HD1 ILE 73 3HD1 ILE 73 -1.563 5.440 8.376 590 H SER 74 HN SER 74 4.370 4.294 10.317 591 HA SER 74 HA SER 74 5.833 2.360 8.769 592 1HB SER 74 2HB SER 74 6.129 5.073 9.138 593 2HB SER 74 3HB SER 74 7.312 4.461 10.277 594 HG SER 74 HG SER 74 8.602 4.053 8.630 595 H GLN 75 HN GLN 75 5.549 3.588 12.156 596 HA GLN 75 HA GLN 75 7.568 1.905 13.139 597 1HB GLN 75 2HB GLN 75 6.140 4.072 14.105 598 2HB GLN 75 3HB GLN 75 5.462 2.760 15.048 599 1HG GLN 75 2HG GLN 75 7.304 3.363 16.366 600 2HG GLN 75 3HG GLN 75 7.976 2.047 15.424 601 1HE2 GLN 75 1HE2 GLN 75 7.281 5.494 14.830 602 2HE2 GLN 75 2HE2 GLN 75 8.854 5.938 14.256 Start of MODEL 10 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.143 -1.033 -1.585 3 1HB LYS 1 2HB LYS 1 0.313 1.012 -1.974 4 2HB LYS 1 3HB LYS 1 1.819 1.731 -2.507 5 1HG LYS 1 2HG LYS 1 0.898 0.627 -4.434 6 2HG LYS 1 3HG LYS 1 2.234 -0.373 -3.900 7 1HD LYS 1 2HD LYS 1 0.606 -1.831 -2.642 8 2HD LYS 1 3HD LYS 1 -0.713 -0.855 -3.255 9 1HE LYS 1 2HE LYS 1 -0.123 -1.453 -5.586 10 2HE LYS 1 3HE LYS 1 1.279 -2.345 -5.030 11 1HZ LYS 1 1HZ LYS 1 -0.116 -3.887 -3.950 12 2HZ LYS 1 2HZ LYS 1 -1.458 -2.988 -4.188 13 3HZ LYS 1 3HZ LYS 1 -0.718 -3.701 -5.457 14 H SER 2 HN SER 2 4.004 0.236 -2.958 15 HA SER 2 HA SER 2 6.019 0.632 -0.990 16 1HB SER 2 2HB SER 2 5.911 -0.227 -3.692 17 2HB SER 2 3HB SER 2 6.845 1.255 -3.723 18 HG SER 2 HG SER 2 7.447 -1.241 -2.529 19 HA PRO 3 HA PRO 3 6.156 4.978 -1.142 20 1HB PRO 3 2HB PRO 3 8.810 5.557 -0.848 21 2HB PRO 3 3HB PRO 3 7.776 5.098 0.490 22 1HG PRO 3 2HG PRO 3 9.831 3.491 -0.902 23 2HG PRO 3 3HG PRO 3 9.103 3.219 0.668 24 1HD PRO 3 2HD PRO 3 8.500 1.828 -1.766 25 2HD PRO 3 3HD PRO 3 7.692 1.637 -0.223 26 H GLU 4 HN GLU 4 8.542 3.532 -3.274 27 HA GLU 4 HA GLU 4 8.953 5.753 -4.824 28 1HB GLU 4 2HB GLU 4 9.747 3.059 -4.831 29 2HB GLU 4 3HB GLU 4 8.932 3.250 -6.371 30 1HG GLU 4 2HG GLU 4 10.685 5.542 -5.764 31 2HG GLU 4 3HG GLU 4 11.569 4.029 -5.774 32 H GLU 5 HN GLU 5 6.298 3.361 -4.824 33 HA GLU 5 HA GLU 5 5.259 4.155 -7.307 34 1HB GLU 5 2HB GLU 5 4.594 2.280 -5.169 35 2HB GLU 5 3HB GLU 5 3.147 3.084 -5.746 36 1HG GLU 5 2HG GLU 5 4.451 2.522 -8.130 37 2HG GLU 5 3HG GLU 5 4.921 1.151 -7.146 38 H LEU 6 HN LEU 6 4.844 5.240 -3.930 39 HA LEU 6 HA LEU 6 2.504 6.700 -4.256 40 1HB LEU 6 2HB LEU 6 4.787 6.666 -2.354 41 2HB LEU 6 3HB LEU 6 3.764 8.089 -2.348 42 HG LEU 6 HG LEU 6 2.613 5.308 -2.106 43 1HD1 LEU 6 1HD1 LEU 6 3.287 5.066 -0.004 44 2HD1 LEU 6 2HD1 LEU 6 4.386 6.443 -0.262 45 3HD1 LEU 6 3HD1 LEU 6 2.764 6.714 0.419 46 1HD2 LEU 6 1HD2 LEU 6 0.646 6.318 -1.426 47 2HD2 LEU 6 2HD2 LEU 6 1.458 7.829 -0.950 48 3HD2 LEU 6 3HD2 LEU 6 1.238 7.441 -2.673 49 H LYS 7 HN LYS 7 5.964 7.586 -4.791 50 HA LYS 7 HA LYS 7 5.400 10.269 -5.434 51 1HB LYS 7 2HB LYS 7 7.638 8.908 -4.818 52 2HB LYS 7 3HB LYS 7 7.808 8.923 -6.561 53 1HG LYS 7 2HG LYS 7 7.162 11.456 -4.999 54 2HG LYS 7 3HG LYS 7 8.814 10.925 -5.246 55 1HD LYS 7 2HD LYS 7 7.057 11.029 -7.682 56 2HD LYS 7 3HD LYS 7 7.517 12.568 -6.982 57 1HE LYS 7 2HE LYS 7 9.830 12.203 -7.351 58 2HE LYS 7 3HE LYS 7 9.647 10.463 -7.437 59 1HZ LYS 7 1HZ LYS 7 8.096 11.592 -9.438 60 2HZ LYS 7 2HZ LYS 7 9.573 12.285 -9.519 61 3HZ LYS 7 3HZ LYS 7 9.428 10.661 -9.602 62 H GLY 8 HN GLY 8 6.027 7.330 -7.470 63 1HA GLY 8 1HA GLY 8 5.771 8.507 -9.957 64 2HA GLY 8 2HA GLY 8 5.398 6.839 -9.570 65 H ILE 9 HN ILE 9 3.187 6.780 -8.053 66 HA ILE 9 HA ILE 9 1.129 7.314 -9.805 67 HB ILE 9 HB ILE 9 1.346 6.632 -6.913 68 1HG1 ILE 9 2HG1 ILE 9 0.093 5.317 -9.338 69 2HG1 ILE 9 3HG1 ILE 9 1.592 4.864 -8.551 70 1HG2 ILE 9 1HG2 ILE 9 -1.092 6.610 -6.668 71 2HG2 ILE 9 2HG2 ILE 9 -0.472 8.257 -6.937 72 3HG2 ILE 9 3HG2 ILE 9 -1.262 7.375 -8.267 73 1HD1 ILE 9 1HD1 ILE 9 -1.207 4.727 -7.343 74 2HD1 ILE 9 2HD1 ILE 9 -0.163 3.356 -7.786 75 3HD1 ILE 9 3HD1 ILE 9 0.287 4.415 -6.428 76 H PHE 10 HN PHE 10 2.288 9.226 -6.957 77 HA PHE 10 HA PHE 10 0.390 11.185 -6.979 78 1HB PHE 10 2HB PHE 10 2.031 11.210 -5.239 79 2HB PHE 10 3HB PHE 10 3.353 10.942 -6.357 80 HD1 PHE 10 HD1 PHE 10 1.252 13.435 -4.746 81 HD2 PHE 10 HD2 PHE 10 4.302 12.821 -7.632 82 HE1 PHE 10 HE1 PHE 10 1.778 15.889 -4.712 83 HE2 PHE 10 HE2 PHE 10 4.829 15.275 -7.598 84 HZ PHE 10 HZ PHE 10 3.560 16.779 -6.139 85 H GLU 11 HN GLU 11 3.564 11.213 -8.759 86 HA GLU 11 HA GLU 11 3.072 13.632 -10.009 87 1HB GLU 11 2HB GLU 11 5.168 11.779 -9.881 88 2HB GLU 11 3HB GLU 11 4.726 11.764 -11.577 89 1HG GLU 11 2HG GLU 11 4.678 14.494 -10.944 90 2HG GLU 11 3HG GLU 11 6.026 13.897 -9.996 91 H LYS 12 HN LYS 12 2.355 10.233 -10.951 92 HA LYS 12 HA LYS 12 1.600 10.703 -13.570 93 1HB LYS 12 2HB LYS 12 1.893 8.511 -12.086 94 2HB LYS 12 3HB LYS 12 0.154 8.656 -11.936 95 1HG LYS 12 2HG LYS 12 0.872 9.135 -14.701 96 2HG LYS 12 3HG LYS 12 1.662 7.662 -14.173 97 1HD LYS 12 2HD LYS 12 -0.632 6.950 -13.200 98 2HD LYS 12 3HD LYS 12 -1.318 8.295 -14.090 99 1HE LYS 12 2HE LYS 12 -0.684 7.363 -16.214 100 2HE LYS 12 3HE LYS 12 0.437 6.234 -15.480 101 1HZ LYS 12 1HZ LYS 12 -1.300 4.871 -15.699 102 2HZ LYS 12 2HZ LYS 12 -1.810 5.533 -14.296 103 3HZ LYS 12 3HZ LYS 12 -2.419 6.059 -15.716 104 H TYR 13 HN TYR 13 0.078 11.606 -10.548 105 HA TYR 13 HA TYR 13 -2.474 12.071 -11.882 106 1HB TYR 13 2HB TYR 13 -1.289 11.843 -9.111 107 2HB TYR 13 3HB TYR 13 -2.619 12.976 -9.250 108 HD1 TYR 13 HD1 TYR 13 -4.802 12.199 -8.999 109 HD2 TYR 13 HD2 TYR 13 -1.736 9.440 -10.136 110 HE1 TYR 13 HE1 TYR 13 -6.453 10.275 -8.809 111 HE2 TYR 13 HE2 TYR 13 -3.397 7.525 -9.942 112 HH TYR 13 HH TYR 13 -6.717 8.124 -8.841 113 H ALA 14 HN ALA 14 0.184 13.820 -10.162 114 HA ALA 14 HA ALA 14 -1.002 16.350 -10.325 115 1HB ALA 14 1HB ALA 14 1.004 15.467 -8.925 116 2HB ALA 14 2HB ALA 14 1.981 15.835 -10.367 117 3HB ALA 14 3HB ALA 14 1.080 17.133 -9.547 118 H ALA 15 HN ALA 15 0.465 14.268 -12.715 119 HA ALA 15 HA ALA 15 1.139 16.442 -14.487 120 1HB ALA 15 1HB ALA 15 0.988 13.578 -15.367 121 2HB ALA 15 2HB ALA 15 2.206 14.822 -15.737 122 3HB ALA 15 3HB ALA 15 2.210 14.016 -14.150 123 H LYS 16 HN LYS 16 -1.609 14.414 -13.688 124 HA LYS 16 HA LYS 16 -2.930 14.342 -16.110 125 1HB LYS 16 2HB LYS 16 -3.430 13.592 -13.469 126 2HB LYS 16 3HB LYS 16 -4.706 14.737 -13.827 127 1HG LYS 16 2HG LYS 16 -5.054 13.431 -16.042 128 2HG LYS 16 3HG LYS 16 -4.014 12.196 -15.359 129 1HD LYS 16 2HD LYS 16 -5.571 11.566 -13.742 130 2HD LYS 16 3HD LYS 16 -6.267 13.170 -13.624 131 1HE LYS 16 2HE LYS 16 -7.985 12.148 -14.792 132 2HE LYS 16 3HE LYS 16 -7.013 12.647 -16.162 133 1HZ LYS 16 1HZ LYS 16 -6.044 10.213 -15.244 134 2HZ LYS 16 2HZ LYS 16 -7.664 10.073 -15.394 135 3HZ LYS 16 3HZ LYS 16 -6.764 10.538 -16.674 136 H GLU 17 HN GLU 17 -3.521 16.720 -13.419 137 HA GLU 17 HA GLU 17 -4.195 18.615 -15.534 138 1HB GLU 17 2HB GLU 17 -5.469 18.167 -12.813 139 2HB GLU 17 3HB GLU 17 -5.668 19.682 -13.671 140 1HG GLU 17 2HG GLU 17 -6.190 17.722 -15.632 141 2HG GLU 17 3HG GLU 17 -6.928 17.071 -14.182 142 H GLY 18 HN GLY 18 -3.068 20.539 -15.544 143 1HA GLY 18 1HA GLY 18 -1.673 22.178 -14.884 144 2HA GLY 18 2HA GLY 18 -2.032 21.768 -13.218 145 H ASP 19 HN ASP 19 0.475 22.496 -13.417 146 HA ASP 19 HA ASP 19 2.305 20.739 -14.438 147 1HB ASP 19 2HB ASP 19 2.472 23.131 -13.222 148 2HB ASP 19 3HB ASP 19 2.857 22.148 -11.823 149 HA PRO 20 HA PRO 20 2.024 17.450 -11.535 150 1HB PRO 20 2HB PRO 20 4.299 16.072 -12.164 151 2HB PRO 20 3HB PRO 20 2.807 15.924 -13.071 152 1HG PRO 20 2HG PRO 20 5.285 17.361 -13.801 153 2HG PRO 20 3HG PRO 20 3.969 16.846 -14.838 154 1HD PRO 20 2HD PRO 20 4.472 19.509 -13.898 155 2HD PRO 20 3HD PRO 20 3.093 18.972 -14.838 156 H ASN 21 HN ASN 21 4.108 19.959 -11.311 157 HA ASN 21 HA ASN 21 5.504 18.829 -9.058 158 1HB ASN 21 2HB ASN 21 5.693 21.452 -10.601 159 2HB ASN 21 3HB ASN 21 6.515 21.265 -9.065 160 1HD2 ASN 21 1HD2 ASN 21 5.996 19.506 -12.118 161 2HD2 ASN 21 2HD2 ASN 21 7.616 18.928 -12.318 162 H GLN 22 HN GLN 22 2.467 19.906 -9.507 163 HA GLN 22 HA GLN 22 2.279 20.894 -6.835 164 1HB GLN 22 2HB GLN 22 0.748 22.848 -7.934 165 2HB GLN 22 3HB GLN 22 2.433 23.077 -7.511 166 1HG GLN 22 2HG GLN 22 3.081 22.404 -9.857 167 2HG GLN 22 3HG GLN 22 1.382 22.273 -10.265 168 1HE2 GLN 22 1HE2 GLN 22 4.056 24.353 -9.682 169 2HE2 GLN 22 2HE2 GLN 22 3.309 25.870 -10.061 170 H LEU 23 HN LEU 23 0.454 20.024 -5.924 171 HA LEU 23 HA LEU 23 -1.401 18.714 -7.728 172 1HB LEU 23 2HB LEU 23 -0.905 18.593 -4.760 173 2HB LEU 23 3HB LEU 23 -2.305 17.844 -5.503 174 HG LEU 23 HG LEU 23 -0.099 16.484 -5.029 175 1HD1 LEU 23 1HD1 LEU 23 -0.814 15.482 -7.563 176 2HD1 LEU 23 2HD1 LEU 23 -1.422 14.973 -5.969 177 3HD1 LEU 23 3HD1 LEU 23 -2.282 16.230 -6.889 178 1HD2 LEU 23 1HD2 LEU 23 1.274 16.316 -7.137 179 2HD2 LEU 23 2HD2 LEU 23 0.501 17.828 -7.672 180 3HD2 LEU 23 3HD2 LEU 23 1.491 17.809 -6.193 181 H SER 24 HN SER 24 -3.743 18.996 -7.517 182 HA SER 24 HA SER 24 -4.388 21.619 -6.419 183 1HB SER 24 2HB SER 24 -5.350 20.375 -9.031 184 2HB SER 24 3HB SER 24 -6.077 21.803 -8.319 185 HG SER 24 HG SER 24 -3.699 22.620 -8.325 186 H LYS 25 HN LYS 25 -6.849 21.836 -5.993 187 HA LYS 25 HA LYS 25 -7.666 19.829 -4.285 188 1HB LYS 25 2HB LYS 25 -8.426 22.195 -4.258 189 2HB LYS 25 3HB LYS 25 -9.381 21.895 -5.695 190 1HG LYS 25 2HG LYS 25 -10.439 19.921 -4.312 191 2HG LYS 25 3HG LYS 25 -9.752 20.726 -2.916 192 1HD LYS 25 2HD LYS 25 -11.734 21.884 -2.918 193 2HD LYS 25 3HD LYS 25 -10.937 22.871 -4.127 194 1HE LYS 25 2HE LYS 25 -12.227 20.410 -5.208 195 2HE LYS 25 3HE LYS 25 -13.345 21.563 -4.506 196 1HZ LYS 25 1HZ LYS 25 -12.916 22.000 -6.829 197 2HZ LYS 25 2HZ LYS 25 -12.418 23.256 -5.913 198 3HZ LYS 25 3HZ LYS 25 -11.324 22.217 -6.537 199 H GLU 26 HN GLU 26 -8.971 20.592 -7.595 200 HA GLU 26 HA GLU 26 -10.613 18.407 -7.725 201 1HB GLU 26 2HB GLU 26 -9.714 20.494 -9.470 202 2HB GLU 26 3HB GLU 26 -9.542 18.989 -10.351 203 1HG GLU 26 2HG GLU 26 -12.030 18.688 -9.107 204 2HG GLU 26 3HG GLU 26 -12.002 20.396 -9.497 205 H GLU 27 HN GLU 27 -7.124 18.754 -8.515 206 HA GLU 27 HA GLU 27 -6.855 16.293 -9.765 207 1HB GLU 27 2HB GLU 27 -5.113 18.422 -8.745 208 2HB GLU 27 3HB GLU 27 -4.389 16.843 -8.517 209 1HG GLU 27 2HG GLU 27 -5.546 16.825 -11.137 210 2HG GLU 27 3HG GLU 27 -4.712 18.358 -10.978 211 H LEU 28 HN LEU 28 -6.097 17.294 -6.349 212 HA LEU 28 HA LEU 28 -5.348 14.808 -5.432 213 1HB LEU 28 2HB LEU 28 -5.345 17.216 -4.383 214 2HB LEU 28 3HB LEU 28 -6.874 16.707 -3.696 215 HG LEU 28 HG LEU 28 -5.907 15.114 -2.327 216 1HD1 LEU 28 1HD1 LEU 28 -4.737 13.741 -3.832 217 2HD1 LEU 28 2HD1 LEU 28 -3.617 15.046 -4.293 218 3HD1 LEU 28 3HD1 LEU 28 -3.510 14.310 -2.676 219 1HD2 LEU 28 1HD2 LEU 28 -5.248 17.321 -1.578 220 2HD2 LEU 28 2HD2 LEU 28 -3.950 16.152 -1.237 221 3HD2 LEU 28 3HD2 LEU 28 -3.799 17.274 -2.611 222 H LYS 29 HN LYS 29 -8.631 16.302 -5.649 223 HA LYS 29 HA LYS 29 -10.127 14.508 -4.325 224 1HB LYS 29 2HB LYS 29 -11.010 16.505 -5.415 225 2HB LYS 29 3HB LYS 29 -10.740 15.803 -6.998 226 1HG LYS 29 2HG LYS 29 -12.379 14.051 -6.599 227 2HG LYS 29 3HG LYS 29 -12.496 14.459 -4.898 228 1HD LYS 29 2HD LYS 29 -14.220 15.838 -5.418 229 2HD LYS 29 3HD LYS 29 -13.070 16.885 -6.226 230 1HE LYS 29 2HE LYS 29 -14.234 16.462 -8.137 231 2HE LYS 29 3HE LYS 29 -13.479 14.881 -8.126 232 1HZ LYS 29 1HZ LYS 29 -16.117 15.349 -7.952 233 2HZ LYS 29 2HZ LYS 29 -15.386 13.942 -7.560 234 3HZ LYS 29 3HZ LYS 29 -15.728 15.037 -6.397 235 H LEU 30 HN LEU 30 -9.076 14.160 -7.786 236 HA LEU 30 HA LEU 30 -10.184 11.675 -8.206 237 1HB LEU 30 2HB LEU 30 -7.635 12.819 -9.357 238 2HB LEU 30 3HB LEU 30 -8.537 11.466 -10.011 239 HG LEU 30 HG LEU 30 -9.246 14.387 -9.995 240 1HD1 LEU 30 1HD1 LEU 30 -9.035 14.271 -12.227 241 2HD1 LEU 30 2HD1 LEU 30 -8.097 12.798 -11.881 242 3HD1 LEU 30 3HD1 LEU 30 -9.816 12.675 -12.328 243 1HD2 LEU 30 1HD2 LEU 30 -11.199 13.237 -9.046 244 2HD2 LEU 30 2HD2 LEU 30 -11.528 13.883 -10.671 245 3HD2 LEU 30 3HD2 LEU 30 -11.231 12.142 -10.448 246 H LEU 31 HN LEU 31 -6.791 12.454 -7.157 247 HA LEU 31 HA LEU 31 -5.936 9.874 -6.820 248 1HB LEU 31 2HB LEU 31 -4.751 12.187 -6.638 249 2HB LEU 31 3HB LEU 31 -5.131 12.060 -4.932 250 HG LEU 31 HG LEU 31 -3.981 9.581 -5.627 251 1HD1 LEU 31 1HD1 LEU 31 -2.725 9.977 -7.428 252 2HD1 LEU 31 2HD1 LEU 31 -2.949 11.738 -7.310 253 3HD1 LEU 31 3HD1 LEU 31 -1.687 10.936 -6.345 254 1HD2 LEU 31 1HD2 LEU 31 -2.595 10.012 -3.870 255 2HD2 LEU 31 2HD2 LEU 31 -2.321 11.705 -4.348 256 3HD2 LEU 31 3HD2 LEU 31 -3.846 11.239 -3.557 257 H LEU 32 HN LEU 32 -7.177 12.029 -4.163 258 HA LEU 32 HA LEU 32 -7.330 10.100 -2.234 259 1HB LEU 32 2HB LEU 32 -9.221 12.422 -2.629 260 2HB LEU 32 3HB LEU 32 -8.932 11.557 -1.133 261 HG LEU 32 HG LEU 32 -6.772 13.083 -2.605 262 1HD1 LEU 32 1HD1 LEU 32 -8.362 14.741 -2.066 263 2HD1 LEU 32 2HD1 LEU 32 -8.696 14.020 -0.473 264 3HD1 LEU 32 3HD1 LEU 32 -7.132 14.812 -0.782 265 1HD2 LEU 32 1HD2 LEU 32 -5.422 12.073 -1.161 266 2HD2 LEU 32 2HD2 LEU 32 -6.239 12.967 0.143 267 3HD2 LEU 32 3HD2 LEU 32 -6.795 11.336 -0.301 268 H GLN 33 HN GLN 33 -9.222 10.443 -5.146 269 HA GLN 33 HA GLN 33 -11.507 9.113 -4.218 270 1HB GLN 33 2HB GLN 33 -10.815 10.494 -6.507 271 2HB GLN 33 3HB GLN 33 -10.836 8.846 -7.103 272 1HG GLN 33 2HG GLN 33 -13.144 8.802 -5.655 273 2HG GLN 33 3HG GLN 33 -13.094 10.512 -6.034 274 1HE2 GLN 33 1HE2 GLN 33 -12.800 11.139 -8.282 275 2HE2 GLN 33 2HE2 GLN 33 -13.487 10.172 -9.545 276 H THR 34 HN THR 34 -8.543 8.047 -6.005 277 HA THR 34 HA THR 34 -9.392 5.267 -5.603 278 HB THR 34 HB THR 34 -7.847 6.801 -7.643 279 HG1 THR 34 HG1 THR 34 -8.756 4.769 -8.753 280 1HG2 THR 34 1HG2 THR 34 -6.080 5.250 -6.591 281 2HG2 THR 34 2HG2 THR 34 -7.139 3.889 -7.033 282 3HG2 THR 34 3HG2 THR 34 -6.445 4.926 -8.303 283 H GLU 35 HN GLU 35 -6.489 7.408 -5.242 284 HA GLU 35 HA GLU 35 -4.859 5.647 -4.038 285 1HB GLU 35 2HB GLU 35 -4.067 7.849 -4.585 286 2HB GLU 35 3HB GLU 35 -5.255 8.621 -3.553 287 1HG GLU 35 2HG GLU 35 -3.840 8.520 -1.787 288 2HG GLU 35 3HG GLU 35 -3.745 6.776 -1.926 289 H PHE 36 HN PHE 36 -7.190 7.857 -2.323 290 HA PHE 36 HA PHE 36 -7.611 5.786 -0.354 291 1HB PHE 36 2HB PHE 36 -6.471 8.591 0.190 292 2HB PHE 36 3HB PHE 36 -7.121 7.574 1.461 293 HD1 PHE 36 HD1 PHE 36 -4.186 8.727 0.469 294 HD2 PHE 36 HD2 PHE 36 -6.063 4.945 0.894 295 HE1 PHE 36 HE1 PHE 36 -1.939 7.644 0.750 296 HE2 PHE 36 HE2 PHE 36 -3.816 3.862 1.176 297 HZ PHE 36 HZ PHE 36 -1.782 5.224 1.100 298 HA PRO 37 HA PRO 37 -11.341 8.099 -1.244 299 1HB PRO 37 2HB PRO 37 -13.030 5.953 -1.340 300 2HB PRO 37 3HB PRO 37 -12.222 6.601 -2.754 301 1HG PRO 37 2HG PRO 37 -11.615 4.136 -1.238 302 2HG PRO 37 3HG PRO 37 -11.119 4.578 -2.860 303 1HD PRO 37 2HD PRO 37 -9.504 4.653 -0.491 304 2HD PRO 37 3HD PRO 37 -9.045 5.204 -2.090 305 H SER 38 HN SER 38 -10.727 5.636 1.130 306 HA SER 38 HA SER 38 -12.910 6.091 2.715 307 1HB SER 38 2HB SER 38 -10.737 4.445 2.825 308 2HB SER 38 3HB SER 38 -10.302 5.578 4.089 309 HG SER 38 HG SER 38 -12.830 5.082 4.606 310 H LEU 39 HN LEU 39 -9.991 8.013 2.181 311 HA LEU 39 HA LEU 39 -10.161 9.525 4.571 312 1HB LEU 39 2HB LEU 39 -8.410 9.241 2.371 313 2HB LEU 39 3HB LEU 39 -8.876 10.929 2.419 314 HG LEU 39 HG LEU 39 -7.598 9.338 4.657 315 1HD1 LEU 39 1HD1 LEU 39 -6.022 9.917 2.921 316 2HD1 LEU 39 2HD1 LEU 39 -6.567 11.611 2.939 317 3HD1 LEU 39 3HD1 LEU 39 -5.728 10.931 4.353 318 1HD2 LEU 39 1HD2 LEU 39 -7.517 11.518 5.873 319 2HD2 LEU 39 2HD2 LEU 39 -8.613 12.191 4.642 320 3HD2 LEU 39 3HD2 LEU 39 -9.154 10.847 5.677 321 H LEU 40 HN LEU 40 -11.955 9.455 1.591 322 HA LEU 40 HA LEU 40 -12.728 12.199 1.647 323 1HB LEU 40 2HB LEU 40 -13.900 9.821 0.199 324 2HB LEU 40 3HB LEU 40 -14.341 11.495 -0.075 325 HG LEU 40 HG LEU 40 -11.554 10.382 -0.493 326 1HD1 LEU 40 1HD1 LEU 40 -13.792 10.832 -2.482 327 2HD1 LEU 40 2HD1 LEU 40 -12.091 10.549 -2.923 328 3HD1 LEU 40 3HD1 LEU 40 -13.007 9.292 -2.057 329 1HD2 LEU 40 1HD2 LEU 40 -10.924 12.504 -0.620 330 2HD2 LEU 40 2HD2 LEU 40 -11.994 12.705 -2.028 331 3HD2 LEU 40 3HD2 LEU 40 -12.599 13.062 -0.392 332 H LYS 41 HN LYS 41 -13.751 9.207 3.208 333 HA LYS 41 HA LYS 41 -16.365 10.114 3.847 334 1HB LYS 41 2HB LYS 41 -16.640 8.067 4.826 335 2HB LYS 41 3HB LYS 41 -15.323 7.696 3.733 336 1HG LYS 41 2HG LYS 41 -14.378 6.850 5.663 337 2HG LYS 41 3HG LYS 41 -13.837 8.507 5.839 338 1HD LYS 41 2HD LYS 41 -14.997 8.689 7.776 339 2HD LYS 41 3HD LYS 41 -16.494 8.391 6.917 340 1HE LYS 41 2HE LYS 41 -15.639 5.835 7.045 341 2HE LYS 41 3HE LYS 41 -14.750 6.449 8.425 342 1HZ LYS 41 1HZ LYS 41 -17.410 5.787 8.324 343 2HZ LYS 41 2HZ LYS 41 -16.607 6.457 9.578 344 3HZ LYS 41 3HZ LYS 41 -17.374 7.410 8.497 345 H GLY 42 HN GLY 42 -13.121 10.372 5.307 346 1HA GLY 42 1HA GLY 42 -13.558 10.979 7.889 347 2HA GLY 42 2HA GLY 42 -12.397 11.825 6.886 348 H MET 43 HN MET 43 -13.636 13.149 9.025 349 HA MET 43 HA MET 43 -15.934 14.524 8.118 350 1HB MET 43 2HB MET 43 -13.954 15.101 10.393 351 2HB MET 43 3HB MET 43 -15.502 15.902 10.210 352 1HG MET 43 2HG MET 43 -16.734 13.942 10.724 353 2HG MET 43 3HG MET 43 -15.414 12.874 10.290 354 1HE MET 43 1HE MET 43 -17.075 13.063 13.596 355 2HE MET 43 2HE MET 43 -16.571 11.925 12.324 356 3HE MET 43 3HE MET 43 -15.698 11.970 13.875 357 H SER 44 HN SER 44 -12.739 14.695 7.135 358 HA SER 44 HA SER 44 -12.701 17.570 6.918 359 1HB SER 44 2HB SER 44 -10.432 16.893 5.683 360 2HB SER 44 3HB SER 44 -10.546 16.907 7.432 361 HG SER 44 HG SER 44 -11.160 14.524 5.932 362 H THR 45 HN THR 45 -14.161 18.210 5.316 363 HA THR 45 HA THR 45 -14.663 16.716 2.986 364 HB THR 45 HB THR 45 -15.854 18.826 2.324 365 HG1 THR 45 HG1 THR 45 -14.993 20.653 3.227 366 1HG2 THR 45 1HG2 THR 45 -16.075 17.765 5.150 367 2HG2 THR 45 2HG2 THR 45 -16.957 19.255 4.736 368 3HG2 THR 45 3HG2 THR 45 -17.289 17.749 3.848 369 H LEU 46 HN LEU 46 -14.367 17.732 0.714 370 HA LEU 46 HA LEU 46 -11.704 17.579 0.077 371 1HB LEU 46 2HB LEU 46 -13.944 17.528 -1.317 372 2HB LEU 46 3HB LEU 46 -13.561 19.214 -1.597 373 HG LEU 46 HG LEU 46 -11.558 18.699 -2.741 374 1HD1 LEU 46 1HD1 LEU 46 -11.771 16.066 -1.351 375 2HD1 LEU 46 2HD1 LEU 46 -10.969 16.121 -2.940 376 3HD1 LEU 46 3HD1 LEU 46 -10.363 17.126 -1.601 377 1HD2 LEU 46 1HD2 LEU 46 -12.566 18.031 -4.609 378 2HD2 LEU 46 2HD2 LEU 46 -12.906 16.416 -3.943 379 3HD2 LEU 46 3HD2 LEU 46 -14.022 17.764 -3.621 380 H ASP 47 HN ASP 47 -13.689 20.630 0.072 381 HA ASP 47 HA ASP 47 -11.738 22.384 -0.333 382 1HB ASP 47 2HB ASP 47 -14.343 22.389 1.009 383 2HB ASP 47 3HB ASP 47 -13.265 23.545 1.765 384 H GLU 48 HN GLU 48 -12.809 21.073 2.895 385 HA GLU 48 HA GLU 48 -11.027 22.444 4.445 386 1HB GLU 48 2HB GLU 48 -12.826 20.179 4.727 387 2HB GLU 48 3HB GLU 48 -11.347 19.859 5.610 388 1HG GLU 48 2HG GLU 48 -11.709 22.417 6.405 389 2HG GLU 48 3HG GLU 48 -13.380 22.041 6.033 390 H LEU 49 HN LEU 49 -10.656 19.241 2.799 391 HA LEU 49 HA LEU 49 -8.138 18.654 3.830 392 1HB LEU 49 2HB LEU 49 -9.970 17.373 2.315 393 2HB LEU 49 3HB LEU 49 -8.788 17.768 1.083 394 HG LEU 49 HG LEU 49 -7.090 16.741 2.847 395 1HD1 LEU 49 1HD1 LEU 49 -8.511 14.631 3.728 396 2HD1 LEU 49 2HD1 LEU 49 -8.218 16.097 4.695 397 3HD1 LEU 49 3HD1 LEU 49 -9.759 15.897 3.826 398 1HD2 LEU 49 1HD2 LEU 49 -8.224 15.913 0.470 399 2HD2 LEU 49 2HD2 LEU 49 -6.861 15.138 1.313 400 3HD2 LEU 49 3HD2 LEU 49 -8.518 14.537 1.561 401 H PHE 50 HN PHE 50 -9.164 20.462 0.877 402 HA PHE 50 HA PHE 50 -6.619 20.833 -0.163 403 1HB PHE 50 2HB PHE 50 -8.962 21.284 -1.166 404 2HB PHE 50 3HB PHE 50 -9.048 22.722 -0.168 405 HD1 PHE 50 HD1 PHE 50 -6.530 21.203 -2.484 406 HD2 PHE 50 HD2 PHE 50 -8.664 24.676 -1.307 407 HE1 PHE 50 HE1 PHE 50 -5.379 22.520 -4.284 408 HE2 PHE 50 HE2 PHE 50 -7.513 25.994 -3.107 409 HZ PHE 50 HZ PHE 50 -5.884 24.900 -4.574 410 H GLU 51 HN GLU 51 -8.595 22.975 2.007 411 HA GLU 51 HA GLU 51 -6.632 24.938 2.171 412 1HB GLU 51 2HB GLU 51 -9.222 24.327 3.428 413 2HB GLU 51 3HB GLU 51 -8.121 25.110 4.544 414 1HG GLU 51 2HG GLU 51 -7.663 26.816 2.627 415 2HG GLU 51 3HG GLU 51 -9.075 26.136 1.842 416 H GLU 52 HN GLU 52 -7.444 22.105 4.268 417 HA GLU 52 HA GLU 52 -5.614 22.697 6.255 418 1HB GLU 52 2HB GLU 52 -7.559 20.944 6.158 419 2HB GLU 52 3HB GLU 52 -6.363 19.864 5.468 420 1HG GLU 52 2HG GLU 52 -4.909 20.133 7.443 421 2HG GLU 52 3HG GLU 52 -5.986 21.340 8.116 422 H LEU 53 HN LEU 53 -5.347 20.393 3.450 423 HA LEU 53 HA LEU 53 -2.713 19.670 3.921 424 1HB LEU 53 2HB LEU 53 -4.200 19.827 1.296 425 2HB LEU 53 3HB LEU 53 -2.721 18.933 1.587 426 HG LEU 53 HG LEU 53 -5.148 18.335 3.251 427 1HD1 LEU 53 1HD1 LEU 53 -5.366 16.468 1.293 428 2HD1 LEU 53 2HD1 LEU 53 -6.332 17.961 1.376 429 3HD1 LEU 53 3HD1 LEU 53 -4.884 17.895 0.343 430 1HD2 LEU 53 1HD2 LEU 53 -2.629 17.373 3.352 431 2HD2 LEU 53 2HD2 LEU 53 -4.068 16.443 3.834 432 3HD2 LEU 53 3HD2 LEU 53 -3.359 16.213 2.217 433 H ASP 54 HN ASP 54 -4.073 22.273 1.791 434 HA ASP 54 HA ASP 54 -1.501 23.173 1.094 435 1HB ASP 54 2HB ASP 54 -3.848 23.498 -0.078 436 2HB ASP 54 3HB ASP 54 -4.012 24.877 0.991 437 H LYS 55 HN LYS 55 -0.310 23.750 3.000 438 HA LYS 55 HA LYS 55 -1.541 25.846 4.650 439 1HB LYS 55 2HB LYS 55 -0.050 23.406 5.312 440 2HB LYS 55 3HB LYS 55 0.587 24.834 6.101 441 1HG LYS 55 2HG LYS 55 -2.061 25.288 6.513 442 2HG LYS 55 3HG LYS 55 -2.108 23.540 6.398 443 1HD LYS 55 2HD LYS 55 -0.003 23.725 8.067 444 2HD LYS 55 3HD LYS 55 -0.728 25.275 8.444 445 1HE LYS 55 2HE LYS 55 -2.852 24.206 9.057 446 2HE LYS 55 3HE LYS 55 -2.282 22.646 8.496 447 1HZ LYS 55 1HZ LYS 55 -2.118 23.179 10.953 448 2HZ LYS 55 2HZ LYS 55 -0.815 22.492 10.247 449 3HZ LYS 55 3HZ LYS 55 -0.820 24.093 10.570 450 H ASN 56 HN ASN 56 0.607 25.282 2.131 451 HA ASN 56 HA ASN 56 2.619 27.094 3.045 452 1HB ASN 56 2HB ASN 56 2.108 25.685 0.378 453 2HB ASN 56 3HB ASN 56 3.453 26.783 0.614 454 1HD2 ASN 56 1HD2 ASN 56 4.682 26.348 2.752 455 2HD2 ASN 56 2HD2 ASN 56 5.142 24.703 3.044 456 H GLY 57 HN GLY 57 -0.480 27.627 2.327 457 1HA GLY 57 1HA GLY 57 -1.713 29.154 1.177 458 2HA GLY 57 2HA GLY 57 -0.522 30.247 1.853 459 H ASP 58 HN ASP 58 -0.690 27.835 -0.874 460 HA ASP 58 HA ASP 58 0.340 29.961 -2.571 461 1HB ASP 58 2HB ASP 58 1.160 27.021 -2.691 462 2HB ASP 58 3HB ASP 58 1.729 28.281 -3.768 463 H GLY 59 HN GLY 59 -1.146 26.651 -2.334 464 1HA GLY 59 1HA GLY 59 -3.373 26.408 -3.290 465 2HA GLY 59 2HA GLY 59 -2.820 27.319 -4.681 466 H GLU 60 HN GLU 60 -0.436 25.190 -3.267 467 HA GLU 60 HA GLU 60 -1.127 23.143 -5.217 468 1HB GLU 60 2HB GLU 60 1.703 24.167 -4.720 469 2HB GLU 60 3HB GLU 60 1.235 22.928 -5.868 470 1HG GLU 60 2HG GLU 60 1.204 24.698 -7.339 471 2HG GLU 60 3HG GLU 60 -0.418 24.914 -6.714 472 H VAL 61 HN VAL 61 -1.112 21.088 -4.368 473 HA VAL 61 HA VAL 61 -0.060 20.838 -1.650 474 HB VAL 61 HB VAL 61 -2.099 19.291 -3.251 475 1HG1 VAL 61 1HG1 VAL 61 -0.611 18.539 -0.770 476 2HG1 VAL 61 2HG1 VAL 61 -2.350 18.165 -0.844 477 3HG1 VAL 61 3HG1 VAL 61 -1.246 17.517 -2.082 478 1HG2 VAL 61 1HG2 VAL 61 -2.560 20.546 -0.558 479 2HG2 VAL 61 2HG2 VAL 61 -2.565 21.563 -2.020 480 3HG2 VAL 61 3HG2 VAL 61 -3.714 20.212 -1.871 481 H SER 62 HN SER 62 2.086 20.964 -3.111 482 HA SER 62 HA SER 62 2.855 18.931 -4.701 483 1HB SER 62 2HB SER 62 5.144 19.492 -3.158 484 2HB SER 62 3HB SER 62 4.669 20.275 -4.651 485 HG SER 62 HG SER 62 3.871 21.098 -1.988 486 H PHE 63 HN PHE 63 4.737 17.258 -4.002 487 HA PHE 63 HA PHE 63 3.514 15.307 -2.472 488 1HB PHE 63 2HB PHE 63 5.455 15.236 -4.220 489 2HB PHE 63 3HB PHE 63 6.518 15.768 -2.932 490 HD1 PHE 63 HD1 PHE 63 7.872 14.035 -2.259 491 HD2 PHE 63 HD2 PHE 63 3.791 13.214 -3.085 492 HE1 PHE 63 HE1 PHE 63 8.209 11.651 -1.551 493 HE2 PHE 63 HE2 PHE 63 4.128 10.829 -2.377 494 HZ PHE 63 HZ PHE 63 6.333 10.076 -1.619 495 H GLU 64 HN GLU 64 5.232 18.161 -1.479 496 HA GLU 64 HA GLU 64 6.296 17.144 0.904 497 1HB GLU 64 2HB GLU 64 5.504 20.037 0.681 498 2HB GLU 64 3HB GLU 64 6.977 19.335 1.320 499 1HG GLU 64 2HG GLU 64 6.211 19.822 -1.568 500 2HG GLU 64 3HG GLU 64 7.682 20.279 -0.732 501 H GLU 65 HN GLU 65 3.321 19.108 0.181 502 HA GLU 65 HA GLU 65 2.426 18.985 2.833 503 1HB GLU 65 2HB GLU 65 1.064 19.674 0.202 504 2HB GLU 65 3HB GLU 65 0.208 19.733 1.730 505 1HG GLU 65 2HG GLU 65 2.022 21.292 2.608 506 2HG GLU 65 3HG GLU 65 2.715 21.318 0.999 507 H PHE 66 HN PHE 66 2.323 16.767 0.129 508 HA PHE 66 HA PHE 66 -0.014 15.376 0.799 509 1HB PHE 66 2HB PHE 66 1.128 15.173 -1.382 510 2HB PHE 66 3HB PHE 66 2.632 14.711 -0.610 511 HD1 PHE 66 HD1 PHE 66 3.200 12.480 -0.647 512 HD2 PHE 66 HD2 PHE 66 -0.909 13.528 -0.802 513 HE1 PHE 66 HE1 PHE 66 2.593 10.059 -0.913 514 HE2 PHE 66 HE2 PHE 66 -1.516 11.107 -1.067 515 HZ PHE 66 HZ PHE 66 0.242 9.402 -1.119 516 H GLN 67 HN GLN 67 3.396 15.133 1.893 517 HA GLN 67 HA GLN 67 3.174 12.666 3.111 518 1HB GLN 67 2HB GLN 67 4.936 15.039 3.867 519 2HB GLN 67 3HB GLN 67 5.182 13.395 4.420 520 1HG GLN 67 2HG GLN 67 4.960 13.088 1.645 521 2HG GLN 67 3HG GLN 67 5.817 14.609 1.799 522 1HE2 GLN 67 1HE2 GLN 67 7.157 12.672 0.651 523 2HE2 GLN 67 2HE2 GLN 67 8.376 11.982 1.670 524 H VAL 68 HN VAL 68 1.651 15.650 3.869 525 HA VAL 68 HA VAL 68 1.562 15.284 6.705 526 HB VAL 68 HB VAL 68 -0.043 17.055 4.851 527 1HG1 VAL 68 1HG1 VAL 68 -1.199 17.728 6.634 528 2HG1 VAL 68 2HG1 VAL 68 -0.376 16.494 7.617 529 3HG1 VAL 68 3HG1 VAL 68 0.309 18.132 7.489 530 1HG2 VAL 68 1HG2 VAL 68 1.930 18.080 4.526 531 2HG2 VAL 68 2HG2 VAL 68 1.745 18.666 6.196 532 3HG2 VAL 68 3HG2 VAL 68 2.711 17.208 5.867 533 H LEU 69 HN LEU 69 -0.459 14.477 3.860 534 HA LEU 69 HA LEU 69 -2.672 13.644 5.453 535 1HB LEU 69 2HB LEU 69 -2.568 14.498 3.003 536 2HB LEU 69 3HB LEU 69 -2.179 12.836 2.606 537 HG LEU 69 HG LEU 69 -4.278 12.041 3.416 538 1HD1 LEU 69 1HD1 LEU 69 -4.321 14.599 4.880 539 2HD1 LEU 69 2HD1 LEU 69 -5.886 14.093 4.199 540 3HD1 LEU 69 3HD1 LEU 69 -5.004 13.011 5.305 541 1HD2 LEU 69 1HD2 LEU 69 -4.429 14.488 1.672 542 2HD2 LEU 69 2HD2 LEU 69 -4.577 12.769 1.232 543 3HD2 LEU 69 3HD2 LEU 69 -5.898 13.580 2.107 544 H VAL 70 HN VAL 70 0.310 12.195 4.194 545 HA VAL 70 HA VAL 70 -0.391 9.526 4.291 546 HB VAL 70 HB VAL 70 2.127 11.109 4.549 547 1HG1 VAL 70 1HG1 VAL 70 3.251 8.708 4.512 548 2HG1 VAL 70 2HG1 VAL 70 2.854 9.522 6.044 549 3HG1 VAL 70 3HG1 VAL 70 1.777 8.258 5.402 550 1HG2 VAL 70 1HG2 VAL 70 2.000 10.781 2.340 551 2HG2 VAL 70 2HG2 VAL 70 2.407 9.077 2.655 552 3HG2 VAL 70 3HG2 VAL 70 0.704 9.575 2.520 553 H LYS 71 HN LYS 71 -0.057 11.876 6.852 554 HA LYS 71 HA LYS 71 0.590 10.056 8.919 555 1HB LYS 71 2HB LYS 71 0.501 12.792 8.643 556 2HB LYS 71 3HB LYS 71 -0.897 12.490 9.656 557 1HG LYS 71 2HG LYS 71 0.965 10.822 10.833 558 2HG LYS 71 3HG LYS 71 1.999 12.116 10.261 559 1HD LYS 71 2HD LYS 71 0.610 13.797 11.437 560 2HD LYS 71 3HD LYS 71 -0.517 12.552 11.939 561 1HE LYS 71 2HE LYS 71 0.809 12.675 13.851 562 2HE LYS 71 3HE LYS 71 1.664 11.416 12.981 563 1HZ LYS 71 1HZ LYS 71 3.117 13.139 12.091 564 2HZ LYS 71 2HZ LYS 71 2.347 14.274 12.978 565 3HZ LYS 71 3HZ LYS 71 3.178 13.081 13.722 566 H LYS 72 HN LYS 72 -2.493 11.449 7.644 567 HA LYS 72 HA LYS 72 -4.088 10.077 9.539 568 1HB LYS 72 2HB LYS 72 -4.775 11.397 6.897 569 2HB LYS 72 3HB LYS 72 -5.954 10.790 8.041 570 1HG LYS 72 2HG LYS 72 -5.818 13.026 8.709 571 2HG LYS 72 3HG LYS 72 -4.649 12.295 9.790 572 1HD LYS 72 2HD LYS 72 -2.878 13.364 8.804 573 2HD LYS 72 3HD LYS 72 -3.475 13.067 7.184 574 1HE LYS 72 2HE LYS 72 -3.898 15.317 7.157 575 2HE LYS 72 3HE LYS 72 -5.337 14.894 8.063 576 1HZ LYS 72 1HZ LYS 72 -3.749 15.073 10.057 577 2HZ LYS 72 2HZ LYS 72 -2.820 15.965 9.053 578 3HZ LYS 72 3HZ LYS 72 -4.347 16.439 9.390 579 H ILE 73 HN ILE 73 -2.966 9.414 6.186 580 HA ILE 73 HA ILE 73 -4.528 7.037 5.984 581 HB ILE 73 HB ILE 73 -2.207 8.041 4.331 582 1HG1 ILE 73 2HG1 ILE 73 -5.025 8.231 3.388 583 2HG1 ILE 73 3HG1 ILE 73 -4.540 9.350 4.646 584 1HG2 ILE 73 1HG2 ILE 73 -3.996 6.444 2.822 585 2HG2 ILE 73 2HG2 ILE 73 -2.297 6.115 3.240 586 3HG2 ILE 73 3HG2 ILE 73 -3.603 5.540 4.304 587 1HD1 ILE 73 1HD1 ILE 73 -4.179 10.053 2.156 588 2HD1 ILE 73 2HD1 ILE 73 -2.851 10.338 3.307 589 3HD1 ILE 73 3HD1 ILE 73 -2.787 8.944 2.202 590 H SER 74 HN SER 74 -1.753 7.898 7.753 591 HA SER 74 HA SER 74 -0.552 5.295 7.506 592 1HB SER 74 2HB SER 74 0.193 7.915 8.782 593 2HB SER 74 3HB SER 74 0.907 6.463 9.454 594 HG SER 74 HG SER 74 1.649 5.919 7.265 595 H GLN 75 HN GLN 75 -2.401 7.315 9.839 596 HA GLN 75 HA GLN 75 -2.138 5.492 11.958 597 1HB GLN 75 2HB GLN 75 -3.160 8.097 11.582 598 2HB GLN 75 3HB GLN 75 -4.549 7.153 12.083 599 1HG GLN 75 2HG GLN 75 -3.723 7.648 14.183 600 2HG GLN 75 3HG GLN 75 -2.788 6.195 13.890 601 1HE2 GLN 75 1HE2 GLN 75 -2.653 9.620 12.900 602 2HE2 GLN 75 2HE2 GLN 75 -0.985 9.891 13.280 Start of MODEL 11 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.675 -0.803 -1.866 3 1HB LYS 1 2HB LYS 1 1.851 2.145 -1.303 4 2HB LYS 1 3HB LYS 1 2.676 1.478 -2.697 5 1HG LYS 1 2HG LYS 1 0.651 0.705 -3.690 6 2HG LYS 1 3HG LYS 1 -0.231 0.776 -2.178 7 1HD LYS 1 2HD LYS 1 -1.028 2.731 -3.128 8 2HD LYS 1 3HD LYS 1 0.390 3.389 -2.337 9 1HE LYS 1 2HE LYS 1 0.564 2.320 -5.178 10 2HE LYS 1 3HE LYS 1 -0.010 3.947 -4.872 11 1HZ LYS 1 1HZ LYS 1 2.592 3.109 -4.969 12 2HZ LYS 1 2HZ LYS 1 2.054 4.591 -4.543 13 3HZ LYS 1 3HZ LYS 1 2.322 3.459 -3.397 14 H SER 2 HN SER 2 3.708 1.403 0.195 15 HA SER 2 HA SER 2 6.042 0.059 -0.716 16 1HB SER 2 2HB SER 2 6.120 1.893 1.661 17 2HB SER 2 3HB SER 2 7.227 1.782 0.307 18 HG SER 2 HG SER 2 5.275 2.636 -0.991 19 HA PRO 3 HA PRO 3 6.448 -2.736 2.594 20 1HB PRO 3 2HB PRO 3 9.151 -2.913 2.960 21 2HB PRO 3 3HB PRO 3 8.303 -3.737 1.667 22 1HG PRO 3 2HG PRO 3 10.003 -1.323 1.525 23 2HG PRO 3 3HG PRO 3 9.505 -2.393 0.229 24 1HD PRO 3 2HD PRO 3 8.443 0.207 0.812 25 2HD PRO 3 3HD PRO 3 7.868 -0.910 -0.409 26 H GLU 4 HN GLU 4 8.306 0.197 3.072 27 HA GLU 4 HA GLU 4 8.650 -0.121 5.785 28 1HB GLU 4 2HB GLU 4 9.106 1.901 3.803 29 2HB GLU 4 3HB GLU 4 8.284 2.676 5.143 30 1HG GLU 4 2HG GLU 4 10.433 0.788 5.966 31 2HG GLU 4 3HG GLU 4 11.004 2.161 5.039 32 H GLU 5 HN GLU 5 5.860 0.984 3.867 33 HA GLU 5 HA GLU 5 4.499 2.181 5.992 34 1HB GLU 5 2HB GLU 5 3.911 1.361 3.198 35 2HB GLU 5 3HB GLU 5 2.510 1.378 4.249 36 1HG GLU 5 2HG GLU 5 3.997 3.752 4.849 37 2HG GLU 5 3HG GLU 5 3.949 3.627 3.101 38 H LEU 6 HN LEU 6 4.760 -1.165 4.772 39 HA LEU 6 HA LEU 6 2.551 -2.229 6.097 40 1HB LEU 6 2HB LEU 6 5.140 -3.365 5.079 41 2HB LEU 6 3HB LEU 6 3.987 -4.369 5.935 42 HG LEU 6 HG LEU 6 3.389 -2.812 3.404 43 1HD1 LEU 6 1HD1 LEU 6 3.369 -5.024 2.299 44 2HD1 LEU 6 2HD1 LEU 6 4.973 -4.577 2.931 45 3HD1 LEU 6 3HD1 LEU 6 3.970 -5.759 3.806 46 1HD2 LEU 6 1HD2 LEU 6 1.460 -4.717 3.585 47 2HD2 LEU 6 2HD2 LEU 6 1.705 -4.318 5.303 48 3HD2 LEU 6 3HD2 LEU 6 1.279 -3.036 4.144 49 H LYS 7 HN LYS 7 5.950 -1.650 7.136 50 HA LYS 7 HA LYS 7 5.635 -2.945 9.625 51 1HB LYS 7 2HB LYS 7 7.754 -2.107 8.177 52 2HB LYS 7 3HB LYS 7 7.650 -0.779 9.315 53 1HG LYS 7 2HG LYS 7 8.128 -2.123 11.160 54 2HG LYS 7 3HG LYS 7 7.402 -3.551 10.450 55 1HD LYS 7 2HD LYS 7 9.317 -4.080 9.193 56 2HD LYS 7 3HD LYS 7 9.872 -2.419 9.136 57 1HE LYS 7 2HE LYS 7 9.849 -3.068 11.896 58 2HE LYS 7 3HE LYS 7 10.475 -4.504 11.110 59 1HZ LYS 7 1HZ LYS 7 12.012 -3.006 9.910 60 2HZ LYS 7 2HZ LYS 7 11.510 -1.770 10.853 61 3HZ LYS 7 3HZ LYS 7 12.263 -3.055 11.523 62 H GLY 8 HN GLY 8 5.594 0.547 8.631 63 1HA GLY 8 1HA GLY 8 5.062 1.638 11.123 64 2HA GLY 8 2HA GLY 8 4.613 2.333 9.578 65 H ILE 9 HN ILE 9 2.678 0.836 8.484 66 HA ILE 9 HA ILE 9 0.420 1.447 9.940 67 HB ILE 9 HB ILE 9 0.979 -0.381 7.627 68 1HG1 ILE 9 2HG1 ILE 9 -0.407 2.293 7.949 69 2HG1 ILE 9 3HG1 ILE 9 1.122 1.977 7.155 70 1HG2 ILE 9 1HG2 ILE 9 -0.892 -1.521 7.999 71 2HG2 ILE 9 2HG2 ILE 9 -1.350 -0.467 9.358 72 3HG2 ILE 9 3HG2 ILE 9 -1.784 -0.012 7.692 73 1HD1 ILE 9 1HD1 ILE 9 -0.527 0.227 5.804 74 2HD1 ILE 9 2HD1 ILE 9 -1.645 1.565 6.159 75 3HD1 ILE 9 3HD1 ILE 9 -0.144 1.876 5.253 76 H PHE 10 HN PHE 10 2.208 -1.684 9.652 77 HA PHE 10 HA PHE 10 0.509 -3.269 11.078 78 1HB PHE 10 2HB PHE 10 2.431 -4.285 10.087 79 2HB PHE 10 3HB PHE 10 3.502 -3.013 10.641 80 HD1 PHE 10 HD1 PHE 10 1.947 -6.194 11.475 81 HD2 PHE 10 HD2 PHE 10 4.380 -3.040 12.936 82 HE1 PHE 10 HE1 PHE 10 2.688 -7.649 13.381 83 HE2 PHE 10 HE2 PHE 10 5.122 -4.495 14.842 84 HZ PHE 10 HZ PHE 10 4.267 -6.782 15.042 85 H GLU 11 HN GLU 11 3.306 -1.351 12.400 86 HA GLU 11 HA GLU 11 2.781 -2.030 15.032 87 1HB GLU 11 2HB GLU 11 4.641 -0.396 13.580 88 2HB GLU 11 3HB GLU 11 3.999 0.586 14.882 89 1HG GLU 11 2HG GLU 11 4.421 -1.690 16.289 90 2HG GLU 11 3HG GLU 11 5.613 -1.950 15.030 91 H LYS 12 HN LYS 12 1.578 0.605 12.922 92 HA LYS 12 HA LYS 12 0.452 2.205 14.892 93 1HB LYS 12 2HB LYS 12 0.817 2.812 12.500 94 2HB LYS 12 3HB LYS 12 -0.519 1.771 12.052 95 1HG LYS 12 2HG LYS 12 -2.069 3.103 13.460 96 2HG LYS 12 3HG LYS 12 -0.743 4.110 14.006 97 1HD LYS 12 2HD LYS 12 -0.443 4.332 11.277 98 2HD LYS 12 3HD LYS 12 -2.179 4.118 11.387 99 1HE LYS 12 2HE LYS 12 -2.505 6.170 12.370 100 2HE LYS 12 3HE LYS 12 -1.090 6.021 13.393 101 1HZ LYS 12 1HZ LYS 12 -1.171 7.658 11.381 102 2HZ LYS 12 2HZ LYS 12 0.223 6.929 11.822 103 3HZ LYS 12 3HZ LYS 12 -0.635 6.355 10.556 104 H TYR 13 HN TYR 13 -0.544 -0.900 13.513 105 HA TYR 13 HA TYR 13 -3.163 -0.665 14.775 106 1HB TYR 13 2HB TYR 13 -1.674 -2.439 12.793 107 2HB TYR 13 3HB TYR 13 -3.044 -3.143 13.630 108 HD1 TYR 13 HD1 TYR 13 -5.085 -3.057 12.540 109 HD2 TYR 13 HD2 TYR 13 -2.224 0.035 11.793 110 HE1 TYR 13 HE1 TYR 13 -6.656 -2.004 10.840 111 HE2 TYR 13 HE2 TYR 13 -3.804 1.077 10.096 112 HH TYR 13 HH TYR 13 -5.832 -0.092 8.571 113 H ALA 14 HN ALA 14 -0.071 -2.491 14.967 114 HA ALA 14 HA ALA 14 -0.980 -4.351 16.875 115 1HB ALA 14 1HB ALA 14 1.890 -3.478 16.722 116 2HB ALA 14 2HB ALA 14 1.203 -5.116 16.827 117 3HB ALA 14 3HB ALA 14 1.153 -4.227 15.286 118 H ALA 15 HN ALA 15 0.019 -0.976 17.013 119 HA ALA 15 HA ALA 15 0.556 -1.072 19.844 120 1HB ALA 15 1HB ALA 15 1.890 0.494 18.743 121 2HB ALA 15 2HB ALA 15 0.574 1.008 17.660 122 3HB ALA 15 3HB ALA 15 0.573 1.517 19.366 123 H LYS 16 HN LYS 16 -2.177 -0.729 17.700 124 HA LYS 16 HA LYS 16 -3.817 0.939 19.160 125 1HB LYS 16 2HB LYS 16 -4.005 -0.650 16.871 126 2HB LYS 16 3HB LYS 16 -5.240 -1.292 17.935 127 1HG LYS 16 2HG LYS 16 -5.960 1.169 18.339 128 2HG LYS 16 3HG LYS 16 -4.924 1.586 16.988 129 1HD LYS 16 2HD LYS 16 -6.291 0.530 15.418 130 2HD LYS 16 3HD LYS 16 -6.869 -0.668 16.560 131 1HE LYS 16 2HE LYS 16 -7.615 2.234 16.993 132 2HE LYS 16 3HE LYS 16 -8.455 1.323 15.754 133 1HZ LYS 16 1HZ LYS 16 -9.371 -0.048 17.289 134 2HZ LYS 16 2HZ LYS 16 -8.164 0.116 18.377 135 3HZ LYS 16 3HZ LYS 16 -9.266 1.307 18.195 136 H GLU 17 HN GLU 17 -3.894 -2.698 19.217 137 HA GLU 17 HA GLU 17 -4.759 -2.421 21.990 138 1HB GLU 17 2HB GLU 17 -5.572 -4.360 19.811 139 2HB GLU 17 3HB GLU 17 -5.725 -4.827 21.493 140 1HG GLU 17 2HG GLU 17 -6.802 -2.213 21.392 141 2HG GLU 17 3HG GLU 17 -7.379 -2.977 19.924 142 H GLY 18 HN GLY 18 -3.515 -3.399 23.559 143 1HA GLY 18 1HA GLY 18 -1.879 -4.618 24.502 144 2HA GLY 18 2HA GLY 18 -2.009 -5.742 23.164 145 H ASP 19 HN ASP 19 0.487 -5.597 23.926 146 HA ASP 19 HA ASP 19 1.998 -3.438 23.209 147 1HB ASP 19 2HB ASP 19 2.531 -5.821 24.344 148 2HB ASP 19 3HB ASP 19 3.046 -6.227 22.719 149 HA PRO 20 HA PRO 20 1.844 -3.732 18.823 150 1HB PRO 20 2HB PRO 20 3.820 -1.959 18.177 151 2HB PRO 20 3HB PRO 20 2.188 -1.468 18.582 152 1HG PRO 20 2HG PRO 20 4.640 -1.283 20.222 153 2HG PRO 20 3HG PRO 20 3.119 -0.435 20.422 154 1HD PRO 20 2HD PRO 20 4.050 -2.672 21.956 155 2HD PRO 20 3HD PRO 20 2.483 -1.897 22.077 156 H ASN 21 HN ASN 21 4.172 -5.022 20.712 157 HA ASN 21 HA ASN 21 5.879 -5.738 18.522 158 1HB ASN 21 2HB ASN 21 5.873 -6.414 21.505 159 2HB ASN 21 3HB ASN 21 7.043 -7.104 20.398 160 1HD2 ASN 21 1HD2 ASN 21 8.266 -5.562 19.031 161 2HD2 ASN 21 2HD2 ASN 21 8.792 -4.067 19.730 162 H GLN 22 HN GLN 22 2.875 -6.696 19.589 163 HA GLN 22 HA GLN 22 3.246 -9.326 18.481 164 1HB GLN 22 2HB GLN 22 1.773 -10.242 20.439 165 2HB GLN 22 3HB GLN 22 3.491 -10.027 20.706 166 1HG GLN 22 2HG GLN 22 2.258 -7.512 21.309 167 2HG GLN 22 3HG GLN 22 1.266 -8.743 22.065 168 1HE2 GLN 22 1HE2 GLN 22 4.719 -8.068 21.486 169 2HE2 GLN 22 2HE2 GLN 22 5.285 -8.439 23.080 170 H LEU 23 HN LEU 23 1.547 -9.837 17.134 171 HA LEU 23 HA LEU 23 -0.650 -7.941 17.080 172 1HB LEU 23 2HB LEU 23 0.477 -9.972 15.188 173 2HB LEU 23 3HB LEU 23 -1.165 -9.399 14.974 174 HG LEU 23 HG LEU 23 0.822 -8.263 13.710 175 1HD1 LEU 23 1HD1 LEU 23 -1.133 -7.260 13.182 176 2HD1 LEU 23 2HD1 LEU 23 -1.653 -7.121 14.879 177 3HD1 LEU 23 3HD1 LEU 23 -0.480 -5.961 14.210 178 1HD2 LEU 23 1HD2 LEU 23 1.046 -7.070 16.469 179 2HD2 LEU 23 2HD2 LEU 23 2.325 -7.720 15.417 180 3HD2 LEU 23 3HD2 LEU 23 1.541 -6.174 15.014 181 H SER 24 HN SER 24 -2.910 -8.719 16.904 182 HA SER 24 HA SER 24 -3.255 -11.325 18.137 183 1HB SER 24 2HB SER 24 -4.636 -8.755 19.032 184 2HB SER 24 3HB SER 24 -5.050 -10.358 19.607 185 HG SER 24 HG SER 24 -2.857 -10.560 20.441 186 H LYS 25 HN LYS 25 -5.752 -11.928 18.040 187 HA LYS 25 HA LYS 25 -6.496 -11.926 15.366 188 1HB LYS 25 2HB LYS 25 -7.148 -13.589 17.120 189 2HB LYS 25 3HB LYS 25 -8.261 -12.411 17.783 190 1HG LYS 25 2HG LYS 25 -9.271 -12.256 15.391 191 2HG LYS 25 3HG LYS 25 -8.345 -13.698 15.025 192 1HD LYS 25 2HD LYS 25 -10.131 -14.860 15.835 193 2HD LYS 25 3HD LYS 25 -9.549 -14.407 17.425 194 1HE LYS 25 2HE LYS 25 -10.995 -12.141 16.508 195 2HE LYS 25 3HE LYS 25 -11.963 -13.519 16.021 196 1HZ LYS 25 1HZ LYS 25 -10.879 -13.592 18.694 197 2HZ LYS 25 2HZ LYS 25 -12.066 -12.504 18.422 198 3HZ LYS 25 3HZ LYS 25 -12.334 -14.091 18.146 199 H GLU 26 HN GLU 26 -7.981 -10.103 18.143 200 HA GLU 26 HA GLU 26 -9.741 -8.681 16.610 201 1HB GLU 26 2HB GLU 26 -8.880 -8.734 19.321 202 2HB GLU 26 3HB GLU 26 -8.739 -7.062 18.815 203 1HG GLU 26 2HG GLU 26 -11.239 -8.372 17.890 204 2HG GLU 26 3HG GLU 26 -11.093 -8.298 19.635 205 H GLU 27 HN GLU 27 -6.325 -7.928 17.513 206 HA GLU 27 HA GLU 27 -6.281 -5.388 16.440 207 1HB GLU 27 2HB GLU 27 -4.272 -7.441 17.246 208 2HB GLU 27 3HB GLU 27 -3.689 -6.230 16.122 209 1HG GLU 27 2HG GLU 27 -4.947 -4.555 17.812 210 2HG GLU 27 3HG GLU 27 -4.704 -5.874 18.940 211 H LEU 28 HN LEU 28 -5.220 -8.547 14.982 212 HA LEU 28 HA LEU 28 -4.501 -7.532 12.515 213 1HB LEU 28 2HB LEU 28 -4.256 -9.882 13.648 214 2HB LEU 28 3HB LEU 28 -5.751 -10.237 12.806 215 HG LEU 28 HG LEU 28 -4.777 -10.139 10.712 216 1HD1 LEU 28 1HD1 LEU 28 -3.845 -7.975 10.670 217 2HD1 LEU 28 2HD1 LEU 28 -2.663 -8.367 11.942 218 3HD1 LEU 28 3HD1 LEU 28 -2.497 -9.083 10.320 219 1HD2 LEU 28 1HD2 LEU 28 -3.906 -12.063 11.863 220 2HD2 LEU 28 2HD2 LEU 28 -2.631 -11.388 10.820 221 3HD2 LEU 28 3HD2 LEU 28 -2.591 -11.099 12.576 222 H LYS 29 HN LYS 29 -7.701 -8.704 13.721 223 HA LYS 29 HA LYS 29 -9.174 -8.702 11.489 224 1HB LYS 29 2HB LYS 29 -10.036 -9.222 13.714 225 2HB LYS 29 3HB LYS 29 -9.942 -7.536 14.181 226 1HG LYS 29 2HG LYS 29 -11.614 -6.907 12.503 227 2HG LYS 29 3HG LYS 29 -11.601 -8.518 11.814 228 1HD LYS 29 2HD LYS 29 -12.674 -9.477 13.730 229 2HD LYS 29 3HD LYS 29 -12.308 -8.092 14.740 230 1HE LYS 29 2HE LYS 29 -13.971 -6.734 13.710 231 2HE LYS 29 3HE LYS 29 -14.043 -7.737 12.275 232 1HZ LYS 29 1HZ LYS 29 -14.887 -9.516 13.811 233 2HZ LYS 29 2HZ LYS 29 -15.094 -8.351 14.937 234 3HZ LYS 29 3HZ LYS 29 -15.906 -8.273 13.522 235 H LEU 30 HN LEU 30 -8.451 -5.725 13.444 236 HA LEU 30 HA LEU 30 -9.716 -3.939 11.773 237 1HB LEU 30 2HB LEU 30 -7.233 -3.522 13.443 238 2HB LEU 30 3HB LEU 30 -8.257 -2.256 12.797 239 HG LEU 30 HG LEU 30 -8.822 -4.199 15.020 240 1HD1 LEU 30 1HD1 LEU 30 -9.020 -2.358 16.363 241 2HD1 LEU 30 2HD1 LEU 30 -7.841 -1.752 15.175 242 3HD1 LEU 30 3HD1 LEU 30 -9.557 -1.301 15.035 243 1HD2 LEU 30 1HD2 LEU 30 -11.200 -3.320 14.988 244 2HD2 LEU 30 2HD2 LEU 30 -10.876 -2.766 13.328 245 3HD2 LEU 30 3HD2 LEU 30 -10.775 -4.499 13.724 246 H LEU 31 HN LEU 31 -6.193 -4.844 11.794 247 HA LEU 31 HA LEU 31 -5.447 -3.390 9.603 248 1HB LEU 31 2HB LEU 31 -4.146 -4.890 11.307 249 2HB LEU 31 3HB LEU 31 -4.340 -6.131 10.084 250 HG LEU 31 HG LEU 31 -3.393 -3.939 8.646 251 1HD1 LEU 31 1HD1 LEU 31 -2.341 -3.896 11.437 252 2HD1 LEU 31 2HD1 LEU 31 -1.197 -3.610 10.103 253 3HD1 LEU 31 3HD1 LEU 31 -2.624 -2.563 10.291 254 1HD2 LEU 31 1HD2 LEU 31 -1.422 -5.268 8.312 255 2HD2 LEU 31 2HD2 LEU 31 -1.744 -6.206 9.791 256 3HD2 LEU 31 3HD2 LEU 31 -2.832 -6.352 8.390 257 H LEU 32 HN LEU 32 -6.289 -6.930 9.543 258 HA LEU 32 HA LEU 32 -6.344 -7.227 6.841 259 1HB LEU 32 2HB LEU 32 -8.199 -8.535 8.834 260 2HB LEU 32 3HB LEU 32 -7.812 -9.129 7.232 261 HG LEU 32 HG LEU 32 -5.726 -8.753 9.392 262 1HD1 LEU 32 1HD1 LEU 32 -5.929 -11.345 9.490 263 2HD1 LEU 32 2HD1 LEU 32 -7.076 -10.336 10.404 264 3HD1 LEU 32 3HD1 LEU 32 -7.569 -11.065 8.857 265 1HD2 LEU 32 1HD2 LEU 32 -4.245 -9.349 7.853 266 2HD2 LEU 32 2HD2 LEU 32 -5.173 -10.817 7.465 267 3HD2 LEU 32 3HD2 LEU 32 -5.537 -9.288 6.629 268 H GLN 33 HN GLN 33 -8.527 -5.393 8.876 269 HA GLN 33 HA GLN 33 -10.719 -5.462 7.129 270 1HB GLN 33 2HB GLN 33 -10.275 -4.567 9.698 271 2HB GLN 33 3HB GLN 33 -10.376 -3.046 8.832 272 1HG GLN 33 2HG GLN 33 -12.546 -3.904 7.769 273 2HG GLN 33 3HG GLN 33 -12.465 -5.270 8.864 274 1HE2 GLN 33 1HE2 GLN 33 -13.397 -5.098 10.757 275 2HE2 GLN 33 2HE2 GLN 33 -13.869 -3.639 11.562 276 H THR 34 HN THR 34 -8.379 -2.767 7.870 277 HA THR 34 HA THR 34 -9.132 -1.427 5.429 278 HB THR 34 HB THR 34 -7.654 -0.874 7.952 279 HG1 THR 34 HG1 THR 34 -9.678 0.114 7.439 280 1HG2 THR 34 1HG2 THR 34 -6.455 1.082 6.941 281 2HG2 THR 34 2HG2 THR 34 -5.789 -0.458 6.347 282 3HG2 THR 34 3HG2 THR 34 -6.887 0.493 5.318 283 H GLU 35 HN GLU 35 -6.174 -3.053 6.735 284 HA GLU 35 HA GLU 35 -4.515 -2.585 4.674 285 1HB GLU 35 2HB GLU 35 -3.743 -3.742 6.645 286 2HB GLU 35 3HB GLU 35 -4.856 -5.072 6.392 287 1HG GLU 35 2HG GLU 35 -2.615 -5.761 5.680 288 2HG GLU 35 3HG GLU 35 -3.656 -5.667 4.274 289 H PHE 36 HN PHE 36 -6.654 -5.521 4.969 290 HA PHE 36 HA PHE 36 -7.113 -5.408 2.120 291 1HB PHE 36 2HB PHE 36 -5.601 -7.582 3.659 292 2HB PHE 36 3HB PHE 36 -6.466 -7.997 2.193 293 HD1 PHE 36 HD1 PHE 36 -5.942 -5.970 0.299 294 HD2 PHE 36 HD2 PHE 36 -3.337 -7.460 3.299 295 HE1 PHE 36 HE1 PHE 36 -3.960 -5.264 -1.070 296 HE2 PHE 36 HE2 PHE 36 -1.355 -6.753 1.930 297 HZ PHE 36 HZ PHE 36 -1.691 -5.663 -0.238 298 HA PRO 37 HA PRO 37 -10.716 -6.793 4.388 299 1HB PRO 37 2HB PRO 37 -12.553 -5.328 2.993 300 2HB PRO 37 3HB PRO 37 -11.779 -4.752 4.456 301 1HG PRO 37 2HG PRO 37 -11.263 -3.965 1.654 302 2HG PRO 37 3HG PRO 37 -10.826 -3.125 3.128 303 1HD PRO 37 2HD PRO 37 -9.083 -4.667 1.451 304 2HD PRO 37 3HD PRO 37 -8.675 -3.924 2.985 305 H SER 38 HN SER 38 -9.423 -7.366 1.472 306 HA SER 38 HA SER 38 -11.730 -8.759 0.467 307 1HB SER 38 2HB SER 38 -10.119 -9.328 -1.440 308 2HB SER 38 3HB SER 38 -10.480 -7.627 -1.222 309 HG SER 38 HG SER 38 -8.452 -7.225 -0.490 310 H LEU 39 HN LEU 39 -8.587 -9.349 2.052 311 HA LEU 39 HA LEU 39 -8.519 -12.129 1.551 312 1HB LEU 39 2HB LEU 39 -6.910 -10.133 2.809 313 2HB LEU 39 3HB LEU 39 -7.111 -11.463 3.931 314 HG LEU 39 HG LEU 39 -5.086 -11.534 2.401 315 1HD1 LEU 39 1HD1 LEU 39 -5.274 -13.983 2.027 316 2HD1 LEU 39 2HD1 LEU 39 -5.745 -13.473 3.666 317 3HD1 LEU 39 3HD1 LEU 39 -6.996 -13.884 2.468 318 1HD2 LEU 39 1HD2 LEU 39 -5.346 -11.348 0.209 319 2HD2 LEU 39 2HD2 LEU 39 -6.288 -12.858 0.195 320 3HD2 LEU 39 3HD2 LEU 39 -7.115 -11.296 0.402 321 H LEU 40 HN LEU 40 -10.364 -10.085 3.690 322 HA LEU 40 HA LEU 40 -10.807 -12.084 5.677 323 1HB LEU 40 2HB LEU 40 -12.134 -9.447 5.054 324 2HB LEU 40 3HB LEU 40 -12.605 -10.473 6.394 325 HG LEU 40 HG LEU 40 -9.863 -9.240 6.006 326 1HD1 LEU 40 1HD1 LEU 40 -12.174 -7.966 6.805 327 2HD1 LEU 40 2HD1 LEU 40 -11.417 -8.428 8.349 328 3HD1 LEU 40 3HD1 LEU 40 -10.510 -7.449 7.170 329 1HD2 LEU 40 1HD2 LEU 40 -9.578 -9.972 8.426 330 2HD2 LEU 40 2HD2 LEU 40 -10.993 -11.020 8.168 331 3HD2 LEU 40 3HD2 LEU 40 -9.525 -11.250 7.188 332 H LYS 41 HN LYS 41 -12.202 -11.184 2.552 333 HA LYS 41 HA LYS 41 -14.656 -12.555 2.970 334 1HB LYS 41 2HB LYS 41 -15.172 -11.944 0.782 335 2HB LYS 41 3HB LYS 41 -14.143 -10.640 1.339 336 1HG LYS 41 2HG LYS 41 -12.712 -11.040 -0.370 337 2HG LYS 41 3HG LYS 41 -12.394 -12.640 0.270 338 1HD LYS 41 2HD LYS 41 -13.615 -13.634 -1.370 339 2HD LYS 41 3HD LYS 41 -14.991 -12.592 -1.071 340 1HE LYS 41 2HE LYS 41 -13.295 -10.812 -2.305 341 2HE LYS 41 3HE LYS 41 -12.792 -12.303 -3.076 342 1HZ LYS 41 1HZ LYS 41 -15.469 -11.122 -3.044 343 2HZ LYS 41 2HZ LYS 41 -14.546 -11.501 -4.336 344 3HZ LYS 41 3HZ LYS 41 -15.234 -12.686 -3.449 345 H GLY 42 HN GLY 42 -11.373 -13.447 2.048 346 1HA GLY 42 1HA GLY 42 -11.615 -15.679 0.548 347 2HA GLY 42 2HA GLY 42 -10.458 -15.505 1.853 348 H MET 43 HN MET 43 -11.363 -18.045 1.290 349 HA MET 43 HA MET 43 -13.663 -18.670 2.809 350 1HB MET 43 2HB MET 43 -11.385 -20.413 1.713 351 2HB MET 43 3HB MET 43 -12.892 -21.047 2.344 352 1HG MET 43 2HG MET 43 -13.837 -19.208 0.511 353 2HG MET 43 3HG MET 43 -12.347 -19.705 -0.265 354 1HE MET 43 1HE MET 43 -15.509 -19.831 -0.398 355 2HE MET 43 2HE MET 43 -15.734 -21.207 -1.504 356 3HE MET 43 3HE MET 43 -16.236 -21.342 0.198 357 H SER 44 HN SER 44 -10.613 -17.678 3.761 358 HA SER 44 HA SER 44 -10.464 -19.519 5.984 359 1HB SER 44 2HB SER 44 -8.598 -17.320 4.999 360 2HB SER 44 3HB SER 44 -8.303 -18.239 6.462 361 HG SER 44 HG SER 44 -8.448 -19.238 3.751 362 H THR 45 HN THR 45 -12.039 -18.942 7.496 363 HA THR 45 HA THR 45 -12.863 -16.312 7.985 364 HB THR 45 HB THR 45 -14.033 -17.359 9.878 365 HG1 THR 45 HG1 THR 45 -12.354 -19.673 9.268 366 1HG2 THR 45 1HG2 THR 45 -14.224 -19.849 8.504 367 2HG2 THR 45 2HG2 THR 45 -15.340 -18.469 8.366 368 3HG2 THR 45 3HG2 THR 45 -13.969 -18.622 7.240 369 H LEU 46 HN LEU 46 -12.713 -15.289 10.270 370 HA LEU 46 HA LEU 46 -10.155 -14.365 10.601 371 1HB LEU 46 2HB LEU 46 -12.496 -13.585 11.484 372 2HB LEU 46 3HB LEU 46 -12.055 -14.504 12.910 373 HG LEU 46 HG LEU 46 -10.211 -13.107 13.392 374 1HD1 LEU 46 1HD1 LEU 46 -9.687 -11.157 11.747 375 2HD1 LEU 46 2HD1 LEU 46 -9.038 -12.783 11.427 376 3HD1 LEU 46 3HD1 LEU 46 -10.468 -12.205 10.539 377 1HD2 LEU 46 1HD2 LEU 46 -12.235 -12.080 14.091 378 2HD2 LEU 46 2HD2 LEU 46 -11.220 -10.797 13.389 379 3HD2 LEU 46 3HD2 LEU 46 -12.576 -11.472 12.453 380 H ASP 47 HN ASP 47 -11.861 -16.755 12.751 381 HA ASP 47 HA ASP 47 -9.856 -17.359 14.386 382 1HB ASP 47 2HB ASP 47 -12.211 -18.756 13.319 383 2HB ASP 47 3HB ASP 47 -10.940 -19.891 13.725 384 H GLU 48 HN GLU 48 -10.542 -18.932 11.169 385 HA GLU 48 HA GLU 48 -8.427 -20.661 11.169 386 1HB GLU 48 2HB GLU 48 -10.365 -19.631 9.261 387 2HB GLU 48 3HB GLU 48 -8.806 -19.795 8.478 388 1HG GLU 48 2HG GLU 48 -8.815 -22.160 9.785 389 2HG GLU 48 3HG GLU 48 -10.549 -21.921 9.708 390 H LEU 49 HN LEU 49 -8.612 -17.254 9.955 391 HA LEU 49 HA LEU 49 -5.994 -17.182 8.966 392 1HB LEU 49 2HB LEU 49 -8.180 -15.569 8.877 393 2HB LEU 49 3HB LEU 49 -7.168 -14.681 9.998 394 HG LEU 49 HG LEU 49 -5.344 -15.166 8.067 395 1HD1 LEU 49 1HD1 LEU 49 -6.243 -15.061 5.879 396 2HD1 LEU 49 2HD1 LEU 49 -7.118 -16.363 6.720 397 3HD1 LEU 49 3HD1 LEU 49 -7.892 -14.777 6.487 398 1HD2 LEU 49 1HD2 LEU 49 -6.968 -12.954 8.930 399 2HD2 LEU 49 2HD2 LEU 49 -5.306 -12.960 8.291 400 3HD2 LEU 49 3HD2 LEU 49 -6.689 -12.853 7.175 401 H PHE 50 HN PHE 50 -7.424 -16.352 12.176 402 HA PHE 50 HA PHE 50 -5.111 -15.321 13.302 403 1HB PHE 50 2HB PHE 50 -7.542 -15.321 14.153 404 2HB PHE 50 3HB PHE 50 -7.354 -17.017 14.553 405 HD1 PHE 50 HD1 PHE 50 -5.063 -14.118 15.083 406 HD2 PHE 50 HD2 PHE 50 -7.393 -17.189 16.856 407 HE1 PHE 50 HE1 PHE 50 -4.175 -13.487 17.345 408 HE2 PHE 50 HE2 PHE 50 -6.504 -16.558 19.117 409 HZ PHE 50 HZ PHE 50 -4.906 -14.715 19.335 410 H GLU 51 HN GLU 51 -6.450 -18.698 13.427 411 HA GLU 51 HA GLU 51 -4.266 -19.658 14.888 412 1HB GLU 51 2HB GLU 51 -6.701 -20.744 13.619 413 2HB GLU 51 3HB GLU 51 -5.359 -21.871 13.581 414 1HG GLU 51 2HG GLU 51 -5.067 -21.711 16.009 415 2HG GLU 51 3HG GLU 51 -6.236 -20.410 16.113 416 H GLU 52 HN GLU 52 -5.065 -19.486 11.387 417 HA GLU 52 HA GLU 52 -2.992 -21.115 10.529 418 1HB GLU 52 2HB GLU 52 -4.936 -20.453 9.130 419 2HB GLU 52 3HB GLU 52 -4.362 -18.797 9.094 420 1HG GLU 52 2HG GLU 52 -2.214 -19.618 8.022 421 2HG GLU 52 3HG GLU 52 -2.900 -21.230 7.963 422 H LEU 53 HN LEU 53 -3.228 -17.486 10.672 423 HA LEU 53 HA LEU 53 -0.655 -16.963 9.827 424 1HB LEU 53 2HB LEU 53 -2.367 -15.407 11.770 425 2HB LEU 53 3HB LEU 53 -0.956 -14.791 10.933 426 HG LEU 53 HG LEU 53 -3.227 -15.903 9.319 427 1HD1 LEU 53 1HD1 LEU 53 -4.677 -14.235 9.696 428 2HD1 LEU 53 2HD1 LEU 53 -3.803 -14.051 11.236 429 3HD1 LEU 53 3HD1 LEU 53 -3.394 -13.011 9.851 430 1HD2 LEU 53 1HD2 LEU 53 -1.536 -15.344 7.885 431 2HD2 LEU 53 2HD2 LEU 53 -2.417 -13.798 7.942 432 3HD2 LEU 53 3HD2 LEU 53 -0.942 -14.019 8.914 433 H ASP 54 HN ASP 54 -1.909 -17.371 13.209 434 HA ASP 54 HA ASP 54 0.615 -17.082 14.349 435 1HB ASP 54 2HB ASP 54 -1.810 -17.013 15.389 436 2HB ASP 54 3HB ASP 54 -1.618 -18.747 15.561 437 H LYS 55 HN LYS 55 1.804 -18.593 12.779 438 HA LYS 55 HA LYS 55 1.267 -21.416 13.196 439 1HB LYS 55 2HB LYS 55 2.314 -19.803 11.065 440 2HB LYS 55 3HB LYS 55 3.529 -20.980 11.519 441 1HG LYS 55 2HG LYS 55 0.610 -21.719 11.021 442 2HG LYS 55 3HG LYS 55 1.831 -21.760 9.764 443 1HD LYS 55 2HD LYS 55 3.116 -23.455 10.941 444 2HD LYS 55 3HD LYS 55 2.154 -23.268 12.394 445 1HE LYS 55 2HE LYS 55 0.117 -24.015 11.011 446 2HE LYS 55 3HE LYS 55 1.232 -24.416 9.720 447 1HZ LYS 55 1HZ LYS 55 0.634 -25.899 11.990 448 2HZ LYS 55 2HZ LYS 55 1.620 -26.303 10.751 449 3HZ LYS 55 3HZ LYS 55 2.222 -25.521 12.052 450 H ASN 56 HN ASN 56 3.066 -18.894 14.625 451 HA ASN 56 HA ASN 56 5.385 -20.371 15.223 452 1HB ASN 56 2HB ASN 56 4.132 -17.783 16.177 453 2HB ASN 56 3HB ASN 56 5.426 -18.471 17.139 454 1HD2 ASN 56 1HD2 ASN 56 7.200 -19.482 15.521 455 2HD2 ASN 56 2HD2 ASN 56 7.848 -18.337 14.395 456 H GLY 57 HN GLY 57 2.167 -20.711 16.169 457 1HA GLY 57 1HA GLY 57 1.086 -21.647 17.908 458 2HA GLY 57 2HA GLY 57 2.520 -22.640 18.075 459 H ASP 58 HN ASP 58 2.155 -19.066 18.543 460 HA ASP 58 HA ASP 58 3.138 -19.507 21.247 461 1HB ASP 58 2HB ASP 58 3.557 -16.905 21.005 462 2HB ASP 58 3HB ASP 58 4.671 -18.040 20.270 463 H GLY 59 HN GLY 59 0.806 -17.684 19.159 464 1HA GLY 59 1HA GLY 59 -1.492 -17.622 20.008 465 2HA GLY 59 2HA GLY 59 -0.836 -17.158 21.566 466 H GLU 60 HN GLU 60 1.209 -15.716 19.353 467 HA GLU 60 HA GLU 60 -0.528 -13.421 18.984 468 1HB GLU 60 2HB GLU 60 2.112 -13.490 20.456 469 2HB GLU 60 3HB GLU 60 1.657 -12.040 19.582 470 1HG GLU 60 2HG GLU 60 0.501 -11.460 21.458 471 2HG GLU 60 3HG GLU 60 -0.693 -12.633 20.939 472 H VAL 61 HN VAL 61 -0.245 -12.385 17.002 473 HA VAL 61 HA VAL 61 1.580 -13.705 15.182 474 HB VAL 61 HB VAL 61 -0.606 -11.648 14.833 475 1HG1 VAL 61 1HG1 VAL 61 1.190 -12.955 12.767 476 2HG1 VAL 61 2HG1 VAL 61 -0.336 -12.124 12.377 477 3HG1 VAL 61 3HG1 VAL 61 1.009 -11.218 13.112 478 1HG2 VAL 61 1HG2 VAL 61 -0.909 -14.281 15.346 479 2HG2 VAL 61 2HG2 VAL 61 -2.023 -13.347 14.319 480 3HG2 VAL 61 3HG2 VAL 61 -0.745 -14.337 13.575 481 H SER 62 HN SER 62 2.782 -12.201 13.569 482 HA SER 62 HA SER 62 3.475 -9.649 14.549 483 1HB SER 62 2HB SER 62 6.006 -11.082 14.437 484 2HB SER 62 3HB SER 62 5.374 -10.056 15.709 485 HG SER 62 HG SER 62 5.180 -12.886 15.395 486 H PHE 63 HN PHE 63 5.448 -8.776 13.135 487 HA PHE 63 HA PHE 63 4.745 -8.893 10.510 488 1HB PHE 63 2HB PHE 63 6.319 -7.290 11.757 489 2HB PHE 63 3HB PHE 63 7.543 -8.544 11.745 490 HD1 PHE 63 HD1 PHE 63 9.236 -8.005 10.288 491 HD2 PHE 63 HD2 PHE 63 5.235 -7.198 9.128 492 HE1 PHE 63 HE1 PHE 63 10.047 -7.193 8.055 493 HE2 PHE 63 HE2 PHE 63 6.046 -6.386 6.895 494 HZ PHE 63 HZ PHE 63 8.443 -6.393 6.386 495 H GLU 64 HN GLU 64 6.598 -11.232 12.377 496 HA GLU 64 HA GLU 64 7.954 -12.355 10.192 497 1HB GLU 64 2HB GLU 64 7.288 -14.033 12.590 498 2HB GLU 64 3HB GLU 64 8.810 -13.866 11.737 499 1HG GLU 64 2HG GLU 64 7.595 -12.028 13.816 500 2HG GLU 64 3HG GLU 64 9.202 -12.727 13.777 501 H GLU 65 HN GLU 65 5.052 -13.446 12.101 502 HA GLU 65 HA GLU 65 4.519 -15.535 10.300 503 1HB GLU 65 2HB GLU 65 2.786 -14.212 12.433 504 2HB GLU 65 3HB GLU 65 2.331 -15.669 11.571 505 1HG GLU 65 2HG GLU 65 4.351 -16.837 12.423 506 2HG GLU 65 3HG GLU 65 4.882 -15.374 13.227 507 H PHE 66 HN PHE 66 3.692 -12.104 10.463 508 HA PHE 66 HA PHE 66 1.386 -12.113 8.919 509 1HB PHE 66 2HB PHE 66 2.547 -10.235 10.283 510 2HB PHE 66 3HB PHE 66 3.703 -10.090 8.974 511 HD1 PHE 66 HD1 PHE 66 -0.023 -10.402 9.071 512 HD2 PHE 66 HD2 PHE 66 3.340 -8.153 7.790 513 HE1 PHE 66 HE1 PHE 66 -1.548 -8.787 7.902 514 HE2 PHE 66 HE2 PHE 66 1.815 -6.538 6.622 515 HZ PHE 66 HZ PHE 66 -0.611 -6.874 6.692 516 H GLN 67 HN GLN 67 4.850 -12.278 8.030 517 HA GLN 67 HA GLN 67 4.558 -11.613 5.369 518 1HB GLN 67 2HB GLN 67 6.570 -13.504 6.667 519 2HB GLN 67 3HB GLN 67 6.741 -12.800 5.072 520 1HG GLN 67 2HG GLN 67 6.170 -10.623 6.833 521 2HG GLN 67 3HG GLN 67 7.347 -11.619 7.666 522 1HE2 GLN 67 1HE2 GLN 67 8.099 -9.173 6.970 523 2HE2 GLN 67 2HE2 GLN 67 9.216 -9.170 5.645 524 H VAL 68 HN VAL 68 3.377 -14.331 7.112 525 HA VAL 68 HA VAL 68 3.556 -16.236 4.998 526 HB VAL 68 HB VAL 68 1.854 -16.156 7.497 527 1HG1 VAL 68 1HG1 VAL 68 0.943 -18.088 6.859 528 2HG1 VAL 68 2HG1 VAL 68 1.744 -17.910 5.280 529 3HG1 VAL 68 3HG1 VAL 68 2.551 -18.803 6.592 530 1HG2 VAL 68 1HG2 VAL 68 3.805 -16.394 8.573 531 2HG2 VAL 68 2HG2 VAL 68 3.883 -18.022 7.856 532 3HG2 VAL 68 3HG2 VAL 68 4.701 -16.657 7.057 533 H LEU 69 HN LEU 69 1.200 -13.792 6.132 534 HA LEU 69 HA LEU 69 -0.852 -14.732 4.379 535 1HB LEU 69 2HB LEU 69 -0.891 -13.348 6.653 536 2HB LEU 69 3HB LEU 69 -0.870 -11.992 5.544 537 HG LEU 69 HG LEU 69 -2.893 -12.943 4.414 538 1HD1 LEU 69 1HD1 LEU 69 -2.271 -15.209 6.033 539 2HD1 LEU 69 2HD1 LEU 69 -3.874 -14.598 6.509 540 3HD1 LEU 69 3HD1 LEU 69 -3.551 -15.021 4.810 541 1HD2 LEU 69 1HD2 LEU 69 -2.836 -11.976 7.236 542 2HD2 LEU 69 2HD2 LEU 69 -3.505 -11.217 5.772 543 3HD2 LEU 69 3HD2 LEU 69 -4.386 -12.542 6.570 544 H VAL 70 HN VAL 70 1.751 -12.274 4.323 545 HA VAL 70 HA VAL 70 0.944 -10.776 2.179 546 HB VAL 70 HB VAL 70 3.574 -11.593 3.339 547 1HG1 VAL 70 1HG1 VAL 70 4.670 -9.972 1.710 548 2HG1 VAL 70 2HG1 VAL 70 4.200 -11.556 1.049 549 3HG1 VAL 70 3HG1 VAL 70 3.199 -10.122 0.718 550 1HG2 VAL 70 1HG2 VAL 70 3.372 -9.664 4.445 551 2HG2 VAL 70 2HG2 VAL 70 3.100 -8.758 2.937 552 3HG2 VAL 70 3HG2 VAL 70 1.729 -9.524 3.775 553 H LYS 71 HN LYS 71 1.905 -14.143 2.305 554 HA LYS 71 HA LYS 71 2.702 -14.350 -0.407 555 1HB LYS 71 2HB LYS 71 2.966 -15.917 1.800 556 2HB LYS 71 3HB LYS 71 1.652 -16.745 0.989 557 1HG LYS 71 2HG LYS 71 3.353 -16.246 -1.135 558 2HG LYS 71 3HG LYS 71 4.502 -16.459 0.170 559 1HD LYS 71 2HD LYS 71 4.199 -18.662 -0.636 560 2HD LYS 71 3HD LYS 71 3.156 -18.610 0.772 561 1HE LYS 71 2HE LYS 71 1.758 -17.677 -1.648 562 2HE LYS 71 3HE LYS 71 2.389 -19.299 -1.852 563 1HZ LYS 71 1HZ LYS 71 0.136 -18.642 -0.532 564 2HZ LYS 71 2HZ LYS 71 0.906 -20.079 -0.431 565 3HZ LYS 71 3HZ LYS 71 1.185 -18.923 0.688 566 H LYS 72 HN LYS 72 -0.379 -14.808 1.403 567 HA LYS 72 HA LYS 72 -1.791 -15.745 -0.866 568 1HB LYS 72 2HB LYS 72 -2.686 -14.646 1.811 569 2HB LYS 72 3HB LYS 72 -3.792 -15.262 0.601 570 1HG LYS 72 2HG LYS 72 -1.446 -16.890 1.676 571 2HG LYS 72 3HG LYS 72 -3.045 -16.943 2.392 572 1HD LYS 72 2HD LYS 72 -3.716 -17.360 -0.225 573 2HD LYS 72 3HD LYS 72 -2.099 -18.037 -0.234 574 1HE LYS 72 2HE LYS 72 -3.777 -18.848 2.098 575 2HE LYS 72 3HE LYS 72 -4.356 -19.417 0.546 576 1HZ LYS 72 1HZ LYS 72 -1.593 -19.760 1.481 577 2HZ LYS 72 2HZ LYS 72 -2.753 -20.902 1.607 578 3HZ LYS 72 3HZ LYS 72 -2.251 -20.407 0.134 579 H ILE 73 HN ILE 73 -1.368 -12.533 0.726 580 HA ILE 73 HA ILE 73 -3.102 -11.246 -1.135 581 HB ILE 73 HB ILE 73 -1.096 -10.112 0.818 582 1HG1 ILE 73 2HG1 ILE 73 -4.056 -10.222 1.301 583 2HG1 ILE 73 3HG1 ILE 73 -3.088 -11.651 1.606 584 1HG2 ILE 73 1HG2 ILE 73 -2.648 -8.860 -1.228 585 2HG2 ILE 73 2HG2 ILE 73 -3.294 -8.373 0.357 586 3HG2 ILE 73 3HG2 ILE 73 -1.574 -8.117 -0.019 587 1HD1 ILE 73 1HD1 ILE 73 -2.237 -10.769 3.514 588 2HD1 ILE 73 2HD1 ILE 73 -1.778 -9.263 2.685 589 3HD1 ILE 73 3HD1 ILE 73 -3.423 -9.455 3.336 590 H SER 74 HN SER 74 -0.027 -12.615 -1.408 591 HA SER 74 HA SER 74 0.965 -10.573 -3.173 592 1HB SER 74 2HB SER 74 2.060 -13.049 -1.884 593 2HB SER 74 3HB SER 74 2.776 -12.584 -3.415 594 HG SER 74 HG SER 74 2.652 -11.060 -0.968 595 H GLN 75 HN GLN 75 -0.204 -13.992 -3.237 596 HA GLN 75 HA GLN 75 0.236 -14.292 -5.993 597 1HB GLN 75 2HB GLN 75 -0.375 -15.976 -3.882 598 2HB GLN 75 3HB GLN 75 -1.888 -15.963 -4.765 599 1HG GLN 75 2HG GLN 75 -0.964 -16.961 -6.661 600 2HG GLN 75 3HG GLN 75 0.624 -16.273 -6.388 601 1HE2 GLN 75 1HE2 GLN 75 1.431 -16.963 -4.017 602 2HE2 GLN 75 2HE2 GLN 75 1.474 -18.676 -3.763 Start of MODEL 12 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.848 -0.762 -1.161 3 1HB LYS 1 2HB LYS 1 0.132 -0.169 -2.172 4 2HB LYS 1 3HB LYS 1 1.429 0.184 -3.296 5 1HG LYS 1 2HG LYS 1 1.286 -2.045 -3.804 6 2HG LYS 1 3HG LYS 1 2.270 -2.255 -2.369 7 1HD LYS 1 2HD LYS 1 -0.346 -2.068 -1.349 8 2HD LYS 1 3HD LYS 1 -0.549 -2.990 -2.826 9 1HE LYS 1 2HE LYS 1 1.745 -3.751 -1.025 10 2HE LYS 1 3HE LYS 1 0.129 -4.160 -0.486 11 1HZ LYS 1 1HZ LYS 1 -0.059 -5.019 -2.915 12 2HZ LYS 1 2HZ LYS 1 1.568 -5.119 -2.811 13 3HZ LYS 1 3HZ LYS 1 0.630 -5.943 -1.758 14 H SER 2 HN SER 2 4.492 0.460 -2.053 15 HA SER 2 HA SER 2 4.764 3.045 -1.118 16 1HB SER 2 2HB SER 2 6.262 1.180 -2.847 17 2HB SER 2 3HB SER 2 6.512 2.856 -3.296 18 HG SER 2 HG SER 2 7.932 2.849 -1.689 19 HA PRO 3 HA PRO 3 2.611 5.276 -4.186 20 1HB PRO 3 2HB PRO 3 3.489 7.802 -3.624 21 2HB PRO 3 3HB PRO 3 2.202 7.014 -2.733 22 1HG PRO 3 2HG PRO 3 5.002 7.487 -1.913 23 2HG PRO 3 3HG PRO 3 3.616 7.101 -0.913 24 1HD PRO 3 2HD PRO 3 5.715 5.312 -1.701 25 2HD PRO 3 3HD PRO 3 4.270 4.900 -0.799 26 H GLU 4 HN GLU 4 6.049 5.898 -3.868 27 HA GLU 4 HA GLU 4 6.298 7.052 -6.379 28 1HB GLU 4 2HB GLU 4 7.965 6.529 -4.197 29 2HB GLU 4 3HB GLU 4 8.660 5.538 -5.464 30 1HG GLU 4 2HG GLU 4 7.883 8.322 -6.258 31 2HG GLU 4 3HG GLU 4 9.231 8.192 -5.145 32 H GLU 5 HN GLU 5 5.940 3.719 -5.315 33 HA GLU 5 HA GLU 5 7.159 2.520 -7.527 34 1HB GLU 5 2HB GLU 5 5.600 1.701 -5.182 35 2HB GLU 5 3HB GLU 5 5.172 0.750 -6.590 36 1HG GLU 5 2HG GLU 5 7.933 0.819 -6.808 37 2HG GLU 5 3HG GLU 5 7.729 0.830 -5.067 38 H LEU 6 HN LEU 6 3.912 3.843 -6.884 39 HA LEU 6 HA LEU 6 2.563 2.597 -8.983 40 1HB LEU 6 2HB LEU 6 2.161 5.050 -7.326 41 2HB LEU 6 3HB LEU 6 1.165 4.819 -8.749 42 HG LEU 6 HG LEU 6 1.400 2.848 -6.458 43 1HD1 LEU 6 1HD1 LEU 6 -0.092 4.048 -5.345 44 2HD1 LEU 6 2HD1 LEU 6 -0.049 5.289 -6.620 45 3HD1 LEU 6 3HD1 LEU 6 -1.219 3.952 -6.719 46 1HD2 LEU 6 1HD2 LEU 6 0.156 2.710 -9.125 47 2HD2 LEU 6 2HD2 LEU 6 0.663 1.413 -8.016 48 3HD2 LEU 6 3HD2 LEU 6 -0.902 2.226 -7.778 49 H LYS 7 HN LYS 7 4.445 5.675 -8.808 50 HA LYS 7 HA LYS 7 3.885 6.551 -11.375 51 1HB LYS 7 2HB LYS 7 5.244 7.536 -9.254 52 2HB LYS 7 3HB LYS 7 6.595 7.072 -10.269 53 1HG LYS 7 2HG LYS 7 5.790 8.435 -12.117 54 2HG LYS 7 3HG LYS 7 4.250 8.710 -11.327 55 1HD LYS 7 2HD LYS 7 5.123 10.593 -10.414 56 2HD LYS 7 3HD LYS 7 6.167 9.579 -9.437 57 1HE LYS 7 2HE LYS 7 7.887 9.582 -11.244 58 2HE LYS 7 3HE LYS 7 6.839 10.556 -12.255 59 1HZ LYS 7 1HZ LYS 7 7.050 12.350 -10.827 60 2HZ LYS 7 2HZ LYS 7 7.618 11.457 -9.583 61 3HZ LYS 7 3HZ LYS 7 8.564 11.739 -10.884 62 H GLY 8 HN GLY 8 6.688 4.571 -10.181 63 1HA GLY 8 1HA GLY 8 7.900 4.170 -12.651 64 2HA GLY 8 2HA GLY 8 8.029 3.122 -11.252 65 H ILE 9 HN ILE 9 5.551 2.034 -10.865 66 HA ILE 9 HA ILE 9 5.412 0.058 -12.780 67 HB ILE 9 HB ILE 9 3.727 1.002 -10.531 68 1HG1 ILE 9 2HG1 ILE 9 4.969 -1.646 -11.326 69 2HG1 ILE 9 3HG1 ILE 9 5.560 -0.526 -10.114 70 1HG2 ILE 9 1HG2 ILE 9 2.702 -0.887 -12.665 71 2HG2 ILE 9 2HG2 ILE 9 1.999 -0.720 -11.038 72 3HG2 ILE 9 3HG2 ILE 9 1.993 0.665 -12.156 73 1HD1 ILE 9 1HD1 ILE 9 2.979 -2.144 -10.033 74 2HD1 ILE 9 2HD1 ILE 9 4.370 -2.251 -8.927 75 3HD1 ILE 9 3HD1 ILE 9 3.320 -0.814 -8.899 76 H PHE 10 HN PHE 10 3.393 3.044 -12.404 77 HA PHE 10 HA PHE 10 1.656 2.616 -14.464 78 1HB PHE 10 2HB PHE 10 1.472 4.519 -12.935 79 2HB PHE 10 3HB PHE 10 3.091 5.068 -13.318 80 HD1 PHE 10 HD1 PHE 10 -0.394 5.233 -14.211 81 HD2 PHE 10 HD2 PHE 10 3.533 6.102 -15.562 82 HE1 PHE 10 HE1 PHE 10 -1.333 6.803 -15.930 83 HE2 PHE 10 HE2 PHE 10 2.595 7.671 -17.281 84 HZ PHE 10 HZ PHE 10 0.173 8.003 -17.445 85 H GLU 11 HN GLU 11 4.840 4.370 -14.632 86 HA GLU 11 HA GLU 11 4.694 4.784 -17.366 87 1HB GLU 11 2HB GLU 11 6.623 5.167 -15.213 88 2HB GLU 11 3HB GLU 11 7.441 4.610 -16.659 89 1HG GLU 11 2HG GLU 11 5.994 6.427 -17.904 90 2HG GLU 11 3HG GLU 11 5.734 7.096 -16.305 91 H LYS 12 HN LYS 12 5.864 2.042 -15.394 92 HA LYS 12 HA LYS 12 7.326 0.718 -17.341 93 1HB LYS 12 2HB LYS 12 6.459 0.264 -14.688 94 2HB LYS 12 3HB LYS 12 5.917 -1.122 -15.613 95 1HG LYS 12 2HG LYS 12 8.474 -0.755 -16.625 96 2HG LYS 12 3HG LYS 12 8.685 -0.249 -14.961 97 1HD LYS 12 2HD LYS 12 7.104 -2.599 -14.806 98 2HD LYS 12 3HD LYS 12 8.300 -2.947 -16.038 99 1HE LYS 12 2HE LYS 12 10.127 -2.606 -14.548 100 2HE LYS 12 3HE LYS 12 9.160 -1.679 -13.418 101 1HZ LYS 12 1HZ LYS 12 7.908 -4.064 -13.528 102 2HZ LYS 12 2HZ LYS 12 9.484 -4.487 -13.603 103 3HZ LYS 12 3HZ LYS 12 8.939 -3.587 -12.354 104 H TYR 13 HN TYR 13 3.830 1.087 -16.858 105 HA TYR 13 HA TYR 13 3.308 -0.933 -18.897 106 1HB TYR 13 2HB TYR 13 1.845 0.673 -16.768 107 2HB TYR 13 3HB TYR 13 0.891 0.123 -18.132 108 HD1 TYR 13 HD1 TYR 13 3.062 -1.052 -15.346 109 HD2 TYR 13 HD2 TYR 13 0.137 -2.126 -18.277 110 HE1 TYR 13 HE1 TYR 13 2.781 -3.324 -14.242 111 HE2 TYR 13 HE2 TYR 13 -0.135 -4.395 -17.163 112 HH TYR 13 HH TYR 13 1.741 -5.211 -14.254 113 H ALA 14 HN ALA 14 3.039 2.598 -18.255 114 HA ALA 14 HA ALA 14 1.610 3.182 -20.610 115 1HB ALA 14 1HB ALA 14 2.215 4.525 -18.346 116 2HB ALA 14 2HB ALA 14 3.462 5.201 -19.421 117 3HB ALA 14 3HB ALA 14 1.741 5.342 -19.854 118 H ALA 15 HN ALA 15 4.974 2.433 -19.906 119 HA ALA 15 HA ALA 15 5.931 3.636 -22.346 120 1HB ALA 15 1HB ALA 15 7.177 3.443 -20.099 121 2HB ALA 15 2HB ALA 15 7.409 1.726 -20.511 122 3HB ALA 15 3HB ALA 15 8.080 2.993 -21.566 123 H LYS 16 HN LYS 16 4.491 0.644 -21.278 124 HA LYS 16 HA LYS 16 5.693 -1.187 -22.948 125 1HB LYS 16 2HB LYS 16 3.574 -1.142 -21.143 126 2HB LYS 16 3HB LYS 16 2.809 -1.577 -22.659 127 1HG LYS 16 2HG LYS 16 4.729 -3.298 -22.959 128 2HG LYS 16 3HG LYS 16 5.133 -2.987 -21.283 129 1HD LYS 16 2HD LYS 16 3.201 -4.007 -20.472 130 2HD LYS 16 3HD LYS 16 2.248 -3.576 -21.878 131 1HE LYS 16 2HE LYS 16 2.557 -5.947 -22.036 132 2HE LYS 16 3HE LYS 16 3.660 -5.264 -23.214 133 1HZ LYS 16 1HZ LYS 16 4.455 -6.995 -21.476 134 2HZ LYS 16 2HZ LYS 16 5.443 -5.782 -21.944 135 3HZ LYS 16 3HZ LYS 16 4.648 -5.685 -20.521 136 H GLU 17 HN GLU 17 2.551 0.529 -23.598 137 HA GLU 17 HA GLU 17 3.288 0.352 -26.417 138 1HB GLU 17 2HB GLU 17 0.616 0.036 -25.024 139 2HB GLU 17 3HB GLU 17 0.676 0.531 -26.704 140 1HG GLU 17 2HG GLU 17 2.488 -1.635 -26.552 141 2HG GLU 17 3HG GLU 17 1.150 -2.121 -25.530 142 H GLY 18 HN GLY 18 3.347 2.256 -27.588 143 1HA GLY 18 1HA GLY 18 3.190 4.448 -28.060 144 2HA GLY 18 2HA GLY 18 1.803 4.535 -26.993 145 H ASP 19 HN ASP 19 3.154 6.767 -26.831 146 HA ASP 19 HA ASP 19 5.470 6.853 -25.392 147 1HB ASP 19 2HB ASP 19 3.924 8.712 -26.545 148 2HB ASP 19 3HB ASP 19 3.305 8.910 -24.917 149 HA PRO 20 HA PRO 20 4.035 5.752 -21.384 150 1HB PRO 20 2HB PRO 20 6.208 6.480 -19.896 151 2HB PRO 20 3HB PRO 20 6.110 4.966 -20.773 152 1HG PRO 20 2HG PRO 20 7.648 7.399 -21.444 153 2HG PRO 20 3HG PRO 20 7.858 5.767 -22.047 154 1HD PRO 20 2HD PRO 20 6.633 7.963 -23.427 155 2HD PRO 20 3HD PRO 20 6.739 6.304 -23.982 156 H ASN 21 HN ASN 21 4.207 8.782 -22.527 157 HA ASN 21 HA ASN 21 3.737 10.037 -19.991 158 1HB ASN 21 2HB ASN 21 3.969 10.978 -22.872 159 2HB ASN 21 3HB ASN 21 3.258 12.049 -21.681 160 1HD2 ASN 21 1HD2 ASN 21 6.060 9.924 -22.202 161 2HD2 ASN 21 2HD2 ASN 21 7.240 10.911 -21.406 162 H GLN 22 HN GLN 22 2.013 8.602 -22.705 163 HA GLN 22 HA GLN 22 -0.479 9.537 -21.523 164 1HB GLN 22 2HB GLN 22 -1.273 9.257 -24.086 165 2HB GLN 22 3HB GLN 22 -0.665 10.773 -23.452 166 1HG GLN 22 2HG GLN 22 1.594 10.286 -24.301 167 2HG GLN 22 3HG GLN 22 1.104 8.678 -24.797 168 1HE2 GLN 22 1HE2 GLN 22 1.768 9.168 -26.907 169 2HE2 GLN 22 2HE2 GLN 22 0.799 10.115 -27.987 170 H LEU 23 HN LEU 23 -1.733 7.852 -20.847 171 HA LEU 23 HA LEU 23 -0.960 5.192 -21.640 172 1HB LEU 23 2HB LEU 23 -2.180 6.439 -19.390 173 2HB LEU 23 3HB LEU 23 -3.300 5.243 -20.011 174 HG LEU 23 HG LEU 23 -0.671 4.084 -19.929 175 1HD1 LEU 23 1HD1 LEU 23 -0.050 5.700 -18.266 176 2HD1 LEU 23 2HD1 LEU 23 -1.557 5.422 -17.360 177 3HD1 LEU 23 3HD1 LEU 23 -0.329 4.137 -17.462 178 1HD2 LEU 23 1HD2 LEU 23 -3.317 3.559 -18.580 179 2HD2 LEU 23 2HD2 LEU 23 -2.535 2.664 -19.904 180 3HD2 LEU 23 3HD2 LEU 23 -1.876 2.567 -18.254 181 H SER 24 HN SER 24 -2.968 3.617 -22.022 182 HA SER 24 HA SER 24 -4.921 4.931 -23.691 183 1HB SER 24 2HB SER 24 -3.021 2.759 -24.669 184 2HB SER 24 3HB SER 24 -4.515 3.152 -25.495 185 HG SER 24 HG SER 24 -2.283 4.933 -25.010 186 H LYS 25 HN LYS 25 -6.613 3.176 -24.463 187 HA LYS 25 HA LYS 25 -7.665 1.962 -22.217 188 1HB LYS 25 2HB LYS 25 -8.866 2.626 -24.324 189 2HB LYS 25 3HB LYS 25 -8.195 1.209 -25.105 190 1HG LYS 25 2HG LYS 25 -9.193 -0.056 -22.968 191 2HG LYS 25 3HG LYS 25 -10.220 1.360 -22.866 192 1HD LYS 25 2HD LYS 25 -10.128 0.486 -25.629 193 2HD LYS 25 3HD LYS 25 -10.493 -0.899 -24.620 194 1HE LYS 25 2HE LYS 25 -12.628 -0.171 -24.403 195 2HE LYS 25 3HE LYS 25 -12.051 1.268 -23.587 196 1HZ LYS 25 1HZ LYS 25 -13.332 1.397 -25.832 197 2HZ LYS 25 2HZ LYS 25 -12.146 2.464 -25.483 198 3HZ LYS 25 3HZ LYS 25 -11.843 1.201 -26.474 199 H GLU 26 HN GLU 26 -5.980 0.392 -25.033 200 HA GLU 26 HA GLU 26 -5.976 -2.123 -23.937 201 1HB GLU 26 2HB GLU 26 -4.981 -0.862 -26.262 202 2HB GLU 26 3HB GLU 26 -3.572 -1.599 -25.526 203 1HG GLU 26 2HG GLU 26 -6.018 -3.315 -25.563 204 2HG GLU 26 3HG GLU 26 -5.353 -2.940 -27.141 205 H GLU 27 HN GLU 27 -3.593 0.571 -23.643 206 HA GLU 27 HA GLU 27 -1.651 -0.867 -22.318 207 1HB GLU 27 2HB GLU 27 -2.334 1.989 -22.747 208 2HB GLU 27 3HB GLU 27 -1.406 1.695 -21.290 209 1HG GLU 27 2HG GLU 27 0.009 0.125 -23.002 210 2HG GLU 27 3HG GLU 27 -0.623 1.279 -24.160 211 H LEU 28 HN LEU 28 -4.221 1.316 -20.941 212 HA LEU 28 HA LEU 28 -3.663 0.792 -18.285 213 1HB LEU 28 2HB LEU 28 -5.197 2.529 -19.469 214 2HB LEU 28 3HB LEU 28 -6.442 1.310 -19.284 215 HG LEU 28 HG LEU 28 -6.653 1.646 -17.059 216 1HD1 LEU 28 1HD1 LEU 28 -4.489 0.741 -16.464 217 2HD1 LEU 28 2HD1 LEU 28 -3.693 2.273 -16.898 218 3HD1 LEU 28 3HD1 LEU 28 -4.811 2.212 -15.514 219 1HD2 LEU 28 1HD2 LEU 28 -6.292 3.984 -16.404 220 2HD2 LEU 28 2HD2 LEU 28 -5.249 4.220 -17.827 221 3HD2 LEU 28 3HD2 LEU 28 -6.977 3.851 -18.042 222 H LYS 29 HN LYS 29 -5.776 -0.943 -20.634 223 HA LYS 29 HA LYS 29 -7.090 -2.646 -19.011 224 1HB LYS 29 2HB LYS 29 -7.360 -2.537 -21.442 225 2HB LYS 29 3HB LYS 29 -5.789 -3.277 -21.677 226 1HG LYS 29 2HG LYS 29 -6.507 -5.386 -20.946 227 2HG LYS 29 3HG LYS 29 -7.761 -4.725 -19.916 228 1HD LYS 29 2HD LYS 29 -9.233 -5.238 -21.570 229 2HD LYS 29 3HD LYS 29 -8.558 -3.893 -22.468 230 1HE LYS 29 2HE LYS 29 -6.689 -5.853 -23.005 231 2HE LYS 29 3HE LYS 29 -8.139 -6.823 -22.845 232 1HZ LYS 29 1HZ LYS 29 -8.973 -5.968 -24.704 233 2HZ LYS 29 2HZ LYS 29 -8.490 -4.440 -24.386 234 3HZ LYS 29 3HZ LYS 29 -7.444 -5.506 -25.046 235 H LEU 30 HN LEU 30 -3.756 -3.215 -20.344 236 HA LEU 30 HA LEU 30 -3.287 -5.576 -19.011 237 1HB LEU 30 2HB LEU 30 -1.306 -3.411 -19.727 238 2HB LEU 30 3HB LEU 30 -0.920 -5.081 -19.361 239 HG LEU 30 HG LEU 30 -2.193 -3.911 -21.808 240 1HD1 LEU 30 1HD1 LEU 30 -0.046 -4.273 -22.379 241 2HD1 LEU 30 2HD1 LEU 30 0.205 -5.491 -21.106 242 3HD1 LEU 30 3HD1 LEU 30 -0.603 -5.945 -22.625 243 1HD2 LEU 30 1HD2 LEU 30 -2.598 -6.753 -20.846 244 2HD2 LEU 30 2HD2 LEU 30 -3.845 -5.533 -21.200 245 3HD2 LEU 30 3HD2 LEU 30 -2.863 -6.211 -22.521 246 H LEU 31 HN LEU 31 -2.332 -2.222 -17.976 247 HA LEU 31 HA LEU 31 -1.283 -2.875 -15.546 248 1HB LEU 31 2HB LEU 31 -1.491 -0.634 -16.837 249 2HB LEU 31 3HB LEU 31 -2.975 -0.426 -15.929 250 HG LEU 31 HG LEU 31 -0.774 -1.170 -14.177 251 1HD1 LEU 31 1HD1 LEU 31 0.001 1.450 -14.667 252 2HD1 LEU 31 2HD1 LEU 31 0.902 -0.025 -15.091 253 3HD1 LEU 31 3HD1 LEU 31 -0.167 0.740 -16.290 254 1HD2 LEU 31 1HD2 LEU 31 -1.565 0.657 -12.861 255 2HD2 LEU 31 2HD2 LEU 31 -2.427 1.365 -14.248 256 3HD2 LEU 31 3HD2 LEU 31 -2.985 -0.171 -13.543 257 H LEU 32 HN LEU 32 -4.708 -1.768 -16.086 258 HA LEU 32 HA LEU 32 -5.632 -2.273 -13.574 259 1HB LEU 32 2HB LEU 32 -7.136 -2.674 -16.163 260 2HB LEU 32 3HB LEU 32 -7.841 -2.408 -14.581 261 HG LEU 32 HG LEU 32 -6.038 -0.396 -15.946 262 1HD1 LEU 32 1HD1 LEU 32 -8.389 0.778 -16.227 263 2HD1 LEU 32 2HD1 LEU 32 -7.764 -0.360 -17.445 264 3HD1 LEU 32 3HD1 LEU 32 -8.967 -0.905 -16.251 265 1HD2 LEU 32 1HD2 LEU 32 -7.789 0.904 -14.219 266 2HD2 LEU 32 2HD2 LEU 32 -7.305 -0.562 -13.334 267 3HD2 LEU 32 3HD2 LEU 32 -6.065 0.562 -13.939 268 H GLN 33 HN GLN 33 -4.598 -4.553 -16.024 269 HA GLN 33 HA GLN 33 -6.095 -6.726 -15.063 270 1HB GLN 33 2HB GLN 33 -4.549 -6.233 -17.292 271 2HB GLN 33 3HB GLN 33 -3.495 -7.304 -16.390 272 1HG GLN 33 2HG GLN 33 -5.409 -8.936 -16.156 273 2HG GLN 33 3HG GLN 33 -6.400 -7.879 -17.141 274 1HE2 GLN 33 1HE2 GLN 33 -6.236 -7.898 -19.295 275 2HE2 GLN 33 2HE2 GLN 33 -5.144 -8.878 -20.216 276 H THR 34 HN THR 34 -2.518 -6.052 -14.857 277 HA THR 34 HA THR 34 -2.280 -7.909 -12.666 278 HB THR 34 HB THR 34 -0.549 -6.427 -14.575 279 HG1 THR 34 HG1 THR 34 -0.774 -8.722 -14.618 280 1HG2 THR 34 1HG2 THR 34 1.460 -6.842 -13.011 281 2HG2 THR 34 2HG2 THR 34 0.468 -5.419 -12.611 282 3HG2 THR 34 3HG2 THR 34 0.285 -6.922 -11.675 283 H GLU 35 HN GLU 35 -1.939 -4.334 -13.123 284 HA GLU 35 HA GLU 35 -1.205 -3.675 -10.627 285 1HB GLU 35 2HB GLU 35 -1.442 -2.053 -12.460 286 2HB GLU 35 3HB GLU 35 -3.186 -2.231 -12.441 287 1HG GLU 35 2HG GLU 35 -2.377 -1.614 -9.752 288 2HG GLU 35 3HG GLU 35 -1.530 -0.502 -10.809 289 H PHE 36 HN PHE 36 -4.660 -3.838 -11.776 290 HA PHE 36 HA PHE 36 -5.411 -4.909 -9.202 291 1HB PHE 36 2HB PHE 36 -5.834 -2.109 -10.177 292 2HB PHE 36 3HB PHE 36 -7.317 -2.882 -9.655 293 HD1 PHE 36 HD1 PHE 36 -7.851 -2.999 -7.381 294 HD2 PHE 36 HD2 PHE 36 -3.867 -2.089 -8.525 295 HE1 PHE 36 HE1 PHE 36 -7.287 -2.469 -4.994 296 HE2 PHE 36 HE2 PHE 36 -3.303 -1.559 -6.137 297 HZ PHE 36 HZ PHE 36 -5.019 -1.756 -4.400 298 HA PRO 37 HA PRO 37 -7.819 -6.642 -12.555 299 1HB PRO 37 2HB PRO 37 -7.766 -9.230 -11.678 300 2HB PRO 37 3HB PRO 37 -6.583 -8.571 -12.790 301 1HG PRO 37 2HG PRO 37 -6.285 -9.180 -9.912 302 2HG PRO 37 3HG PRO 37 -5.037 -8.934 -11.117 303 1HD PRO 37 2HD PRO 37 -5.878 -7.065 -9.110 304 2HD PRO 37 3HD PRO 37 -4.713 -6.778 -10.386 305 H SER 38 HN SER 38 -8.328 -5.926 -9.436 306 HA SER 38 HA SER 38 -10.829 -7.328 -9.267 307 1HB SER 38 2HB SER 38 -8.963 -6.262 -7.406 308 2HB SER 38 3HB SER 38 -10.420 -5.310 -7.201 309 HG SER 38 HG SER 38 -11.381 -7.732 -7.349 310 H LEU 39 HN LEU 39 -9.512 -4.127 -10.051 311 HA LEU 39 HA LEU 39 -11.931 -2.699 -9.726 312 1HB LEU 39 2HB LEU 39 -9.212 -2.183 -10.422 313 2HB LEU 39 3HB LEU 39 -10.235 -1.471 -11.654 314 HG LEU 39 HG LEU 39 -9.553 -0.036 -9.631 315 1HD1 LEU 39 1HD1 LEU 39 -12.523 -0.115 -10.164 316 2HD1 LEU 39 2HD1 LEU 39 -11.485 1.290 -9.825 317 3HD1 LEU 39 3HD1 LEU 39 -11.346 0.436 -11.380 318 1HD2 LEU 39 1HD2 LEU 39 -11.883 -0.786 -8.088 319 2HD2 LEU 39 2HD2 LEU 39 -10.740 -2.143 -8.220 320 3HD2 LEU 39 3HD2 LEU 39 -10.192 -0.577 -7.575 321 H LEU 40 HN LEU 40 -10.714 -4.934 -12.114 322 HA LEU 40 HA LEU 40 -12.285 -3.922 -14.269 323 1HB LEU 40 2HB LEU 40 -10.806 -6.516 -13.824 324 2HB LEU 40 3HB LEU 40 -11.664 -6.129 -15.302 325 HG LEU 40 HG LEU 40 -9.387 -4.477 -14.178 326 1HD1 LEU 40 1HD1 LEU 40 -9.153 -6.276 -16.577 327 2HD1 LEU 40 2HD1 LEU 40 -7.875 -5.572 -15.557 328 3HD1 LEU 40 3HD1 LEU 40 -8.881 -6.902 -14.933 329 1HD2 LEU 40 1HD2 LEU 40 -9.853 -4.222 -17.016 330 2HD2 LEU 40 2HD2 LEU 40 -11.332 -3.845 -16.100 331 3HD2 LEU 40 3HD2 LEU 40 -9.822 -2.972 -15.749 332 H LYS 41 HN LYS 41 -12.777 -6.049 -11.498 333 HA LYS 41 HA LYS 41 -15.030 -7.397 -12.559 334 1HB LYS 41 2HB LYS 41 -14.034 -7.002 -9.724 335 2HB LYS 41 3HB LYS 41 -15.388 -8.028 -10.154 336 1HG LYS 41 2HG LYS 41 -13.455 -8.886 -11.951 337 2HG LYS 41 3HG LYS 41 -12.475 -8.473 -10.558 338 1HD LYS 41 2HD LYS 41 -13.339 -10.178 -9.266 339 2HD LYS 41 3HD LYS 41 -14.956 -9.999 -9.918 340 1HE LYS 41 2HE LYS 41 -12.796 -11.062 -11.743 341 2HE LYS 41 3HE LYS 41 -13.440 -12.133 -10.515 342 1HZ LYS 41 1HZ LYS 41 -15.129 -12.456 -11.867 343 2HZ LYS 41 2HZ LYS 41 -15.604 -10.908 -11.656 344 3HZ LYS 41 3HZ LYS 41 -14.633 -11.301 -12.909 345 H GLY 42 HN GLY 42 -14.482 -4.339 -10.790 346 1HA GLY 42 1HA GLY 42 -16.891 -3.660 -9.814 347 2HA GLY 42 2HA GLY 42 -15.841 -2.531 -10.649 348 H MET 43 HN MET 43 -18.628 -2.190 -10.715 349 HA MET 43 HA MET 43 -19.747 -3.429 -12.977 350 1HB MET 43 2HB MET 43 -20.504 -0.862 -11.472 351 2HB MET 43 3HB MET 43 -21.547 -1.673 -12.623 352 1HG MET 43 2HG MET 43 -20.431 -3.233 -10.274 353 2HG MET 43 3HG MET 43 -21.801 -2.169 -10.026 354 1HE MET 43 1HE MET 43 -21.821 -5.073 -9.407 355 2HE MET 43 2HE MET 43 -23.460 -4.379 -9.388 356 3HE MET 43 3HE MET 43 -23.146 -5.896 -10.265 357 H SER 44 HN SER 44 -17.271 -1.184 -12.757 358 HA SER 44 HA SER 44 -18.146 0.359 -15.032 359 1HB SER 44 2HB SER 44 -15.579 0.532 -13.391 360 2HB SER 44 3HB SER 44 -16.064 1.667 -14.635 361 HG SER 44 HG SER 44 -17.533 1.116 -12.197 362 H THR 45 HN THR 45 -18.002 -0.924 -16.887 363 HA THR 45 HA THR 45 -15.995 -2.857 -17.282 364 HB THR 45 HB THR 45 -16.986 -2.962 -19.533 365 HG1 THR 45 HG1 THR 45 -18.425 -0.550 -18.741 366 1HG2 THR 45 1HG2 THR 45 -19.551 -2.232 -18.603 367 2HG2 THR 45 2HG2 THR 45 -18.835 -3.859 -18.519 368 3HG2 THR 45 3HG2 THR 45 -18.686 -2.749 -17.136 369 H LEU 46 HN LEU 46 -14.518 -2.780 -19.307 370 HA LEU 46 HA LEU 46 -12.506 -0.989 -18.798 371 1HB LEU 46 2HB LEU 46 -12.656 -3.192 -20.205 372 2HB LEU 46 3HB LEU 46 -12.936 -2.099 -21.546 373 HG LEU 46 HG LEU 46 -10.702 -1.023 -20.257 374 1HD1 LEU 46 1HD1 LEU 46 -10.004 -2.739 -18.943 375 2HD1 LEU 46 2HD1 LEU 46 -10.780 -3.984 -19.951 376 3HD1 LEU 46 3HD1 LEU 46 -9.245 -3.248 -20.471 377 1HD2 LEU 46 1HD2 LEU 46 -10.977 -2.763 -22.718 378 2HD2 LEU 46 2HD2 LEU 46 -10.969 -0.985 -22.624 379 3HD2 LEU 46 3HD2 LEU 46 -9.484 -1.902 -22.272 380 H ASP 47 HN ASP 47 -14.816 -0.864 -21.608 381 HA ASP 47 HA ASP 47 -14.076 1.456 -22.662 382 1HB ASP 47 2HB ASP 47 -16.217 -0.218 -22.970 383 2HB ASP 47 3HB ASP 47 -17.033 1.157 -22.252 384 H GLU 48 HN GLU 48 -16.522 1.015 -19.993 385 HA GLU 48 HA GLU 48 -17.076 3.658 -19.590 386 1HB GLU 48 2HB GLU 48 -17.510 1.135 -18.213 387 2HB GLU 48 3HB GLU 48 -17.152 2.386 -17.039 388 1HG GLU 48 2HG GLU 48 -18.878 3.795 -18.569 389 2HG GLU 48 3HG GLU 48 -19.459 2.191 -18.966 390 H LEU 49 HN LEU 49 -14.460 1.606 -18.178 391 HA LEU 49 HA LEU 49 -13.495 3.584 -16.431 392 1HB LEU 49 2HB LEU 49 -13.066 0.920 -16.847 393 2HB LEU 49 3HB LEU 49 -11.581 1.607 -17.475 394 HG LEU 49 HG LEU 49 -11.658 2.947 -15.162 395 1HD1 LEU 49 1HD1 LEU 49 -12.566 0.470 -13.922 396 2HD1 LEU 49 2HD1 LEU 49 -12.982 2.161 -13.554 397 3HD1 LEU 49 3HD1 LEU 49 -13.855 1.289 -14.836 398 1HD2 LEU 49 1HD2 LEU 49 -9.713 1.864 -15.197 399 2HD2 LEU 49 2HD2 LEU 49 -10.542 0.545 -14.335 400 3HD2 LEU 49 3HD2 LEU 49 -10.397 0.496 -16.109 401 H PHE 50 HN PHE 50 -12.610 2.612 -19.799 402 HA PHE 50 HA PHE 50 -10.449 4.297 -20.093 403 1HB PHE 50 2HB PHE 50 -11.351 2.447 -21.632 404 2HB PHE 50 3HB PHE 50 -12.652 3.524 -22.099 405 HD1 PHE 50 HD1 PHE 50 -12.318 4.074 -24.319 406 HD2 PHE 50 HD2 PHE 50 -8.998 4.162 -21.677 407 HE1 PHE 50 HE1 PHE 50 -10.883 5.012 -26.153 408 HE2 PHE 50 HE2 PHE 50 -7.563 5.099 -23.511 409 HZ PHE 50 HZ PHE 50 -8.523 5.513 -25.727 410 H GLU 51 HN GLU 51 -13.924 4.893 -20.991 411 HA GLU 51 HA GLU 51 -13.437 7.510 -21.806 412 1HB GLU 51 2HB GLU 51 -15.638 5.708 -21.710 413 2HB GLU 51 3HB GLU 51 -16.158 7.135 -20.835 414 1HG GLU 51 2HG GLU 51 -15.596 8.583 -22.736 415 2HG GLU 51 3HG GLU 51 -14.855 7.246 -23.594 416 H GLU 52 HN GLU 52 -14.363 6.037 -18.664 417 HA GLU 52 HA GLU 52 -15.043 8.380 -17.377 418 1HB GLU 52 2HB GLU 52 -15.558 6.172 -16.453 419 2HB GLU 52 3HB GLU 52 -13.855 5.788 -16.299 420 1HG GLU 52 2HG GLU 52 -13.566 7.634 -14.655 421 2HG GLU 52 3HG GLU 52 -15.250 8.082 -14.839 422 H LEU 53 HN LEU 53 -11.874 6.602 -17.481 423 HA LEU 53 HA LEU 53 -10.452 8.365 -15.903 424 1HB LEU 53 2HB LEU 53 -9.486 6.702 -18.234 425 2HB LEU 53 3HB LEU 53 -8.470 7.422 -17.001 426 HG LEU 53 HG LEU 53 -10.658 5.575 -16.127 427 1HD1 LEU 53 1HD1 LEU 53 -9.912 3.787 -17.201 428 2HD1 LEU 53 2HD1 LEU 53 -8.730 4.798 -18.066 429 3HD1 LEU 53 3HD1 LEU 53 -8.286 4.035 -16.521 430 1HD2 LEU 53 1HD2 LEU 53 -9.259 6.812 -14.497 431 2HD2 LEU 53 2HD2 LEU 53 -9.120 5.044 -14.345 432 3HD2 LEU 53 3HD2 LEU 53 -7.823 5.973 -15.134 433 H ASP 54 HN ASP 54 -10.775 8.307 -19.522 434 HA ASP 54 HA ASP 54 -9.368 10.722 -19.777 435 1HB ASP 54 2HB ASP 54 -9.585 8.995 -21.581 436 2HB ASP 54 3HB ASP 54 -11.300 9.335 -21.696 437 H LYS 55 HN LYS 55 -10.308 12.548 -18.786 438 HA LYS 55 HA LYS 55 -13.161 12.992 -19.326 439 1HB LYS 55 2HB LYS 55 -11.828 12.867 -16.881 440 2HB LYS 55 3HB LYS 55 -11.995 14.587 -17.173 441 1HG LYS 55 2HG LYS 55 -14.457 14.194 -17.690 442 2HG LYS 55 3HG LYS 55 -14.244 12.521 -17.212 443 1HD LYS 55 2HD LYS 55 -13.571 13.204 -14.939 444 2HD LYS 55 3HD LYS 55 -13.610 14.895 -15.398 445 1HE LYS 55 2HE LYS 55 -15.733 14.778 -14.502 446 2HE LYS 55 3HE LYS 55 -16.140 14.238 -16.118 447 1HZ LYS 55 1HZ LYS 55 -15.303 12.308 -14.093 448 2HZ LYS 55 2HZ LYS 55 -16.850 12.829 -14.149 449 3HZ LYS 55 3HZ LYS 55 -16.201 12.057 -15.434 450 H ASN 56 HN ASN 56 -9.871 14.070 -19.801 451 HA ASN 56 HA ASN 56 -10.417 16.765 -20.224 452 1HB ASN 56 2HB ASN 56 -8.234 15.112 -21.590 453 2HB ASN 56 3HB ASN 56 -8.194 16.834 -21.264 454 1HD2 ASN 56 1HD2 ASN 56 -8.679 17.363 -18.862 455 2HD2 ASN 56 2HD2 ASN 56 -7.767 16.472 -17.691 456 H GLY 57 HN GLY 57 -9.968 13.928 -22.468 457 1HA GLY 57 1HA GLY 57 -11.481 13.604 -24.287 458 2HA GLY 57 2HA GLY 57 -11.617 15.342 -24.468 459 H ASP 58 HN ASP 58 -8.916 12.903 -24.269 460 HA ASP 58 HA ASP 58 -7.929 14.061 -26.747 461 1HB ASP 58 2HB ASP 58 -6.055 13.126 -24.548 462 2HB ASP 58 3HB ASP 58 -5.676 14.127 -25.935 463 H GLY 59 HN GLY 59 -7.579 11.425 -24.257 464 1HA GLY 59 1HA GLY 59 -8.218 9.183 -25.127 465 2HA GLY 59 2HA GLY 59 -7.129 9.503 -26.462 466 H GLU 60 HN GLU 60 -5.796 11.054 -23.785 467 HA GLU 60 HA GLU 60 -4.107 8.732 -23.298 468 1HB GLU 60 2HB GLU 60 -2.401 10.423 -22.544 469 2HB GLU 60 3HB GLU 60 -2.855 10.587 -24.229 470 1HG GLU 60 2HG GLU 60 -4.414 12.429 -23.665 471 2HG GLU 60 3HG GLU 60 -4.073 12.229 -21.958 472 H VAL 61 HN VAL 61 -4.162 7.776 -21.304 473 HA VAL 61 HA VAL 61 -5.646 9.196 -19.223 474 HB VAL 61 HB VAL 61 -4.958 6.293 -19.687 475 1HG1 VAL 61 1HG1 VAL 61 -5.782 7.697 -17.205 476 2HG1 VAL 61 2HG1 VAL 61 -6.677 6.209 -17.595 477 3HG1 VAL 61 3HG1 VAL 61 -4.906 6.163 -17.423 478 1HG2 VAL 61 1HG2 VAL 61 -6.911 7.595 -20.879 479 2HG2 VAL 61 2HG2 VAL 61 -7.181 5.963 -20.221 480 3HG2 VAL 61 3HG2 VAL 61 -7.728 7.391 -19.311 481 H SER 62 HN SER 62 -3.434 10.530 -19.318 482 HA SER 62 HA SER 62 -1.126 9.449 -18.358 483 1HB SER 62 2HB SER 62 -1.546 12.122 -17.269 484 2HB SER 62 3HB SER 62 -0.428 11.598 -18.512 485 HG SER 62 HG SER 62 -3.127 12.535 -18.787 486 H PHE 63 HN PHE 63 -0.116 9.993 -16.096 487 HA PHE 63 HA PHE 63 -1.388 8.579 -14.157 488 1HB PHE 63 2HB PHE 63 1.033 9.561 -14.375 489 2HB PHE 63 3HB PHE 63 0.382 11.055 -13.730 490 HD1 PHE 63 HD1 PHE 63 0.750 11.403 -11.492 491 HD2 PHE 63 HD2 PHE 63 0.257 7.416 -12.861 492 HE1 PHE 63 HE1 PHE 63 1.117 10.556 -9.158 493 HE2 PHE 63 HE2 PHE 63 0.624 6.570 -10.526 494 HZ PHE 63 HZ PHE 63 1.050 8.150 -8.703 495 H GLU 64 HN GLU 64 -1.841 11.991 -15.064 496 HA GLU 64 HA GLU 64 -2.942 12.956 -12.773 497 1HB GLU 64 2HB GLU 64 -4.360 14.376 -14.514 498 2HB GLU 64 3HB GLU 64 -2.625 14.590 -14.390 499 1HG GLU 64 2HG GLU 64 -2.285 13.822 -16.505 500 2HG GLU 64 3HG GLU 64 -3.258 12.392 -16.220 501 H GLU 65 HN GLU 65 -4.666 11.383 -15.564 502 HA GLU 65 HA GLU 65 -7.139 11.443 -14.252 503 1HB GLU 65 2HB GLU 65 -6.191 9.695 -16.565 504 2HB GLU 65 3HB GLU 65 -7.863 9.914 -16.091 505 1HG GLU 65 2HG GLU 65 -7.581 12.413 -16.469 506 2HG GLU 65 3HG GLU 65 -5.969 12.097 -17.081 507 H PHE 66 HN PHE 66 -4.405 9.169 -14.322 508 HA PHE 66 HA PHE 66 -5.699 6.892 -13.423 509 1HB PHE 66 2HB PHE 66 -3.277 7.290 -14.268 510 2HB PHE 66 3HB PHE 66 -2.911 7.969 -12.694 511 HD1 PHE 66 HD1 PHE 66 -4.480 4.869 -14.082 512 HD2 PHE 66 HD2 PHE 66 -1.878 6.569 -11.193 513 HE1 PHE 66 HE1 PHE 66 -3.940 2.575 -13.218 514 HE2 PHE 66 HE2 PHE 66 -1.339 4.275 -10.329 515 HZ PHE 66 HZ PHE 66 -2.376 2.305 -11.352 516 H GLN 67 HN GLN 67 -4.472 9.771 -11.667 517 HA GLN 67 HA GLN 67 -4.586 8.686 -9.132 518 1HB GLN 67 2HB GLN 67 -5.015 11.573 -10.020 519 2HB GLN 67 3HB GLN 67 -4.688 11.074 -8.372 520 1HG GLN 67 2HG GLN 67 -2.718 9.890 -10.173 521 2HG GLN 67 3HG GLN 67 -2.788 11.623 -10.425 522 1HE2 GLN 67 1HE2 GLN 67 -0.608 11.535 -9.572 523 2HE2 GLN 67 2HE2 GLN 67 -0.339 11.591 -7.862 524 H VAL 68 HN VAL 68 -7.111 9.390 -11.366 525 HA VAL 68 HA VAL 68 -9.109 10.023 -9.416 526 HB VAL 68 HB VAL 68 -9.372 9.167 -12.304 527 1HG1 VAL 68 1HG1 VAL 68 -11.579 9.717 -12.220 528 2HG1 VAL 68 2HG1 VAL 68 -11.372 9.289 -10.504 529 3HG1 VAL 68 3HG1 VAL 68 -11.330 10.996 -11.007 530 1HG2 VAL 68 1HG2 VAL 68 -7.893 11.224 -11.762 531 2HG2 VAL 68 2HG2 VAL 68 -9.179 11.397 -12.981 532 3HG2 VAL 68 3HG2 VAL 68 -9.425 12.023 -11.333 533 H LEU 69 HN LEU 69 -7.898 7.125 -11.144 534 HA LEU 69 HA LEU 69 -10.019 5.478 -10.160 535 1HB LEU 69 2HB LEU 69 -8.444 5.317 -12.293 536 2HB LEU 69 3HB LEU 69 -7.459 4.365 -11.200 537 HG LEU 69 HG LEU 69 -9.485 2.921 -10.761 538 1HD1 LEU 69 1HD1 LEU 69 -11.232 4.461 -11.435 539 2HD1 LEU 69 2HD1 LEU 69 -10.616 4.473 -13.105 540 3HD1 LEU 69 3HD1 LEU 69 -11.306 2.981 -12.422 541 1HD2 LEU 69 1HD2 LEU 69 -7.933 1.889 -12.111 542 2HD2 LEU 69 2HD2 LEU 69 -9.365 1.899 -13.169 543 3HD2 LEU 69 3HD2 LEU 69 -8.077 3.106 -13.402 544 H VAL 70 HN VAL 70 -6.863 6.591 -9.052 545 HA VAL 70 HA VAL 70 -6.126 4.586 -7.346 546 HB VAL 70 HB VAL 70 -5.795 7.542 -7.455 547 1HG1 VAL 70 1HG1 VAL 70 -4.226 7.185 -5.369 548 2HG1 VAL 70 2HG1 VAL 70 -5.956 7.545 -5.150 549 3HG1 VAL 70 3HG1 VAL 70 -5.368 5.872 -4.996 550 1HG2 VAL 70 1HG2 VAL 70 -4.190 6.537 -8.751 551 2HG2 VAL 70 2HG2 VAL 70 -3.327 6.592 -7.195 552 3HG2 VAL 70 3HG2 VAL 70 -4.109 5.084 -7.726 553 H LYS 71 HN LYS 71 -8.839 6.846 -7.133 554 HA LYS 71 HA LYS 71 -9.274 6.481 -4.352 555 1HB LYS 71 2HB LYS 71 -10.129 8.269 -6.231 556 2HB LYS 71 3HB LYS 71 -11.553 7.262 -6.069 557 1HG LYS 71 2HG LYS 71 -10.696 7.630 -3.411 558 2HG LYS 71 3HG LYS 71 -10.403 9.187 -4.159 559 1HD LYS 71 2HD LYS 71 -12.615 9.581 -3.749 560 2HD LYS 71 3HD LYS 71 -12.899 8.602 -5.174 561 1HE LYS 71 2HE LYS 71 -12.774 6.567 -3.468 562 2HE LYS 71 3HE LYS 71 -13.091 7.796 -2.259 563 1HZ LYS 71 1HZ LYS 71 -15.009 8.459 -3.670 564 2HZ LYS 71 2HZ LYS 71 -14.766 7.116 -4.567 565 3HZ LYS 71 3HZ LYS 71 -15.145 6.982 -2.984 566 H LYS 72 HN LYS 72 -10.616 5.019 -7.373 567 HA LYS 72 HA LYS 72 -12.330 3.284 -5.880 568 1HB LYS 72 2HB LYS 72 -11.574 3.422 -8.812 569 2HB LYS 72 3HB LYS 72 -12.722 2.273 -8.155 570 1HG LYS 72 2HG LYS 72 -12.983 5.293 -7.792 571 2HG LYS 72 3HG LYS 72 -13.750 4.413 -9.098 572 1HD LYS 72 2HD LYS 72 -14.522 2.901 -6.911 573 2HD LYS 72 3HD LYS 72 -14.455 4.504 -6.206 574 1HE LYS 72 2HE LYS 72 -15.906 5.355 -8.098 575 2HE LYS 72 3HE LYS 72 -16.030 3.715 -8.704 576 1HZ LYS 72 1HZ LYS 72 -17.690 4.773 -6.935 577 2HZ LYS 72 2HZ LYS 72 -17.435 3.167 -7.082 578 3HZ LYS 72 3HZ LYS 72 -16.657 4.014 -5.923 579 H ILE 73 HN ILE 73 -8.980 3.393 -6.522 580 HA ILE 73 HA ILE 73 -8.572 0.584 -6.805 581 HB ILE 73 HB ILE 73 -6.825 2.985 -6.396 582 1HG1 ILE 73 2HG1 ILE 73 -6.837 0.894 -8.586 583 2HG1 ILE 73 3HG1 ILE 73 -7.804 2.354 -8.644 584 1HG2 ILE 73 1HG2 ILE 73 -4.848 1.521 -6.461 585 2HG2 ILE 73 2HG2 ILE 73 -5.826 1.270 -4.995 586 3HG2 ILE 73 3HG2 ILE 73 -5.908 0.097 -6.332 587 1HD1 ILE 73 1HD1 ILE 73 -4.976 2.868 -7.934 588 2HD1 ILE 73 2HD1 ILE 73 -5.190 2.138 -9.543 589 3HD1 ILE 73 3HD1 ILE 73 -6.008 3.668 -9.143 590 H SER 74 HN SER 74 -8.176 2.995 -4.124 591 HA SER 74 HA SER 74 -7.506 0.956 -2.291 592 1HB SER 74 2HB SER 74 -7.873 3.902 -2.264 593 2HB SER 74 3HB SER 74 -8.286 3.123 -0.749 594 HG SER 74 HG SER 74 -5.767 3.265 -2.090 595 H GLN 75 HN GLN 75 -10.469 2.786 -3.190 596 HA GLN 75 HA GLN 75 -11.995 1.778 -1.057 597 1HB GLN 75 2HB GLN 75 -12.318 3.822 -2.815 598 2HB GLN 75 3HB GLN 75 -13.341 2.633 -3.596 599 1HG GLN 75 2HG GLN 75 -14.619 4.035 -1.973 600 2HG GLN 75 3HG GLN 75 -14.666 2.336 -1.546 601 1HE2 GLN 75 1HE2 GLN 75 -12.328 4.996 -1.122 602 2HE2 GLN 75 2HE2 GLN 75 -12.108 4.823 0.588 Start of MODEL 13 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.254 1.040 -1.518 3 1HB LYS 1 2HB LYS 1 3.426 -1.273 -0.148 4 2HB LYS 1 3HB LYS 1 3.648 -1.328 -1.885 5 1HG LYS 1 2HG LYS 1 4.752 0.810 -1.927 6 2HG LYS 1 3HG LYS 1 4.211 1.213 -0.309 7 1HD LYS 1 2HD LYS 1 5.588 -0.781 0.540 8 2HD LYS 1 3HD LYS 1 6.252 -0.922 -1.075 9 1HE LYS 1 2HE LYS 1 7.111 1.417 -0.942 10 2HE LYS 1 3HE LYS 1 6.416 1.591 0.658 11 1HZ LYS 1 1HZ LYS 1 7.867 -0.656 0.866 12 2HZ LYS 1 2HZ LYS 1 8.795 0.250 -0.127 13 3HZ LYS 1 3HZ LYS 1 8.362 0.826 1.339 14 H SER 2 HN SER 2 0.549 -2.085 -1.034 15 HA SER 2 HA SER 2 0.356 -2.754 -3.701 16 1HB SER 2 2HB SER 2 -0.607 -3.730 -1.208 17 2HB SER 2 3HB SER 2 -2.028 -3.533 -2.214 18 HG SER 2 HG SER 2 0.215 -4.737 -3.463 19 HA PRO 3 HA PRO 3 -2.983 -0.371 -5.197 20 1HB PRO 3 2HB PRO 3 -4.775 -2.090 -6.337 21 2HB PRO 3 3HB PRO 3 -3.274 -1.619 -7.109 22 1HG PRO 3 2HG PRO 3 -3.958 -4.175 -5.790 23 2HG PRO 3 3HG PRO 3 -2.659 -3.834 -6.916 24 1HD PRO 3 2HD PRO 3 -2.428 -4.145 -4.074 25 2HD PRO 3 3HD PRO 3 -1.152 -3.690 -5.186 26 H GLU 4 HN GLU 4 -4.154 -2.985 -3.204 27 HA GLU 4 HA GLU 4 -6.677 -2.068 -2.783 28 1HB GLU 4 2HB GLU 4 -4.969 -4.043 -1.689 29 2HB GLU 4 3HB GLU 4 -5.506 -3.103 -0.311 30 1HG GLU 4 2HG GLU 4 -7.518 -4.000 -2.396 31 2HG GLU 4 3HG GLU 4 -6.978 -5.128 -1.168 32 H GLU 5 HN GLU 5 -3.626 -1.175 -1.051 33 HA GLU 5 HA GLU 5 -4.920 0.526 0.752 34 1HB GLU 5 2HB GLU 5 -2.156 -0.222 0.044 35 2HB GLU 5 3HB GLU 5 -2.287 1.451 0.547 36 1HG GLU 5 2HG GLU 5 -3.897 0.126 2.413 37 2HG GLU 5 3HG GLU 5 -2.598 -1.020 2.145 38 H LEU 6 HN LEU 6 -3.703 0.890 -2.562 39 HA LEU 6 HA LEU 6 -3.521 3.685 -2.593 40 1HB LEU 6 2HB LEU 6 -3.670 1.489 -4.591 41 2HB LEU 6 3HB LEU 6 -4.046 3.106 -5.151 42 HG LEU 6 HG LEU 6 -1.468 2.254 -3.803 43 1HD1 LEU 6 1HD1 LEU 6 -2.217 2.726 -6.685 44 2HD1 LEU 6 2HD1 LEU 6 -0.537 2.864 -6.114 45 3HD1 LEU 6 3HD1 LEU 6 -1.410 1.322 -5.947 46 1HD2 LEU 6 1HD2 LEU 6 -1.655 4.474 -3.184 47 2HD2 LEU 6 2HD2 LEU 6 -0.757 4.584 -4.717 48 3HD2 LEU 6 3HD2 LEU 6 -2.502 4.934 -4.681 49 H LYS 7 HN LYS 7 -6.230 1.386 -3.131 50 HA LYS 7 HA LYS 7 -8.046 3.300 -4.071 51 1HB LYS 7 2HB LYS 7 -8.060 0.650 -4.015 52 2HB LYS 7 3HB LYS 7 -8.946 0.897 -2.524 53 1HG LYS 7 2HG LYS 7 -10.750 0.990 -3.953 54 2HG LYS 7 3HG LYS 7 -10.283 2.674 -4.077 55 1HD LYS 7 2HD LYS 7 -10.331 2.171 -6.335 56 2HD LYS 7 3HD LYS 7 -8.669 1.723 -6.009 57 1HE LYS 7 2HE LYS 7 -9.246 -0.632 -5.818 58 2HE LYS 7 3HE LYS 7 -10.962 -0.277 -5.798 59 1HZ LYS 7 1HZ LYS 7 -9.136 -0.303 -8.030 60 2HZ LYS 7 2HZ LYS 7 -10.706 -0.749 -7.962 61 3HZ LYS 7 3HZ LYS 7 -10.310 0.832 -8.073 62 H GLY 8 HN GLY 8 -7.622 1.861 -0.759 63 1HA GLY 8 1HA GLY 8 -9.500 3.399 0.560 64 2HA GLY 8 2HA GLY 8 -8.057 2.709 1.276 65 H ILE 9 HN ILE 9 -5.918 4.017 0.298 66 HA ILE 9 HA ILE 9 -5.941 6.441 1.607 67 HB ILE 9 HB ILE 9 -4.148 5.030 -0.283 68 1HG1 ILE 9 2HG1 ILE 9 -3.882 6.243 2.478 69 2HG1 ILE 9 3HG1 ILE 9 -3.965 4.543 2.060 70 1HG2 ILE 9 1HG2 ILE 9 -2.577 6.954 -0.333 71 2HG2 ILE 9 2HG2 ILE 9 -4.067 7.223 -1.270 72 3HG2 ILE 9 3HG2 ILE 9 -3.871 7.984 0.328 73 1HD1 ILE 9 1HD1 ILE 9 -1.715 6.494 1.415 74 2HD1 ILE 9 2HD1 ILE 9 -1.639 5.046 2.447 75 3HD1 ILE 9 3HD1 ILE 9 -1.829 4.875 0.685 76 H PHE 10 HN PHE 10 -6.308 5.730 -1.926 77 HA PHE 10 HA PHE 10 -6.423 8.294 -2.847 78 1HB PHE 10 2HB PHE 10 -6.472 6.474 -4.415 79 2HB PHE 10 3HB PHE 10 -7.720 5.625 -3.525 80 HD1 PHE 10 HD1 PHE 10 -10.081 6.300 -3.749 81 HD2 PHE 10 HD2 PHE 10 -7.032 8.127 -6.067 82 HE1 PHE 10 HE1 PHE 10 -11.818 7.210 -5.316 83 HE2 PHE 10 HE2 PHE 10 -8.768 9.036 -7.634 84 HZ PHE 10 HZ PHE 10 -11.141 8.567 -7.240 85 H GLU 11 HN GLU 11 -9.223 6.245 -1.750 86 HA GLU 11 HA GLU 11 -11.099 8.245 -2.116 87 1HB GLU 11 2HB GLU 11 -11.002 5.552 -1.079 88 2HB GLU 11 3HB GLU 11 -11.928 6.535 0.039 89 1HG GLU 11 2HG GLU 11 -12.877 7.402 -2.438 90 2HG GLU 11 3HG GLU 11 -12.590 5.698 -2.726 91 H LYS 12 HN LYS 12 -8.995 7.383 0.663 92 HA LYS 12 HA LYS 12 -10.247 8.991 2.565 93 1HB LYS 12 2HB LYS 12 -8.601 7.181 3.020 94 2HB LYS 12 3HB LYS 12 -7.326 8.197 2.379 95 1HG LYS 12 2HG LYS 12 -8.834 9.751 4.297 96 2HG LYS 12 3HG LYS 12 -8.443 8.209 5.032 97 1HD LYS 12 2HD LYS 12 -6.053 8.895 3.754 98 2HD LYS 12 3HD LYS 12 -6.653 10.449 4.299 99 1HE LYS 12 2HE LYS 12 -5.612 9.853 6.265 100 2HE LYS 12 3HE LYS 12 -7.118 9.006 6.562 101 1HZ LYS 12 1HZ LYS 12 -5.818 7.200 5.156 102 2HZ LYS 12 2HZ LYS 12 -4.544 7.939 5.861 103 3HZ LYS 12 3HZ LYS 12 -5.725 7.292 6.784 104 H TYR 13 HN TYR 13 -8.349 9.767 -0.257 105 HA TYR 13 HA TYR 13 -7.735 12.426 0.773 106 1HB TYR 13 2HB TYR 13 -6.892 10.506 -1.378 107 2HB TYR 13 3HB TYR 13 -6.947 12.170 -1.923 108 HD1 TYR 13 HD1 TYR 13 -5.136 9.721 0.044 109 HD2 TYR 13 HD2 TYR 13 -5.523 13.903 -0.773 110 HE1 TYR 13 HE1 TYR 13 -2.847 10.140 1.068 111 HE2 TYR 13 HE2 TYR 13 -3.232 14.308 0.254 112 HH TYR 13 HH TYR 13 -1.672 13.400 1.582 113 H ALA 14 HN ALA 14 -9.593 10.759 -1.843 114 HA ALA 14 HA ALA 14 -10.515 13.136 -3.031 115 1HB ALA 14 1HB ALA 14 -10.421 10.714 -3.941 116 2HB ALA 14 2HB ALA 14 -11.950 10.468 -3.064 117 3HB ALA 14 3HB ALA 14 -11.849 11.695 -4.349 118 H ALA 15 HN ALA 15 -11.248 11.562 -0.036 119 HA ALA 15 HA ALA 15 -13.948 12.584 0.089 120 1HB ALA 15 1HB ALA 15 -12.184 10.767 1.656 121 2HB ALA 15 2HB ALA 15 -13.380 11.693 2.594 122 3HB ALA 15 3HB ALA 15 -13.917 10.630 1.271 123 H LYS 16 HN LYS 16 -10.669 13.571 0.848 124 HA LYS 16 HA LYS 16 -11.113 15.272 2.976 125 1HB LYS 16 2HB LYS 16 -9.004 14.626 1.201 126 2HB LYS 16 3HB LYS 16 -9.169 16.369 1.145 127 1HG LYS 16 2HG LYS 16 -9.122 16.432 3.663 128 2HG LYS 16 3HG LYS 16 -8.897 14.694 3.687 129 1HD LYS 16 2HD LYS 16 -6.671 14.891 3.268 130 2HD LYS 16 3HD LYS 16 -6.956 15.929 1.885 131 1HE LYS 16 2HE LYS 16 -6.840 17.906 3.162 132 2HE LYS 16 3HE LYS 16 -7.304 17.103 4.649 133 1HZ LYS 16 1HZ LYS 16 -4.825 17.725 4.071 134 2HZ LYS 16 2HZ LYS 16 -5.207 16.456 5.026 135 3HZ LYS 16 3HZ LYS 16 -4.840 16.213 3.453 136 H GLU 17 HN GLU 17 -10.901 16.237 -0.527 137 HA GLU 17 HA GLU 17 -12.795 18.346 0.164 138 1HB GLU 17 2HB GLU 17 -10.405 18.363 -1.709 139 2HB GLU 17 3HB GLU 17 -11.693 19.540 -1.877 140 1HG GLU 17 2HG GLU 17 -11.121 19.542 0.889 141 2HG GLU 17 3HG GLU 17 -9.547 19.403 0.130 142 H GLY 18 HN GLY 18 -14.694 18.421 -1.002 143 1HA GLY 18 1HA GLY 18 -16.242 17.922 -2.555 144 2HA GLY 18 2HA GLY 18 -14.944 17.567 -3.677 145 H ASP 19 HN ASP 19 -16.973 15.946 -4.093 146 HA ASP 19 HA ASP 19 -17.341 13.815 -2.418 147 1HB ASP 19 2HB ASP 19 -18.481 14.571 -4.706 148 2HB ASP 19 3HB ASP 19 -17.334 13.459 -5.426 149 HA PRO 20 HA PRO 20 -13.597 11.597 -3.040 150 1HB PRO 20 2HB PRO 20 -14.285 9.194 -1.935 151 2HB PRO 20 3HB PRO 20 -13.772 10.574 -0.985 152 1HG PRO 20 2HG PRO 20 -16.494 9.477 -1.340 153 2HG PRO 20 3HG PRO 20 -15.900 10.557 -0.095 154 1HD PRO 20 2HD PRO 20 -17.502 11.270 -2.364 155 2HD PRO 20 3HD PRO 20 -16.811 12.365 -1.184 156 H ASN 21 HN ASN 21 -16.311 11.174 -4.780 157 HA ASN 21 HA ASN 21 -15.332 8.825 -6.124 158 1HB ASN 21 2HB ASN 21 -17.784 10.573 -6.695 159 2HB ASN 21 3HB ASN 21 -17.451 9.027 -7.449 160 1HD2 ASN 21 1HD2 ASN 21 -19.742 8.973 -6.403 161 2HD2 ASN 21 2HD2 ASN 21 -19.841 8.210 -4.852 162 H GLN 22 HN GLN 22 -14.439 11.974 -6.100 163 HA GLN 22 HA GLN 22 -13.579 11.875 -8.822 164 1HB GLN 22 2HB GLN 22 -14.448 14.405 -9.004 165 2HB GLN 22 3HB GLN 22 -15.445 13.051 -9.498 166 1HG GLN 22 2HG GLN 22 -16.426 13.016 -7.138 167 2HG GLN 22 3HG GLN 22 -15.544 14.495 -6.810 168 1HE2 GLN 22 1HE2 GLN 22 -17.374 15.700 -6.489 169 2HE2 GLN 22 2HE2 GLN 22 -18.442 16.193 -7.761 170 H LEU 23 HN LEU 23 -11.505 12.663 -8.924 171 HA LEU 23 HA LEU 23 -10.485 13.931 -6.527 172 1HB LEU 23 2HB LEU 23 -9.277 12.626 -8.942 173 2HB LEU 23 3HB LEU 23 -8.305 13.671 -7.925 174 HG LEU 23 HG LEU 23 -8.267 11.127 -7.506 175 1HD1 LEU 23 1HD1 LEU 23 -8.844 12.488 -4.931 176 2HD1 LEU 23 2HD1 LEU 23 -7.431 11.534 -5.443 177 3HD1 LEU 23 3HD1 LEU 23 -7.600 13.226 -5.970 178 1HD2 LEU 23 1HD2 LEU 23 -10.598 10.622 -7.510 179 2HD2 LEU 23 2HD2 LEU 23 -9.998 10.374 -5.853 180 3HD2 LEU 23 3HD2 LEU 23 -10.929 11.838 -6.252 181 H SER 24 HN SER 24 -9.193 15.918 -6.623 182 HA SER 24 HA SER 24 -9.970 17.564 -8.900 183 1HB SER 24 2HB SER 24 -9.697 18.621 -6.061 184 2HB SER 24 3HB SER 24 -10.383 19.445 -7.447 185 HG SER 24 HG SER 24 -12.266 18.657 -6.827 186 H LYS 25 HN LYS 25 -8.470 19.540 -9.151 187 HA LYS 25 HA LYS 25 -5.846 18.704 -9.345 188 1HB LYS 25 2HB LYS 25 -6.870 20.525 -10.655 189 2HB LYS 25 3HB LYS 25 -6.939 21.531 -9.222 190 1HG LYS 25 2HG LYS 25 -4.347 21.043 -9.049 191 2HG LYS 25 3HG LYS 25 -4.489 20.567 -10.730 192 1HD LYS 25 2HD LYS 25 -4.104 22.804 -11.108 193 2HD LYS 25 3HD LYS 25 -5.834 22.929 -10.855 194 1HE LYS 25 2HE LYS 25 -4.128 23.010 -8.386 195 2HE LYS 25 3HE LYS 25 -4.009 24.396 -9.452 196 1HZ LYS 25 1HZ LYS 25 -6.199 23.553 -7.829 197 2HZ LYS 25 2HZ LYS 25 -5.831 25.042 -8.391 198 3HZ LYS 25 3HZ LYS 25 -6.644 23.989 -9.339 199 H GLU 26 HN GLU 26 -7.252 21.052 -6.946 200 HA GLU 26 HA GLU 26 -4.961 21.262 -5.454 201 1HB GLU 26 2HB GLU 26 -7.702 22.115 -5.287 202 2HB GLU 26 3HB GLU 26 -7.255 21.472 -3.719 203 1HG GLU 26 2HG GLU 26 -5.002 22.958 -4.373 204 2HG GLU 26 3HG GLU 26 -6.275 23.909 -5.112 205 H GLU 27 HN GLU 27 -7.598 18.837 -5.378 206 HA GLU 27 HA GLU 27 -6.883 17.691 -2.950 207 1HB GLU 27 2HB GLU 27 -8.696 17.121 -5.180 208 2HB GLU 27 3HB GLU 27 -8.001 15.644 -4.543 209 1HG GLU 27 2HG GLU 27 -8.693 17.292 -2.289 210 2HG GLU 27 3HG GLU 27 -10.063 17.314 -3.382 211 H LEU 28 HN LEU 28 -6.164 16.649 -6.364 212 HA LEU 28 HA LEU 28 -4.572 14.499 -5.739 213 1HB LEU 28 2HB LEU 28 -5.515 15.398 -7.980 214 2HB LEU 28 3HB LEU 28 -4.015 16.300 -8.075 215 HG LEU 28 HG LEU 28 -2.767 14.473 -8.554 216 1HD1 LEU 28 1HD1 LEU 28 -3.168 12.195 -7.697 217 2HD1 LEU 28 2HD1 LEU 28 -3.040 13.403 -6.396 218 3HD1 LEU 28 3HD1 LEU 28 -4.636 12.777 -6.876 219 1HD2 LEU 28 1HD2 LEU 28 -4.992 14.564 -10.002 220 2HD2 LEU 28 2HD2 LEU 28 -3.766 13.293 -10.227 221 3HD2 LEU 28 3HD2 LEU 28 -5.233 12.957 -9.275 222 H LYS 29 HN LYS 29 -3.679 17.984 -6.110 223 HA LYS 29 HA LYS 29 -1.004 17.871 -5.947 224 1HB LYS 29 2HB LYS 29 -2.288 19.935 -6.165 225 2HB LYS 29 3HB LYS 29 -2.852 19.800 -4.512 226 1HG LYS 29 2HG LYS 29 -0.649 20.152 -3.611 227 2HG LYS 29 3HG LYS 29 0.121 19.858 -5.158 228 1HD LYS 29 2HD LYS 29 0.047 22.082 -5.584 229 2HD LYS 29 3HD LYS 29 -1.703 21.994 -5.621 230 1HE LYS 29 2HE LYS 29 -0.921 21.959 -2.854 231 2HE LYS 29 3HE LYS 29 -0.002 23.234 -3.629 232 1HZ LYS 29 1HZ LYS 29 -1.851 24.402 -3.421 233 2HZ LYS 29 2HZ LYS 29 -2.472 23.529 -4.653 234 3HZ LYS 29 3HZ LYS 29 -2.787 23.101 -3.109 235 H LEU 30 HN LEU 30 -3.226 17.861 -3.070 236 HA LEU 30 HA LEU 30 -1.265 17.546 -1.164 237 1HB LEU 30 2HB LEU 30 -4.087 16.466 -1.151 238 2HB LEU 30 3HB LEU 30 -3.060 16.673 0.254 239 HG LEU 30 HG LEU 30 -4.454 18.746 -1.405 240 1HD1 LEU 30 1HD1 LEU 30 -4.110 18.897 1.553 241 2HD1 LEU 30 2HD1 LEU 30 -5.498 19.338 0.530 242 3HD1 LEU 30 3HD1 LEU 30 -5.170 17.627 0.895 243 1HD2 LEU 30 1HD2 LEU 30 -3.016 20.419 0.007 244 2HD2 LEU 30 2HD2 LEU 30 -1.831 19.091 0.004 245 3HD2 LEU 30 3HD2 LEU 30 -2.403 19.778 -1.536 246 H LEU 31 HN LEU 31 -3.236 14.956 -2.785 247 HA LEU 31 HA LEU 31 -2.032 12.802 -1.618 248 1HB LEU 31 2HB LEU 31 -4.018 13.046 -3.280 249 2HB LEU 31 3HB LEU 31 -2.803 12.791 -4.517 250 HG LEU 31 HG LEU 31 -2.591 10.788 -2.417 251 1HD1 LEU 31 1HD1 LEU 31 -4.664 10.013 -2.153 252 2HD1 LEU 31 2HD1 LEU 31 -5.214 11.577 -2.800 253 3HD1 LEU 31 3HD1 LEU 31 -5.041 10.177 -3.885 254 1HD2 LEU 31 1HD2 LEU 31 -1.525 10.197 -4.355 255 2HD2 LEU 31 2HD2 LEU 31 -3.076 9.352 -4.575 256 3HD2 LEU 31 3HD2 LEU 31 -2.782 10.902 -5.400 257 H LEU 32 HN LEU 32 -1.141 14.134 -4.885 258 HA LEU 32 HA LEU 32 1.130 12.658 -5.225 259 1HB LEU 32 2HB LEU 32 0.667 15.510 -6.107 260 2HB LEU 32 3HB LEU 32 1.822 14.386 -6.794 261 HG LEU 32 HG LEU 32 -1.167 13.908 -6.805 262 1HD1 LEU 32 1HD1 LEU 32 -0.895 14.530 -9.293 263 2HD1 LEU 32 2HD1 LEU 32 -0.992 15.840 -8.092 264 3HD1 LEU 32 3HD1 LEU 32 0.585 15.369 -8.770 265 1HD2 LEU 32 1HD2 LEU 32 -0.733 12.194 -8.403 266 2HD2 LEU 32 2HD2 LEU 32 0.981 12.658 -8.532 267 3HD2 LEU 32 3HD2 LEU 32 0.366 11.931 -7.028 268 H GLN 33 HN GLN 33 0.504 15.220 -2.933 269 HA GLN 33 HA GLN 33 3.177 16.015 -2.611 270 1HB GLN 33 2HB GLN 33 0.718 16.939 -1.750 271 2HB GLN 33 3HB GLN 33 1.371 16.277 -0.265 272 1HG GLN 33 2HG GLN 33 3.578 17.586 -1.006 273 2HG GLN 33 3HG GLN 33 2.459 18.519 -1.980 274 1HE2 GLN 33 1HE2 GLN 33 0.931 19.822 -1.036 275 2HE2 GLN 33 2HE2 GLN 33 0.943 20.263 0.639 276 H THR 34 HN THR 34 0.988 13.949 -0.558 277 HA THR 34 HA THR 34 3.310 12.953 0.874 278 HB THR 34 HB THR 34 0.362 13.145 1.236 279 HG1 THR 34 HG1 THR 34 1.789 14.279 2.616 280 1HG2 THR 34 1HG2 THR 34 1.959 10.683 2.078 281 2HG2 THR 34 2HG2 THR 34 0.567 11.263 3.024 282 3HG2 THR 34 3HG2 THR 34 0.340 10.737 1.339 283 H GLU 35 HN GLU 35 0.632 11.619 -1.171 284 HA GLU 35 HA GLU 35 1.347 9.036 -1.132 285 1HB GLU 35 2HB GLU 35 -0.643 9.818 -2.295 286 2HB GLU 35 3HB GLU 35 0.317 10.703 -3.464 287 1HG GLU 35 2HG GLU 35 -0.013 8.802 -4.726 288 2HG GLU 35 3HG GLU 35 1.402 8.251 -3.851 289 H PHE 36 HN PHE 36 2.478 11.414 -3.652 290 HA PHE 36 HA PHE 36 5.075 10.150 -3.604 291 1HB PHE 36 2HB PHE 36 2.970 9.928 -5.754 292 2HB PHE 36 3HB PHE 36 4.581 10.300 -6.335 293 HD1 PHE 36 HD1 PHE 36 2.376 7.710 -5.509 294 HD2 PHE 36 HD2 PHE 36 6.489 8.743 -5.360 295 HE1 PHE 36 HE1 PHE 36 2.983 5.277 -5.387 296 HE2 PHE 36 HE2 PHE 36 7.096 6.310 -5.237 297 HZ PHE 36 HZ PHE 36 5.335 4.606 -5.252 298 HA PRO 37 HA PRO 37 5.358 14.564 -4.254 299 1HB PRO 37 2HB PRO 37 7.516 14.984 -2.630 300 2HB PRO 37 3HB PRO 37 5.859 15.104 -2.072 301 1HG PRO 37 2HG PRO 37 7.825 12.948 -1.593 302 2HG PRO 37 3HG PRO 37 6.346 13.299 -0.721 303 1HD PRO 37 2HD PRO 37 6.751 11.207 -2.641 304 2HD PRO 37 3HD PRO 37 5.243 11.631 -1.856 305 H SER 38 HN SER 38 6.997 11.958 -5.254 306 HA SER 38 HA SER 38 9.243 13.403 -6.280 307 1HB SER 38 2HB SER 38 8.793 10.755 -5.608 308 2HB SER 38 3HB SER 38 8.680 10.691 -7.356 309 HG SER 38 HG SER 38 10.838 10.478 -7.075 310 H LEU 39 HN LEU 39 5.982 12.556 -7.231 311 HA LEU 39 HA LEU 39 6.416 12.606 -10.036 312 1HB LEU 39 2HB LEU 39 4.277 12.103 -8.198 313 2HB LEU 39 3HB LEU 39 3.732 13.258 -9.398 314 HG LEU 39 HG LEU 39 3.344 10.772 -9.858 315 1HD1 LEU 39 1HD1 LEU 39 4.389 12.836 -11.726 316 2HD1 LEU 39 2HD1 LEU 39 4.258 11.171 -12.341 317 3HD1 LEU 39 3HD1 LEU 39 2.820 11.995 -11.693 318 1HD2 LEU 39 1HD2 LEU 39 6.159 10.697 -9.509 319 2HD2 LEU 39 2HD2 LEU 39 5.054 9.365 -9.925 320 3HD2 LEU 39 3HD2 LEU 39 5.822 10.321 -11.216 321 H LEU 40 HN LEU 40 6.165 15.014 -7.519 322 HA LEU 40 HA LEU 40 5.230 17.104 -9.214 323 1HB LEU 40 2HB LEU 40 6.541 17.112 -6.493 324 2HB LEU 40 3HB LEU 40 5.911 18.539 -7.292 325 HG LEU 40 HG LEU 40 4.243 16.116 -6.565 326 1HD1 LEU 40 1HD1 LEU 40 3.316 17.608 -4.771 327 2HD1 LEU 40 2HD1 LEU 40 4.995 17.075 -4.515 328 3HD1 LEU 40 3HD1 LEU 40 4.664 18.726 -5.092 329 1HD2 LEU 40 1HD2 LEU 40 2.603 17.019 -7.752 330 2HD2 LEU 40 2HD2 LEU 40 2.761 18.557 -6.869 331 3HD2 LEU 40 3HD2 LEU 40 3.736 18.264 -8.330 332 H LYS 41 HN LYS 41 8.256 15.467 -8.718 333 HA LYS 41 HA LYS 41 9.757 17.737 -9.756 334 1HB LYS 41 2HB LYS 41 10.917 15.065 -8.986 335 2HB LYS 41 3HB LYS 41 11.697 16.633 -9.030 336 1HG LYS 41 2HG LYS 41 9.941 17.322 -7.200 337 2HG LYS 41 3HG LYS 41 9.675 15.600 -7.010 338 1HD LYS 41 2HD LYS 41 12.477 15.825 -7.017 339 2HD LYS 41 3HD LYS 41 11.961 17.247 -6.133 340 1HE LYS 41 2HE LYS 41 11.499 15.985 -4.306 341 2HE LYS 41 3HE LYS 41 10.358 15.024 -5.226 342 1HZ LYS 41 1HZ LYS 41 12.758 14.131 -6.062 343 2HZ LYS 41 2HZ LYS 41 13.019 14.401 -4.472 344 3HZ LYS 41 3HZ LYS 41 11.815 13.404 -4.944 345 H GLY 42 HN GLY 42 8.080 17.225 -11.692 346 1HA GLY 42 1HA GLY 42 9.652 15.630 -13.612 347 2HA GLY 42 2HA GLY 42 7.923 15.390 -13.458 348 H MET 43 HN MET 43 8.766 16.115 -15.933 349 HA MET 43 HA MET 43 8.892 18.924 -16.226 350 1HB MET 43 2HB MET 43 8.381 16.636 -18.208 351 2HB MET 43 3HB MET 43 8.655 18.296 -18.700 352 1HG MET 43 2HG MET 43 10.792 17.730 -16.929 353 2HG MET 43 3HG MET 43 10.608 16.263 -17.870 354 1HE MET 43 1HE MET 43 12.805 16.456 -18.712 355 2HE MET 43 2HE MET 43 13.366 17.530 -20.016 356 3HE MET 43 3HE MET 43 13.386 18.094 -18.328 357 H SER 44 HN SER 44 6.351 16.872 -15.417 358 HA SER 44 HA SER 44 4.415 18.394 -16.946 359 1HB SER 44 2HB SER 44 4.063 15.918 -15.197 360 2HB SER 44 3HB SER 44 2.786 16.678 -16.126 361 HG SER 44 HG SER 44 3.564 15.003 -17.405 362 H THR 45 HN THR 45 4.129 20.369 -15.892 363 HA THR 45 HA THR 45 4.278 20.692 -13.108 364 HB THR 45 HB THR 45 3.050 22.901 -13.791 365 HG1 THR 45 HG1 THR 45 2.067 22.264 -15.735 366 1HG2 THR 45 1HG2 THR 45 5.228 23.573 -13.994 367 2HG2 THR 45 2HG2 THR 45 5.736 21.939 -14.486 368 3HG2 THR 45 3HG2 THR 45 5.134 23.088 -15.705 369 H LEU 46 HN LEU 46 2.360 21.677 -11.816 370 HA LEU 46 HA LEU 46 0.581 19.656 -11.313 371 1HB LEU 46 2HB LEU 46 1.263 21.772 -9.981 372 2HB LEU 46 3HB LEU 46 -0.078 22.541 -10.805 373 HG LEU 46 HG LEU 46 -1.680 21.197 -9.749 374 1HD1 LEU 46 1HD1 LEU 46 0.584 19.285 -9.257 375 2HD1 LEU 46 2HD1 LEU 46 -0.878 19.232 -8.243 376 3HD1 LEU 46 3HD1 LEU 46 -1.007 18.999 -10.004 377 1HD2 LEU 46 1HD2 LEU 46 -0.102 22.790 -8.277 378 2HD2 LEU 46 2HD2 LEU 46 -1.489 21.898 -7.605 379 3HD2 LEU 46 3HD2 LEU 46 0.160 21.253 -7.418 380 H ASP 47 HN ASP 47 -0.248 22.799 -12.949 381 HA ASP 47 HA ASP 47 -2.732 22.219 -13.695 382 1HB ASP 47 2HB ASP 47 -0.904 24.181 -14.311 383 2HB ASP 47 3HB ASP 47 -1.056 23.403 -15.873 384 H GLU 48 HN GLU 48 0.314 21.443 -15.536 385 HA GLU 48 HA GLU 48 -0.863 20.245 -17.690 386 1HB GLU 48 2HB GLU 48 1.792 20.446 -16.524 387 2HB GLU 48 3HB GLU 48 1.553 18.827 -17.152 388 1HG GLU 48 2HG GLU 48 0.516 20.193 -19.241 389 2HG GLU 48 3HG GLU 48 1.564 21.455 -18.624 390 H LEU 49 HN LEU 49 0.114 18.833 -14.510 391 HA LEU 49 HA LEU 49 -0.486 16.184 -15.171 392 1HB LEU 49 2HB LEU 49 0.680 17.477 -13.088 393 2HB LEU 49 3HB LEU 49 -0.863 17.050 -12.375 394 HG LEU 49 HG LEU 49 -0.166 14.671 -13.516 395 1HD1 LEU 49 1HD1 LEU 49 2.319 14.511 -12.569 396 2HD1 LEU 49 2HD1 LEU 49 1.965 14.955 -14.256 397 3HD1 LEU 49 3HD1 LEU 49 2.337 16.222 -13.062 398 1HD2 LEU 49 1HD2 LEU 49 -0.985 15.079 -11.221 399 2HD2 LEU 49 2HD2 LEU 49 0.366 13.922 -11.278 400 3HD2 LEU 49 3HD2 LEU 49 0.651 15.597 -10.749 401 H PHE 50 HN PHE 50 -2.454 18.826 -13.683 402 HA PHE 50 HA PHE 50 -4.708 17.317 -13.163 403 1HB PHE 50 2HB PHE 50 -4.114 19.732 -12.504 404 2HB PHE 50 3HB PHE 50 -4.445 20.219 -14.154 405 HD1 PHE 50 HD1 PHE 50 -6.314 17.927 -11.878 406 HD2 PHE 50 HD2 PHE 50 -6.341 21.540 -14.103 407 HE1 PHE 50 HE1 PHE 50 -8.731 18.268 -11.293 408 HE2 PHE 50 HE2 PHE 50 -8.758 21.881 -13.518 409 HZ PHE 50 HZ PHE 50 -9.924 20.242 -12.120 410 H GLU 51 HN GLU 51 -3.902 19.306 -16.098 411 HA GLU 51 HA GLU 51 -6.255 18.546 -17.416 412 1HB GLU 51 2HB GLU 51 -3.857 20.163 -17.973 413 2HB GLU 51 3HB GLU 51 -4.425 19.315 -19.398 414 1HG GLU 51 2HG GLU 51 -6.820 20.197 -18.541 415 2HG GLU 51 3HG GLU 51 -5.835 21.408 -17.745 416 H GLU 52 HN GLU 52 -2.943 17.227 -17.222 417 HA GLU 52 HA GLU 52 -3.151 15.556 -19.440 418 1HB GLU 52 2HB GLU 52 -0.995 16.144 -18.408 419 2HB GLU 52 3HB GLU 52 -1.444 15.330 -16.923 420 1HG GLU 52 2HG GLU 52 -1.844 13.289 -18.709 421 2HG GLU 52 3HG GLU 52 -0.574 14.166 -19.540 422 H LEU 53 HN LEU 53 -3.587 14.915 -15.887 423 HA LEU 53 HA LEU 53 -4.276 12.248 -16.129 424 1HB LEU 53 2HB LEU 53 -5.201 14.269 -14.082 425 2HB LEU 53 3HB LEU 53 -5.289 12.527 -13.914 426 HG LEU 53 HG LEU 53 -2.619 13.790 -14.428 427 1HD1 LEU 53 1HD1 LEU 53 -4.265 14.134 -11.972 428 2HD1 LEU 53 2HD1 LEU 53 -2.540 13.747 -11.761 429 3HD1 LEU 53 3HD1 LEU 53 -3.022 15.189 -12.686 430 1HD2 LEU 53 1HD2 LEU 53 -1.784 11.911 -13.179 431 2HD2 LEU 53 2HD2 LEU 53 -3.434 11.428 -12.715 432 3HD2 LEU 53 3HD2 LEU 53 -2.921 11.323 -14.416 433 H ASP 54 HN ASP 54 -6.398 15.190 -16.077 434 HA ASP 54 HA ASP 54 -8.729 13.701 -16.436 435 1HB ASP 54 2HB ASP 54 -8.598 16.059 -15.557 436 2HB ASP 54 3HB ASP 54 -8.149 16.613 -17.158 437 H LYS 55 HN LYS 55 -10.184 14.031 -18.489 438 HA LYS 55 HA LYS 55 -9.123 14.824 -20.921 439 1HB LYS 55 2HB LYS 55 -8.771 12.567 -21.980 440 2HB LYS 55 3HB LYS 55 -7.523 13.080 -20.862 441 1HG LYS 55 2HG LYS 55 -7.885 11.277 -19.534 442 2HG LYS 55 3HG LYS 55 -9.585 11.670 -19.381 443 1HD LYS 55 2HD LYS 55 -9.444 10.681 -21.985 444 2HD LYS 55 3HD LYS 55 -8.261 9.693 -21.150 445 1HE LYS 55 2HE LYS 55 -9.933 9.038 -19.455 446 2HE LYS 55 3HE LYS 55 -11.115 10.129 -20.149 447 1HZ LYS 55 1HZ LYS 55 -10.876 8.827 -22.227 448 2HZ LYS 55 2HZ LYS 55 -9.975 7.738 -21.408 449 3HZ LYS 55 3HZ LYS 55 -11.532 7.993 -20.985 450 H ASN 56 HN ASN 56 -11.245 12.612 -19.070 451 HA ASN 56 HA ASN 56 -13.106 12.142 -21.017 452 1HB ASN 56 2HB ASN 56 -13.814 12.631 -18.086 453 2HB ASN 56 3HB ASN 56 -14.598 11.529 -19.200 454 1HD2 ASN 56 1HD2 ASN 56 -14.114 9.491 -18.990 455 2HD2 ASN 56 2HD2 ASN 56 -12.649 8.814 -18.362 456 H GLY 57 HN GLY 57 -12.221 15.082 -19.391 457 1HA GLY 57 1HA GLY 57 -12.975 17.195 -19.624 458 2HA GLY 57 2HA GLY 57 -14.133 16.635 -20.814 459 H ASP 58 HN ASP 58 -13.535 16.292 -17.237 460 HA ASP 58 HA ASP 58 -16.334 16.990 -16.885 461 1HB ASP 58 2HB ASP 58 -14.876 14.854 -15.265 462 2HB ASP 58 3HB ASP 58 -16.569 15.286 -15.133 463 H GLY 59 HN GLY 59 -13.127 16.325 -15.291 464 1HA GLY 59 1HA GLY 59 -12.046 18.272 -14.265 465 2HA GLY 59 2HA GLY 59 -13.595 18.676 -13.553 466 H GLU 60 HN GLU 60 -13.259 15.274 -13.711 467 HA GLU 60 HA GLU 60 -12.281 15.269 -10.961 468 1HB GLU 60 2HB GLU 60 -13.710 13.220 -10.644 469 2HB GLU 60 3HB GLU 60 -14.630 14.675 -10.971 470 1HG GLU 60 2HG GLU 60 -14.696 14.007 -13.425 471 2HG GLU 60 3HG GLU 60 -13.919 12.498 -12.992 472 H VAL 61 HN VAL 61 -10.451 14.080 -10.567 473 HA VAL 61 HA VAL 61 -9.476 12.445 -12.784 474 HB VAL 61 HB VAL 61 -8.167 13.745 -10.397 475 1HG1 VAL 61 1HG1 VAL 61 -6.637 12.112 -10.418 476 2HG1 VAL 61 2HG1 VAL 61 -7.308 11.399 -11.905 477 3HG1 VAL 61 3HG1 VAL 61 -6.131 12.731 -12.009 478 1HG2 VAL 61 1HG2 VAL 61 -7.360 14.114 -13.269 479 2HG2 VAL 61 2HG2 VAL 61 -8.786 14.969 -12.636 480 3HG2 VAL 61 3HG2 VAL 61 -7.191 15.224 -11.888 481 H SER 62 HN SER 62 -11.551 11.149 -11.711 482 HA SER 62 HA SER 62 -11.325 9.806 -9.405 483 1HB SER 62 2HB SER 62 -12.226 7.962 -11.468 484 2HB SER 62 3HB SER 62 -13.157 8.750 -10.210 485 HG SER 62 HG SER 62 -12.672 9.579 -12.900 486 H PHE 63 HN PHE 63 -10.795 7.363 -9.088 487 HA PHE 63 HA PHE 63 -8.125 6.939 -9.358 488 1HB PHE 63 2HB PHE 63 -9.931 5.702 -7.982 489 2HB PHE 63 3HB PHE 63 -10.389 4.856 -9.447 490 HD1 PHE 63 HD1 PHE 63 -8.569 3.448 -10.607 491 HD2 PHE 63 HD2 PHE 63 -8.238 4.853 -6.616 492 HE1 PHE 63 HE1 PHE 63 -6.843 1.689 -10.130 493 HE2 PHE 63 HE2 PHE 63 -6.512 3.094 -6.140 494 HZ PHE 63 HZ PHE 63 -5.835 1.533 -7.903 495 H GLU 64 HN GLU 64 -10.716 6.334 -11.727 496 HA GLU 64 HA GLU 64 -9.494 4.518 -13.332 497 1HB GLU 64 2HB GLU 64 -10.809 5.851 -15.209 498 2HB GLU 64 3HB GLU 64 -11.682 4.985 -13.960 499 1HG GLU 64 2HG GLU 64 -12.580 6.905 -13.142 500 2HG GLU 64 3HG GLU 64 -11.005 7.664 -13.018 501 H GLU 65 HN GLU 65 -9.280 8.142 -13.531 502 HA GLU 65 HA GLU 65 -7.382 8.024 -15.606 503 1HB GLU 65 2HB GLU 65 -8.133 10.305 -13.725 504 2HB GLU 65 3HB GLU 65 -7.157 10.485 -15.168 505 1HG GLU 65 2HG GLU 65 -9.147 9.392 -16.446 506 2HG GLU 65 3HG GLU 65 -10.084 9.668 -14.991 507 H PHE 66 HN PHE 66 -7.262 7.962 -12.071 508 HA PHE 66 HA PHE 66 -4.674 8.863 -11.674 509 1HB PHE 66 2HB PHE 66 -6.614 8.235 -10.034 510 2HB PHE 66 3HB PHE 66 -6.133 6.564 -10.249 511 HD1 PHE 66 HD1 PHE 66 -4.143 9.688 -9.751 512 HD2 PHE 66 HD2 PHE 66 -5.137 5.824 -8.307 513 HE1 PHE 66 HE1 PHE 66 -2.451 9.939 -7.915 514 HE2 PHE 66 HE2 PHE 66 -3.445 6.075 -6.470 515 HZ PHE 66 HZ PHE 66 -2.122 8.130 -6.296 516 H GLN 67 HN GLN 67 -5.929 5.721 -12.809 517 HA GLN 67 HA GLN 67 -3.666 4.224 -12.308 518 1HB GLN 67 2HB GLN 67 -5.623 3.893 -14.623 519 2HB GLN 67 3HB GLN 67 -4.585 2.646 -13.960 520 1HG GLN 67 2HG GLN 67 -5.810 3.293 -11.667 521 2HG GLN 67 3HG GLN 67 -7.047 3.910 -12.745 522 1HE2 GLN 67 1HE2 GLN 67 -4.918 1.075 -12.382 523 2HE2 GLN 67 2HE2 GLN 67 -6.095 -0.135 -12.769 524 H VAL 68 HN VAL 68 -4.131 6.875 -14.443 525 HA VAL 68 HA VAL 68 -2.285 5.996 -16.455 526 HB VAL 68 HB VAL 68 -3.448 8.726 -15.871 527 1HG1 VAL 68 1HG1 VAL 68 -2.194 9.484 -17.550 528 2HG1 VAL 68 2HG1 VAL 68 -1.442 7.879 -17.715 529 3HG1 VAL 68 3HG1 VAL 68 -2.908 8.275 -18.644 530 1HG2 VAL 68 1HG2 VAL 68 -5.111 6.838 -16.280 531 2HG2 VAL 68 2HG2 VAL 68 -5.215 8.237 -17.376 532 3HG2 VAL 68 3HG2 VAL 68 -4.437 6.732 -17.925 533 H LEU 69 HN LEU 69 -2.255 7.982 -13.472 534 HA LEU 69 HA LEU 69 0.442 8.845 -13.931 535 1HB LEU 69 2HB LEU 69 -1.526 10.000 -12.659 536 2HB LEU 69 3HB LEU 69 -0.997 9.017 -11.309 537 HG LEU 69 HG LEU 69 1.214 10.033 -11.367 538 1HD1 LEU 69 1HD1 LEU 69 1.111 12.231 -13.005 539 2HD1 LEU 69 2HD1 LEU 69 1.953 10.705 -13.368 540 3HD1 LEU 69 3HD1 LEU 69 0.310 10.985 -13.992 541 1HD2 LEU 69 1HD2 LEU 69 -0.774 11.104 -10.172 542 2HD2 LEU 69 2HD2 LEU 69 0.657 12.123 -10.457 543 3HD2 LEU 69 3HD2 LEU 69 -0.778 12.295 -11.495 544 H VAL 70 HN VAL 70 -1.232 6.127 -12.426 545 HA VAL 70 HA VAL 70 0.602 5.292 -10.579 546 HB VAL 70 HB VAL 70 -1.394 3.982 -12.361 547 1HG1 VAL 70 1HG1 VAL 70 -0.877 1.756 -11.479 548 2HG1 VAL 70 2HG1 VAL 70 0.498 2.406 -12.405 549 3HG1 VAL 70 3HG1 VAL 70 0.541 2.410 -10.625 550 1HG2 VAL 70 1HG2 VAL 70 -1.810 5.158 -10.093 551 2HG2 VAL 70 2HG2 VAL 70 -2.558 3.567 -10.373 552 3HG2 VAL 70 3HG2 VAL 70 -1.092 3.697 -9.372 553 H LYS 71 HN LYS 71 0.838 5.373 -14.102 554 HA LYS 71 HA LYS 71 2.943 3.480 -14.285 555 1HB LYS 71 2HB LYS 71 1.229 4.516 -16.065 556 2HB LYS 71 3HB LYS 71 2.574 5.601 -16.352 557 1HG LYS 71 2HG LYS 71 3.933 3.236 -16.292 558 2HG LYS 71 3HG LYS 71 2.375 2.647 -16.839 559 1HD LYS 71 2HD LYS 71 3.781 5.016 -18.149 560 2HD LYS 71 3HD LYS 71 4.036 3.364 -18.675 561 1HE LYS 71 2HE LYS 71 1.190 3.769 -18.458 562 2HE LYS 71 3HE LYS 71 1.848 5.138 -19.330 563 1HZ LYS 71 1HZ LYS 71 1.854 3.778 -21.054 564 2HZ LYS 71 2HZ LYS 71 3.139 3.021 -20.389 565 3HZ LYS 71 3HZ LYS 71 1.633 2.436 -20.152 566 H LYS 72 HN LYS 72 2.752 7.087 -14.115 567 HA LYS 72 HA LYS 72 5.576 7.378 -14.250 568 1HB LYS 72 2HB LYS 72 3.341 9.279 -13.490 569 2HB LYS 72 3HB LYS 72 5.026 9.749 -13.589 570 1HG LYS 72 2HG LYS 72 3.514 8.443 -15.898 571 2HG LYS 72 3HG LYS 72 3.656 10.178 -15.701 572 1HD LYS 72 2HD LYS 72 6.293 9.465 -15.458 573 2HD LYS 72 3HD LYS 72 5.733 8.182 -16.513 574 1HE LYS 72 2HE LYS 72 4.553 10.292 -17.765 575 2HE LYS 72 3HE LYS 72 5.905 11.136 -17.037 576 1HZ LYS 72 1HZ LYS 72 6.176 8.705 -18.664 577 2HZ LYS 72 2HZ LYS 72 6.393 10.221 -19.229 578 3HZ LYS 72 3HZ LYS 72 7.395 9.624 -18.086 579 H ILE 73 HN ILE 73 3.340 6.399 -11.800 580 HA ILE 73 HA ILE 73 4.867 7.401 -9.598 581 HB ILE 73 HB ILE 73 2.451 5.693 -9.978 582 1HG1 ILE 73 2HG1 ILE 73 2.986 8.124 -8.247 583 2HG1 ILE 73 3HG1 ILE 73 2.344 8.185 -9.877 584 1HG2 ILE 73 1HG2 ILE 73 4.290 5.603 -7.628 585 2HG2 ILE 73 2HG2 ILE 73 2.536 5.609 -7.330 586 3HG2 ILE 73 3HG2 ILE 73 3.263 4.333 -8.335 587 1HD1 ILE 73 1HD1 ILE 73 1.062 6.946 -7.412 588 2HD1 ILE 73 2HD1 ILE 73 0.429 8.250 -8.446 589 3HD1 ILE 73 3HD1 ILE 73 0.489 6.580 -9.057 590 H SER 74 HN SER 74 4.544 4.312 -11.413 591 HA SER 74 HA SER 74 6.223 2.911 -9.647 592 1HB SER 74 2HB SER 74 4.470 2.071 -11.445 593 2HB SER 74 3HB SER 74 5.830 2.138 -12.547 594 HG SER 74 HG SER 74 6.924 0.859 -10.622 595 H GLN 75 HN GLN 75 6.663 4.620 -12.799 596 HA GLN 75 HA GLN 75 9.374 3.869 -13.005 597 1HB GLN 75 2HB GLN 75 7.501 4.870 -14.746 598 2HB GLN 75 3HB GLN 75 8.447 6.313 -14.440 599 1HG GLN 75 2HG GLN 75 9.326 5.012 -16.384 600 2HG GLN 75 3HG GLN 75 10.517 5.173 -15.109 601 1HE2 GLN 75 1HE2 GLN 75 7.712 3.055 -15.717 602 2HE2 GLN 75 2HE2 GLN 75 8.526 1.543 -15.488 Start of MODEL 14 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.706 -0.832 -1.847 3 1HB LYS 1 2HB LYS 1 1.904 2.147 -1.377 4 2HB LYS 1 3HB LYS 1 2.545 1.393 -2.823 5 1HG LYS 1 2HG LYS 1 0.350 0.507 -3.428 6 2HG LYS 1 3HG LYS 1 -0.329 0.984 -1.885 7 1HD LYS 1 2HD LYS 1 0.542 3.416 -2.664 8 2HD LYS 1 3HD LYS 1 0.392 2.699 -4.256 9 1HE LYS 1 2HE LYS 1 -1.919 2.567 -4.139 10 2HE LYS 1 3HE LYS 1 -1.925 2.232 -2.419 11 1HZ LYS 1 1HZ LYS 1 -1.527 4.837 -3.706 12 2HZ LYS 1 2HZ LYS 1 -2.755 4.387 -2.727 13 3HZ LYS 1 3HZ LYS 1 -1.254 4.586 -2.115 14 H SER 2 HN SER 2 3.724 1.630 -0.091 15 HA SER 2 HA SER 2 6.056 0.196 -0.844 16 1HB SER 2 2HB SER 2 5.442 2.741 0.639 17 2HB SER 2 3HB SER 2 7.020 2.021 0.889 18 HG SER 2 HG SER 2 7.170 1.961 -1.546 19 HA PRO 3 HA PRO 3 6.599 -2.086 2.821 20 1HB PRO 3 2HB PRO 3 9.309 -2.129 3.172 21 2HB PRO 3 3HB PRO 3 8.475 -3.150 2.017 22 1HG PRO 3 2HG PRO 3 10.097 -0.729 1.518 23 2HG PRO 3 3HG PRO 3 9.621 -1.984 0.390 24 1HD PRO 3 2HD PRO 3 8.482 0.638 0.620 25 2HD PRO 3 3HD PRO 3 7.932 -0.655 -0.426 26 H GLU 4 HN GLU 4 8.983 0.515 3.112 27 HA GLU 4 HA GLU 4 8.966 0.646 5.804 28 1HB GLU 4 2HB GLU 4 9.991 2.178 3.678 29 2HB GLU 4 3HB GLU 4 9.054 3.328 4.610 30 1HG GLU 4 2HG GLU 4 10.777 1.468 6.204 31 2HG GLU 4 3HG GLU 4 11.634 2.631 5.212 32 H GLU 5 HN GLU 5 6.686 2.229 3.495 33 HA GLU 5 HA GLU 5 5.325 3.640 5.494 34 1HB GLU 5 2HB GLU 5 3.993 4.425 3.766 35 2HB GLU 5 3HB GLU 5 5.385 3.890 2.846 36 1HG GLU 5 2HG GLU 5 4.284 1.746 2.328 37 2HG GLU 5 3HG GLU 5 2.932 2.147 3.368 38 H LEU 6 HN LEU 6 4.894 0.422 3.949 39 HA LEU 6 HA LEU 6 2.382 -0.191 4.869 40 1HB LEU 6 2HB LEU 6 4.773 -1.661 3.974 41 2HB LEU 6 3HB LEU 6 3.683 -2.584 4.990 42 HG LEU 6 HG LEU 6 2.798 -1.106 2.499 43 1HD1 LEU 6 1HD1 LEU 6 3.752 -3.951 2.846 44 2HD1 LEU 6 2HD1 LEU 6 2.713 -3.438 1.494 45 3HD1 LEU 6 3HD1 LEU 6 4.327 -2.715 1.701 46 1HD2 LEU 6 1HD2 LEU 6 1.131 -1.697 4.362 47 2HD2 LEU 6 2HD2 LEU 6 0.742 -2.197 2.699 48 3HD2 LEU 6 3HD2 LEU 6 1.375 -3.387 3.861 49 H LYS 7 HN LYS 7 5.559 -0.378 6.555 50 HA LYS 7 HA LYS 7 4.543 -1.638 8.853 51 1HB LYS 7 2HB LYS 7 7.011 -1.164 7.900 52 2HB LYS 7 3HB LYS 7 6.914 0.160 9.044 53 1HG LYS 7 2HG LYS 7 6.100 -1.589 10.777 54 2HG LYS 7 3HG LYS 7 6.588 -2.814 9.623 55 1HD LYS 7 2HD LYS 7 8.793 -2.552 10.126 56 2HD LYS 7 3HD LYS 7 8.701 -0.810 9.964 57 1HE LYS 7 2HE LYS 7 7.456 -2.066 12.411 58 2HE LYS 7 3HE LYS 7 9.205 -1.979 12.334 59 1HZ LYS 7 1HZ LYS 7 8.605 0.460 11.604 60 2HZ LYS 7 2HZ LYS 7 7.284 0.162 12.516 61 3HZ LYS 7 3HZ LYS 7 8.774 0.040 13.173 62 H GLY 8 HN GLY 8 5.247 1.838 8.081 63 1HA GLY 8 1HA GLY 8 4.444 2.936 10.493 64 2HA GLY 8 2HA GLY 8 4.395 3.734 8.933 65 H ILE 9 HN ILE 9 2.483 2.571 7.443 66 HA ILE 9 HA ILE 9 0.120 3.515 8.501 67 HB ILE 9 HB ILE 9 0.817 1.674 6.241 68 1HG1 ILE 9 2HG1 ILE 9 -0.237 4.505 6.453 69 2HG1 ILE 9 3HG1 ILE 9 1.349 3.997 5.909 70 1HG2 ILE 9 1HG2 ILE 9 -1.999 2.563 6.917 71 2HG2 ILE 9 2HG2 ILE 9 -1.479 1.588 5.522 72 3HG2 ILE 9 3HG2 ILE 9 -1.360 0.921 7.168 73 1HD1 ILE 9 1HD1 ILE 9 0.091 4.444 3.916 74 2HD1 ILE 9 2HD1 ILE 9 0.153 2.670 4.051 75 3HD1 ILE 9 3HD1 ILE 9 -1.323 3.547 4.521 76 H PHE 10 HN PHE 10 1.406 0.133 8.376 77 HA PHE 10 HA PHE 10 -0.748 -1.166 9.429 78 1HB PHE 10 2HB PHE 10 1.148 -2.443 8.694 79 2HB PHE 10 3HB PHE 10 2.283 -1.416 9.547 80 HD1 PHE 10 HD1 PHE 10 2.631 -1.699 11.974 81 HD2 PHE 10 HD2 PHE 10 0.114 -4.319 9.781 82 HE1 PHE 10 HE1 PHE 10 2.719 -3.358 13.855 83 HE2 PHE 10 HE2 PHE 10 0.202 -5.978 11.662 84 HZ PHE 10 HZ PHE 10 1.503 -5.478 13.677 85 H GLU 11 HN GLU 11 2.052 0.253 11.269 86 HA GLU 11 HA GLU 11 1.013 -0.391 13.751 87 1HB GLU 11 2HB GLU 11 3.314 0.919 12.701 88 2HB GLU 11 3HB GLU 11 2.607 2.042 13.846 89 1HG GLU 11 2HG GLU 11 2.426 -0.439 15.162 90 2HG GLU 11 3HG GLU 11 3.974 -0.522 14.345 91 H LYS 12 HN LYS 12 0.554 2.439 11.600 92 HA LYS 12 HA LYS 12 -0.654 4.128 13.452 93 1HB LYS 12 2HB LYS 12 0.213 4.543 11.033 94 2HB LYS 12 3HB LYS 12 -1.395 4.060 10.532 95 1HG LYS 12 2HG LYS 12 -2.122 5.797 12.468 96 2HG LYS 12 3HG LYS 12 -0.544 6.475 12.121 97 1HD LYS 12 2HD LYS 12 -1.469 6.133 9.565 98 2HD LYS 12 3HD LYS 12 -2.991 6.377 10.398 99 1HE LYS 12 2HE LYS 12 -1.976 8.474 11.459 100 2HE LYS 12 3HE LYS 12 -0.585 8.257 10.416 101 1HZ LYS 12 1HZ LYS 12 -1.841 9.538 9.093 102 2HZ LYS 12 2HZ LYS 12 -2.496 8.112 8.638 103 3HZ LYS 12 3HZ LYS 12 -3.267 9.055 9.726 104 H TYR 13 HN TYR 13 -1.787 1.220 11.817 105 HA TYR 13 HA TYR 13 -4.546 1.816 12.553 106 1HB TYR 13 2HB TYR 13 -2.949 -0.101 10.816 107 2HB TYR 13 3HB TYR 13 -4.497 -0.682 11.398 108 HD1 TYR 13 HD1 TYR 13 -2.875 1.054 8.797 109 HD2 TYR 13 HD2 TYR 13 -6.537 0.986 11.009 110 HE1 TYR 13 HE1 TYR 13 -4.052 2.270 6.900 111 HE2 TYR 13 HE2 TYR 13 -7.701 2.202 9.104 112 HH TYR 13 HH TYR 13 -7.530 2.758 6.955 113 H ALA 14 HN ALA 14 -1.870 -0.514 13.213 114 HA ALA 14 HA ALA 14 -3.394 -2.158 14.916 115 1HB ALA 14 1HB ALA 14 -1.417 -3.322 15.171 116 2HB ALA 14 2HB ALA 14 -1.035 -2.420 13.685 117 3HB ALA 14 3HB ALA 14 -0.430 -1.843 15.256 118 H ALA 15 HN ALA 15 -1.855 0.984 15.276 119 HA ALA 15 HA ALA 15 -1.765 0.816 18.151 120 1HB ALA 15 1HB ALA 15 -1.450 3.268 16.386 121 2HB ALA 15 2HB ALA 15 -0.800 2.998 18.021 122 3HB ALA 15 3HB ALA 15 -0.141 2.089 16.640 123 H LYS 16 HN LYS 16 -4.052 1.631 15.633 124 HA LYS 16 HA LYS 16 -5.592 3.539 16.894 125 1HB LYS 16 2HB LYS 16 -5.697 2.020 14.549 126 2HB LYS 16 3HB LYS 16 -7.171 1.598 15.397 127 1HG LYS 16 2HG LYS 16 -7.511 4.143 15.768 128 2HG LYS 16 3HG LYS 16 -6.224 4.383 14.603 129 1HD LYS 16 2HD LYS 16 -7.496 3.601 12.811 130 2HD LYS 16 3HD LYS 16 -8.430 2.502 13.807 131 1HE LYS 16 2HE LYS 16 -10.098 4.033 13.926 132 2HE LYS 16 3HE LYS 16 -9.021 5.141 14.753 133 1HZ LYS 16 1HZ LYS 16 -9.865 5.155 12.043 134 2HZ LYS 16 2HZ LYS 16 -9.247 6.369 12.944 135 3HZ LYS 16 3HZ LYS 16 -8.247 5.324 12.186 136 H GLU 17 HN GLU 17 -6.283 -0.033 16.812 137 HA GLU 17 HA GLU 17 -7.522 0.367 19.424 138 1HB GLU 17 2HB GLU 17 -8.253 -1.403 17.083 139 2HB GLU 17 3HB GLU 17 -8.726 -1.881 18.701 140 1HG GLU 17 2HG GLU 17 -9.393 0.868 18.548 141 2HG GLU 17 3HG GLU 17 -9.850 0.217 16.986 142 H GLY 18 HN GLY 18 -6.720 -0.795 21.149 143 1HA GLY 18 1HA GLY 18 -5.439 -2.226 22.316 144 2HA GLY 18 2HA GLY 18 -5.553 -3.339 20.967 145 H ASP 19 HN ASP 19 -3.206 -3.587 22.090 146 HA ASP 19 HA ASP 19 -1.274 -1.715 21.615 147 1HB ASP 19 2HB ASP 19 -1.298 -4.113 22.819 148 2HB ASP 19 3HB ASP 19 -0.657 -4.656 21.281 149 HA PRO 20 HA PRO 20 -0.829 -2.064 17.253 150 1HB PRO 20 2HB PRO 20 1.483 -0.647 16.915 151 2HB PRO 20 3HB PRO 20 -0.089 0.110 17.078 152 1HG PRO 20 2HG PRO 20 2.094 -0.075 19.064 153 2HG PRO 20 3HG PRO 20 0.720 1.013 19.040 154 1HD PRO 20 2HD PRO 20 1.037 -1.317 20.684 155 2HD PRO 20 3HD PRO 20 -0.383 -0.295 20.576 156 H ASN 21 HN ASN 21 0.888 -3.727 19.443 157 HA ASN 21 HA ASN 21 2.804 -4.724 17.555 158 1HB ASN 21 2HB ASN 21 2.219 -5.141 20.500 159 2HB ASN 21 3HB ASN 21 3.160 -6.361 19.664 160 1HD2 ASN 21 1HD2 ASN 21 2.950 -2.957 20.511 161 2HD2 ASN 21 2HD2 ASN 21 4.633 -2.571 20.377 162 H GLN 22 HN GLN 22 -0.458 -5.145 18.062 163 HA GLN 22 HA GLN 22 -0.363 -7.789 16.938 164 1HB GLN 22 2HB GLN 22 -2.348 -8.332 18.656 165 2HB GLN 22 3HB GLN 22 -0.673 -8.663 19.050 166 1HG GLN 22 2HG GLN 22 -1.517 -5.885 19.679 167 2HG GLN 22 3HG GLN 22 -2.397 -7.107 20.575 168 1HE2 GLN 22 1HE2 GLN 22 -1.514 -6.782 22.534 169 2HE2 GLN 22 2HE2 GLN 22 0.143 -7.072 22.944 170 H LEU 23 HN LEU 23 -1.832 -7.925 15.281 171 HA LEU 23 HA LEU 23 -3.665 -5.701 14.986 172 1HB LEU 23 2HB LEU 23 -2.595 -7.858 13.204 173 2HB LEU 23 3HB LEU 23 -4.064 -7.013 12.760 174 HG LEU 23 HG LEU 23 -1.811 -6.183 11.823 175 1HD1 LEU 23 1HD1 LEU 23 -2.609 -3.934 11.674 176 2HD1 LEU 23 2HD1 LEU 23 -4.020 -5.018 11.668 177 3HD1 LEU 23 3HD1 LEU 23 -3.592 -4.123 13.145 178 1HD2 LEU 23 1HD2 LEU 23 -1.620 -5.246 14.681 179 2HD2 LEU 23 2HD2 LEU 23 -0.400 -6.072 13.681 180 3HD2 LEU 23 3HD2 LEU 23 -0.818 -4.373 13.353 181 H SER 24 HN SER 24 -5.961 -6.129 14.323 182 HA SER 24 HA SER 24 -6.931 -8.639 15.406 183 1HB SER 24 2HB SER 24 -7.951 -5.873 16.188 184 2HB SER 24 3HB SER 24 -8.798 -7.363 16.557 185 HG SER 24 HG SER 24 -7.139 -6.307 18.166 186 H LYS 25 HN LYS 25 -9.447 -8.800 14.876 187 HA LYS 25 HA LYS 25 -9.711 -8.650 12.117 188 1HB LYS 25 2HB LYS 25 -10.925 -10.178 13.703 189 2HB LYS 25 3HB LYS 25 -11.939 -8.826 14.165 190 1HG LYS 25 2HG LYS 25 -12.141 -8.653 11.434 191 2HG LYS 25 3HG LYS 25 -11.891 -10.379 11.608 192 1HD LYS 25 2HD LYS 25 -13.998 -8.815 13.172 193 2HD LYS 25 3HD LYS 25 -14.330 -9.642 11.663 194 1HE LYS 25 2HE LYS 25 -14.644 -11.576 12.803 195 2HE LYS 25 3HE LYS 25 -12.970 -11.537 13.319 196 1HZ LYS 25 1HZ LYS 25 -13.687 -10.064 15.133 197 2HZ LYS 25 2HZ LYS 25 -15.243 -10.281 14.689 198 3HZ LYS 25 3HZ LYS 25 -14.360 -11.550 15.214 199 H GLU 26 HN GLU 26 -11.264 -6.597 14.686 200 HA GLU 26 HA GLU 26 -12.480 -4.883 12.918 201 1HB GLU 26 2HB GLU 26 -12.284 -5.159 15.694 202 2HB GLU 26 3HB GLU 26 -11.563 -3.588 15.406 203 1HG GLU 26 2HG GLU 26 -14.054 -4.072 13.854 204 2HG GLU 26 3HG GLU 26 -14.288 -4.079 15.591 205 H GLU 27 HN GLU 27 -9.216 -4.738 14.467 206 HA GLU 27 HA GLU 27 -8.547 -2.236 13.518 207 1HB GLU 27 2HB GLU 27 -7.089 -4.611 14.592 208 2HB GLU 27 3HB GLU 27 -6.117 -3.486 13.664 209 1HG GLU 27 2HG GLU 27 -7.407 -1.669 15.174 210 2HG GLU 27 3HG GLU 27 -7.591 -3.035 16.257 211 H LEU 28 HN LEU 28 -7.662 -5.509 12.189 212 HA LEU 28 HA LEU 28 -6.388 -4.580 9.921 213 1HB LEU 28 2HB LEU 28 -6.678 -6.956 11.031 214 2HB LEU 28 3HB LEU 28 -7.977 -7.109 9.865 215 HG LEU 28 HG LEU 28 -6.536 -7.040 8.032 216 1HD1 LEU 28 1HD1 LEU 28 -4.547 -5.721 9.876 217 2HD1 LEU 28 2HD1 LEU 28 -4.067 -6.427 8.315 218 3HD1 LEU 28 3HD1 LEU 28 -5.258 -5.104 8.365 219 1HD2 LEU 28 1HD2 LEU 28 -4.796 -8.708 8.473 220 2HD2 LEU 28 2HD2 LEU 28 -4.988 -8.451 10.223 221 3HD2 LEU 28 3HD2 LEU 28 -6.329 -9.131 9.271 222 H LYS 29 HN LYS 29 -9.872 -5.312 10.518 223 HA LYS 29 HA LYS 29 -10.917 -5.152 8.061 224 1HB LYS 29 2HB LYS 29 -12.201 -5.502 10.122 225 2HB LYS 29 3HB LYS 29 -11.993 -3.820 10.564 226 1HG LYS 29 2HG LYS 29 -13.461 -3.049 8.915 227 2HG LYS 29 3HG LYS 29 -13.134 -4.392 7.837 228 1HD LYS 29 2HD LYS 29 -14.377 -5.920 9.423 229 2HD LYS 29 3HD LYS 29 -14.766 -4.530 10.417 230 1HE LYS 29 2HE LYS 29 -16.683 -4.816 9.027 231 2HE LYS 29 3HE LYS 29 -15.817 -3.477 8.300 232 1HZ LYS 29 1HZ LYS 29 -14.708 -5.443 7.003 233 2HZ LYS 29 2HZ LYS 29 -16.126 -6.182 7.334 234 3HZ LYS 29 3HZ LYS 29 -16.113 -4.776 6.504 235 H LEU 30 HN LEU 30 -10.196 -2.253 10.134 236 HA LEU 30 HA LEU 30 -10.873 -0.358 8.253 237 1HB LEU 30 2HB LEU 30 -8.722 -0.205 10.369 238 2HB LEU 30 3HB LEU 30 -9.468 1.157 9.556 239 HG LEU 30 HG LEU 30 -10.597 -0.656 11.660 240 1HD1 LEU 30 1HD1 LEU 30 -11.528 1.755 12.269 241 2HD1 LEU 30 2HD1 LEU 30 -9.876 1.245 12.691 242 3HD1 LEU 30 3HD1 LEU 30 -10.153 2.268 11.261 243 1HD2 LEU 30 1HD2 LEU 30 -12.311 0.983 9.772 244 2HD2 LEU 30 2HD2 LEU 30 -12.198 -0.793 9.792 245 3HD2 LEU 30 3HD2 LEU 30 -12.866 0.072 11.197 246 H LEU 31 HN LEU 31 -7.569 -1.701 8.965 247 HA LEU 31 HA LEU 31 -6.220 -0.396 6.982 248 1HB LEU 31 2HB LEU 31 -5.461 -1.992 8.882 249 2HB LEU 31 3HB LEU 31 -5.633 -3.255 7.680 250 HG LEU 31 HG LEU 31 -4.083 -0.990 6.674 251 1HD1 LEU 31 1HD1 LEU 31 -2.496 -2.482 8.678 252 2HD1 LEU 31 2HD1 LEU 31 -2.400 -0.782 8.159 253 3HD1 LEU 31 3HD1 LEU 31 -3.647 -1.288 9.324 254 1HD2 LEU 31 1HD2 LEU 31 -4.271 -3.254 5.644 255 2HD2 LEU 31 2HD2 LEU 31 -2.597 -2.710 5.913 256 3HD2 LEU 31 3HD2 LEU 31 -3.332 -3.904 7.009 257 H LEU 32 HN LEU 32 -7.525 -3.783 6.714 258 HA LEU 32 HA LEU 32 -7.076 -4.116 4.051 259 1HB LEU 32 2HB LEU 32 -9.467 -5.119 5.601 260 2HB LEU 32 3HB LEU 32 -8.824 -5.796 4.118 261 HG LEU 32 HG LEU 32 -7.183 -5.639 6.650 262 1HD1 LEU 32 1HD1 LEU 32 -9.381 -7.499 5.953 263 2HD1 LEU 32 2HD1 LEU 32 -7.885 -8.240 6.569 264 3HD1 LEU 32 3HD1 LEU 32 -8.736 -7.014 7.539 265 1HD2 LEU 32 1HD2 LEU 32 -6.950 -7.284 4.118 266 2HD2 LEU 32 2HD2 LEU 32 -5.867 -5.984 4.670 267 3HD2 LEU 32 3HD2 LEU 32 -5.952 -7.516 5.573 268 H GLN 33 HN GLN 33 -9.337 -1.958 5.629 269 HA GLN 33 HA GLN 33 -11.119 -1.750 3.471 270 1HB GLN 33 2HB GLN 33 -11.099 -0.902 6.093 271 2HB GLN 33 3HB GLN 33 -10.809 0.611 5.257 272 1HG GLN 33 2HG GLN 33 -12.813 0.150 3.792 273 2HG GLN 33 3HG GLN 33 -13.120 -1.312 4.708 274 1HE2 GLN 33 1HE2 GLN 33 -13.805 -1.208 6.840 275 2HE2 GLN 33 2HE2 GLN 33 -14.479 0.222 7.548 276 H THR 34 HN THR 34 -8.649 0.616 4.732 277 HA THR 34 HA THR 34 -8.691 2.024 2.218 278 HB THR 34 HB THR 34 -7.703 2.387 5.000 279 HG1 THR 34 HG1 THR 34 -8.472 4.024 2.686 280 1HG2 THR 34 1HG2 THR 34 -6.085 4.183 4.255 281 2HG2 THR 34 2HG2 THR 34 -5.501 2.543 3.884 282 3HG2 THR 34 3HG2 THR 34 -6.203 3.551 2.595 283 H GLU 35 HN GLU 35 -6.299 0.033 4.068 284 HA GLU 35 HA GLU 35 -4.214 0.249 2.390 285 1HB GLU 35 2HB GLU 35 -4.078 -0.982 4.487 286 2HB GLU 35 3HB GLU 35 -5.206 -2.194 3.915 287 1HG GLU 35 2HG GLU 35 -3.374 -3.378 3.262 288 2HG GLU 35 3HG GLU 35 -3.260 -2.248 1.928 289 H PHE 36 HN PHE 36 -6.721 -2.390 2.208 290 HA PHE 36 HA PHE 36 -6.598 -2.240 -0.673 291 1HB PHE 36 2HB PHE 36 -5.680 -4.566 1.093 292 2HB PHE 36 3HB PHE 36 -6.302 -4.893 -0.512 293 HD1 PHE 36 HD1 PHE 36 -3.413 -4.181 1.354 294 HD2 PHE 36 HD2 PHE 36 -5.171 -3.510 -2.450 295 HE1 PHE 36 HE1 PHE 36 -1.142 -3.735 0.383 296 HE2 PHE 36 HE2 PHE 36 -2.900 -3.064 -3.421 297 HZ PHE 36 HZ PHE 36 -0.913 -3.182 -1.993 298 HA PRO 37 HA PRO 37 -10.715 -3.160 0.825 299 1HB PRO 37 2HB PRO 37 -12.052 -1.493 -0.879 300 2HB PRO 37 3HB PRO 37 -11.516 -1.004 0.717 301 1HG PRO 37 2HG PRO 37 -10.370 -0.308 -1.918 302 2HG PRO 37 3HG PRO 37 -10.132 0.484 -0.373 303 1HD PRO 37 2HD PRO 37 -8.294 -1.271 -1.702 304 2HD PRO 37 3HD PRO 37 -8.107 -0.572 -0.107 305 H SER 38 HN SER 38 -9.136 -3.475 -2.143 306 HA SER 38 HA SER 38 -11.285 -4.705 -3.483 307 1HB SER 38 2HB SER 38 -8.546 -3.946 -4.042 308 2HB SER 38 3HB SER 38 -8.788 -5.601 -4.565 309 HG SER 38 HG SER 38 -10.083 -4.948 -6.156 310 H LEU 39 HN LEU 39 -8.718 -5.749 -1.260 311 HA LEU 39 HA LEU 39 -8.847 -8.499 -1.875 312 1HB LEU 39 2HB LEU 39 -7.323 -6.787 -0.257 313 2HB LEU 39 3HB LEU 39 -8.068 -7.926 0.847 314 HG LEU 39 HG LEU 39 -6.381 -8.646 -1.566 315 1HD1 LEU 39 1HD1 LEU 39 -5.768 -8.675 1.399 316 2HD1 LEU 39 2HD1 LEU 39 -4.763 -9.457 0.155 317 3HD1 LEU 39 3HD1 LEU 39 -4.990 -7.691 0.136 318 1HD2 LEU 39 1HD2 LEU 39 -6.619 -10.856 0.150 319 2HD2 LEU 39 2HD2 LEU 39 -8.266 -10.206 -0.032 320 3HD2 LEU 39 3HD2 LEU 39 -7.322 -10.653 -1.473 321 H LEU 40 HN LEU 40 -10.886 -6.289 -0.066 322 HA LEU 40 HA LEU 40 -12.089 -8.317 1.542 323 1HB LEU 40 2HB LEU 40 -12.844 -5.463 0.911 324 2HB LEU 40 3HB LEU 40 -13.743 -6.489 2.011 325 HG LEU 40 HG LEU 40 -10.801 -5.937 2.410 326 1HD1 LEU 40 1HD1 LEU 40 -12.850 -4.371 3.920 327 2HD1 LEU 40 2HD1 LEU 40 -11.163 -3.970 3.517 328 3HD1 LEU 40 3HD1 LEU 40 -12.428 -3.857 2.269 329 1HD2 LEU 40 1HD2 LEU 40 -12.065 -7.841 3.591 330 2HD2 LEU 40 2HD2 LEU 40 -11.093 -6.729 4.585 331 3HD2 LEU 40 3HD2 LEU 40 -12.863 -6.549 4.520 332 H LYS 41 HN LYS 41 -12.486 -7.032 -1.719 333 HA LYS 41 HA LYS 41 -15.158 -7.943 -2.043 334 1HB LYS 41 2HB LYS 41 -13.022 -7.109 -4.025 335 2HB LYS 41 3HB LYS 41 -14.668 -7.511 -4.470 336 1HG LYS 41 2HG LYS 41 -15.115 -5.726 -2.411 337 2HG LYS 41 3HG LYS 41 -13.618 -5.096 -3.070 338 1HD LYS 41 2HD LYS 41 -14.658 -4.296 -4.931 339 2HD LYS 41 3HD LYS 41 -15.476 -5.818 -5.221 340 1HE LYS 41 2HE LYS 41 -16.952 -5.020 -3.110 341 2HE LYS 41 3HE LYS 41 -16.407 -3.435 -3.623 342 1HZ LYS 41 1HZ LYS 41 -17.139 -4.310 -5.926 343 2HZ LYS 41 2HZ LYS 41 -18.066 -5.337 -5.058 344 3HZ LYS 41 3HZ LYS 41 -18.253 -3.724 -4.884 345 H GLY 42 HN GLY 42 -11.896 -9.328 -2.440 346 1HA GLY 42 1HA GLY 42 -12.256 -11.456 -4.061 347 2HA GLY 42 2HA GLY 42 -11.284 -11.498 -2.603 348 H MET 43 HN MET 43 -12.462 -13.854 -3.393 349 HA MET 43 HA MET 43 -15.035 -14.186 -2.325 350 1HB MET 43 2HB MET 43 -12.806 -16.211 -2.922 351 2HB MET 43 3HB MET 43 -14.480 -16.642 -2.637 352 1HG MET 43 2HG MET 43 -13.759 -14.653 -4.820 353 2HG MET 43 3HG MET 43 -13.644 -16.376 -5.118 354 1HE MET 43 1HE MET 43 -15.896 -16.590 -6.986 355 2HE MET 43 2HE MET 43 -16.882 -15.113 -6.872 356 3HE MET 43 3HE MET 43 -15.107 -14.997 -6.910 357 H SER 44 HN SER 44 -12.121 -13.568 -0.775 358 HA SER 44 HA SER 44 -12.663 -15.351 1.431 359 1HB SER 44 2HB SER 44 -10.408 -13.321 1.151 360 2HB SER 44 3HB SER 44 -10.492 -14.648 2.293 361 HG SER 44 HG SER 44 -10.794 -15.817 -0.069 362 H THR 45 HN THR 45 -14.432 -14.550 2.587 363 HA THR 45 HA THR 45 -14.999 -11.827 2.906 364 HB THR 45 HB THR 45 -16.650 -12.681 4.524 365 HG1 THR 45 HG1 THR 45 -15.218 -15.211 4.236 366 1HG2 THR 45 1HG2 THR 45 -16.915 -15.138 3.130 367 2HG2 THR 45 2HG2 THR 45 -17.744 -13.612 2.742 368 3HG2 THR 45 3HG2 THR 45 -16.204 -14.015 1.946 369 H LEU 46 HN LEU 46 -15.191 -10.780 5.177 370 HA LEU 46 HA LEU 46 -12.660 -10.173 6.029 371 1HB LEU 46 2HB LEU 46 -14.977 -9.056 6.407 372 2HB LEU 46 3HB LEU 46 -15.030 -10.030 7.862 373 HG LEU 46 HG LEU 46 -14.174 -7.612 8.027 374 1HD1 LEU 46 1HD1 LEU 46 -13.517 -8.280 10.037 375 2HD1 LEU 46 2HD1 LEU 46 -13.577 -9.965 9.464 376 3HD1 LEU 46 3HD1 LEU 46 -12.060 -9.041 9.355 377 1HD2 LEU 46 1HD2 LEU 46 -11.526 -8.781 7.196 378 2HD2 LEU 46 2HD2 LEU 46 -12.606 -7.998 6.017 379 3HD2 LEU 46 3HD2 LEU 46 -11.992 -7.077 7.411 380 H ASP 47 HN ASP 47 -15.052 -12.232 7.841 381 HA ASP 47 HA ASP 47 -13.473 -13.059 9.810 382 1HB ASP 47 2HB ASP 47 -15.729 -14.255 8.280 383 2HB ASP 47 3HB ASP 47 -14.766 -15.428 9.156 384 H GLU 48 HN GLU 48 -13.738 -14.493 6.480 385 HA GLU 48 HA GLU 48 -12.032 -16.596 6.838 386 1HB GLU 48 2HB GLU 48 -13.268 -15.181 4.619 387 2HB GLU 48 3HB GLU 48 -11.632 -15.632 4.184 388 1HG GLU 48 2HG GLU 48 -12.372 -17.970 5.319 389 2HG GLU 48 3HG GLU 48 -13.970 -17.399 4.882 390 H LEU 49 HN LEU 49 -11.317 -13.183 5.881 391 HA LEU 49 HA LEU 49 -8.567 -13.613 5.477 392 1HB LEU 49 2HB LEU 49 -10.358 -11.601 5.009 393 2HB LEU 49 3HB LEU 49 -9.429 -10.937 6.339 394 HG LEU 49 HG LEU 49 -7.394 -11.780 4.783 395 1HD1 LEU 49 1HD1 LEU 49 -9.702 -11.260 2.906 396 2HD1 LEU 49 2HD1 LEU 49 -8.000 -11.089 2.414 397 3HD1 LEU 49 3HD1 LEU 49 -8.612 -12.666 2.968 398 1HD2 LEU 49 1HD2 LEU 49 -7.119 -9.621 5.353 399 2HD2 LEU 49 2HD2 LEU 49 -7.755 -9.314 3.720 400 3HD2 LEU 49 3HD2 LEU 49 -8.840 -9.226 5.128 401 H PHE 50 HN PHE 50 -10.552 -12.662 8.325 402 HA PHE 50 HA PHE 50 -8.451 -12.015 10.011 403 1HB PHE 50 2HB PHE 50 -10.987 -11.702 10.301 404 2HB PHE 50 3HB PHE 50 -11.125 -13.424 10.594 405 HD1 PHE 50 HD1 PHE 50 -8.481 -11.146 11.863 406 HD2 PHE 50 HD2 PHE 50 -11.898 -13.480 12.803 407 HE1 PHE 50 HE1 PHE 50 -8.069 -10.764 14.309 408 HE2 PHE 50 HE2 PHE 50 -11.486 -13.098 15.250 409 HZ PHE 50 HZ PHE 50 -9.576 -11.745 15.973 410 H GLU 51 HN GLU 51 -10.208 -15.172 9.600 411 HA GLU 51 HA GLU 51 -8.567 -16.491 11.439 412 1HB GLU 51 2HB GLU 51 -10.760 -17.159 9.589 413 2HB GLU 51 3HB GLU 51 -9.593 -18.460 9.726 414 1HG GLU 51 2HG GLU 51 -9.819 -18.488 12.172 415 2HG GLU 51 3HG GLU 51 -10.828 -17.056 12.140 416 H GLU 52 HN GLU 52 -8.531 -16.163 7.845 417 HA GLU 52 HA GLU 52 -6.509 -17.990 7.395 418 1HB GLU 52 2HB GLU 52 -8.000 -17.019 5.642 419 2HB GLU 52 3HB GLU 52 -7.195 -15.472 5.814 420 1HG GLU 52 2HG GLU 52 -5.036 -16.490 5.122 421 2HG GLU 52 3HG GLU 52 -5.793 -18.067 5.015 422 H LEU 53 HN LEU 53 -6.333 -14.363 7.662 423 HA LEU 53 HA LEU 53 -3.603 -14.136 7.449 424 1HB LEU 53 2HB LEU 53 -5.502 -12.461 9.098 425 2HB LEU 53 3HB LEU 53 -3.887 -11.993 8.606 426 HG LEU 53 HG LEU 53 -5.813 -12.763 6.456 427 1HD1 LEU 53 1HD1 LEU 53 -6.667 -10.980 8.390 428 2HD1 LEU 53 2HD1 LEU 53 -6.001 -9.925 7.120 429 3HD1 LEU 53 3HD1 LEU 53 -7.276 -11.101 6.721 430 1HD2 LEU 53 1HD2 LEU 53 -3.253 -11.517 6.653 431 2HD2 LEU 53 2HD2 LEU 53 -4.183 -11.947 5.197 432 3HD2 LEU 53 3HD2 LEU 53 -4.397 -10.348 5.950 433 H ASP 54 HN ASP 54 -5.575 -14.395 10.493 434 HA ASP 54 HA ASP 54 -3.296 -14.589 12.094 435 1HB ASP 54 2HB ASP 54 -5.858 -14.066 12.629 436 2HB ASP 54 3HB ASP 54 -5.960 -15.798 12.873 437 H LYS 55 HN LYS 55 -2.261 -16.328 10.569 438 HA LYS 55 HA LYS 55 -3.340 -18.912 10.455 439 1HB LYS 55 2HB LYS 55 -1.625 -17.925 8.915 440 2HB LYS 55 3HB LYS 55 -0.438 -18.075 10.195 441 1HG LYS 55 2HG LYS 55 -0.057 -20.163 9.363 442 2HG LYS 55 3HG LYS 55 -1.536 -20.617 10.185 443 1HD LYS 55 2HD LYS 55 -2.687 -19.697 7.949 444 2HD LYS 55 3HD LYS 55 -1.105 -19.997 7.258 445 1HE LYS 55 2HE LYS 55 -2.100 -22.079 6.912 446 2HE LYS 55 3HE LYS 55 -1.340 -22.361 8.466 447 1HZ LYS 55 1HZ LYS 55 -3.461 -21.695 9.487 448 2HZ LYS 55 2HZ LYS 55 -4.144 -21.622 8.005 449 3HZ LYS 55 3HZ LYS 55 -3.583 -23.045 8.576 450 H ASN 56 HN ASN 56 -1.794 -17.114 13.003 451 HA ASN 56 HA ASN 56 -0.863 -19.455 14.342 452 1HB ASN 56 2HB ASN 56 -1.046 -16.498 15.079 453 2HB ASN 56 3HB ASN 56 -0.535 -17.693 16.255 454 1HD2 ASN 56 1HD2 ASN 56 1.295 -19.047 15.750 455 2HD2 ASN 56 2HD2 ASN 56 2.586 -18.448 14.762 456 H GLY 57 HN GLY 57 -1.593 -19.414 16.914 457 1HA GLY 57 1HA GLY 57 -4.550 -19.291 16.910 458 2HA GLY 57 2HA GLY 57 -3.605 -20.510 17.741 459 H ASP 58 HN ASP 58 -3.435 -16.879 17.487 460 HA ASP 58 HA ASP 58 -3.462 -16.873 20.404 461 1HB ASP 58 2HB ASP 58 -2.117 -14.724 18.734 462 2HB ASP 58 3HB ASP 58 -1.866 -15.092 20.429 463 H GLY 59 HN GLY 59 -3.939 -14.897 17.377 464 1HA GLY 59 1HA GLY 59 -6.269 -14.092 17.087 465 2HA GLY 59 2HA GLY 59 -6.169 -13.500 18.733 466 H GLU 60 HN GLU 60 -3.058 -13.176 17.567 467 HA GLU 60 HA GLU 60 -3.617 -10.419 16.831 468 1HB GLU 60 2HB GLU 60 -0.929 -11.588 17.651 469 2HB GLU 60 3HB GLU 60 -1.371 -9.894 17.569 470 1HG GLU 60 2HG GLU 60 -1.707 -10.183 19.832 471 2HG GLU 60 3HG GLU 60 -3.291 -10.709 19.296 472 H VAL 61 HN VAL 61 -3.281 -9.745 14.748 473 HA VAL 61 HA VAL 61 -1.954 -11.653 12.970 474 HB VAL 61 HB VAL 61 -3.917 -9.404 12.525 475 1HG1 VAL 61 1HG1 VAL 61 -2.003 -10.630 10.655 476 2HG1 VAL 61 2HG1 VAL 61 -3.692 -10.676 10.097 477 3HG1 VAL 61 3HG1 VAL 61 -2.936 -9.121 10.519 478 1HG2 VAL 61 1HG2 VAL 61 -4.514 -11.857 13.328 479 2HG2 VAL 61 2HG2 VAL 61 -5.508 -11.013 12.117 480 3HG2 VAL 61 3HG2 VAL 61 -4.313 -12.226 11.599 481 H SER 62 HN SER 62 -0.152 -10.403 14.601 482 HA SER 62 HA SER 62 0.731 -7.950 14.073 483 1HB SER 62 2HB SER 62 3.031 -9.717 14.058 484 2HB SER 62 3HB SER 62 2.465 -8.660 15.336 485 HG SER 62 HG SER 62 1.803 -11.414 14.847 486 H PHE 63 HN PHE 63 2.706 -7.231 12.706 487 HA PHE 63 HA PHE 63 2.136 -7.369 10.055 488 1HB PHE 63 2HB PHE 63 3.746 -5.844 11.367 489 2HB PHE 63 3HB PHE 63 4.894 -7.167 11.405 490 HD1 PHE 63 HD1 PHE 63 2.757 -5.769 8.675 491 HD2 PHE 63 HD2 PHE 63 6.675 -6.671 10.033 492 HE1 PHE 63 HE1 PHE 63 3.694 -5.019 6.470 493 HE2 PHE 63 HE2 PHE 63 7.612 -5.922 7.828 494 HZ PHE 63 HZ PHE 63 6.110 -5.105 6.073 495 H GLU 64 HN GLU 64 4.008 -9.663 12.040 496 HA GLU 64 HA GLU 64 5.435 -10.928 10.112 497 1HB GLU 64 2HB GLU 64 4.964 -13.027 11.664 498 2HB GLU 64 3HB GLU 64 5.913 -11.679 12.258 499 1HG GLU 64 2HG GLU 64 4.374 -11.190 13.858 500 2HG GLU 64 3HG GLU 64 3.070 -11.163 12.688 501 H GLU 65 HN GLU 65 2.059 -11.702 11.219 502 HA GLU 65 HA GLU 65 1.746 -13.693 9.261 503 1HB GLU 65 2HB GLU 65 -0.296 -12.185 10.952 504 2HB GLU 65 3HB GLU 65 -0.686 -13.572 9.953 505 1HG GLU 65 2HG GLU 65 1.147 -14.855 11.245 506 2HG GLU 65 3HG GLU 65 1.193 -13.498 12.353 507 H PHE 66 HN PHE 66 1.321 -10.188 9.356 508 HA PHE 66 HA PHE 66 -0.519 -9.879 7.308 509 1HB PHE 66 2HB PHE 66 0.657 -8.226 9.012 510 2HB PHE 66 3HB PHE 66 1.953 -8.142 7.836 511 HD1 PHE 66 HD1 PHE 66 -1.778 -8.074 7.566 512 HD2 PHE 66 HD2 PHE 66 1.902 -6.148 6.696 513 HE1 PHE 66 HE1 PHE 66 -3.014 -6.270 6.334 514 HE2 PHE 66 HE2 PHE 66 0.666 -4.344 5.464 515 HZ PHE 66 HZ PHE 66 -1.777 -4.427 5.297 516 H GLN 67 HN GLN 67 2.999 -10.530 7.253 517 HA GLN 67 HA GLN 67 3.443 -9.819 4.623 518 1HB GLN 67 2HB GLN 67 4.811 -11.971 6.299 519 2HB GLN 67 3HB GLN 67 5.449 -11.310 4.807 520 1HG GLN 67 2HG GLN 67 4.906 -9.001 6.256 521 2HG GLN 67 3HG GLN 67 5.379 -10.112 7.525 522 1HE2 GLN 67 1HE2 GLN 67 6.865 -7.895 6.925 523 2HE2 GLN 67 2HE2 GLN 67 8.391 -8.341 6.237 524 H VAL 68 HN VAL 68 1.511 -12.339 5.934 525 HA VAL 68 HA VAL 68 1.931 -14.235 3.837 526 HB VAL 68 HB VAL 68 -0.258 -13.965 5.908 527 1HG1 VAL 68 1HG1 VAL 68 -1.234 -15.779 5.047 528 2HG1 VAL 68 2HG1 VAL 68 -0.154 -15.621 3.642 529 3HG1 VAL 68 3HG1 VAL 68 0.310 -16.663 5.008 530 1HG2 VAL 68 1HG2 VAL 68 1.688 -14.233 7.163 531 2HG2 VAL 68 2HG2 VAL 68 1.127 -15.909 6.945 532 3HG2 VAL 68 3HG2 VAL 68 2.455 -15.277 5.942 533 H LEU 69 HN LEU 69 -0.304 -11.527 4.546 534 HA LEU 69 HA LEU 69 -2.008 -12.154 2.339 535 1HB LEU 69 2HB LEU 69 -2.468 -10.886 4.586 536 2HB LEU 69 3HB LEU 69 -1.902 -9.487 3.695 537 HG LEU 69 HG LEU 69 -3.653 -9.862 1.990 538 1HD1 LEU 69 1HD1 LEU 69 -4.751 -11.777 1.797 539 2HD1 LEU 69 2HD1 LEU 69 -3.813 -12.429 3.162 540 3HD1 LEU 69 3HD1 LEU 69 -5.375 -11.629 3.457 541 1HD2 LEU 69 1HD2 LEU 69 -3.970 -8.909 4.637 542 2HD2 LEU 69 2HD2 LEU 69 -4.883 -8.454 3.179 543 3HD2 LEU 69 3HD2 LEU 69 -5.462 -9.782 4.213 544 H VAL 70 HN VAL 70 0.889 -10.173 2.945 545 HA VAL 70 HA VAL 70 0.793 -8.452 0.825 546 HB VAL 70 HB VAL 70 2.946 -9.813 2.377 547 1HG1 VAL 70 1HG1 VAL 70 3.845 -9.825 0.098 548 2HG1 VAL 70 2HG1 VAL 70 3.486 -8.089 -0.066 549 3HG1 VAL 70 3HG1 VAL 70 4.701 -8.640 1.113 550 1HG2 VAL 70 1HG2 VAL 70 2.479 -6.866 1.850 551 2HG2 VAL 70 2HG2 VAL 70 1.651 -7.767 3.143 552 3HG2 VAL 70 3HG2 VAL 70 3.425 -7.617 3.158 553 H LYS 71 HN LYS 71 1.139 -11.952 0.841 554 HA LYS 71 HA LYS 71 2.337 -12.154 -1.720 555 1HB LYS 71 2HB LYS 71 1.907 -13.856 0.386 556 2HB LYS 71 3HB LYS 71 0.703 -14.416 -0.758 557 1HG LYS 71 2HG LYS 71 3.022 -13.958 -2.324 558 2HG LYS 71 3HG LYS 71 3.620 -14.699 -0.853 559 1HD LYS 71 2HD LYS 71 1.164 -15.994 -1.897 560 2HD LYS 71 3HD LYS 71 2.510 -16.063 -3.018 561 1HE LYS 71 2HE LYS 71 3.811 -16.731 -0.702 562 2HE LYS 71 3HE LYS 71 2.212 -17.341 -0.324 563 1HZ LYS 71 1HZ LYS 71 4.090 -18.278 -2.262 564 2HZ LYS 71 2HZ LYS 71 2.897 -19.085 -1.492 565 3HZ LYS 71 3HZ LYS 71 2.558 -18.198 -2.821 566 H LYS 72 HN LYS 72 -1.044 -12.203 -0.465 567 HA LYS 72 HA LYS 72 -2.171 -12.735 -3.009 568 1HB LYS 72 2HB LYS 72 -3.347 -11.681 -0.422 569 2HB LYS 72 3HB LYS 72 -4.299 -12.054 -1.844 570 1HG LYS 72 2HG LYS 72 -2.416 -14.082 -0.563 571 2HG LYS 72 3HG LYS 72 -4.093 -13.923 -0.079 572 1HD LYS 72 2HD LYS 72 -4.349 -14.061 -2.830 573 2HD LYS 72 3HD LYS 72 -2.942 -15.075 -2.574 574 1HE LYS 72 2HE LYS 72 -4.168 -16.734 -1.580 575 2HE LYS 72 3HE LYS 72 -5.087 -15.603 -0.607 576 1HZ LYS 72 1HZ LYS 72 -5.934 -15.168 -3.146 577 2HZ LYS 72 2HZ LYS 72 -5.779 -16.792 -3.071 578 3HZ LYS 72 3HZ LYS 72 -6.731 -16.012 -1.998 579 H ILE 73 HN ILE 73 -1.181 -9.817 -1.221 580 HA ILE 73 HA ILE 73 -2.554 -8.042 -2.982 581 HB ILE 73 HB ILE 73 -0.558 -7.759 -0.763 582 1HG1 ILE 73 2HG1 ILE 73 -3.224 -6.392 -0.973 583 2HG1 ILE 73 3HG1 ILE 73 -3.160 -8.095 -0.565 584 1HG2 ILE 73 1HG2 ILE 73 -1.552 -5.497 -2.518 585 2HG2 ILE 73 2HG2 ILE 73 -0.571 -5.341 -1.041 586 3HG2 ILE 73 3HG2 ILE 73 0.109 -6.136 -2.480 587 1HD1 ILE 73 1HD1 ILE 73 -1.376 -7.405 1.218 588 2HD1 ILE 73 2HD1 ILE 73 -1.978 -5.751 0.955 589 3HD1 ILE 73 3HD1 ILE 73 -3.083 -7.016 1.543 590 H SER 74 HN SER 74 0.154 -10.063 -3.318 591 HA SER 74 HA SER 74 1.569 -8.219 -5.013 592 1HB SER 74 2HB SER 74 2.419 -10.243 -3.373 593 2HB SER 74 3HB SER 74 2.377 -11.094 -4.905 594 HG SER 74 HG SER 74 3.939 -9.777 -5.750 595 H GLN 75 HN GLN 75 -0.308 -11.302 -5.195 596 HA GLN 75 HA GLN 75 0.076 -11.597 -7.959 597 1HB GLN 75 2HB GLN 75 -0.981 -13.136 -5.867 598 2HB GLN 75 3HB GLN 75 -2.375 -12.828 -6.883 599 1HG GLN 75 2HG GLN 75 -1.510 -14.744 -7.906 600 2HG GLN 75 3HG GLN 75 -0.748 -13.492 -8.868 601 1HE2 GLN 75 1HE2 GLN 75 -0.204 -15.015 -5.688 602 2HE2 GLN 75 2HE2 GLN 75 1.480 -15.361 -5.897 Start of MODEL 15 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.374 -0.237 -2.047 3 1HB LYS 1 2HB LYS 1 2.700 1.963 -0.606 4 2HB LYS 1 3HB LYS 1 3.648 1.308 -1.925 5 1HG LYS 1 2HG LYS 1 1.967 1.788 -3.546 6 2HG LYS 1 3HG LYS 1 0.706 1.929 -2.337 7 1HD LYS 1 2HD LYS 1 1.158 4.134 -1.961 8 2HD LYS 1 3HD LYS 1 2.884 3.850 -1.856 9 1HE LYS 1 2HE LYS 1 2.648 5.232 -3.780 10 2HE LYS 1 3HE LYS 1 2.854 3.622 -4.442 11 1HZ LYS 1 1HZ LYS 1 0.858 3.745 -5.330 12 2HZ LYS 1 2HZ LYS 1 0.142 4.124 -3.911 13 3HZ LYS 1 3HZ LYS 1 0.749 5.306 -4.861 14 H SER 2 HN SER 2 3.996 -0.245 0.475 15 HA SER 2 HA SER 2 5.493 -2.105 -1.028 16 1HB SER 2 2HB SER 2 5.736 -1.132 1.851 17 2HB SER 2 3HB SER 2 6.907 -2.189 1.088 18 HG SER 2 HG SER 2 7.823 -0.400 0.364 19 HA PRO 3 HA PRO 3 3.774 -5.770 0.572 20 1HB PRO 3 2HB PRO 3 5.826 -7.540 0.222 21 2HB PRO 3 3HB PRO 3 4.755 -7.046 -1.074 22 1HG PRO 3 2HG PRO 3 7.551 -6.229 -0.567 23 2HG PRO 3 3HG PRO 3 6.619 -6.096 -2.045 24 1HD PRO 3 2HD PRO 3 7.238 -3.980 -0.210 25 2HD PRO 3 3HD PRO 3 6.210 -3.873 -1.626 26 H GLU 4 HN GLU 4 6.905 -4.873 1.834 27 HA GLU 4 HA GLU 4 6.813 -6.580 4.012 28 1HB GLU 4 2HB GLU 4 8.495 -4.464 3.016 29 2HB GLU 4 3HB GLU 4 8.204 -4.157 4.716 30 1HG GLU 4 2HG GLU 4 8.768 -7.009 4.109 31 2HG GLU 4 3HG GLU 4 10.092 -5.934 3.704 32 H GLU 5 HN GLU 5 5.312 -3.423 3.366 33 HA GLU 5 HA GLU 5 4.787 -2.735 6.002 34 1HB GLU 5 2HB GLU 5 4.011 -1.838 3.318 35 2HB GLU 5 3HB GLU 5 2.683 -1.679 4.451 36 1HG GLU 5 2HG GLU 5 4.780 -0.727 5.977 37 2HG GLU 5 3HG GLU 5 5.291 -0.236 4.374 38 H LEU 6 HN LEU 6 3.175 -4.922 3.698 39 HA LEU 6 HA LEU 6 0.712 -5.116 4.981 40 1HB LEU 6 2HB LEU 6 2.246 -7.098 3.297 41 2HB LEU 6 3HB LEU 6 0.581 -7.312 3.798 42 HG LEU 6 HG LEU 6 1.520 -4.936 2.176 43 1HD1 LEU 6 1HD1 LEU 6 2.024 -6.824 0.823 44 2HD1 LEU 6 2HD1 LEU 6 0.483 -7.616 1.233 45 3HD1 LEU 6 3HD1 LEU 6 0.489 -6.149 0.225 46 1HD2 LEU 6 1HD2 LEU 6 -1.267 -6.073 2.494 47 2HD2 LEU 6 2HD2 LEU 6 -0.616 -4.740 3.477 48 3HD2 LEU 6 3HD2 LEU 6 -0.788 -4.545 1.716 49 H LYS 7 HN LYS 7 3.844 -6.813 5.502 50 HA LYS 7 HA LYS 7 2.862 -8.660 7.359 51 1HB LYS 7 2HB LYS 7 5.175 -8.382 6.041 52 2HB LYS 7 3HB LYS 7 5.668 -7.659 7.559 53 1HG LYS 7 2HG LYS 7 4.221 -10.336 7.482 54 2HG LYS 7 3HG LYS 7 5.959 -10.236 7.283 55 1HD LYS 7 2HD LYS 7 5.229 -8.604 9.554 56 2HD LYS 7 3HD LYS 7 4.437 -10.158 9.730 57 1HE LYS 7 2HE LYS 7 6.539 -11.357 9.579 58 2HE LYS 7 3HE LYS 7 7.395 -9.931 9.028 59 1HZ LYS 7 1HZ LYS 7 6.953 -10.743 11.635 60 2HZ LYS 7 2HZ LYS 7 7.765 -9.423 11.120 61 3HZ LYS 7 3HZ LYS 7 6.166 -9.326 11.440 62 H GLY 8 HN GLY 8 4.500 -5.451 7.817 63 1HA GLY 8 1HA GLY 8 4.356 -5.399 10.600 64 2HA GLY 8 2HA GLY 8 4.458 -4.009 9.539 65 H ILE 9 HN ILE 9 2.115 -3.931 8.132 66 HA ILE 9 HA ILE 9 0.320 -2.873 9.936 67 HB ILE 9 HB ILE 9 0.188 -3.752 7.083 68 1HG1 ILE 9 2HG1 ILE 9 -0.080 -1.084 8.498 69 2HG1 ILE 9 3HG1 ILE 9 1.317 -1.661 7.612 70 1HG2 ILE 9 1HG2 ILE 9 -2.108 -2.969 6.887 71 2HG2 ILE 9 2HG2 ILE 9 -2.007 -4.342 8.015 72 3HG2 ILE 9 3HG2 ILE 9 -2.182 -2.685 8.642 73 1HD1 ILE 9 1HD1 ILE 9 -1.337 -0.708 6.569 74 2HD1 ILE 9 2HD1 ILE 9 0.302 -0.405 5.945 75 3HD1 ILE 9 3HD1 ILE 9 -0.489 -1.971 5.646 76 H PHE 10 HN PHE 10 0.387 -6.146 8.390 77 HA PHE 10 HA PHE 10 -1.965 -7.117 9.368 78 1HB PHE 10 2HB PHE 10 -0.691 -8.485 7.871 79 2HB PHE 10 3HB PHE 10 0.806 -8.192 8.732 80 HD1 PHE 10 HD1 PHE 10 1.327 -9.456 10.784 81 HD2 PHE 10 HD2 PHE 10 -2.153 -10.287 8.502 82 HE1 PHE 10 HE1 PHE 10 1.086 -11.663 11.954 83 HE2 PHE 10 HE2 PHE 10 -2.393 -12.494 9.672 84 HZ PHE 10 HZ PHE 10 -0.771 -13.156 11.384 85 H GLU 11 HN GLU 11 1.304 -7.338 10.951 86 HA GLU 11 HA GLU 11 0.345 -8.590 13.225 87 1HB GLU 11 2HB GLU 11 2.849 -7.455 12.269 88 2HB GLU 11 3HB GLU 11 2.624 -7.050 13.959 89 1HG GLU 11 2HG GLU 11 1.886 -9.661 14.071 90 2HG GLU 11 3HG GLU 11 2.944 -9.750 12.677 91 H LYS 12 HN LYS 12 0.551 -5.158 12.266 92 HA LYS 12 HA LYS 12 0.227 -4.010 14.774 93 1HB LYS 12 2HB LYS 12 0.674 -3.066 12.297 94 2HB LYS 12 3HB LYS 12 -1.041 -2.722 12.403 95 1HG LYS 12 2HG LYS 12 0.190 -1.979 14.916 96 2HG LYS 12 3HG LYS 12 1.136 -1.284 13.615 97 1HD LYS 12 2HD LYS 12 -1.141 -0.497 12.615 98 2HD LYS 12 3HD LYS 12 -1.830 -0.894 14.176 99 1HE LYS 12 2HE LYS 12 -0.492 0.739 15.317 100 2HE LYS 12 3HE LYS 12 0.620 0.896 13.972 101 1HZ LYS 12 1HZ LYS 12 -0.768 2.266 12.908 102 2HZ LYS 12 2HZ LYS 12 -2.129 1.496 13.380 103 3HZ LYS 12 3HZ LYS 12 -1.388 2.541 14.394 104 H TYR 13 HN TYR 13 -2.044 -5.659 12.606 105 HA TYR 13 HA TYR 13 -4.293 -4.776 14.240 106 1HB TYR 13 2HB TYR 13 -3.731 -6.149 11.581 107 2HB TYR 13 3HB TYR 13 -5.283 -6.471 12.328 108 HD1 TYR 13 HD1 TYR 13 -3.099 -3.706 11.104 109 HD2 TYR 13 HD2 TYR 13 -7.068 -4.934 12.126 110 HE1 TYR 13 HE1 TYR 13 -4.026 -1.552 10.123 111 HE2 TYR 13 HE2 TYR 13 -7.982 -2.775 11.141 112 HH TYR 13 HH TYR 13 -6.182 -0.805 9.141 113 H ALA 14 HN ALA 14 -2.389 -7.698 13.365 114 HA ALA 14 HA ALA 14 -4.101 -9.526 14.655 115 1HB ALA 14 1HB ALA 14 -1.143 -9.991 14.382 116 2HB ALA 14 2HB ALA 14 -2.502 -11.092 14.053 117 3HB ALA 14 3HB ALA 14 -2.116 -9.787 12.906 118 H ALA 15 HN ALA 15 -1.563 -7.303 15.744 119 HA ALA 15 HA ALA 15 -1.212 -8.615 18.265 120 1HB ALA 15 1HB ALA 15 0.344 -6.880 18.697 121 2HB ALA 15 2HB ALA 15 0.468 -7.166 16.945 122 3HB ALA 15 3HB ALA 15 -0.449 -5.768 17.556 123 H LYS 16 HN LYS 16 -3.480 -6.374 16.828 124 HA LYS 16 HA LYS 16 -4.232 -4.882 19.023 125 1HB LYS 16 2HB LYS 16 -5.049 -5.191 16.384 126 2HB LYS 16 3HB LYS 16 -6.462 -5.676 17.300 127 1HG LYS 16 2HG LYS 16 -6.093 -3.528 18.713 128 2HG LYS 16 3HG LYS 16 -4.957 -3.034 17.474 129 1HD LYS 16 2HD LYS 16 -6.618 -2.768 15.845 130 2HD LYS 16 3HD LYS 16 -7.676 -3.964 16.568 131 1HE LYS 16 2HE LYS 16 -7.484 -1.991 18.560 132 2HE LYS 16 3HE LYS 16 -7.514 -1.060 17.075 133 1HZ LYS 16 1HZ LYS 16 -9.405 -3.216 17.199 134 2HZ LYS 16 2HZ LYS 16 -9.675 -2.001 18.257 135 3HZ LYS 16 3HZ LYS 16 -9.599 -1.688 16.656 136 H GLU 17 HN GLU 17 -5.912 -7.871 17.802 137 HA GLU 17 HA GLU 17 -6.597 -8.363 20.596 138 1HB GLU 17 2HB GLU 17 -8.190 -8.750 18.048 139 2HB GLU 17 3HB GLU 17 -8.559 -9.709 19.468 140 1HG GLU 17 2HG GLU 17 -8.306 -7.072 20.457 141 2HG GLU 17 3HG GLU 17 -9.148 -6.881 18.932 142 H GLY 18 HN GLY 18 -5.978 -10.321 21.470 143 1HA GLY 18 1HA GLY 18 -5.092 -12.381 21.617 144 2HA GLY 18 2HA GLY 18 -5.701 -12.705 20.006 145 H ASP 19 HN ASP 19 -3.427 -13.952 20.332 146 HA ASP 19 HA ASP 19 -1.073 -12.621 20.242 147 1HB ASP 19 2HB ASP 19 -1.723 -15.204 20.187 148 2HB ASP 19 3HB ASP 19 -1.533 -15.024 18.455 149 HA PRO 20 HA PRO 20 -1.152 -10.766 16.260 150 1HB PRO 20 2HB PRO 20 1.488 -10.119 15.975 151 2HB PRO 20 3HB PRO 20 0.358 -9.149 16.898 152 1HG PRO 20 2HG PRO 20 2.469 -10.971 17.880 153 2HG PRO 20 3HG PRO 20 1.632 -9.695 18.742 154 1HD PRO 20 2HD PRO 20 1.166 -12.515 18.976 155 2HD PRO 20 3HD PRO 20 0.254 -11.235 19.749 156 H ASN 21 HN ASN 21 -0.065 -13.750 16.859 157 HA ASN 21 HA ASN 21 1.162 -14.106 14.292 158 1HB ASN 21 2HB ASN 21 0.533 -15.972 16.628 159 2HB ASN 21 3HB ASN 21 1.170 -16.584 15.114 160 1HD2 ASN 21 1HD2 ASN 21 2.419 -16.753 17.640 161 2HD2 ASN 21 2HD2 ASN 21 3.913 -15.878 17.596 162 H GLN 22 HN GLN 22 -1.757 -15.186 16.170 163 HA GLN 22 HA GLN 22 -2.856 -16.271 13.717 164 1HB GLN 22 2HB GLN 22 -4.666 -17.119 15.372 165 2HB GLN 22 3HB GLN 22 -3.075 -17.849 15.460 166 1HG GLN 22 2HG GLN 22 -3.403 -15.416 17.148 167 2HG GLN 22 3HG GLN 22 -4.429 -16.758 17.612 168 1HE2 GLN 22 1HE2 GLN 22 -1.315 -17.054 16.006 169 2HE2 GLN 22 2HE2 GLN 22 -0.443 -17.790 17.308 170 H LEU 23 HN LEU 23 -4.545 -15.302 12.625 171 HA LEU 23 HA LEU 23 -5.415 -12.738 13.665 172 1HB LEU 23 2HB LEU 23 -5.408 -14.098 11.008 173 2HB LEU 23 3HB LEU 23 -6.589 -12.837 11.300 174 HG LEU 23 HG LEU 23 -4.303 -12.260 10.197 175 1HD1 LEU 23 1HD1 LEU 23 -6.206 -10.798 11.604 176 2HD1 LEU 23 2HD1 LEU 23 -4.649 -10.252 12.272 177 3HD1 LEU 23 3HD1 LEU 23 -4.949 -10.156 10.520 178 1HD2 LEU 23 1HD2 LEU 23 -3.534 -12.516 13.105 179 2HD2 LEU 23 2HD2 LEU 23 -2.744 -13.217 11.673 180 3HD2 LEU 23 3HD2 LEU 23 -2.652 -11.465 11.971 181 H SER 24 HN SER 24 -7.831 -12.192 13.334 182 HA SER 24 HA SER 24 -9.466 -14.535 13.803 183 1HB SER 24 2HB SER 24 -9.666 -12.063 15.569 184 2HB SER 24 3HB SER 24 -10.529 -13.575 15.766 185 HG SER 24 HG SER 24 -7.643 -13.407 15.858 186 H LYS 25 HN LYS 25 -11.879 -13.956 13.627 187 HA LYS 25 HA LYS 25 -12.368 -12.623 11.270 188 1HB LYS 25 2HB LYS 25 -13.836 -14.310 12.366 189 2HB LYS 25 3HB LYS 25 -14.303 -13.110 13.555 190 1HG LYS 25 2HG LYS 25 -14.888 -11.634 11.417 191 2HG LYS 25 3HG LYS 25 -14.923 -13.180 10.592 192 1HD LYS 25 2HD LYS 25 -16.446 -13.883 12.692 193 2HD LYS 25 3HD LYS 25 -16.726 -12.156 12.785 194 1HE LYS 25 2HE LYS 25 -17.038 -12.635 10.061 195 2HE LYS 25 3HE LYS 25 -17.668 -14.114 10.758 196 1HZ LYS 25 1HZ LYS 25 -18.682 -11.430 10.972 197 2HZ LYS 25 2HZ LYS 25 -19.489 -12.849 10.932 198 3HZ LYS 25 3HZ LYS 25 -18.804 -12.338 12.324 199 H GLU 26 HN GLU 26 -13.049 -11.448 14.645 200 HA GLU 26 HA GLU 26 -13.814 -8.930 13.860 201 1HB GLU 26 2HB GLU 26 -13.368 -10.340 16.301 202 2HB GLU 26 3HB GLU 26 -12.464 -8.844 16.431 203 1HG GLU 26 2HG GLU 26 -15.340 -8.848 15.440 204 2HG GLU 26 3HG GLU 26 -14.979 -8.842 17.155 205 H GLU 27 HN GLU 27 -10.564 -10.275 14.632 206 HA GLU 27 HA GLU 27 -9.211 -7.875 14.662 207 1HB GLU 27 2HB GLU 27 -8.530 -10.753 14.379 208 2HB GLU 27 3HB GLU 27 -7.343 -9.664 13.688 209 1HG GLU 27 2HG GLU 27 -7.786 -8.372 16.047 210 2HG GLU 27 3HG GLU 27 -8.174 -10.005 16.552 211 H LEU 28 HN LEU 28 -9.559 -10.275 11.945 212 HA LEU 28 HA LEU 28 -8.280 -8.703 10.043 213 1HB LEU 28 2HB LEU 28 -9.110 -11.218 10.125 214 2HB LEU 28 3HB LEU 28 -10.490 -10.552 9.274 215 HG LEU 28 HG LEU 28 -9.226 -9.955 7.399 216 1HD1 LEU 28 1HD1 LEU 28 -6.665 -10.127 7.442 217 2HD1 LEU 28 2HD1 LEU 28 -7.422 -8.732 8.247 218 3HD1 LEU 28 3HD1 LEU 28 -6.824 -10.101 9.215 219 1HD2 LEU 28 1HD2 LEU 28 -9.378 -12.523 8.098 220 2HD2 LEU 28 2HD2 LEU 28 -8.568 -11.982 6.608 221 3HD2 LEU 28 3HD2 LEU 28 -7.605 -12.366 8.055 222 H LYS 29 HN LYS 29 -11.726 -8.885 11.079 223 HA LYS 29 HA LYS 29 -12.971 -7.458 9.184 224 1HB LYS 29 2HB LYS 29 -13.929 -8.429 11.303 225 2HB LYS 29 3HB LYS 29 -13.367 -7.004 12.154 226 1HG LYS 29 2HG LYS 29 -14.667 -5.614 10.400 227 2HG LYS 29 3HG LYS 29 -15.397 -7.121 9.883 228 1HD LYS 29 2HD LYS 29 -16.773 -7.217 11.705 229 2HD LYS 29 3HD LYS 29 -15.485 -6.793 12.815 230 1HE LYS 29 2HE LYS 29 -15.754 -4.421 12.368 231 2HE LYS 29 3HE LYS 29 -16.799 -4.728 10.995 232 1HZ LYS 29 1HZ LYS 29 -17.933 -6.005 13.148 233 2HZ LYS 29 2HZ LYS 29 -17.492 -4.530 13.692 234 3HZ LYS 29 3HZ LYS 29 -18.476 -4.661 12.395 235 H LEU 30 HN LEU 30 -11.161 -6.002 11.979 236 HA LEU 30 HA LEU 30 -11.509 -3.371 11.233 237 1HB LEU 30 2HB LEU 30 -9.070 -4.533 12.577 238 2HB LEU 30 3HB LEU 30 -9.661 -2.886 12.682 239 HG LEU 30 HG LEU 30 -11.719 -4.741 13.530 240 1HD1 LEU 30 1HD1 LEU 30 -10.763 -5.982 15.184 241 2HD1 LEU 30 2HD1 LEU 30 -9.406 -5.945 14.032 242 3HD1 LEU 30 3HD1 LEU 30 -9.419 -4.840 15.428 243 1HD2 LEU 30 1HD2 LEU 30 -10.532 -3.039 15.581 244 2HD2 LEU 30 2HD2 LEU 30 -10.893 -2.155 14.079 245 3HD2 LEU 30 3HD2 LEU 30 -12.182 -3.057 14.913 246 H LEU 31 HN LEU 31 -8.642 -5.502 10.540 247 HA LEU 31 HA LEU 31 -7.269 -3.770 8.953 248 1HB LEU 31 2HB LEU 31 -6.744 -6.154 9.814 249 2HB LEU 31 3HB LEU 31 -7.459 -6.697 8.309 250 HG LEU 31 HG LEU 31 -5.515 -4.609 7.799 251 1HD1 LEU 31 1HD1 LEU 31 -3.687 -6.567 8.466 252 2HD1 LEU 31 2HD1 LEU 31 -3.983 -5.055 9.358 253 3HD1 LEU 31 3HD1 LEU 31 -4.796 -6.557 9.858 254 1HD2 LEU 31 1HD2 LEU 31 -6.003 -5.902 5.970 255 2HD2 LEU 31 2HD2 LEU 31 -4.500 -6.677 6.525 256 3HD2 LEU 31 3HD2 LEU 31 -6.075 -7.412 6.910 257 H LEU 32 HN LEU 32 -9.501 -6.349 7.682 258 HA LEU 32 HA LEU 32 -9.542 -5.518 5.091 259 1HB LEU 32 2HB LEU 32 -11.864 -6.651 6.657 260 2HB LEU 32 3HB LEU 32 -11.675 -6.674 4.914 261 HG LEU 32 HG LEU 32 -9.732 -8.030 6.798 262 1HD1 LEU 32 1HD1 LEU 32 -10.930 -10.151 6.071 263 2HD1 LEU 32 2HD1 LEU 32 -11.775 -9.118 7.249 264 3HD1 LEU 32 3HD1 LEU 32 -12.261 -9.096 5.537 265 1HD2 LEU 32 1HD2 LEU 32 -8.519 -8.278 4.955 266 2HD2 LEU 32 2HD2 LEU 32 -9.810 -9.322 4.312 267 3HD2 LEU 32 3HD2 LEU 32 -9.806 -7.581 3.942 268 H GLN 33 HN GLN 33 -10.883 -3.933 7.915 269 HA GLN 33 HA GLN 33 -12.815 -2.437 6.539 270 1HB GLN 33 2HB GLN 33 -12.196 -2.889 9.185 271 2HB GLN 33 3HB GLN 33 -11.615 -1.247 8.989 272 1HG GLN 33 2HG GLN 33 -13.895 -0.708 7.899 273 2HG GLN 33 3HG GLN 33 -14.431 -2.284 8.449 274 1HE2 GLN 33 1HE2 GLN 33 -13.925 -2.763 10.803 275 2HE2 GLN 33 2HE2 GLN 33 -14.262 -1.515 11.956 276 H THR 34 HN THR 34 -9.631 -1.415 7.989 277 HA THR 34 HA THR 34 -9.633 0.963 6.361 278 HB THR 34 HB THR 34 -8.193 -0.179 8.702 279 HG1 THR 34 HG1 THR 34 -8.171 2.305 8.930 280 1HG2 THR 34 1HG2 THR 34 -6.192 0.049 7.323 281 2HG2 THR 34 2HG2 THR 34 -6.788 1.574 6.624 282 3HG2 THR 34 3HG2 THR 34 -6.296 1.511 8.334 283 H GLU 35 HN GLU 35 -7.689 -2.082 6.561 284 HA GLU 35 HA GLU 35 -5.873 -1.526 4.659 285 1HB GLU 35 2HB GLU 35 -5.785 -3.584 5.934 286 2HB GLU 35 3HB GLU 35 -7.309 -4.140 5.271 287 1HG GLU 35 2HG GLU 35 -5.685 -5.327 4.010 288 2HG GLU 35 3HG GLU 35 -6.163 -4.021 2.943 289 H PHE 36 HN PHE 36 -9.084 -3.141 4.070 290 HA PHE 36 HA PHE 36 -9.259 -1.751 1.546 291 1HB PHE 36 2HB PHE 36 -8.965 -4.770 1.966 292 2HB PHE 36 3HB PHE 36 -9.819 -4.166 0.561 293 HD1 PHE 36 HD1 PHE 36 -6.847 -5.488 1.449 294 HD2 PHE 36 HD2 PHE 36 -8.336 -2.023 -0.496 295 HE1 PHE 36 HE1 PHE 36 -4.665 -5.233 0.234 296 HE2 PHE 36 HE2 PHE 36 -6.155 -1.768 -1.711 297 HZ PHE 36 HZ PHE 36 -4.345 -3.376 -1.332 298 HA PRO 37 HA PRO 37 -13.242 -2.222 3.537 299 1HB PRO 37 2HB PRO 37 -14.150 0.306 3.034 300 2HB PRO 37 3HB PRO 37 -13.300 -0.132 4.502 301 1HG PRO 37 2HG PRO 37 -12.308 1.388 2.169 302 2HG PRO 37 3HG PRO 37 -11.643 1.305 3.789 303 1HD PRO 37 2HD PRO 37 -10.652 -0.038 1.455 304 2HD PRO 37 3HD PRO 37 -10.059 -0.211 3.095 305 H SER 38 HN SER 38 -12.146 -2.069 0.484 306 HA SER 38 HA SER 38 -14.766 -1.839 -0.683 307 1HB SER 38 2HB SER 38 -12.097 -1.364 -1.560 308 2HB SER 38 3HB SER 38 -12.689 -2.692 -2.537 309 HG SER 38 HG SER 38 -14.712 -1.202 -2.736 310 H LEU 39 HN LEU 39 -12.260 -4.268 0.101 311 HA LEU 39 HA LEU 39 -13.410 -6.359 -1.414 312 1HB LEU 39 2HB LEU 39 -11.130 -5.912 0.258 313 2HB LEU 39 3HB LEU 39 -11.931 -7.381 0.780 314 HG LEU 39 HG LEU 39 -10.081 -7.611 -0.950 315 1HD1 LEU 39 1HD1 LEU 39 -12.809 -8.779 -1.565 316 2HD1 LEU 39 2HD1 LEU 39 -11.256 -9.392 -2.180 317 3HD1 LEU 39 3HD1 LEU 39 -11.600 -9.433 -0.434 318 1HD2 LEU 39 1HD2 LEU 39 -10.170 -6.431 -2.823 319 2HD2 LEU 39 2HD2 LEU 39 -11.666 -7.281 -3.282 320 3HD2 LEU 39 3HD2 LEU 39 -11.753 -5.764 -2.355 321 H LEU 40 HN LEU 40 -14.208 -4.803 1.608 322 HA LEU 40 HA LEU 40 -15.560 -7.050 2.730 323 1HB LEU 40 2HB LEU 40 -15.549 -4.102 3.375 324 2HB LEU 40 3HB LEU 40 -16.464 -5.289 4.284 325 HG LEU 40 HG LEU 40 -13.455 -5.361 3.932 326 1HD1 LEU 40 1HD1 LEU 40 -13.325 -4.565 6.252 327 2HD1 LEU 40 2HD1 LEU 40 -14.095 -3.372 5.179 328 3HD1 LEU 40 3HD1 LEU 40 -15.093 -4.356 6.276 329 1HD2 LEU 40 1HD2 LEU 40 -13.987 -7.539 4.422 330 2HD2 LEU 40 2HD2 LEU 40 -13.800 -6.865 6.059 331 3HD2 LEU 40 3HD2 LEU 40 -15.426 -7.095 5.372 332 H LYS 41 HN LYS 41 -16.299 -4.484 0.420 333 HA LYS 41 HA LYS 41 -19.116 -4.672 0.684 334 1HB LYS 41 2HB LYS 41 -19.201 -3.076 -0.969 335 2HB LYS 41 3HB LYS 41 -17.608 -2.780 -0.302 336 1HG LYS 41 2HG LYS 41 -16.849 -2.996 -2.440 337 2HG LYS 41 3HG LYS 41 -17.054 -4.720 -2.207 338 1HD LYS 41 2HD LYS 41 -19.127 -4.771 -3.346 339 2HD LYS 41 3HD LYS 41 -19.438 -3.068 -3.074 340 1HE LYS 41 2HE LYS 41 -18.480 -2.535 -5.060 341 2HE LYS 41 3HE LYS 41 -16.978 -3.296 -4.577 342 1HZ LYS 41 1HZ LYS 41 -19.060 -4.314 -6.237 343 2HZ LYS 41 2HZ LYS 41 -17.479 -4.723 -6.181 344 3HZ LYS 41 3HZ LYS 41 -18.534 -5.394 -5.131 345 H GLY 42 HN GLY 42 -16.606 -6.500 -1.006 346 1HA GLY 42 1HA GLY 42 -17.858 -7.662 -3.100 347 2HA GLY 42 2HA GLY 42 -16.753 -8.507 -2.035 348 H MET 43 HN MET 43 -18.721 -10.004 -3.231 349 HA MET 43 HA MET 43 -21.061 -10.089 -1.654 350 1HB MET 43 2HB MET 43 -19.818 -12.117 -3.596 351 2HB MET 43 3HB MET 43 -21.455 -12.222 -2.980 352 1HG MET 43 2HG MET 43 -22.202 -10.762 -4.553 353 2HG MET 43 3HG MET 43 -21.032 -9.556 -4.056 354 1HE MET 43 1HE MET 43 -20.031 -9.404 -7.699 355 2HE MET 43 2HE MET 43 -21.674 -9.430 -7.015 356 3HE MET 43 3HE MET 43 -20.376 -8.543 -6.180 357 H SER 44 HN SER 44 -17.902 -10.920 -0.923 358 HA SER 44 HA SER 44 -18.597 -13.331 0.495 359 1HB SER 44 2HB SER 44 -16.438 -13.114 -0.795 360 2HB SER 44 3HB SER 44 -15.925 -11.868 0.326 361 HG SER 44 HG SER 44 -16.532 -14.627 0.973 362 H THR 45 HN THR 45 -19.827 -12.800 2.314 363 HA THR 45 HA THR 45 -19.423 -10.454 3.821 364 HB THR 45 HB THR 45 -21.017 -11.609 5.376 365 HG1 THR 45 HG1 THR 45 -21.513 -13.863 4.706 366 1HG2 THR 45 1HG2 THR 45 -21.620 -10.867 2.792 367 2HG2 THR 45 2HG2 THR 45 -22.022 -12.601 2.737 368 3HG2 THR 45 3HG2 THR 45 -22.820 -11.540 3.922 369 H LEU 46 HN LEU 46 -18.990 -10.579 6.288 370 HA LEU 46 HA LEU 46 -16.325 -11.111 6.638 371 1HB LEU 46 2HB LEU 46 -18.164 -9.804 8.025 372 2HB LEU 46 3HB LEU 46 -18.186 -11.284 8.963 373 HG LEU 46 HG LEU 46 -15.908 -11.048 9.599 374 1HD1 LEU 46 1HD1 LEU 46 -15.768 -9.107 7.327 375 2HD1 LEU 46 2HD1 LEU 46 -14.668 -8.901 8.711 376 3HD1 LEU 46 3HD1 LEU 46 -14.658 -10.420 7.784 377 1HD2 LEU 46 1HD2 LEU 46 -15.928 -9.030 10.861 378 2HD2 LEU 46 2HD2 LEU 46 -17.044 -8.247 9.717 379 3HD2 LEU 46 3HD2 LEU 46 -17.612 -9.591 10.736 380 H ASP 47 HN ASP 47 -19.046 -13.073 8.048 381 HA ASP 47 HA ASP 47 -17.625 -15.100 9.012 382 1HB ASP 47 2HB ASP 47 -20.305 -14.624 8.452 383 2HB ASP 47 3HB ASP 47 -19.978 -16.012 7.434 384 H GLU 48 HN GLU 48 -18.897 -14.782 5.613 385 HA GLU 48 HA GLU 48 -17.949 -17.154 4.650 386 1HB GLU 48 2HB GLU 48 -19.018 -14.672 3.581 387 2HB GLU 48 3HB GLU 48 -17.720 -15.238 2.548 388 1HG GLU 48 2HG GLU 48 -18.973 -17.606 2.901 389 2HG GLU 48 3HG GLU 48 -20.348 -16.560 3.196 390 H LEU 49 HN LEU 49 -16.324 -13.927 4.826 391 HA LEU 49 HA LEU 49 -13.999 -14.706 3.484 392 1HB LEU 49 2HB LEU 49 -15.043 -12.381 4.391 393 2HB LEU 49 3HB LEU 49 -13.802 -12.651 5.600 394 HG LEU 49 HG LEU 49 -12.324 -13.088 3.394 395 1HD1 LEU 49 1HD1 LEU 49 -14.325 -12.661 1.934 396 2HD1 LEU 49 2HD1 LEU 49 -14.272 -10.965 2.471 397 3HD1 LEU 49 3HD1 LEU 49 -12.898 -11.659 1.578 398 1HD2 LEU 49 1HD2 LEU 49 -12.506 -11.145 5.363 399 2HD2 LEU 49 2HD2 LEU 49 -11.202 -11.325 4.165 400 3HD2 LEU 49 3HD2 LEU 49 -12.557 -10.217 3.845 401 H PHE 50 HN PHE 50 -14.877 -14.662 6.995 402 HA PHE 50 HA PHE 50 -12.428 -15.471 7.969 403 1HB PHE 50 2HB PHE 50 -14.570 -14.676 9.176 404 2HB PHE 50 3HB PHE 50 -15.257 -16.261 8.885 405 HD1 PHE 50 HD1 PHE 50 -11.863 -15.214 10.042 406 HD2 PHE 50 HD2 PHE 50 -15.423 -17.355 10.909 407 HE1 PHE 50 HE1 PHE 50 -10.840 -16.050 12.176 408 HE2 PHE 50 HE2 PHE 50 -14.400 -18.191 13.043 409 HZ PHE 50 HZ PHE 50 -12.121 -17.528 13.651 410 H GLU 51 HN GLU 51 -15.305 -17.501 7.062 411 HA GLU 51 HA GLU 51 -14.057 -19.902 7.659 412 1HB GLU 51 2HB GLU 51 -16.532 -18.995 6.346 413 2HB GLU 51 3HB GLU 51 -15.920 -20.479 5.643 414 1HG GLU 51 2HG GLU 51 -17.043 -21.469 7.382 415 2HG GLU 51 3HG GLU 51 -15.594 -21.079 8.288 416 H GLU 52 HN GLU 52 -14.302 -17.986 4.610 417 HA GLU 52 HA GLU 52 -13.159 -19.886 2.965 418 1HB GLU 52 2HB GLU 52 -14.377 -17.751 2.294 419 2HB GLU 52 3HB GLU 52 -12.917 -16.861 2.679 420 1HG GLU 52 2HG GLU 52 -11.641 -18.065 0.981 421 2HG GLU 52 3HG GLU 52 -12.955 -19.193 0.712 422 H LEU 53 HN LEU 53 -11.644 -17.044 4.656 423 HA LEU 53 HA LEU 53 -9.059 -17.484 3.817 424 1HB LEU 53 2HB LEU 53 -10.014 -16.369 6.458 425 2HB LEU 53 3HB LEU 53 -8.409 -16.174 5.783 426 HG LEU 53 HG LEU 53 -10.727 -15.263 4.131 427 1HD1 LEU 53 1HD1 LEU 53 -9.675 -13.673 6.487 428 2HD1 LEU 53 2HD1 LEU 53 -10.854 -13.122 5.273 429 3HD1 LEU 53 3HD1 LEU 53 -11.275 -14.446 6.386 430 1HD2 LEU 53 1HD2 LEU 53 -8.107 -15.216 3.660 431 2HD2 LEU 53 2HD2 LEU 53 -9.205 -13.942 3.078 432 3HD2 LEU 53 3HD2 LEU 53 -8.238 -13.680 4.549 433 H ASP 54 HN ASP 54 -10.643 -18.640 6.878 434 HA ASP 54 HA ASP 54 -8.418 -20.200 7.558 435 1HB ASP 54 2HB ASP 54 -10.114 -19.372 9.193 436 2HB ASP 54 3HB ASP 54 -11.336 -20.383 8.448 437 H LYS 55 HN LYS 55 -7.854 -21.822 6.047 438 HA LYS 55 HA LYS 55 -10.032 -23.600 5.196 439 1HB LYS 55 2HB LYS 55 -7.752 -22.383 3.769 440 2HB LYS 55 3HB LYS 55 -7.963 -24.095 3.466 441 1HG LYS 55 2HG LYS 55 -10.153 -23.812 2.595 442 2HG LYS 55 3HG LYS 55 -10.377 -22.264 3.386 443 1HD LYS 55 2HD LYS 55 -10.007 -21.694 1.107 444 2HD LYS 55 3HD LYS 55 -8.465 -21.378 1.877 445 1HE LYS 55 2HE LYS 55 -7.696 -23.693 1.169 446 2HE LYS 55 3HE LYS 55 -9.205 -23.890 0.301 447 1HZ LYS 55 1HZ LYS 55 -8.611 -22.324 -1.219 448 2HZ LYS 55 2HZ LYS 55 -7.595 -21.525 -0.220 449 3HZ LYS 55 3HZ LYS 55 -7.140 -22.948 -0.881 450 H ASN 56 HN ASN 56 -7.149 -23.230 7.087 451 HA ASN 56 HA ASN 56 -6.265 -25.881 6.914 452 1HB ASN 56 2HB ASN 56 -5.897 -23.937 9.250 453 2HB ASN 56 3HB ASN 56 -4.868 -25.302 8.863 454 1HD2 ASN 56 1HD2 ASN 56 -3.978 -25.299 6.583 455 2HD2 ASN 56 2HD2 ASN 56 -3.349 -23.804 5.975 456 H GLY 57 HN GLY 57 -8.422 -24.003 9.130 457 1HA GLY 57 1HA GLY 57 -10.291 -24.916 10.184 458 2HA GLY 57 2HA GLY 57 -9.590 -26.519 10.077 459 H ASP 58 HN ASP 58 -8.687 -23.279 11.479 460 HA ASP 58 HA ASP 58 -8.177 -24.692 13.964 461 1HB ASP 58 2HB ASP 58 -6.399 -22.424 12.992 462 2HB ASP 58 3HB ASP 58 -6.096 -23.531 14.316 463 H GLY 59 HN GLY 59 -8.365 -21.481 12.255 464 1HA GLY 59 1HA GLY 59 -10.304 -20.105 12.969 465 2HA GLY 59 2HA GLY 59 -9.778 -20.390 14.616 466 H GLU 60 HN GLU 60 -6.980 -20.289 12.736 467 HA GLU 60 HA GLU 60 -6.678 -17.457 13.356 468 1HB GLU 60 2HB GLU 60 -4.254 -17.906 13.528 469 2HB GLU 60 3HB GLU 60 -5.159 -18.930 14.625 470 1HG GLU 60 2HG GLU 60 -5.092 -20.762 12.848 471 2HG GLU 60 3HG GLU 60 -4.027 -19.738 11.906 472 H VAL 61 HN VAL 61 -6.438 -16.049 11.666 473 HA VAL 61 HA VAL 61 -6.056 -17.239 9.026 474 HB VAL 61 HB VAL 61 -7.149 -14.606 10.011 475 1HG1 VAL 61 1HG1 VAL 61 -6.130 -15.364 7.312 476 2HG1 VAL 61 2HG1 VAL 61 -7.663 -14.462 7.384 477 3HG1 VAL 61 3HG1 VAL 61 -6.191 -13.775 8.113 478 1HG2 VAL 61 1HG2 VAL 61 -8.477 -16.874 9.918 479 2HG2 VAL 61 2HG2 VAL 61 -9.232 -15.363 9.356 480 3HG2 VAL 61 3HG2 VAL 61 -8.565 -16.517 8.176 481 H SER 62 HN SER 62 -3.720 -17.515 10.180 482 HA SER 62 HA SER 62 -2.079 -15.394 10.529 483 1HB SER 62 2HB SER 62 -0.661 -17.533 9.144 484 2HB SER 62 3HB SER 62 -0.541 -17.030 10.819 485 HG SER 62 HG SER 62 -2.277 -18.987 9.638 486 H PHE 63 HN PHE 63 -0.155 -14.738 9.030 487 HA PHE 63 HA PHE 63 -1.085 -13.428 6.839 488 1HB PHE 63 2HB PHE 63 1.168 -13.294 8.117 489 2HB PHE 63 3HB PHE 63 1.687 -14.707 7.221 490 HD1 PHE 63 HD1 PHE 63 -0.099 -11.591 6.185 491 HD2 PHE 63 HD2 PHE 63 3.296 -14.090 5.694 492 HE1 PHE 63 HE1 PHE 63 0.721 -10.113 4.329 493 HE2 PHE 63 HE2 PHE 63 4.116 -12.611 3.839 494 HZ PHE 63 HZ PHE 63 2.819 -10.640 3.178 495 H GLU 64 HN GLU 64 -0.033 -16.823 7.112 496 HA GLU 64 HA GLU 64 0.502 -17.377 4.510 497 1HB GLU 64 2HB GLU 64 -0.549 -19.719 5.187 498 2HB GLU 64 3HB GLU 64 0.933 -19.158 5.936 499 1HG GLU 64 2HG GLU 64 -0.041 -19.048 7.987 500 2HG GLU 64 3HG GLU 64 -1.385 -18.104 7.374 501 H GLU 65 HN GLU 65 -2.718 -17.558 6.189 502 HA GLU 65 HA GLU 65 -4.068 -18.215 3.820 503 1HB GLU 65 2HB GLU 65 -5.109 -17.072 6.450 504 2HB GLU 65 3HB GLU 65 -6.124 -17.725 5.181 505 1HG GLU 65 2HG GLU 65 -4.769 -19.907 5.378 506 2HG GLU 65 3HG GLU 65 -4.033 -19.228 6.816 507 H PHE 66 HN PHE 66 -3.089 -15.186 5.385 508 HA PHE 66 HA PHE 66 -4.885 -13.449 4.195 509 1HB PHE 66 2HB PHE 66 -3.014 -13.160 6.023 510 2HB PHE 66 3HB PHE 66 -1.889 -12.994 4.690 511 HD1 PHE 66 HD1 PHE 66 -4.144 -11.289 6.831 512 HD2 PHE 66 HD2 PHE 66 -2.395 -11.128 2.968 513 HE1 PHE 66 HE1 PHE 66 -4.661 -8.837 6.699 514 HE2 PHE 66 HE2 PHE 66 -2.912 -8.675 2.836 515 HZ PHE 66 HZ PHE 66 -4.039 -7.559 4.703 516 H GLN 67 HN GLN 67 -1.846 -14.918 2.965 517 HA GLN 67 HA GLN 67 -1.545 -13.261 0.778 518 1HB GLN 67 2HB GLN 67 -0.779 -16.201 1.061 519 2HB GLN 67 3HB GLN 67 -0.133 -15.099 -0.138 520 1HG GLN 67 2HG GLN 67 0.416 -13.618 2.051 521 2HG GLN 67 3HG GLN 67 0.371 -15.186 2.832 522 1HE2 GLN 67 1HE2 GLN 67 2.591 -13.346 2.353 523 2HE2 GLN 67 2HE2 GLN 67 3.806 -14.220 1.480 524 H VAL 68 HN VAL 68 -4.013 -15.543 1.505 525 HA VAL 68 HA VAL 68 -4.545 -16.357 -1.181 526 HB VAL 68 HB VAL 68 -6.291 -16.476 1.285 527 1HG1 VAL 68 1HG1 VAL 68 -7.361 -18.378 0.124 528 2HG1 VAL 68 2HG1 VAL 68 -7.527 -16.857 -0.785 529 3HG1 VAL 68 3HG1 VAL 68 -6.334 -18.074 -1.298 530 1HG2 VAL 68 1HG2 VAL 68 -3.819 -17.607 1.102 531 2HG2 VAL 68 2HG2 VAL 68 -5.165 -18.279 2.053 532 3HG2 VAL 68 3HG2 VAL 68 -4.832 -18.901 0.419 533 H LEU 69 HN LEU 69 -5.661 -13.802 1.077 534 HA LEU 69 HA LEU 69 -7.763 -12.949 -0.639 535 1HB LEU 69 2HB LEU 69 -7.348 -12.675 1.948 536 2HB LEU 69 3HB LEU 69 -6.529 -11.208 1.452 537 HG LEU 69 HG LEU 69 -8.535 -10.323 0.459 538 1HD1 LEU 69 1HD1 LEU 69 -9.542 -13.117 0.779 539 2HD1 LEU 69 2HD1 LEU 69 -10.704 -11.774 0.894 540 3HD1 LEU 69 3HD1 LEU 69 -9.721 -11.977 -0.577 541 1HD2 LEU 69 1HD2 LEU 69 -8.138 -10.330 3.023 542 2HD2 LEU 69 2HD2 LEU 69 -9.724 -9.830 2.387 543 3HD2 LEU 69 3HD2 LEU 69 -9.512 -11.462 3.065 544 H VAL 70 HN VAL 70 -4.297 -12.250 -0.258 545 HA VAL 70 HA VAL 70 -4.170 -9.825 -1.565 546 HB VAL 70 HB VAL 70 -2.331 -12.139 -1.138 547 1HG1 VAL 70 1HG1 VAL 70 -1.936 -9.940 -3.145 548 2HG1 VAL 70 2HG1 VAL 70 -0.540 -10.541 -2.218 549 3HG1 VAL 70 3HG1 VAL 70 -1.483 -11.659 -3.234 550 1HG2 VAL 70 1HG2 VAL 70 -2.384 -10.767 0.731 551 2HG2 VAL 70 2HG2 VAL 70 -0.986 -10.116 -0.158 552 3HG2 VAL 70 3HG2 VAL 70 -2.556 -9.280 -0.232 553 H LYS 71 HN LYS 71 -4.974 -13.016 -2.766 554 HA LYS 71 HA LYS 71 -4.232 -12.545 -5.460 555 1HB LYS 71 2HB LYS 71 -4.886 -14.745 -4.007 556 2HB LYS 71 3HB LYS 71 -6.397 -14.480 -4.854 557 1HG LYS 71 2HG LYS 71 -4.302 -14.082 -6.773 558 2HG LYS 71 3HG LYS 71 -3.902 -15.541 -5.889 559 1HD LYS 71 2HD LYS 71 -6.773 -15.345 -6.631 560 2HD LYS 71 3HD LYS 71 -5.692 -15.397 -8.009 561 1HE LYS 71 2HE LYS 71 -4.584 -17.446 -6.997 562 2HE LYS 71 3HE LYS 71 -5.785 -17.421 -5.722 563 1HZ LYS 71 1HZ LYS 71 -6.405 -18.877 -7.524 564 2HZ LYS 71 2HZ LYS 71 -7.489 -17.664 -7.383 565 3HZ LYS 71 3HZ LYS 71 -6.389 -17.640 -8.590 566 H LYS 72 HN LYS 72 -7.331 -12.307 -3.602 567 HA LYS 72 HA LYS 72 -8.789 -11.406 -5.857 568 1HB LYS 72 2HB LYS 72 -9.393 -11.285 -2.888 569 2HB LYS 72 3HB LYS 72 -10.534 -10.888 -4.156 570 1HG LYS 72 2HG LYS 72 -11.062 -13.135 -3.809 571 2HG LYS 72 3HG LYS 72 -9.895 -13.285 -5.108 572 1HD LYS 72 2HD LYS 72 -8.203 -14.090 -3.696 573 2HD LYS 72 3HD LYS 72 -8.848 -13.285 -2.280 574 1HE LYS 72 2HE LYS 72 -9.746 -15.292 -1.694 575 2HE LYS 72 3HE LYS 72 -10.913 -15.043 -2.977 576 1HZ LYS 72 1HZ LYS 72 -9.219 -17.075 -2.883 577 2HZ LYS 72 2HZ LYS 72 -9.889 -16.523 -4.266 578 3HZ LYS 72 3HZ LYS 72 -8.380 -16.059 -3.849 579 H ILE 73 HN ILE 73 -6.835 -9.868 -3.306 580 HA ILE 73 HA ILE 73 -7.783 -7.244 -3.900 581 HB ILE 73 HB ILE 73 -5.600 -8.416 -2.212 582 1HG1 ILE 73 2HG1 ILE 73 -7.855 -6.575 -1.408 583 2HG1 ILE 73 3HG1 ILE 73 -8.088 -8.306 -1.558 584 1HG2 ILE 73 1HG2 ILE 73 -6.041 -5.456 -2.693 585 2HG2 ILE 73 2HG2 ILE 73 -4.936 -6.182 -1.501 586 3HG2 ILE 73 3HG2 ILE 73 -4.641 -6.407 -3.242 587 1HD1 ILE 73 1HD1 ILE 73 -5.752 -7.259 0.059 588 2HD1 ILE 73 2HD1 ILE 73 -7.383 -7.294 0.771 589 3HD1 ILE 73 3HD1 ILE 73 -6.621 -8.804 0.216 590 H SER 74 HN SER 74 -5.836 -9.467 -5.566 591 HA SER 74 HA SER 74 -4.094 -7.446 -6.640 592 1HB SER 74 2HB SER 74 -3.205 -9.708 -6.157 593 2HB SER 74 3HB SER 74 -4.366 -10.421 -7.258 594 HG SER 74 HG SER 74 -3.301 -9.577 -9.020 595 H GLN 75 HN GLN 75 -6.773 -9.650 -7.670 596 HA GLN 75 HA GLN 75 -6.753 -8.733 -10.322 597 1HB GLN 75 2HB GLN 75 -7.941 -10.826 -8.933 598 2HB GLN 75 3HB GLN 75 -9.318 -9.809 -9.306 599 1HG GLN 75 2HG GLN 75 -9.080 -10.074 -11.614 600 2HG GLN 75 3HG GLN 75 -7.344 -10.296 -11.523 601 1HE2 GLN 75 1HE2 GLN 75 -6.797 -12.273 -9.976 602 2HE2 GLN 75 2HE2 GLN 75 -7.579 -13.758 -10.405 Start of MODEL 16 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.417 -1.019 -1.420 3 1HB LYS 1 2HB LYS 1 0.604 1.280 -2.172 4 2HB LYS 1 3HB LYS 1 1.770 0.607 -3.293 5 1HG LYS 1 2HG LYS 1 0.728 -1.565 -3.248 6 2HG LYS 1 3HG LYS 1 -0.213 -1.173 -1.823 7 1HD LYS 1 2HD LYS 1 -0.668 0.681 -4.101 8 2HD LYS 1 3HD LYS 1 -1.121 -0.977 -4.442 9 1HE LYS 1 2HE LYS 1 -2.852 -0.973 -2.905 10 2HE LYS 1 3HE LYS 1 -1.991 0.049 -1.771 11 1HZ LYS 1 1HZ LYS 1 -3.282 0.938 -4.256 12 2HZ LYS 1 2HZ LYS 1 -3.790 1.243 -2.734 13 3HZ LYS 1 3HZ LYS 1 -2.401 1.907 -3.279 14 H SER 2 HN SER 2 2.099 2.571 -0.920 15 HA SER 2 HA SER 2 4.860 2.870 -1.504 16 1HB SER 2 2HB SER 2 2.523 4.555 -1.309 17 2HB SER 2 3HB SER 2 3.777 5.243 -0.297 18 HG SER 2 HG SER 2 3.971 4.581 -3.109 19 HA PRO 3 HA PRO 3 6.389 2.955 2.573 20 1HB PRO 3 2HB PRO 3 8.228 4.976 2.595 21 2HB PRO 3 3HB PRO 3 8.546 3.399 1.900 22 1HG PRO 3 2HG PRO 3 7.992 5.954 0.521 23 2HG PRO 3 3HG PRO 3 8.718 4.494 -0.122 24 1HD PRO 3 2HD PRO 3 6.029 5.403 -0.541 25 2HD PRO 3 3HD PRO 3 6.721 3.888 -1.086 26 H GLU 4 HN GLU 4 5.895 6.342 1.679 27 HA GLU 4 HA GLU 4 5.476 7.194 4.254 28 1HB GLU 4 2HB GLU 4 5.500 8.336 1.707 29 2HB GLU 4 3HB GLU 4 3.851 8.608 2.234 30 1HG GLU 4 2HG GLU 4 5.905 9.156 4.319 31 2HG GLU 4 3HG GLU 4 6.008 10.202 2.917 32 H GLU 5 HN GLU 5 3.254 5.694 1.882 33 HA GLU 5 HA GLU 5 0.921 6.293 3.305 34 1HB GLU 5 2HB GLU 5 1.703 4.685 0.955 35 2HB GLU 5 3HB GLU 5 0.372 3.973 1.845 36 1HG GLU 5 2HG GLU 5 -0.388 6.630 1.814 37 2HG GLU 5 3HG GLU 5 0.467 6.514 0.289 38 H LEU 6 HN LEU 6 3.348 3.687 3.471 39 HA LEU 6 HA LEU 6 1.832 1.856 4.940 40 1HB LEU 6 2HB LEU 6 4.746 2.348 4.478 41 2HB LEU 6 3HB LEU 6 4.258 1.203 5.711 42 HG LEU 6 HG LEU 6 3.227 1.003 2.880 43 1HD1 LEU 6 1HD1 LEU 6 5.704 1.056 2.828 44 2HD1 LEU 6 2HD1 LEU 6 5.731 -0.328 3.947 45 3HD1 LEU 6 3HD1 LEU 6 5.023 -0.510 2.324 46 1HD2 LEU 6 1HD2 LEU 6 3.625 -1.164 4.953 47 2HD2 LEU 6 2HD2 LEU 6 2.111 -0.248 4.761 48 3HD2 LEU 6 3HD2 LEU 6 2.718 -1.253 3.423 49 H LYS 7 HN LYS 7 3.908 4.639 5.910 50 HA LYS 7 HA LYS 7 3.835 4.169 8.645 51 1HB LYS 7 2HB LYS 7 5.097 5.930 7.043 52 2HB LYS 7 3HB LYS 7 3.839 6.981 7.663 53 1HG LYS 7 2HG LYS 7 5.179 5.254 9.705 54 2HG LYS 7 3HG LYS 7 6.200 6.475 8.973 55 1HD LYS 7 2HD LYS 7 5.206 8.125 10.173 56 2HD LYS 7 3HD LYS 7 3.617 7.651 9.607 57 1HE LYS 7 2HE LYS 7 3.181 6.336 11.473 58 2HE LYS 7 3HE LYS 7 4.857 5.867 11.675 59 1HZ LYS 7 1HZ LYS 7 5.120 7.499 13.107 60 2HZ LYS 7 2HZ LYS 7 4.581 8.629 12.058 61 3HZ LYS 7 3HZ LYS 7 3.525 7.840 13.022 62 H GLY 8 HN GLY 8 1.734 6.362 6.644 63 1HA GLY 8 1HA GLY 8 -0.002 7.109 8.679 64 2HA GLY 8 2HA GLY 8 -0.370 7.079 6.966 65 H ILE 9 HN ILE 9 -0.277 4.393 6.274 66 HA ILE 9 HA ILE 9 -2.739 3.472 7.097 67 HB ILE 9 HB ILE 9 -0.418 2.409 5.614 68 1HG1 ILE 9 2HG1 ILE 9 -3.404 2.392 5.085 69 2HG1 ILE 9 3HG1 ILE 9 -2.292 3.641 4.560 70 1HG2 ILE 9 1HG2 ILE 9 -1.655 0.152 5.467 71 2HG2 ILE 9 2HG2 ILE 9 -0.631 0.470 6.888 72 3HG2 ILE 9 3HG2 ILE 9 -2.400 0.625 7.012 73 1HD1 ILE 9 1HD1 ILE 9 -2.497 2.196 2.678 74 2HD1 ILE 9 2HD1 ILE 9 -0.944 1.737 3.416 75 3HD1 ILE 9 3HD1 ILE 9 -2.389 0.732 3.685 76 H PHE 10 HN PHE 10 0.562 2.470 8.223 77 HA PHE 10 HA PHE 10 -0.211 0.565 10.020 78 1HB PHE 10 2HB PHE 10 2.129 0.887 9.627 79 2HB PHE 10 3HB PHE 10 2.004 2.630 9.754 80 HD1 PHE 10 HD1 PHE 10 2.489 -0.478 11.576 81 HD2 PHE 10 HD2 PHE 10 1.951 3.713 11.965 82 HE1 PHE 10 HE1 PHE 10 3.316 -0.591 13.943 83 HE2 PHE 10 HE2 PHE 10 2.778 3.600 14.332 84 HZ PHE 10 HZ PHE 10 3.451 1.449 15.293 85 H GLU 11 HN GLU 11 0.320 4.104 10.684 86 HA GLU 11 HA GLU 11 -0.469 3.929 13.332 87 1HB GLU 11 2HB GLU 11 0.302 5.986 11.441 88 2HB GLU 11 3HB GLU 11 -1.086 6.546 12.353 89 1HG GLU 11 2HG GLU 11 0.229 5.651 14.457 90 2HG GLU 11 3HG GLU 11 1.627 5.674 13.400 91 H LYS 12 HN LYS 12 -2.291 4.574 10.296 92 HA LYS 12 HA LYS 12 -4.675 5.403 11.393 93 1HB LYS 12 2HB LYS 12 -3.900 5.292 8.943 94 2HB LYS 12 3HB LYS 12 -4.467 3.634 8.953 95 1HG LYS 12 2HG LYS 12 -6.540 5.191 10.163 96 2HG LYS 12 3HG LYS 12 -6.016 6.089 8.753 97 1HD LYS 12 2HD LYS 12 -6.532 4.303 7.261 98 2HD LYS 12 3HD LYS 12 -6.534 3.106 8.542 99 1HE LYS 12 2HE LYS 12 -8.515 5.201 9.081 100 2HE LYS 12 3HE LYS 12 -8.780 4.491 7.501 101 1HZ LYS 12 1HZ LYS 12 -9.909 3.239 9.164 102 2HZ LYS 12 2HZ LYS 12 -8.704 2.314 8.565 103 3HZ LYS 12 3HZ LYS 12 -8.543 3.016 10.031 104 H TYR 13 HN TYR 13 -3.135 2.233 11.405 105 HA TYR 13 HA TYR 13 -5.620 0.969 12.261 106 1HB TYR 13 2HB TYR 13 -2.884 0.264 11.196 107 2HB TYR 13 3HB TYR 13 -3.538 -0.890 12.341 108 HD1 TYR 13 HD1 TYR 13 -3.861 0.536 8.982 109 HD2 TYR 13 HD2 TYR 13 -5.565 -2.190 11.805 110 HE1 TYR 13 HE1 TYR 13 -5.230 -0.538 7.129 111 HE2 TYR 13 HE2 TYR 13 -6.928 -3.255 9.942 112 HH TYR 13 HH TYR 13 -7.551 -3.115 7.865 113 H ALA 14 HN ALA 14 -2.299 1.778 13.412 114 HA ALA 14 HA ALA 14 -2.513 0.447 15.867 115 1HB ALA 14 1HB ALA 14 -0.895 2.963 15.472 116 2HB ALA 14 2HB ALA 14 -0.470 1.472 16.347 117 3HB ALA 14 3HB ALA 14 -0.478 1.487 14.567 118 H ALA 15 HN ALA 15 -3.956 3.377 14.617 119 HA ALA 15 HA ALA 15 -4.407 4.492 17.243 120 1HB ALA 15 1HB ALA 15 -5.808 5.466 14.777 121 2HB ALA 15 2HB ALA 15 -5.060 6.388 16.104 122 3HB ALA 15 3HB ALA 15 -4.038 5.641 14.852 123 H LYS 16 HN LYS 16 -5.893 2.236 15.021 124 HA LYS 16 HA LYS 16 -8.567 2.591 15.602 125 1HB LYS 16 2HB LYS 16 -7.004 0.815 14.130 126 2HB LYS 16 3HB LYS 16 -7.790 -0.211 15.313 127 1HG LYS 16 2HG LYS 16 -9.992 1.012 14.687 128 2HG LYS 16 3HG LYS 16 -9.117 1.674 13.321 129 1HD LYS 16 2HD LYS 16 -8.934 -0.389 12.245 130 2HD LYS 16 3HD LYS 16 -8.926 -1.297 13.744 131 1HE LYS 16 2HE LYS 16 -11.061 -1.797 12.883 132 2HE LYS 16 3HE LYS 16 -11.416 -0.492 13.998 133 1HZ LYS 16 1HZ LYS 16 -10.721 0.317 11.328 134 2HZ LYS 16 2HZ LYS 16 -12.141 -0.478 11.471 135 3HZ LYS 16 3HZ LYS 16 -11.882 0.891 12.323 136 H GLU 17 HN GLU 17 -6.351 0.140 17.127 137 HA GLU 17 HA GLU 17 -7.980 0.480 19.525 138 1HB GLU 17 2HB GLU 17 -6.762 -2.029 18.318 139 2HB GLU 17 3HB GLU 17 -7.233 -1.963 20.005 140 1HG GLU 17 2HG GLU 17 -9.454 -0.884 18.644 141 2HG GLU 17 3HG GLU 17 -8.923 -2.191 17.605 142 H GLY 18 HN GLY 18 -6.894 1.016 21.399 143 1HA GLY 18 1HA GLY 18 -5.194 1.452 22.807 144 2HA GLY 18 2HA GLY 18 -4.229 0.266 21.950 145 H ASP 19 HN ASP 19 -2.690 2.230 22.735 146 HA ASP 19 HA ASP 19 -2.719 4.591 21.352 147 1HB ASP 19 2HB ASP 19 -1.191 3.586 23.322 148 2HB ASP 19 3HB ASP 19 -0.093 3.246 21.999 149 HA PRO 20 HA PRO 20 -1.369 3.244 17.390 150 1HB PRO 20 2HB PRO 20 -0.780 5.659 16.254 151 2HB PRO 20 3HB PRO 20 -2.407 5.016 16.349 152 1HG PRO 20 2HG PRO 20 -1.169 7.171 17.950 153 2HG PRO 20 3HG PRO 20 -2.869 6.807 17.727 154 1HD PRO 20 2HD PRO 20 -1.274 6.211 20.036 155 2HD PRO 20 3HD PRO 20 -2.941 5.745 19.765 156 H ASN 21 HN ASN 21 0.592 4.323 19.763 157 HA ASN 21 HA ASN 21 2.927 4.395 18.088 158 1HB ASN 21 2HB ASN 21 2.492 4.722 21.099 159 2HB ASN 21 3HB ASN 21 4.085 4.754 20.370 160 1HD2 ASN 21 1HD2 ASN 21 4.399 6.284 18.549 161 2HD2 ASN 21 2HD2 ASN 21 3.666 7.850 18.644 162 H GLN 22 HN GLN 22 0.959 2.011 19.265 163 HA GLN 22 HA GLN 22 3.126 0.130 19.318 164 1HB GLN 22 2HB GLN 22 2.034 -0.950 21.435 165 2HB GLN 22 3HB GLN 22 3.114 0.413 21.648 166 1HG GLN 22 2HG GLN 22 0.523 1.529 21.195 167 2HG GLN 22 3HG GLN 22 0.285 0.201 22.314 168 1HE2 GLN 22 1HE2 GLN 22 2.609 2.831 21.688 169 2HE2 GLN 22 2HE2 GLN 22 2.815 3.338 23.331 170 H LEU 23 HN LEU 23 2.537 -1.726 18.235 171 HA LEU 23 HA LEU 23 -0.254 -1.890 17.429 172 1HB LEU 23 2HB LEU 23 2.325 -3.029 16.399 173 2HB LEU 23 3HB LEU 23 0.789 -3.727 15.924 174 HG LEU 23 HG LEU 23 1.921 -1.934 14.423 175 1HD1 LEU 23 1HD1 LEU 23 -0.987 -1.409 15.001 176 2HD1 LEU 23 2HD1 LEU 23 -0.130 -1.437 13.441 177 3HD1 LEU 23 3HD1 LEU 23 -0.445 -2.958 14.311 178 1HD2 LEU 23 1HD2 LEU 23 2.364 -0.238 16.057 179 2HD2 LEU 23 2HD2 LEU 23 1.138 0.383 14.925 180 3HD2 LEU 23 3HD2 LEU 23 0.652 -0.182 16.542 181 H SER 24 HN SER 24 -1.523 -3.798 17.707 182 HA SER 24 HA SER 24 -0.433 -5.540 19.778 183 1HB SER 24 2HB SER 24 -3.231 -4.422 19.397 184 2HB SER 24 3HB SER 24 -2.958 -5.860 20.360 185 HG SER 24 HG SER 24 -1.206 -4.353 21.421 186 H LYS 25 HN LYS 25 -1.535 -7.790 19.783 187 HA LYS 25 HA LYS 25 -1.189 -8.988 17.320 188 1HB LYS 25 2HB LYS 25 -1.025 -10.154 19.469 189 2HB LYS 25 3HB LYS 25 -2.745 -9.953 19.738 190 1HG LYS 25 2HG LYS 25 -2.801 -11.107 17.254 191 2HG LYS 25 3HG LYS 25 -1.317 -11.807 17.869 192 1HD LYS 25 2HD LYS 25 -3.339 -11.901 19.954 193 2HD LYS 25 3HD LYS 25 -4.008 -12.578 18.482 194 1HE LYS 25 2HE LYS 25 -2.313 -14.257 18.335 195 2HE LYS 25 3HE LYS 25 -1.239 -13.402 19.423 196 1HZ LYS 25 1HZ LYS 25 -3.830 -14.212 20.441 197 2HZ LYS 25 2HZ LYS 25 -2.694 -15.367 20.242 198 3HZ LYS 25 3HZ LYS 25 -2.400 -14.093 21.221 199 H GLU 26 HN GLU 26 -4.325 -8.351 19.053 200 HA GLU 26 HA GLU 26 -5.927 -9.133 16.984 201 1HB GLU 26 2HB GLU 26 -6.224 -7.853 19.529 202 2HB GLU 26 3HB GLU 26 -7.150 -6.909 18.379 203 1HG GLU 26 2HG GLU 26 -7.778 -9.529 17.644 204 2HG GLU 26 3HG GLU 26 -7.635 -9.653 19.387 205 H GLU 27 HN GLU 27 -4.338 -5.975 17.621 206 HA GLU 27 HA GLU 27 -5.722 -4.551 15.683 207 1HB GLU 27 2HB GLU 27 -3.401 -4.165 17.429 208 2HB GLU 27 3HB GLU 27 -3.147 -3.409 15.868 209 1HG GLU 27 2HG GLU 27 -5.854 -2.837 16.640 210 2HG GLU 27 3HG GLU 27 -4.850 -2.534 18.044 211 H LEU 28 HN LEU 28 -2.443 -6.123 15.584 212 HA LEU 28 HA LEU 28 -1.878 -5.528 12.949 213 1HB LEU 28 2HB LEU 28 -0.544 -6.664 14.948 214 2HB LEU 28 3HB LEU 28 -1.005 -8.131 14.107 215 HG LEU 28 HG LEU 28 0.260 -7.620 12.217 216 1HD1 LEU 28 1HD1 LEU 28 0.113 -4.752 13.130 217 2HD1 LEU 28 2HD1 LEU 28 1.318 -5.293 11.938 218 3HD1 LEU 28 3HD1 LEU 28 -0.419 -5.474 11.593 219 1HD2 LEU 28 1HD2 LEU 28 2.500 -7.121 13.012 220 2HD2 LEU 28 2HD2 LEU 28 1.840 -6.434 14.516 221 3HD2 LEU 28 3HD2 LEU 28 1.650 -8.170 14.173 222 H LYS 29 HN LYS 29 -3.798 -8.205 14.390 223 HA LYS 29 HA LYS 29 -4.082 -9.833 12.235 224 1HB LYS 29 2HB LYS 29 -4.959 -10.321 14.461 225 2HB LYS 29 3HB LYS 29 -6.163 -9.058 14.300 226 1HG LYS 29 2HG LYS 29 -7.363 -10.237 12.609 227 2HG LYS 29 3HG LYS 29 -6.001 -11.272 12.230 228 1HD LYS 29 2HD LYS 29 -6.833 -12.823 13.656 229 2HD LYS 29 3HD LYS 29 -6.518 -11.726 14.985 230 1HE LYS 29 2HE LYS 29 -9.074 -11.723 13.307 231 2HE LYS 29 3HE LYS 29 -8.918 -12.482 14.880 232 1HZ LYS 29 1HZ LYS 29 -9.429 -10.522 15.709 233 2HZ LYS 29 2HZ LYS 29 -7.985 -9.944 15.211 234 3HZ LYS 29 3HZ LYS 29 -9.306 -9.766 14.267 235 H LEU 30 HN LEU 30 -6.213 -6.998 13.040 236 HA LEU 30 HA LEU 30 -7.749 -7.124 10.756 237 1HB LEU 30 2HB LEU 30 -6.920 -4.683 12.331 238 2HB LEU 30 3HB LEU 30 -8.268 -4.776 11.214 239 HG LEU 30 HG LEU 30 -8.002 -5.850 13.983 240 1HD1 LEU 30 1HD1 LEU 30 -9.234 -3.769 13.482 241 2HD1 LEU 30 2HD1 LEU 30 -10.352 -4.698 12.455 242 3HD1 LEU 30 3HD1 LEU 30 -10.267 -5.027 14.202 243 1HD2 LEU 30 1HD2 LEU 30 -9.746 -7.166 11.882 244 2HD2 LEU 30 2HD2 LEU 30 -8.368 -7.901 12.735 245 3HD2 LEU 30 3HD2 LEU 30 -9.837 -7.455 13.636 246 H LEU 31 HN LEU 31 -4.789 -5.098 11.353 247 HA LEU 31 HA LEU 31 -4.603 -3.986 8.867 248 1HB LEU 31 2HB LEU 31 -3.232 -3.677 11.047 249 2HB LEU 31 3HB LEU 31 -2.178 -4.906 10.377 250 HG LEU 31 HG LEU 31 -2.793 -2.729 8.494 251 1HD1 LEU 31 1HD1 LEU 31 -0.787 -1.665 10.245 252 2HD1 LEU 31 2HD1 LEU 31 -2.327 -0.942 9.719 253 3HD1 LEU 31 3HD1 LEU 31 -2.276 -1.971 11.172 254 1HD2 LEU 31 1HD2 LEU 31 -0.768 -3.240 7.668 255 2HD2 LEU 31 2HD2 LEU 31 -0.009 -3.310 9.277 256 3HD2 LEU 31 3HD2 LEU 31 -0.930 -4.706 8.665 257 H LEU 32 HN LEU 32 -2.752 -6.933 9.932 258 HA LEU 32 HA LEU 32 -1.807 -7.642 7.479 259 1HB LEU 32 2HB LEU 32 -2.722 -9.519 9.662 260 2HB LEU 32 3HB LEU 32 -1.583 -9.885 8.382 261 HG LEU 32 HG LEU 32 -1.094 -7.716 10.434 262 1HD1 LEU 32 1HD1 LEU 32 -1.259 -9.615 11.786 263 2HD1 LEU 32 2HD1 LEU 32 -0.502 -10.669 10.568 264 3HD1 LEU 32 3HD1 LEU 32 0.482 -9.474 11.446 265 1HD2 LEU 32 1HD2 LEU 32 0.858 -7.344 9.420 266 2HD2 LEU 32 2HD2 LEU 32 1.199 -9.081 9.235 267 3HD2 LEU 32 3HD2 LEU 32 0.177 -8.243 8.043 268 H GLN 33 HN GLN 33 -5.107 -7.719 8.659 269 HA GLN 33 HA GLN 33 -6.032 -9.697 6.909 270 1HB GLN 33 2HB GLN 33 -7.082 -8.261 9.034 271 2HB GLN 33 3HB GLN 33 -7.959 -7.577 7.681 272 1HG GLN 33 2HG GLN 33 -9.046 -9.570 7.183 273 2HG GLN 33 3HG GLN 33 -7.702 -10.565 7.707 274 1HE2 GLN 33 1HE2 GLN 33 -10.635 -10.527 8.312 275 2HE2 GLN 33 2HE2 GLN 33 -10.767 -10.542 10.039 276 H THR 34 HN THR 34 -6.370 -6.070 6.813 277 HA THR 34 HA THR 34 -7.121 -6.228 4.017 278 HB THR 34 HB THR 34 -7.273 -4.305 6.284 279 HG1 THR 34 HG1 THR 34 -9.306 -4.186 5.283 280 1HG2 THR 34 1HG2 THR 34 -7.532 -2.358 4.694 281 2HG2 THR 34 2HG2 THR 34 -5.848 -2.921 4.805 282 3HG2 THR 34 3HG2 THR 34 -6.844 -3.366 3.399 283 H GLU 35 HN GLU 35 -4.436 -4.833 6.004 284 HA GLU 35 HA GLU 35 -3.025 -3.687 4.026 285 1HB GLU 35 2HB GLU 35 -2.282 -3.461 6.290 286 2HB GLU 35 3HB GLU 35 -2.119 -5.193 6.503 287 1HG GLU 35 2HG GLU 35 0.111 -4.282 6.213 288 2HG GLU 35 3HG GLU 35 -0.277 -5.190 4.766 289 H PHE 36 HN PHE 36 -2.571 -7.117 5.170 290 HA PHE 36 HA PHE 36 -2.062 -7.900 2.436 291 1HB PHE 36 2HB PHE 36 -0.036 -7.501 4.582 292 2HB PHE 36 3HB PHE 36 0.001 -9.136 3.952 293 HD1 PHE 36 HD1 PHE 36 1.126 -9.599 1.960 294 HD2 PHE 36 HD2 PHE 36 0.116 -5.580 2.870 295 HE1 PHE 36 HE1 PHE 36 2.489 -8.814 0.004 296 HE2 PHE 36 HE2 PHE 36 1.479 -4.794 0.914 297 HZ PHE 36 HZ PHE 36 2.649 -6.421 -0.496 298 HA PRO 37 HA PRO 37 -4.296 -11.039 4.709 299 1HB PRO 37 2HB PRO 37 -6.030 -11.705 2.705 300 2HB PRO 37 3HB PRO 37 -6.384 -10.486 3.912 301 1HG PRO 37 2HG PRO 37 -5.623 -10.122 1.079 302 2HG PRO 37 3HG PRO 37 -6.382 -8.977 2.168 303 1HD PRO 37 2HD PRO 37 -3.631 -9.009 1.355 304 2HD PRO 37 3HD PRO 37 -4.364 -7.937 2.531 305 H SER 38 HN SER 38 -2.079 -11.006 2.342 306 HA SER 38 HA SER 38 -2.368 -13.776 1.665 307 1HB SER 38 2HB SER 38 -1.419 -11.694 0.247 308 2HB SER 38 3HB SER 38 0.096 -12.190 0.975 309 HG SER 38 HG SER 38 -1.624 -14.105 -0.324 310 H LEU 39 HN LEU 39 -0.453 -11.658 3.804 311 HA LEU 39 HA LEU 39 1.538 -13.570 4.410 312 1HB LEU 39 2HB LEU 39 0.930 -10.859 5.010 313 2HB LEU 39 3HB LEU 39 1.154 -11.698 6.532 314 HG LEU 39 HG LEU 39 3.184 -10.571 5.399 315 1HD1 LEU 39 1HD1 LEU 39 4.682 -12.079 6.439 316 2HD1 LEU 39 2HD1 LEU 39 3.172 -12.147 7.380 317 3HD1 LEU 39 3HD1 LEU 39 3.567 -13.451 6.234 318 1HD2 LEU 39 1HD2 LEU 39 3.469 -13.168 3.916 319 2HD2 LEU 39 2HD2 LEU 39 2.590 -11.804 3.184 320 3HD2 LEU 39 3HD2 LEU 39 4.294 -11.612 3.659 321 H LEU 40 HN LEU 40 -1.807 -13.194 5.286 322 HA LEU 40 HA LEU 40 -1.601 -14.505 7.810 323 1HB LEU 40 2HB LEU 40 -3.925 -13.849 6.000 324 2HB LEU 40 3HB LEU 40 -4.100 -14.634 7.557 325 HG LEU 40 HG LEU 40 -2.814 -11.917 7.184 326 1HD1 LEU 40 1HD1 LEU 40 -5.684 -12.694 7.630 327 2HD1 LEU 40 2HD1 LEU 40 -5.047 -11.157 8.261 328 3HD1 LEU 40 3HD1 LEU 40 -4.992 -11.492 6.514 329 1HD2 LEU 40 1HD2 LEU 40 -2.827 -13.703 9.366 330 2HD2 LEU 40 2HD2 LEU 40 -2.285 -12.008 9.335 331 3HD2 LEU 40 3HD2 LEU 40 -3.965 -12.397 9.777 332 H LYS 41 HN LYS 41 -1.882 -15.461 4.416 333 HA LYS 41 HA LYS 41 -2.819 -18.084 4.955 334 1HB LYS 41 2HB LYS 41 -2.838 -18.341 2.693 335 2HB LYS 41 3HB LYS 41 -2.836 -16.591 2.765 336 1HG LYS 41 2HG LYS 41 -1.079 -16.921 1.275 337 2HG LYS 41 3HG LYS 41 -0.184 -16.890 2.781 338 1HD LYS 41 2HD LYS 41 0.086 -19.248 2.828 339 2HD LYS 41 3HD LYS 41 -1.268 -19.527 1.752 340 1HE LYS 41 2HE LYS 41 0.892 -17.875 0.549 341 2HE LYS 41 3HE LYS 41 1.402 -19.494 0.982 342 1HZ LYS 41 1HZ LYS 41 -0.879 -18.790 -0.729 343 2HZ LYS 41 2HZ LYS 41 0.509 -19.516 -1.194 344 3HZ LYS 41 3HZ LYS 41 -0.548 -20.312 -0.237 345 H GLY 42 HN GLY 42 0.373 -16.493 4.723 346 1HA GLY 42 1HA GLY 42 2.126 -18.501 4.380 347 2HA GLY 42 2HA GLY 42 2.365 -17.204 5.535 348 H MET 43 HN MET 43 3.480 -19.732 6.012 349 HA MET 43 HA MET 43 1.743 -21.307 7.577 350 1HB MET 43 2HB MET 43 4.807 -21.181 7.410 351 2HB MET 43 3HB MET 43 3.916 -22.476 8.185 352 1HG MET 43 2HG MET 43 2.955 -23.213 6.099 353 2HG MET 43 3HG MET 43 3.407 -21.734 5.275 354 1HE MET 43 1HE MET 43 5.108 -24.971 4.003 355 2HE MET 43 2HE MET 43 5.055 -25.550 5.685 356 3HE MET 43 3HE MET 43 3.622 -24.780 4.963 357 H SER 44 HN SER 44 3.010 -18.263 8.143 358 HA SER 44 HA SER 44 3.633 -18.738 10.912 359 1HB SER 44 2HB SER 44 3.581 -16.145 9.303 360 2HB SER 44 3HB SER 44 4.187 -16.307 10.940 361 HG SER 44 HG SER 44 5.639 -18.065 9.900 362 H THR 45 HN THR 45 1.734 -19.189 12.052 363 HA THR 45 HA THR 45 -0.741 -17.965 11.471 364 HB THR 45 HB THR 45 -1.375 -19.076 13.643 365 HG1 THR 45 HG1 THR 45 0.543 -20.202 14.646 366 1HG2 THR 45 1HG2 THR 45 -1.266 -20.598 11.706 367 2HG2 THR 45 2HG2 THR 45 0.506 -20.695 11.846 368 3HG2 THR 45 3HG2 THR 45 -0.527 -21.409 13.108 369 H LEU 46 HN LEU 46 -2.008 -16.747 13.259 370 HA LEU 46 HA LEU 46 -0.943 -14.229 13.463 371 1HB LEU 46 2HB LEU 46 -3.345 -15.250 13.830 372 2HB LEU 46 3HB LEU 46 -2.871 -15.225 15.517 373 HG LEU 46 HG LEU 46 -2.194 -12.679 14.655 374 1HD1 LEU 46 1HD1 LEU 46 -4.693 -12.167 13.719 375 2HD1 LEU 46 2HD1 LEU 46 -3.252 -12.375 12.696 376 3HD1 LEU 46 3HD1 LEU 46 -4.362 -13.742 12.958 377 1HD2 LEU 46 1HD2 LEU 46 -4.762 -13.599 15.977 378 2HD2 LEU 46 2HD2 LEU 46 -3.215 -13.271 16.794 379 3HD2 LEU 46 3HD2 LEU 46 -4.101 -11.946 16.002 380 H ASP 47 HN ASP 47 -1.306 -16.573 16.223 381 HA ASP 47 HA ASP 47 0.036 -15.226 18.077 382 1HB ASP 47 2HB ASP 47 -0.702 -17.951 17.602 383 2HB ASP 47 3HB ASP 47 0.970 -17.986 18.127 384 H GLU 48 HN GLU 48 1.468 -17.531 15.642 385 HA GLU 48 HA GLU 48 4.074 -17.292 16.418 386 1HB GLU 48 2HB GLU 48 2.594 -18.327 14.142 387 2HB GLU 48 3HB GLU 48 4.060 -17.551 13.576 388 1HG GLU 48 2HG GLU 48 5.134 -18.906 15.654 389 2HG GLU 48 3HG GLU 48 3.749 -19.944 15.378 390 H LEU 49 HN LEU 49 2.158 -15.272 14.116 391 HA LEU 49 HA LEU 49 4.328 -13.675 13.315 392 1HB LEU 49 2HB LEU 49 1.768 -14.055 12.498 393 2HB LEU 49 3HB LEU 49 1.618 -12.505 13.302 394 HG LEU 49 HG LEU 49 3.807 -11.994 11.814 395 1HD1 LEU 49 1HD1 LEU 49 2.210 -13.852 10.039 396 2HD1 LEU 49 2HD1 LEU 49 3.724 -12.998 9.657 397 3HD1 LEU 49 3HD1 LEU 49 3.723 -14.316 10.854 398 1HD2 LEU 49 1HD2 LEU 49 1.696 -11.492 10.036 399 2HD2 LEU 49 2HD2 LEU 49 0.976 -11.434 11.663 400 3HD2 LEU 49 3HD2 LEU 49 2.367 -10.396 11.267 401 H PHE 50 HN PHE 50 1.833 -13.358 15.906 402 HA PHE 50 HA PHE 50 2.541 -10.819 16.743 403 1HB PHE 50 2HB PHE 50 0.546 -12.331 17.384 404 2HB PHE 50 3HB PHE 50 1.642 -13.259 18.389 405 HD1 PHE 50 HD1 PHE 50 1.508 -9.565 17.988 406 HD2 PHE 50 HD2 PHE 50 0.813 -12.884 20.540 407 HE1 PHE 50 HE1 PHE 50 1.075 -8.002 19.904 408 HE2 PHE 50 HE2 PHE 50 0.380 -11.320 22.456 409 HZ PHE 50 HZ PHE 50 0.517 -8.898 22.114 410 H GLU 51 HN GLU 51 3.634 -14.045 18.022 411 HA GLU 51 HA GLU 51 5.420 -12.872 19.828 412 1HB GLU 51 2HB GLU 51 6.189 -15.142 20.235 413 2HB GLU 51 3HB GLU 51 4.448 -15.176 20.038 414 1HG GLU 51 2HG GLU 51 5.153 -16.977 18.685 415 2HG GLU 51 3HG GLU 51 4.934 -15.687 17.519 416 H GLU 52 HN GLU 52 5.717 -14.151 16.478 417 HA GLU 52 HA GLU 52 8.477 -14.094 16.358 418 1HB GLU 52 2HB GLU 52 7.155 -15.266 14.685 419 2HB GLU 52 3HB GLU 52 6.353 -13.786 14.196 420 1HG GLU 52 2HG GLU 52 8.654 -12.867 13.538 421 2HG GLU 52 3HG GLU 52 9.306 -14.467 13.832 422 H LEU 53 HN LEU 53 6.050 -11.638 15.205 423 HA LEU 53 HA LEU 53 7.869 -9.745 14.372 424 1HB LEU 53 2HB LEU 53 5.125 -9.342 15.571 425 2HB LEU 53 3HB LEU 53 6.022 -8.147 14.655 426 HG LEU 53 HG LEU 53 5.456 -10.803 13.385 427 1HD1 LEU 53 1HD1 LEU 53 3.388 -9.265 14.490 428 2HD1 LEU 53 2HD1 LEU 53 3.379 -8.897 12.749 429 3HD1 LEU 53 3HD1 LEU 53 3.249 -10.584 13.302 430 1HD2 LEU 53 1HD2 LEU 53 6.056 -9.789 11.484 431 2HD2 LEU 53 2HD2 LEU 53 5.119 -8.321 11.854 432 3HD2 LEU 53 3HD2 LEU 53 6.748 -8.535 12.540 433 H ASP 54 HN ASP 54 6.290 -10.107 17.620 434 HA ASP 54 HA ASP 54 7.703 -7.968 18.715 435 1HB ASP 54 2HB ASP 54 5.599 -8.927 19.664 436 2HB ASP 54 3HB ASP 54 6.448 -10.409 20.058 437 H LYS 55 HN LYS 55 9.410 -8.183 20.483 438 HA LYS 55 HA LYS 55 10.765 -10.647 20.816 439 1HB LYS 55 2HB LYS 55 11.499 -10.073 18.507 440 2HB LYS 55 3HB LYS 55 12.180 -8.576 19.111 441 1HG LYS 55 2HG LYS 55 14.069 -9.663 19.727 442 2HG LYS 55 3HG LYS 55 13.145 -10.682 20.814 443 1HD LYS 55 2HD LYS 55 12.741 -11.534 18.046 444 2HD LYS 55 3HD LYS 55 14.453 -11.468 18.413 445 1HE LYS 55 2HE LYS 55 13.769 -12.738 20.634 446 2HE LYS 55 3HE LYS 55 12.298 -13.122 19.763 447 1HZ LYS 55 1HZ LYS 55 15.003 -13.672 18.755 448 2HZ LYS 55 2HZ LYS 55 14.040 -14.775 19.478 449 3HZ LYS 55 3HZ LYS 55 13.600 -14.120 18.048 450 H ASN 56 HN ASN 56 10.849 -7.046 20.921 451 HA ASN 56 HA ASN 56 12.734 -6.715 22.825 452 1HB ASN 56 2HB ASN 56 11.234 -4.675 23.526 453 2HB ASN 56 3HB ASN 56 11.828 -4.729 21.878 454 1HD2 ASN 56 1HD2 ASN 56 10.388 -4.189 20.445 455 2HD2 ASN 56 2HD2 ASN 56 8.687 -4.511 20.480 456 H GLY 57 HN GLY 57 9.569 -8.198 23.052 457 1HA GLY 57 1HA GLY 57 8.589 -9.312 24.756 458 2HA GLY 57 2HA GLY 57 9.971 -8.959 25.774 459 H ASP 58 HN ASP 58 7.316 -7.082 24.127 460 HA ASP 58 HA ASP 58 6.828 -5.855 26.719 461 1HB ASP 58 2HB ASP 58 6.526 -4.304 24.129 462 2HB ASP 58 3HB ASP 58 6.646 -3.675 25.760 463 H GLY 59 HN GLY 59 5.687 -6.246 23.279 464 1HA GLY 59 1HA GLY 59 3.598 -7.566 23.074 465 2HA GLY 59 2HA GLY 59 2.925 -6.519 24.308 466 H GLU 60 HN GLU 60 5.067 -4.618 22.527 467 HA GLU 60 HA GLU 60 2.847 -3.676 20.895 468 1HB GLU 60 2HB GLU 60 5.358 -2.133 21.666 469 2HB GLU 60 3HB GLU 60 3.901 -1.482 20.940 470 1HG GLU 60 2HG GLU 60 3.193 -1.045 23.056 471 2HG GLU 60 3HG GLU 60 2.915 -2.768 23.216 472 H VAL 61 HN VAL 61 2.962 -3.974 18.711 473 HA VAL 61 HA VAL 61 5.544 -4.811 17.633 474 HB VAL 61 HB VAL 61 2.686 -5.070 16.703 475 1HG1 VAL 61 1HG1 VAL 61 5.157 -5.092 15.119 476 2HG1 VAL 61 2HG1 VAL 61 4.195 -6.579 14.946 477 3HG1 VAL 61 3HG1 VAL 61 3.459 -4.997 14.596 478 1HG2 VAL 61 1HG2 VAL 61 2.871 -7.332 17.167 479 2HG2 VAL 61 2HG2 VAL 61 4.646 -7.325 17.043 480 3HG2 VAL 61 3HG2 VAL 61 3.851 -6.620 18.471 481 H SER 62 HN SER 62 5.726 -2.201 18.241 482 HA SER 62 HA SER 62 4.661 -0.328 16.649 483 1HB SER 62 2HB SER 62 7.509 0.201 16.936 484 2HB SER 62 3HB SER 62 6.156 0.985 17.726 485 HG SER 62 HG SER 62 7.711 -1.256 18.593 486 H PHE 63 HN PHE 63 5.786 0.939 14.788 487 HA PHE 63 HA PHE 63 5.927 -0.596 12.551 488 1HB PHE 63 2HB PHE 63 5.898 2.026 13.069 489 2HB PHE 63 3HB PHE 63 7.645 1.896 13.008 490 HD1 PHE 63 HD1 PHE 63 4.954 0.373 10.909 491 HD2 PHE 63 HD2 PHE 63 8.394 2.853 11.051 492 HE1 PHE 63 HE1 PHE 63 4.884 0.613 8.411 493 HE2 PHE 63 HE2 PHE 63 8.325 3.093 8.553 494 HZ PHE 63 HZ PHE 63 6.571 1.969 7.263 495 H GLU 64 HN GLU 64 8.491 0.101 14.925 496 HA GLU 64 HA GLU 64 10.696 -0.436 13.443 497 1HB GLU 64 2HB GLU 64 11.549 -1.425 15.754 498 2HB GLU 64 3HB GLU 64 11.190 0.283 15.594 499 1HG GLU 64 2HG GLU 64 9.491 0.158 17.099 500 2HG GLU 64 3HG GLU 64 8.759 -1.198 16.263 501 H GLU 65 HN GLU 65 8.674 -2.806 15.317 502 HA GLU 65 HA GLU 65 10.168 -4.994 14.363 503 1HB GLU 65 2HB GLU 65 7.406 -4.898 15.656 504 2HB GLU 65 3HB GLU 65 8.355 -6.353 15.426 505 1HG GLU 65 2HG GLU 65 10.229 -5.191 16.771 506 2HG GLU 65 3HG GLU 65 9.054 -3.953 17.173 507 H PHE 66 HN PHE 66 7.335 -3.177 13.246 508 HA PHE 66 HA PHE 66 6.201 -5.079 11.581 509 1HB PHE 66 2HB PHE 66 5.408 -2.716 12.308 510 2HB PHE 66 3HB PHE 66 6.537 -2.053 11.144 511 HD1 PHE 66 HD1 PHE 66 5.829 -1.653 8.970 512 HD2 PHE 66 HD2 PHE 66 3.653 -4.404 11.359 513 HE1 PHE 66 HE1 PHE 66 4.082 -1.829 7.176 514 HE2 PHE 66 HE2 PHE 66 1.907 -4.580 9.565 515 HZ PHE 66 HZ PHE 66 2.142 -3.291 7.495 516 H GLN 67 HN GLN 67 9.003 -2.887 11.116 517 HA GLN 67 HA GLN 67 9.201 -3.175 8.379 518 1HB GLN 67 2HB GLN 67 11.429 -2.745 10.418 519 2HB GLN 67 3HB GLN 67 11.563 -2.439 8.698 520 1HG GLN 67 2HG GLN 67 9.238 -1.040 9.410 521 2HG GLN 67 3HG GLN 67 10.282 -0.803 10.798 522 1HE2 GLN 67 1HE2 GLN 67 9.536 1.285 9.206 523 2HE2 GLN 67 2HE2 GLN 67 10.889 1.907 8.322 524 H VAL 68 HN VAL 68 9.595 -5.500 10.875 525 HA VAL 68 HA VAL 68 11.615 -7.058 9.574 526 HB VAL 68 HB VAL 68 9.687 -7.774 11.791 527 1HG1 VAL 68 1HG1 VAL 68 10.552 -9.821 11.279 528 2HG1 VAL 68 2HG1 VAL 68 12.020 -9.141 10.537 529 3HG1 VAL 68 3HG1 VAL 68 11.880 -9.234 12.309 530 1HG2 VAL 68 1HG2 VAL 68 11.271 -5.703 12.056 531 2HG2 VAL 68 2HG2 VAL 68 11.152 -6.905 13.363 532 3HG2 VAL 68 3HG2 VAL 68 12.539 -6.937 12.248 533 H LEU 69 HN LEU 69 8.044 -6.886 9.678 534 HA LEU 69 HA LEU 69 7.733 -9.360 8.275 535 1HB LEU 69 2HB LEU 69 6.137 -8.277 9.944 536 2HB LEU 69 3HB LEU 69 5.680 -7.187 8.649 537 HG LEU 69 HG LEU 69 4.923 -9.084 7.286 538 1HD1 LEU 69 1HD1 LEU 69 5.985 -10.702 9.590 539 2HD1 LEU 69 2HD1 LEU 69 4.679 -11.324 8.553 540 3HD1 LEU 69 3HD1 LEU 69 6.256 -10.905 7.843 541 1HD2 LEU 69 1HD2 LEU 69 2.899 -8.974 8.215 542 2HD2 LEU 69 2HD2 LEU 69 3.452 -9.736 9.726 543 3HD2 LEU 69 3HD2 LEU 69 3.660 -7.985 9.483 544 H VAL 70 HN VAL 70 8.136 -5.924 7.488 545 HA VAL 70 HA VAL 70 7.080 -5.825 4.969 546 HB VAL 70 HB VAL 70 9.308 -4.480 6.415 547 1HG1 VAL 70 1HG1 VAL 70 9.770 -3.044 4.427 548 2HG1 VAL 70 2HG1 VAL 70 10.315 -4.727 4.231 549 3HG1 VAL 70 3HG1 VAL 70 8.822 -4.177 3.434 550 1HG2 VAL 70 1HG2 VAL 70 7.402 -3.347 6.910 551 2HG2 VAL 70 2HG2 VAL 70 7.765 -2.522 5.375 552 3HG2 VAL 70 3HG2 VAL 70 6.581 -3.851 5.413 553 H LYS 71 HN LYS 71 9.897 -7.587 6.151 554 HA LYS 71 HA LYS 71 11.122 -7.901 3.610 555 1HB LYS 71 2HB LYS 71 11.863 -8.308 6.233 556 2HB LYS 71 3HB LYS 71 11.666 -9.949 5.653 557 1HG LYS 71 2HG LYS 71 13.010 -8.883 3.524 558 2HG LYS 71 3HG LYS 71 13.631 -7.853 4.798 559 1HD LYS 71 2HD LYS 71 13.615 -10.596 5.747 560 2HD LYS 71 3HD LYS 71 14.399 -10.548 4.180 561 1HE LYS 71 2HE LYS 71 15.621 -8.397 5.242 562 2HE LYS 71 3HE LYS 71 15.208 -9.189 6.750 563 1HZ LYS 71 1HZ LYS 71 17.186 -9.889 4.880 564 2HZ LYS 71 2HZ LYS 71 16.966 -10.445 6.399 565 3HZ LYS 71 3HZ LYS 71 16.196 -11.160 5.149 566 H LYS 72 HN LYS 72 8.913 -9.914 5.650 567 HA LYS 72 HA LYS 72 8.795 -11.963 3.665 568 1HB LYS 72 2HB LYS 72 7.080 -11.497 6.123 569 2HB LYS 72 3HB LYS 72 7.125 -12.961 5.163 570 1HG LYS 72 2HG LYS 72 8.742 -13.634 6.631 571 2HG LYS 72 3HG LYS 72 9.810 -12.621 5.680 572 1HD LYS 72 2HD LYS 72 9.849 -10.914 7.265 573 2HD LYS 72 3HD LYS 72 8.223 -11.247 7.830 574 1HE LYS 72 2HE LYS 72 9.064 -13.355 8.930 575 2HE LYS 72 3HE LYS 72 10.689 -12.959 8.409 576 1HZ LYS 72 1HZ LYS 72 9.018 -11.287 10.155 577 2HZ LYS 72 2HZ LYS 72 10.275 -12.209 10.638 578 3HZ LYS 72 3HZ LYS 72 10.533 -10.920 9.670 579 H ILE 73 HN ILE 73 7.471 -8.831 3.959 580 HA ILE 73 HA ILE 73 4.928 -9.399 2.797 581 HB ILE 73 HB ILE 73 6.500 -6.926 3.436 582 1HG1 ILE 73 2HG1 ILE 73 3.764 -7.853 4.353 583 2HG1 ILE 73 3HG1 ILE 73 5.254 -8.214 5.203 584 1HG2 ILE 73 1HG2 ILE 73 4.756 -5.524 2.550 585 2HG2 ILE 73 2HG2 ILE 73 5.378 -6.567 1.248 586 3HG2 ILE 73 3HG2 ILE 73 3.821 -6.944 2.023 587 1HD1 ILE 73 1HD1 ILE 73 5.008 -5.351 4.517 588 2HD1 ILE 73 2HD1 ILE 73 3.699 -5.936 5.571 589 3HD1 ILE 73 3HD1 ILE 73 5.396 -6.115 6.077 590 H SER 74 HN SER 74 8.078 -8.055 1.612 591 HA SER 74 HA SER 74 7.118 -7.892 -1.033 592 1HB SER 74 2HB SER 74 9.004 -6.519 0.014 593 2HB SER 74 3HB SER 74 10.019 -7.943 -0.101 594 HG SER 74 HG SER 74 8.940 -6.313 -2.195 595 H GLN 75 HN GLN 75 9.113 -10.221 0.866 596 HA GLN 75 HA GLN 75 9.725 -11.822 -1.356 597 1HB GLN 75 2HB GLN 75 10.537 -11.659 1.312 598 2HB GLN 75 3HB GLN 75 9.696 -13.195 1.257 599 1HG GLN 75 2HG GLN 75 11.187 -14.125 -0.300 600 2HG GLN 75 3HG GLN 75 11.624 -12.568 -0.977 601 1HE2 GLN 75 1HE2 GLN 75 12.487 -11.023 0.892 602 2HE2 GLN 75 2HE2 GLN 75 13.804 -11.676 1.809 Start of MODEL 17 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 3.005 -0.537 -1.067 3 1HB LYS 1 2HB LYS 1 0.240 -0.712 -2.132 4 2HB LYS 1 3HB LYS 1 1.480 -0.297 -3.298 5 1HG LYS 1 2HG LYS 1 2.807 -2.285 -2.653 6 2HG LYS 1 3HG LYS 1 1.657 -2.677 -1.391 7 1HD LYS 1 2HD LYS 1 -0.137 -2.966 -3.113 8 2HD LYS 1 3HD LYS 1 1.012 -2.572 -4.376 9 1HE LYS 1 2HE LYS 1 2.231 -4.583 -4.089 10 2HE LYS 1 3HE LYS 1 1.664 -4.814 -2.446 11 1HZ LYS 1 1HZ LYS 1 -0.215 -5.756 -3.165 12 2HZ LYS 1 2HZ LYS 1 -0.381 -4.785 -4.467 13 3HZ LYS 1 3HZ LYS 1 0.639 -6.060 -4.523 14 H SER 2 HN SER 2 1.084 2.174 -0.240 15 HA SER 2 HA SER 2 2.068 3.865 -2.300 16 1HB SER 2 2HB SER 2 -0.052 3.965 -0.508 17 2HB SER 2 3HB SER 2 1.051 5.145 0.172 18 HG SER 2 HG SER 2 -0.571 5.397 -1.999 19 HA PRO 3 HA PRO 3 5.698 5.175 -0.291 20 1HB PRO 3 2HB PRO 3 6.009 7.731 -1.205 21 2HB PRO 3 3HB PRO 3 6.431 6.318 -2.151 22 1HG PRO 3 2HG PRO 3 4.097 8.109 -2.437 23 2HG PRO 3 3HG PRO 3 4.760 6.976 -3.598 24 1HD PRO 3 2HD PRO 3 2.407 6.614 -1.997 25 2HD PRO 3 3HD PRO 3 3.136 5.436 -3.072 26 H GLU 4 HN GLU 4 2.993 7.361 0.049 27 HA GLU 4 HA GLU 4 4.022 8.848 2.108 28 1HB GLU 4 2HB GLU 4 1.587 8.650 0.733 29 2HB GLU 4 3HB GLU 4 1.143 8.296 2.391 30 1HG GLU 4 2HG GLU 4 2.929 10.670 1.751 31 2HG GLU 4 3HG GLU 4 1.188 10.802 1.591 32 H GLU 5 HN GLU 5 2.505 5.608 2.088 33 HA GLU 5 HA GLU 5 2.111 5.454 4.841 34 1HB GLU 5 2HB GLU 5 1.906 3.701 2.511 35 2HB GLU 5 3HB GLU 5 2.562 2.827 3.881 36 1HG GLU 5 2HG GLU 5 0.480 4.354 5.006 37 2HG GLU 5 3HG GLU 5 -0.166 3.854 3.456 38 H LEU 6 HN LEU 6 4.898 4.766 2.703 39 HA LEU 6 HA LEU 6 6.431 3.325 4.523 40 1HB LEU 6 2HB LEU 6 6.955 4.931 2.064 41 2HB LEU 6 3HB LEU 6 8.321 4.462 3.058 42 HG LEU 6 HG LEU 6 6.304 2.555 1.840 43 1HD1 LEU 6 1HD1 LEU 6 8.901 2.099 0.828 44 2HD1 LEU 6 2HD1 LEU 6 7.469 2.704 -0.039 45 3HD1 LEU 6 3HD1 LEU 6 8.605 3.851 0.711 46 1HD2 LEU 6 1HD2 LEU 6 7.012 1.352 3.649 47 2HD2 LEU 6 2HD2 LEU 6 8.296 0.938 2.487 48 3HD2 LEU 6 3HD2 LEU 6 8.586 2.178 3.731 49 H LYS 7 HN LYS 7 5.978 6.854 4.017 50 HA LYS 7 HA LYS 7 8.013 7.587 5.841 51 1HB LYS 7 2HB LYS 7 6.613 8.879 3.906 52 2HB LYS 7 3HB LYS 7 5.769 9.458 5.327 53 1HG LYS 7 2HG LYS 7 7.473 10.880 5.776 54 2HG LYS 7 3HG LYS 7 8.572 9.526 5.945 55 1HD LYS 7 2HD LYS 7 9.501 10.910 4.214 56 2HD LYS 7 3HD LYS 7 8.816 9.520 3.396 57 1HE LYS 7 2HE LYS 7 6.751 11.542 3.674 58 2HE LYS 7 3HE LYS 7 8.181 12.291 2.993 59 1HZ LYS 7 1HZ LYS 7 6.919 9.842 1.970 60 2HZ LYS 7 2HZ LYS 7 6.779 11.328 1.306 61 3HZ LYS 7 3HZ LYS 7 8.228 10.575 1.325 62 H GLY 8 HN GLY 8 4.399 7.368 6.068 63 1HA GLY 8 1HA GLY 8 4.139 8.167 8.712 64 2HA GLY 8 2HA GLY 8 3.050 7.104 7.844 65 H ILE 9 HN ILE 9 4.335 4.777 7.390 66 HA ILE 9 HA ILE 9 4.319 3.505 9.833 67 HB ILE 9 HB ILE 9 5.201 2.845 7.075 68 1HG1 ILE 9 2HG1 ILE 9 3.362 1.389 8.991 69 2HG1 ILE 9 3HG1 ILE 9 2.831 2.683 7.935 70 1HG2 ILE 9 1HG2 ILE 9 6.105 1.377 9.535 71 2HG2 ILE 9 2HG2 ILE 9 5.762 0.491 8.029 72 3HG2 ILE 9 3HG2 ILE 9 7.002 1.768 8.048 73 1HD1 ILE 9 1HD1 ILE 9 2.395 0.568 6.815 74 2HD1 ILE 9 2HD1 ILE 9 3.734 1.372 5.961 75 3HD1 ILE 9 3HD1 ILE 9 4.071 0.030 7.080 76 H PHE 10 HN PHE 10 7.116 4.719 7.881 77 HA PHE 10 HA PHE 10 9.145 3.790 9.451 78 1HB PHE 10 2HB PHE 10 9.663 4.924 7.396 79 2HB PHE 10 3HB PHE 10 8.589 6.260 7.759 80 HD1 PHE 10 HD1 PHE 10 9.309 8.049 9.294 81 HD2 PHE 10 HD2 PHE 10 11.940 4.916 8.166 82 HE1 PHE 10 HE1 PHE 10 11.264 9.399 10.103 83 HE2 PHE 10 HE2 PHE 10 13.895 6.267 8.975 84 HZ PHE 10 HZ PHE 10 13.534 8.492 9.934 85 H GLU 11 HN GLU 11 7.481 7.016 9.733 86 HA GLU 11 HA GLU 11 8.894 7.769 11.992 87 1HB GLU 11 2HB GLU 11 6.924 8.881 10.304 88 2HB GLU 11 3HB GLU 11 6.186 8.886 11.894 89 1HG GLU 11 2HG GLU 11 8.798 9.750 12.420 90 2HG GLU 11 3HG GLU 11 8.452 10.488 10.869 91 H LYS 12 HN LYS 12 5.778 6.017 11.557 92 HA LYS 12 HA LYS 12 4.944 6.058 14.197 93 1HB LYS 12 2HB LYS 12 3.608 5.363 12.202 94 2HB LYS 12 3HB LYS 12 4.511 3.863 12.151 95 1HG LYS 12 2HG LYS 12 3.731 3.983 14.825 96 2HG LYS 12 3HG LYS 12 2.358 4.703 14.009 97 1HD LYS 12 2HD LYS 12 1.820 2.745 12.862 98 2HD LYS 12 3HD LYS 12 3.483 2.195 12.794 99 1HE LYS 12 2HE LYS 12 3.424 1.282 14.959 100 2HE LYS 12 3HE LYS 12 2.170 2.376 15.506 101 1HZ LYS 12 1HZ LYS 12 0.817 1.110 13.696 102 2HZ LYS 12 2HZ LYS 12 1.912 -0.069 13.978 103 3HZ LYS 12 3HZ LYS 12 0.986 0.495 15.199 104 H TYR 13 HN TYR 13 7.585 4.351 12.632 105 HA TYR 13 HA TYR 13 7.839 2.530 14.896 106 1HB TYR 13 2HB TYR 13 8.826 2.886 12.057 107 2HB TYR 13 3HB TYR 13 9.959 2.114 13.148 108 HD1 TYR 13 HD1 TYR 13 9.885 -0.200 13.372 109 HD2 TYR 13 HD2 TYR 13 6.357 1.870 12.118 110 HE1 TYR 13 HE1 TYR 13 8.697 -2.421 13.023 111 HE2 TYR 13 HE2 TYR 13 5.181 -0.357 11.772 112 HH TYR 13 HH TYR 13 6.827 -3.260 11.633 113 H ALA 14 HN ALA 14 9.653 5.131 13.146 114 HA ALA 14 HA ALA 14 11.918 5.052 14.764 115 1HB ALA 14 1HB ALA 14 10.859 7.594 13.527 116 2HB ALA 14 2HB ALA 14 12.533 6.999 13.624 117 3HB ALA 14 3HB ALA 14 11.386 6.248 12.488 118 H ALA 15 HN ALA 15 8.657 6.139 15.376 119 HA ALA 15 HA ALA 15 9.454 7.925 17.504 120 1HB ALA 15 1HB ALA 15 7.419 8.094 15.853 121 2HB ALA 15 2HB ALA 15 6.644 6.954 16.979 122 3HB ALA 15 3HB ALA 15 7.200 8.541 17.562 123 H LYS 16 HN LYS 16 8.700 4.539 16.992 124 HA LYS 16 HA LYS 16 7.664 3.850 19.454 125 1HB LYS 16 2HB LYS 16 8.458 2.544 17.130 126 2HB LYS 16 3HB LYS 16 9.522 1.876 18.351 127 1HG LYS 16 2HG LYS 16 7.397 1.573 19.815 128 2HG LYS 16 3HG LYS 16 6.476 1.915 18.364 129 1HD LYS 16 2HD LYS 16 7.102 -0.075 17.317 130 2HD LYS 16 3HD LYS 16 8.648 -0.152 18.137 131 1HE LYS 16 2HE LYS 16 6.919 -0.393 20.278 132 2HE LYS 16 3HE LYS 16 5.985 -1.170 19.015 133 1HZ LYS 16 1HZ LYS 16 7.410 -2.856 18.934 134 2HZ LYS 16 2HZ LYS 16 8.743 -1.920 19.055 135 3HZ LYS 16 3HZ LYS 16 7.923 -2.350 20.400 136 H GLU 17 HN GLU 17 11.145 3.542 18.437 137 HA GLU 17 HA GLU 17 11.783 4.053 21.239 138 1HB GLU 17 2HB GLU 17 13.056 2.157 19.237 139 2HB GLU 17 3HB GLU 17 13.927 2.691 20.660 140 1HG GLU 17 2HG GLU 17 11.396 1.942 21.657 141 2HG GLU 17 3HG GLU 17 11.745 0.730 20.440 142 H GLY 18 HN GLY 18 13.151 5.761 21.661 143 1HA GLY 18 1HA GLY 18 14.565 7.476 21.309 144 2HA GLY 18 2HA GLY 18 15.162 6.645 19.886 145 H ASP 19 HN ASP 19 15.158 9.225 19.447 146 HA ASP 19 HA ASP 19 12.789 10.475 18.870 147 1HB ASP 19 2HB ASP 19 15.365 11.239 18.858 148 2HB ASP 19 3HB ASP 19 15.219 10.941 17.137 149 HA PRO 20 HA PRO 20 11.672 8.434 15.140 150 1HB PRO 20 2HB PRO 20 9.735 10.136 14.234 151 2HB PRO 20 3HB PRO 20 9.442 8.913 15.455 152 1HG PRO 20 2HG PRO 20 9.729 11.836 15.791 153 2HG PRO 20 3HG PRO 20 9.028 10.668 16.894 154 1HD PRO 20 2HD PRO 20 11.614 11.890 17.105 155 2HD PRO 20 3HD PRO 20 10.959 10.638 18.140 156 H ASN 21 HN ASN 21 13.422 11.192 15.303 157 HA ASN 21 HA ASN 21 13.370 11.650 12.470 158 1HB ASN 21 2HB ASN 21 14.766 12.941 14.846 159 2HB ASN 21 3HB ASN 21 15.302 13.313 13.219 160 1HD2 ASN 21 1HD2 ASN 21 13.160 14.052 15.675 161 2HD2 ASN 21 2HD2 ASN 21 12.036 15.055 14.821 162 H GLN 22 HN GLN 22 14.723 9.371 14.490 163 HA GLN 22 HA GLN 22 16.861 8.895 12.629 164 1HB GLN 22 2HB GLN 22 18.416 8.421 14.675 165 2HB GLN 22 3HB GLN 22 18.207 10.078 14.146 166 1HG GLN 22 2HG GLN 22 16.074 9.545 15.981 167 2HG GLN 22 3HG GLN 22 17.525 8.887 16.709 168 1HE2 GLN 22 1HE2 GLN 22 16.455 11.740 14.863 169 2HE2 GLN 22 2HE2 GLN 22 17.310 12.932 15.784 170 H LEU 23 HN LEU 23 17.028 6.714 12.190 171 HA LEU 23 HA LEU 23 15.308 4.974 13.756 172 1HB LEU 23 2HB LEU 23 16.647 4.776 11.071 173 2HB LEU 23 3HB LEU 23 15.967 3.365 11.857 174 HG LEU 23 HG LEU 23 14.587 4.785 10.115 175 1HD1 LEU 23 1HD1 LEU 23 13.145 3.204 10.692 176 2HD1 LEU 23 2HD1 LEU 23 13.925 3.020 12.281 177 3HD1 LEU 23 3HD1 LEU 23 12.622 4.212 12.062 178 1HD2 LEU 23 1HD2 LEU 23 13.024 6.340 11.365 179 2HD2 LEU 23 2HD2 LEU 23 14.208 6.313 12.694 180 3HD2 LEU 23 3HD2 LEU 23 14.680 6.935 11.095 181 H SER 24 HN SER 24 16.093 2.840 14.487 182 HA SER 24 HA SER 24 18.963 2.907 14.990 183 1HB SER 24 2HB SER 24 16.889 1.908 16.985 184 2HB SER 24 3HB SER 24 18.608 2.108 17.261 185 HG SER 24 HG SER 24 17.002 4.362 16.477 186 H LYS 25 HN LYS 25 19.856 0.662 15.525 187 HA LYS 25 HA LYS 25 19.177 -1.145 13.565 188 1HB LYS 25 2HB LYS 25 21.331 -1.044 14.789 189 2HB LYS 25 3HB LYS 25 20.547 -1.693 16.215 190 1HG LYS 25 2HG LYS 25 19.749 -3.563 14.396 191 2HG LYS 25 3HG LYS 25 21.251 -3.065 13.642 192 1HD LYS 25 2HD LYS 25 21.573 -3.435 16.544 193 2HD LYS 25 3HD LYS 25 20.966 -4.888 15.776 194 1HE LYS 25 2HE LYS 25 22.948 -5.296 14.710 195 2HE LYS 25 3HE LYS 25 23.128 -3.626 14.211 196 1HZ LYS 25 1HZ LYS 25 23.677 -4.611 16.925 197 2HZ LYS 25 2HZ LYS 25 24.815 -4.328 15.788 198 3HZ LYS 25 3HZ LYS 25 23.931 -3.091 16.384 199 H GLU 26 HN GLU 26 18.385 -1.335 17.111 200 HA GLU 26 HA GLU 26 16.802 -3.567 16.873 201 1HB GLU 26 2HB GLU 26 17.517 -1.665 18.904 202 2HB GLU 26 3HB GLU 26 15.776 -1.858 18.964 203 1HG GLU 26 2HG GLU 26 16.652 -4.489 18.644 204 2HG GLU 26 3HG GLU 26 17.910 -3.798 19.649 205 H GLU 27 HN GLU 27 16.050 -0.082 16.454 206 HA GLU 27 HA GLU 27 13.292 -0.371 16.409 207 1HB GLU 27 2HB GLU 27 15.274 1.705 15.828 208 2HB GLU 27 3HB GLU 27 13.932 1.792 14.705 209 1HG GLU 27 2HG GLU 27 12.819 1.311 17.313 210 2HG GLU 27 3HG GLU 27 14.008 2.587 17.489 211 H LEU 28 HN LEU 28 15.648 -0.032 13.651 212 HA LEU 28 HA LEU 28 13.793 -0.466 11.642 213 1HB LEU 28 2HB LEU 28 16.251 0.363 11.616 214 2HB LEU 28 3HB LEU 28 16.660 -1.333 11.450 215 HG LEU 28 HG LEU 28 15.994 -1.437 9.295 216 1HD1 LEU 28 1HD1 LEU 28 13.627 -1.193 9.777 217 2HD1 LEU 28 2HD1 LEU 28 13.805 0.575 9.885 218 3HD1 LEU 28 3HD1 LEU 28 14.063 -0.252 8.330 219 1HD2 LEU 28 1HD2 LEU 28 17.075 0.227 8.288 220 2HD2 LEU 28 2HD2 LEU 28 15.878 1.433 8.820 221 3HD2 LEU 28 3HD2 LEU 28 17.224 0.981 9.894 222 H LYS 29 HN LYS 29 15.623 -2.741 13.713 223 HA LYS 29 HA LYS 29 15.286 -5.064 12.329 224 1HB LYS 29 2HB LYS 29 16.603 -4.843 14.378 225 2HB LYS 29 3HB LYS 29 15.147 -4.609 15.324 226 1HG LYS 29 2HG LYS 29 14.396 -6.854 14.948 227 2HG LYS 29 3HG LYS 29 15.490 -7.089 13.599 228 1HD LYS 29 2HD LYS 29 17.158 -7.795 14.971 229 2HD LYS 29 3HD LYS 29 17.008 -6.375 15.987 230 1HE LYS 29 2HE LYS 29 16.368 -7.961 17.545 231 2HE LYS 29 3HE LYS 29 14.793 -7.660 16.838 232 1HZ LYS 29 1HZ LYS 29 15.763 -10.046 17.004 233 2HZ LYS 29 2HZ LYS 29 14.845 -9.611 15.724 234 3HZ LYS 29 3HZ LYS 29 16.472 -9.662 15.584 235 H LEU 30 HN LEU 30 12.969 -3.594 14.710 236 HA LEU 30 HA LEU 30 11.003 -5.507 14.465 237 1HB LEU 30 2HB LEU 30 10.670 -2.543 14.947 238 2HB LEU 30 3HB LEU 30 9.492 -3.787 15.312 239 HG LEU 30 HG LEU 30 12.100 -3.189 16.684 240 1HD1 LEU 30 1HD1 LEU 30 10.845 -2.625 18.466 241 2HD1 LEU 30 2HD1 LEU 30 9.567 -2.418 17.244 242 3HD1 LEU 30 3HD1 LEU 30 9.662 -3.925 18.187 243 1HD2 LEU 30 1HD2 LEU 30 12.492 -5.434 16.587 244 2HD2 LEU 30 2HD2 LEU 30 11.438 -5.381 18.020 245 3HD2 LEU 30 3HD2 LEU 30 10.767 -5.848 16.439 246 H LEU 31 HN LEU 31 11.288 -2.360 12.665 247 HA LEU 31 HA LEU 31 9.122 -2.705 11.026 248 1HB LEU 31 2HB LEU 31 10.783 -0.739 11.375 249 2HB LEU 31 3HB LEU 31 11.674 -1.463 10.051 250 HG LEU 31 HG LEU 31 8.930 -1.276 9.261 251 1HD1 LEU 31 1HD1 LEU 31 8.203 0.496 10.417 252 2HD1 LEU 31 2HD1 LEU 31 9.842 0.957 10.936 253 3HD1 LEU 31 3HD1 LEU 31 9.247 1.446 9.332 254 1HD2 LEU 31 1HD2 LEU 31 11.565 -0.152 8.376 255 2HD2 LEU 31 2HD2 LEU 31 10.466 -1.281 7.548 256 3HD2 LEU 31 3HD2 LEU 31 10.057 0.449 7.645 257 H LEU 32 HN LEU 32 12.568 -3.475 10.143 258 HA LEU 32 HA LEU 32 12.025 -4.748 7.789 259 1HB LEU 32 2HB LEU 32 14.184 -5.458 9.779 260 2HB LEU 32 3HB LEU 32 14.181 -5.837 8.068 261 HG LEU 32 HG LEU 32 14.146 -3.007 9.143 262 1HD1 LEU 32 1HD1 LEU 32 16.187 -3.771 9.944 263 2HD1 LEU 32 2HD1 LEU 32 16.452 -4.845 8.550 264 3HD1 LEU 32 3HD1 LEU 32 16.612 -3.082 8.359 265 1HD2 LEU 32 1HD2 LEU 32 13.640 -4.012 6.585 266 2HD2 LEU 32 2HD2 LEU 32 13.993 -2.326 7.034 267 3HD2 LEU 32 3HD2 LEU 32 15.312 -3.404 6.519 268 H GLN 33 HN GLN 33 11.271 -5.752 11.049 269 HA GLN 33 HA GLN 33 11.206 -8.508 10.530 270 1HB GLN 33 2HB GLN 33 11.030 -6.917 12.779 271 2HB GLN 33 3HB GLN 33 9.370 -7.454 12.617 272 1HG GLN 33 2HG GLN 33 10.575 -9.839 12.207 273 2HG GLN 33 3HG GLN 33 11.853 -9.078 13.135 274 1HE2 GLN 33 1HE2 GLN 33 11.001 -7.794 15.094 275 2HE2 GLN 33 2HE2 GLN 33 9.865 -8.613 16.113 276 H THR 34 HN THR 34 8.566 -6.021 10.852 277 HA THR 34 HA THR 34 6.704 -7.890 9.624 278 HB THR 34 HB THR 34 6.628 -5.466 11.352 279 HG1 THR 34 HG1 THR 34 4.728 -7.598 10.694 280 1HG2 THR 34 1HG2 THR 34 5.418 -4.424 9.517 281 2HG2 THR 34 2HG2 THR 34 4.591 -5.951 9.123 282 3HG2 THR 34 3HG2 THR 34 4.187 -5.081 10.623 283 H GLU 35 HN GLU 35 8.057 -4.589 9.006 284 HA GLU 35 HA GLU 35 6.753 -4.046 6.721 285 1HB GLU 35 2HB GLU 35 8.247 -2.434 7.737 286 2HB GLU 35 3HB GLU 35 9.640 -3.471 7.497 287 1HG GLU 35 2HG GLU 35 9.992 -2.429 5.514 288 2HG GLU 35 3HG GLU 35 8.534 -3.192 4.911 289 H PHE 36 HN PHE 36 9.984 -5.719 6.917 290 HA PHE 36 HA PHE 36 9.200 -7.378 4.688 291 1HB PHE 36 2HB PHE 36 11.506 -5.349 4.727 292 2HB PHE 36 3HB PHE 36 11.484 -6.687 3.596 293 HD1 PHE 36 HD1 PHE 36 9.045 -6.880 2.358 294 HD2 PHE 36 HD2 PHE 36 10.820 -3.334 3.869 295 HE1 PHE 36 HE1 PHE 36 7.668 -5.512 0.767 296 HE2 PHE 36 HE2 PHE 36 9.443 -1.966 2.277 297 HZ PHE 36 HZ PHE 36 7.883 -3.072 0.745 298 HA PRO 37 HA PRO 37 11.715 -9.590 7.652 299 1HB PRO 37 2HB PRO 37 10.286 -11.919 7.602 300 2HB PRO 37 3HB PRO 37 9.968 -10.624 8.739 301 1HG PRO 37 2HG PRO 37 8.433 -11.398 6.335 302 2HG PRO 37 3HG PRO 37 7.923 -10.415 7.693 303 1HD PRO 37 2HD PRO 37 8.677 -9.482 5.088 304 2HD PRO 37 3HD PRO 37 8.280 -8.495 6.480 305 H SER 38 HN SER 38 10.715 -10.320 4.448 306 HA SER 38 HA SER 38 12.294 -12.542 4.049 307 1HB SER 38 2HB SER 38 12.086 -10.697 1.737 308 2HB SER 38 3HB SER 38 11.586 -12.370 1.879 309 HG SER 38 HG SER 38 9.724 -11.587 3.162 310 H LEU 39 HN LEU 39 13.048 -9.068 4.166 311 HA LEU 39 HA LEU 39 15.562 -9.261 2.883 312 1HB LEU 39 2HB LEU 39 13.859 -7.250 3.895 313 2HB LEU 39 3HB LEU 39 15.384 -7.072 4.739 314 HG LEU 39 HG LEU 39 14.911 -6.983 1.752 315 1HD1 LEU 39 1HD1 LEU 39 14.647 -4.991 3.575 316 2HD1 LEU 39 2HD1 LEU 39 16.366 -4.820 3.144 317 3HD1 LEU 39 3HD1 LEU 39 15.119 -4.746 1.876 318 1HD2 LEU 39 1HD2 LEU 39 16.928 -8.103 1.781 319 2HD2 LEU 39 2HD2 LEU 39 17.455 -6.403 1.774 320 3HD2 LEU 39 3HD2 LEU 39 17.463 -7.331 3.293 321 H LEU 40 HN LEU 40 14.348 -10.120 6.041 322 HA LEU 40 HA LEU 40 16.854 -9.868 7.380 323 1HB LEU 40 2HB LEU 40 14.340 -11.368 8.128 324 2HB LEU 40 3HB LEU 40 15.706 -11.076 9.185 325 HG LEU 40 HG LEU 40 13.961 -8.918 7.965 326 1HD1 LEU 40 1HD1 LEU 40 13.344 -8.662 10.489 327 2HD1 LEU 40 2HD1 LEU 40 12.539 -9.899 9.493 328 3HD1 LEU 40 3HD1 LEU 40 13.860 -10.362 10.594 329 1HD2 LEU 40 1HD2 LEU 40 16.138 -8.719 10.065 330 2HD2 LEU 40 2HD2 LEU 40 16.255 -8.166 8.377 331 3HD2 LEU 40 3HD2 LEU 40 15.102 -7.391 9.489 332 H LYS 41 HN LYS 41 15.256 -12.255 5.333 333 HA LYS 41 HA LYS 41 16.812 -14.460 6.211 334 1HB LYS 41 2HB LYS 41 14.970 -13.908 3.898 335 2HB LYS 41 3HB LYS 41 15.962 -15.352 3.900 336 1HG LYS 41 2HG LYS 41 13.613 -15.573 4.941 337 2HG LYS 41 3HG LYS 41 14.946 -16.202 5.888 338 1HD LYS 41 2HD LYS 41 14.965 -14.267 7.338 339 2HD LYS 41 3HD LYS 41 13.922 -13.357 6.262 340 1HE LYS 41 2HE LYS 41 13.013 -15.950 7.585 341 2HE LYS 41 3HE LYS 41 12.815 -14.391 8.361 342 1HZ LYS 41 1HZ LYS 41 11.631 -13.684 6.328 343 2HZ LYS 41 2HZ LYS 41 11.683 -15.223 5.784 344 3HZ LYS 41 3HZ LYS 41 10.869 -14.869 7.154 345 H GLY 42 HN GLY 42 17.151 -11.891 3.745 346 1HA GLY 42 1HA GLY 42 19.070 -12.815 2.088 347 2HA GLY 42 2HA GLY 42 19.017 -11.171 2.690 348 H MET 43 HN MET 43 21.490 -12.222 2.074 349 HA MET 43 HA MET 43 22.648 -13.478 4.327 350 1HB MET 43 2HB MET 43 23.885 -12.036 1.915 351 2HB MET 43 3HB MET 43 24.789 -13.040 3.031 352 1HG MET 43 2HG MET 43 24.246 -14.861 1.789 353 2HG MET 43 3HG MET 43 22.562 -14.624 2.212 354 1HE MET 43 1HE MET 43 21.788 -14.974 -1.454 355 2HE MET 43 2HE MET 43 22.464 -15.972 -0.145 356 3HE MET 43 3HE MET 43 21.050 -14.936 0.165 357 H SER 44 HN SER 44 21.530 -10.354 3.884 358 HA SER 44 HA SER 44 23.745 -9.097 5.233 359 1HB SER 44 2HB SER 44 21.137 -8.058 4.058 360 2HB SER 44 3HB SER 44 22.201 -7.033 5.001 361 HG SER 44 HG SER 44 22.501 -7.032 2.587 362 H THR 45 HN THR 45 23.771 -9.750 7.396 363 HA THR 45 HA THR 45 21.400 -10.200 8.880 364 HB THR 45 HB THR 45 23.040 -10.436 10.749 365 HG1 THR 45 HG1 THR 45 25.202 -9.704 10.293 366 1HG2 THR 45 1HG2 THR 45 23.287 -12.453 9.602 367 2HG2 THR 45 2HG2 THR 45 23.608 -11.643 8.050 368 3HG2 THR 45 3HG2 THR 45 24.896 -11.767 9.272 369 H LEU 46 HN LEU 46 21.065 -9.022 11.072 370 HA LEU 46 HA LEU 46 20.128 -6.506 10.522 371 1HB LEU 46 2HB LEU 46 19.866 -8.231 12.540 372 2HB LEU 46 3HB LEU 46 21.006 -7.134 13.294 373 HG LEU 46 HG LEU 46 19.055 -6.192 13.992 374 1HD1 LEU 46 1HD1 LEU 46 20.317 -4.524 12.636 375 2HD1 LEU 46 2HD1 LEU 46 19.232 -4.877 11.269 376 3HD1 LEU 46 3HD1 LEU 46 18.576 -4.183 12.771 377 1HD2 LEU 46 1HD2 LEU 46 16.953 -6.119 12.647 378 2HD2 LEU 46 2HD2 LEU 46 17.780 -7.069 11.390 379 3HD2 LEU 46 3HD2 LEU 46 17.534 -7.761 13.011 380 H ASP 47 HN ASP 47 23.074 -7.252 12.524 381 HA ASP 47 HA ASP 47 23.991 -4.769 12.812 382 1HB ASP 47 2HB ASP 47 25.095 -7.448 12.857 383 2HB ASP 47 3HB ASP 47 26.272 -6.384 12.113 384 H GLU 48 HN GLU 48 24.690 -7.032 10.044 385 HA GLU 48 HA GLU 48 26.328 -5.373 8.625 386 1HB GLU 48 2HB GLU 48 24.845 -7.832 8.175 387 2HB GLU 48 3HB GLU 48 24.768 -6.835 6.735 388 1HG GLU 48 2HG GLU 48 27.400 -6.520 7.265 389 2HG GLU 48 3HG GLU 48 27.173 -8.056 8.077 390 H LEU 49 HN LEU 49 22.722 -5.666 8.541 391 HA LEU 49 HA LEU 49 22.328 -3.846 6.462 392 1HB LEU 49 2HB LEU 49 20.786 -5.549 7.915 393 2HB LEU 49 3HB LEU 49 20.273 -4.008 8.573 394 HG LEU 49 HG LEU 49 20.247 -3.579 5.820 395 1HD1 LEU 49 1HD1 LEU 49 20.291 -5.642 4.913 396 2HD1 LEU 49 2HD1 LEU 49 19.759 -6.438 6.414 397 3HD1 LEU 49 3HD1 LEU 49 18.567 -5.642 5.358 398 1HD2 LEU 49 1HD2 LEU 49 18.545 -3.308 7.974 399 2HD2 LEU 49 2HD2 LEU 49 18.192 -2.850 6.291 400 3HD2 LEU 49 3HD2 LEU 49 17.672 -4.436 6.909 401 H PHE 50 HN PHE 50 22.496 -3.426 10.048 402 HA PHE 50 HA PHE 50 21.831 -0.755 10.127 403 1HB PHE 50 2HB PHE 50 22.229 -2.483 12.011 404 2HB PHE 50 3HB PHE 50 23.951 -2.282 11.752 405 HD1 PHE 50 HD1 PHE 50 21.005 -0.021 12.224 406 HD2 PHE 50 HD2 PHE 50 25.000 -0.959 13.306 407 HE1 PHE 50 HE1 PHE 50 21.022 1.906 13.832 408 HE2 PHE 50 HE2 PHE 50 25.017 0.968 14.914 409 HZ PHE 50 HZ PHE 50 23.028 2.378 15.157 410 H GLU 51 HN GLU 51 25.116 -2.282 9.848 411 HA GLU 51 HA GLU 51 26.449 0.156 9.742 412 1HB GLU 51 2HB GLU 51 27.117 -2.601 9.740 413 2HB GLU 51 3HB GLU 51 27.833 -1.956 8.277 414 1HG GLU 51 2HG GLU 51 28.428 0.025 10.152 415 2HG GLU 51 3HG GLU 51 28.545 -1.439 11.107 416 H GLU 52 HN GLU 52 25.064 -1.999 7.214 417 HA GLU 52 HA GLU 52 26.191 -0.693 5.050 418 1HB GLU 52 2HB GLU 52 25.165 -2.913 4.869 419 2HB GLU 52 3HB GLU 52 23.592 -2.268 5.297 420 1HG GLU 52 2HG GLU 52 23.249 -1.319 3.208 421 2HG GLU 52 3HG GLU 52 24.946 -0.954 2.970 422 H LEU 53 HN LEU 53 22.907 -0.334 6.570 423 HA LEU 53 HA LEU 53 21.969 1.658 4.926 424 1HB LEU 53 2HB LEU 53 21.435 1.288 7.877 425 2HB LEU 53 3HB LEU 53 20.442 2.193 6.751 426 HG LEU 53 HG LEU 53 20.960 -0.666 6.085 427 1HD1 LEU 53 1HD1 LEU 53 20.574 -0.776 8.501 428 2HD1 LEU 53 2HD1 LEU 53 19.066 0.150 8.307 429 3HD1 LEU 53 3HD1 LEU 53 19.213 -1.472 7.589 430 1HD2 LEU 53 1HD2 LEU 53 19.585 0.956 4.708 431 2HD2 LEU 53 2HD2 LEU 53 18.797 -0.583 5.132 432 3HD2 LEU 53 3HD2 LEU 53 18.378 0.904 6.016 433 H ASP 54 HN ASP 54 23.640 2.055 8.133 434 HA ASP 54 HA ASP 54 23.808 4.825 7.834 435 1HB ASP 54 2HB ASP 54 23.943 3.756 10.033 436 2HB ASP 54 3HB ASP 54 25.354 2.835 9.554 437 H LYS 55 HN LYS 55 25.968 6.050 7.670 438 HA LYS 55 HA LYS 55 28.234 4.691 6.641 439 1HB LYS 55 2HB LYS 55 26.698 4.626 4.658 440 2HB LYS 55 3HB LYS 55 26.696 6.378 4.647 441 1HG LYS 55 2HG LYS 55 29.417 5.194 4.784 442 2HG LYS 55 3HG LYS 55 28.540 4.770 3.327 443 1HD LYS 55 2HD LYS 55 28.107 7.164 2.850 444 2HD LYS 55 3HD LYS 55 28.884 7.628 4.351 445 1HE LYS 55 2HE LYS 55 30.855 7.725 3.231 446 2HE LYS 55 3HE LYS 55 30.789 5.983 3.055 447 1HZ LYS 55 1HZ LYS 55 30.954 6.973 0.927 448 2HZ LYS 55 2HZ LYS 55 29.448 6.351 1.048 449 3HZ LYS 55 3HZ LYS 55 29.680 7.961 1.189 450 H ASN 56 HN ASN 56 26.358 7.754 6.951 451 HA ASN 56 HA ASN 56 28.439 9.495 6.797 452 1HB ASN 56 2HB ASN 56 26.945 10.846 8.536 453 2HB ASN 56 3HB ASN 56 26.322 10.524 6.930 454 1HD2 ASN 56 1HD2 ASN 56 24.201 10.489 7.417 455 2HD2 ASN 56 2HD2 ASN 56 23.426 9.300 8.408 456 H GLY 57 HN GLY 57 27.384 7.313 9.417 457 1HA GLY 57 1HA GLY 57 28.726 6.548 11.131 458 2HA GLY 57 2HA GLY 57 29.830 7.889 10.897 459 H ASP 58 HN ASP 58 26.309 7.420 11.710 460 HA ASP 58 HA ASP 58 26.760 9.317 13.876 461 1HB ASP 58 2HB ASP 58 24.161 9.753 13.448 462 2HB ASP 58 3HB ASP 58 25.382 10.621 12.540 463 H GLY 59 HN GLY 59 24.545 6.781 12.481 464 1HA GLY 59 1HA GLY 59 24.283 4.740 13.787 465 2HA GLY 59 2HA GLY 59 24.150 5.737 15.222 466 H GLU 60 HN GLU 60 22.691 7.343 12.577 467 HA GLU 60 HA GLU 60 20.100 6.283 13.401 468 1HB GLU 60 2HB GLU 60 19.185 8.551 12.838 469 2HB GLU 60 3HB GLU 60 20.336 8.580 14.159 470 1HG GLU 60 2HG GLU 60 22.148 9.212 12.499 471 2HG GLU 60 3HG GLU 60 20.925 9.297 11.248 472 H VAL 61 HN VAL 61 18.931 5.271 11.823 473 HA VAL 61 HA VAL 61 19.905 5.542 9.089 474 HB VAL 61 HB VAL 61 18.166 3.551 10.538 475 1HG1 VAL 61 1HG1 VAL 61 18.106 4.242 7.722 476 2HG1 VAL 61 2HG1 VAL 61 18.655 2.565 7.954 477 3HG1 VAL 61 3HG1 VAL 61 17.096 3.093 8.633 478 1HG2 VAL 61 1HG2 VAL 61 20.772 3.570 10.590 479 2HG2 VAL 61 2HG2 VAL 61 19.918 2.041 10.272 480 3HG2 VAL 61 3HG2 VAL 61 20.640 2.954 8.925 481 H SER 62 HN SER 62 18.924 7.881 9.395 482 HA SER 62 HA SER 62 16.283 8.350 9.591 483 1HB SER 62 2HB SER 62 17.186 10.087 7.534 484 2HB SER 62 3HB SER 62 17.110 10.422 9.252 485 HG SER 62 HG SER 62 19.337 9.220 7.838 486 H PHE 63 HN PHE 63 14.939 9.306 7.516 487 HA PHE 63 HA PHE 63 14.163 7.074 6.063 488 1HB PHE 63 2HB PHE 63 12.961 9.322 6.613 489 2HB PHE 63 3HB PHE 63 13.904 10.048 5.326 490 HD1 PHE 63 HD1 PHE 63 12.856 10.266 3.293 491 HD2 PHE 63 HD2 PHE 63 11.730 7.042 5.813 492 HE1 PHE 63 HE1 PHE 63 11.115 9.570 1.624 493 HE2 PHE 63 HE2 PHE 63 9.989 6.346 4.144 494 HZ PHE 63 HZ PHE 63 9.702 7.618 2.070 495 H GLU 64 HN GLU 64 16.850 9.238 5.609 496 HA GLU 64 HA GLU 64 16.988 9.119 2.825 497 1HB GLU 64 2HB GLU 64 19.486 9.352 4.491 498 2HB GLU 64 3HB GLU 64 19.022 10.248 3.058 499 1HG GLU 64 2HG GLU 64 18.128 10.657 5.920 500 2HG GLU 64 3HG GLU 64 18.747 11.839 4.785 501 H GLU 65 HN GLU 65 18.856 7.322 5.384 502 HA GLU 65 HA GLU 65 20.159 5.667 3.613 503 1HB GLU 65 2HB GLU 65 19.367 5.211 6.522 504 2HB GLU 65 3HB GLU 65 20.481 4.181 5.645 505 1HG GLU 65 2HG GLU 65 22.053 6.011 5.321 506 2HG GLU 65 3HG GLU 65 20.894 7.192 5.899 507 H PHE 66 HN PHE 66 16.861 5.599 4.884 508 HA PHE 66 HA PHE 66 16.289 2.907 4.522 509 1HB PHE 66 2HB PHE 66 14.977 4.923 5.601 510 2HB PHE 66 3HB PHE 66 14.453 5.306 3.973 511 HD1 PHE 66 HD1 PHE 66 12.290 4.663 3.562 512 HD2 PHE 66 HD2 PHE 66 14.709 2.166 5.995 513 HE1 PHE 66 HE1 PHE 66 10.386 3.044 3.794 514 HE2 PHE 66 HE2 PHE 66 12.805 0.546 6.226 515 HZ PHE 66 HZ PHE 66 10.666 1.005 5.123 516 H GLN 67 HN GLN 67 16.247 5.689 2.236 517 HA GLN 67 HA GLN 67 14.930 4.389 0.188 518 1HB GLN 67 2HB GLN 67 17.097 6.503 -0.145 519 2HB GLN 67 3HB GLN 67 15.769 6.172 -1.239 520 1HG GLN 67 2HG GLN 67 14.232 6.696 0.839 521 2HG GLN 67 3HG GLN 67 15.665 7.446 1.514 522 1HE2 GLN 67 1HE2 GLN 67 13.829 7.294 -1.534 523 2HE2 GLN 67 2HE2 GLN 67 13.936 8.974 -1.940 524 H VAL 68 HN VAL 68 18.023 3.788 1.563 525 HA VAL 68 HA VAL 68 19.296 2.886 -0.835 526 HB VAL 68 HB VAL 68 20.005 2.352 2.054 527 1HG1 VAL 68 1HG1 VAL 68 21.744 2.428 -0.435 528 2HG1 VAL 68 2HG1 VAL 68 22.274 2.056 1.223 529 3HG1 VAL 68 3HG1 VAL 68 21.168 0.950 0.373 530 1HG2 VAL 68 1HG2 VAL 68 19.664 4.830 1.275 531 2HG2 VAL 68 2HG2 VAL 68 21.115 4.382 2.203 532 3HG2 VAL 68 3HG2 VAL 68 21.214 4.581 0.436 533 H LEU 69 HN LEU 69 17.411 1.464 1.868 534 HA LEU 69 HA LEU 69 17.894 -1.210 0.973 535 1HB LEU 69 2HB LEU 69 17.299 -0.179 3.347 536 2HB LEU 69 3HB LEU 69 15.660 -0.496 2.812 537 HG LEU 69 HG LEU 69 16.307 -2.885 2.411 538 1HD1 LEU 69 1HD1 LEU 69 18.376 -3.709 3.523 539 2HD1 LEU 69 2HD1 LEU 69 18.680 -2.681 2.102 540 3HD1 LEU 69 3HD1 LEU 69 18.886 -2.018 3.741 541 1HD2 LEU 69 1HD2 LEU 69 16.161 -3.542 4.721 542 2HD2 LEU 69 2HD2 LEU 69 16.739 -1.947 5.258 543 3HD2 LEU 69 3HD2 LEU 69 15.153 -2.097 4.466 544 H VAL 70 HN VAL 70 15.499 1.358 0.426 545 HA VAL 70 HA VAL 70 13.377 -0.089 -0.505 546 HB VAL 70 HB VAL 70 14.540 2.599 -1.065 547 1HG1 VAL 70 1HG1 VAL 70 12.751 3.155 -2.638 548 2HG1 VAL 70 2HG1 VAL 70 13.763 1.839 -3.279 549 3HG1 VAL 70 3HG1 VAL 70 12.163 1.476 -2.588 550 1HG2 VAL 70 1HG2 VAL 70 11.700 1.983 -0.283 551 2HG2 VAL 70 2HG2 VAL 70 13.008 1.844 0.916 552 3HG2 VAL 70 3HG2 VAL 70 12.703 3.400 0.107 553 H LYS 71 HN LYS 71 16.591 0.288 -1.880 554 HA LYS 71 HA LYS 71 15.867 -0.368 -4.540 555 1HB LYS 71 2HB LYS 71 18.095 0.649 -3.298 556 2HB LYS 71 3HB LYS 71 18.612 -0.986 -3.657 557 1HG LYS 71 2HG LYS 71 17.417 -0.382 -6.033 558 2HG LYS 71 3HG LYS 71 17.881 1.234 -5.539 559 1HD LYS 71 2HD LYS 71 19.953 0.774 -6.348 560 2HD LYS 71 3HD LYS 71 20.171 -0.282 -4.967 561 1HE LYS 71 2HE LYS 71 19.787 -2.218 -6.198 562 2HE LYS 71 3HE LYS 71 18.652 -1.439 -7.282 563 1HZ LYS 71 1HZ LYS 71 21.365 -0.492 -7.429 564 2HZ LYS 71 2HZ LYS 71 21.123 -2.019 -7.955 565 3HZ LYS 71 3HZ LYS 71 20.296 -0.783 -8.629 566 H LYS 72 HN LYS 72 16.980 -2.223 -1.658 567 HA LYS 72 HA LYS 72 17.128 -4.676 -3.066 568 1HB LYS 72 2HB LYS 72 17.018 -4.007 -0.113 569 2HB LYS 72 3HB LYS 72 17.243 -5.629 -0.737 570 1HG LYS 72 2HG LYS 72 19.045 -3.282 -1.488 571 2HG LYS 72 3HG LYS 72 19.396 -4.377 -0.165 572 1HD LYS 72 2HD LYS 72 18.945 -6.211 -2.133 573 2HD LYS 72 3HD LYS 72 19.493 -4.873 -3.124 574 1HE LYS 72 2HE LYS 72 21.013 -5.979 -0.712 575 2HE LYS 72 3HE LYS 72 21.369 -6.380 -2.380 576 1HZ LYS 72 1HZ LYS 72 22.624 -4.482 -1.272 577 2HZ LYS 72 2HZ LYS 72 22.089 -4.257 -2.798 578 3HZ LYS 72 3HZ LYS 72 21.286 -3.586 -1.545 579 H ILE 73 HN ILE 73 14.580 -2.872 -1.347 580 HA ILE 73 HA ILE 73 12.790 -5.092 -1.282 581 HB ILE 73 HB ILE 73 12.409 -2.131 -0.843 582 1HG1 ILE 73 2HG1 ILE 73 12.276 -4.203 1.314 583 2HG1 ILE 73 3HG1 ILE 73 13.852 -3.730 0.713 584 1HG2 ILE 73 1HG2 ILE 73 10.310 -3.133 -1.579 585 2HG2 ILE 73 2HG2 ILE 73 10.466 -4.402 -0.341 586 3HG2 ILE 73 3HG2 ILE 73 10.244 -2.705 0.147 587 1HD1 ILE 73 1HD1 ILE 73 11.956 -2.217 2.389 588 2HD1 ILE 73 2HD1 ILE 73 13.707 -1.985 2.166 589 3HD1 ILE 73 3HD1 ILE 73 12.560 -1.273 1.006 590 H SER 74 HN SER 74 14.002 -3.112 -3.764 591 HA SER 74 HA SER 74 11.535 -3.114 -5.242 592 1HB SER 74 2HB SER 74 14.098 -1.695 -5.354 593 2HB SER 74 3HB SER 74 13.635 -2.283 -6.939 594 HG SER 74 HG SER 74 12.501 -0.253 -5.385 595 H GLN 75 HN GLN 75 14.826 -4.604 -5.306 596 HA GLN 75 HA GLN 75 14.353 -6.010 -7.688 597 1HB GLN 75 2HB GLN 75 16.554 -5.473 -6.063 598 2HB GLN 75 3HB GLN 75 16.331 -7.197 -5.840 599 1HG GLN 75 2HG GLN 75 16.747 -7.694 -8.089 600 2HG GLN 75 3HG GLN 75 16.173 -6.138 -8.655 601 1HE2 GLN 75 1HE2 GLN 75 17.490 -4.250 -7.532 602 2HE2 GLN 75 2HE2 GLN 75 19.209 -4.367 -7.702 Start of MODEL 18 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.904 0.695 -1.127 3 1HB LYS 1 2HB LYS 1 1.887 -2.136 -1.488 4 2HB LYS 1 3HB LYS 1 3.112 -1.408 -2.507 5 1HG LYS 1 2HG LYS 1 4.705 -1.321 -0.785 6 2HG LYS 1 3HG LYS 1 3.495 -1.249 0.481 7 1HD LYS 1 2HD LYS 1 2.973 -3.607 0.248 8 2HD LYS 1 3HD LYS 1 3.881 -3.731 -1.246 9 1HE LYS 1 2HE LYS 1 5.373 -2.776 1.189 10 2HE LYS 1 3HE LYS 1 4.919 -4.468 1.144 11 1HZ LYS 1 1HZ LYS 1 7.099 -3.594 0.037 12 2HZ LYS 1 2HZ LYS 1 6.275 -4.853 -0.596 13 3HZ LYS 1 3HZ LYS 1 6.115 -3.364 -1.246 14 H SER 2 HN SER 2 2.671 0.211 -3.758 15 HA SER 2 HA SER 2 0.472 1.864 -4.421 16 1HB SER 2 2HB SER 2 2.908 0.828 -5.728 17 2HB SER 2 3HB SER 2 1.545 0.919 -6.826 18 HG SER 2 HG SER 2 1.385 3.125 -6.533 19 HA PRO 3 HA PRO 3 -2.315 -1.259 -5.611 20 1HB PRO 3 2HB PRO 3 -3.881 0.046 -7.432 21 2HB PRO 3 3HB PRO 3 -4.073 0.226 -5.699 22 1HG PRO 3 2HG PRO 3 -2.878 2.111 -7.637 23 2HG PRO 3 3HG PRO 3 -3.460 2.427 -6.014 24 1HD PRO 3 2HD PRO 3 -0.724 2.174 -6.837 25 2HD PRO 3 3HD PRO 3 -1.312 2.373 -5.198 26 H GLU 4 HN GLU 4 -0.719 0.406 -8.239 27 HA GLU 4 HA GLU 4 -1.352 -1.432 -10.188 28 1HB GLU 4 2HB GLU 4 0.148 0.919 -10.006 29 2HB GLU 4 3HB GLU 4 1.353 -0.278 -10.439 30 1HG GLU 4 2HG GLU 4 -1.245 -0.384 -11.944 31 2HG GLU 4 3HG GLU 4 -0.202 0.984 -12.279 32 H GLU 5 HN GLU 5 1.144 -1.446 -7.634 33 HA GLU 5 HA GLU 5 2.664 -3.514 -8.728 34 1HB GLU 5 2HB GLU 5 2.521 -2.003 -6.201 35 2HB GLU 5 3HB GLU 5 3.011 -3.667 -5.954 36 1HG GLU 5 2HG GLU 5 4.468 -2.861 -8.233 37 2HG GLU 5 3HG GLU 5 4.500 -1.452 -7.191 38 H LEU 6 HN LEU 6 -0.282 -3.400 -6.724 39 HA LEU 6 HA LEU 6 -0.226 -6.043 -5.822 40 1HB LEU 6 2HB LEU 6 -2.211 -3.861 -6.063 41 2HB LEU 6 3HB LEU 6 -2.863 -5.483 -5.948 42 HG LEU 6 HG LEU 6 -0.851 -4.412 -3.963 43 1HD1 LEU 6 1HD1 LEU 6 -3.708 -3.767 -4.242 44 2HD1 LEU 6 2HD1 LEU 6 -3.232 -4.342 -2.626 45 3HD1 LEU 6 3HD1 LEU 6 -2.416 -2.933 -3.345 46 1HD2 LEU 6 1HD2 LEU 6 -2.888 -6.446 -3.239 47 2HD2 LEU 6 2HD2 LEU 6 -1.603 -6.962 -4.358 48 3HD2 LEU 6 3HD2 LEU 6 -1.179 -6.300 -2.761 49 H LYS 7 HN LYS 7 -1.345 -4.527 -8.873 50 HA LYS 7 HA LYS 7 -2.615 -6.855 -9.842 51 1HB LYS 7 2HB LYS 7 -2.591 -4.228 -10.550 52 2HB LYS 7 3HB LYS 7 -1.534 -4.890 -11.781 53 1HG LYS 7 2HG LYS 7 -4.270 -6.069 -11.112 54 2HG LYS 7 3HG LYS 7 -4.019 -4.881 -12.375 55 1HD LYS 7 2HD LYS 7 -2.045 -6.876 -12.832 56 2HD LYS 7 3HD LYS 7 -3.502 -7.760 -12.425 57 1HE LYS 7 2HE LYS 7 -3.909 -7.484 -14.686 58 2HE LYS 7 3HE LYS 7 -4.621 -5.985 -14.124 59 1HZ LYS 7 1HZ LYS 7 -1.803 -6.189 -14.910 60 2HZ LYS 7 2HZ LYS 7 -2.987 -5.783 -15.960 61 3HZ LYS 7 3HZ LYS 7 -2.674 -4.828 -14.673 62 H GLY 8 HN GLY 8 0.633 -5.361 -10.471 63 1HA GLY 8 1HA GLY 8 1.584 -7.304 -12.216 64 2HA GLY 8 2HA GLY 8 2.557 -6.270 -11.189 65 H ILE 9 HN ILE 9 2.116 -7.009 -8.623 66 HA ILE 9 HA ILE 9 3.559 -9.342 -8.344 67 HB ILE 9 HB ILE 9 1.941 -7.595 -6.560 68 1HG1 ILE 9 2HG1 ILE 9 4.826 -8.524 -6.612 69 2HG1 ILE 9 3HG1 ILE 9 4.217 -6.959 -7.109 70 1HG2 ILE 9 1HG2 ILE 9 2.527 -10.449 -6.021 71 2HG2 ILE 9 2HG2 ILE 9 2.930 -9.302 -4.721 72 3HG2 ILE 9 3HG2 ILE 9 1.269 -9.380 -5.356 73 1HD1 ILE 9 1HD1 ILE 9 3.219 -6.884 -4.643 74 2HD1 ILE 9 2HD1 ILE 9 4.482 -8.097 -4.327 75 3HD1 ILE 9 3HD1 ILE 9 4.929 -6.485 -4.934 76 H PHE 10 HN PHE 10 -0.014 -8.793 -8.146 77 HA PHE 10 HA PHE 10 -0.781 -11.304 -7.412 78 1HB PHE 10 2HB PHE 10 -2.440 -9.579 -7.619 79 2HB PHE 10 3HB PHE 10 -1.853 -9.080 -9.193 80 HD1 PHE 10 HD1 PHE 10 -4.065 -11.333 -7.400 81 HD2 PHE 10 HD2 PHE 10 -2.469 -10.362 -11.210 82 HE1 PHE 10 HE1 PHE 10 -5.871 -12.685 -8.501 83 HE2 PHE 10 HE2 PHE 10 -4.274 -11.713 -12.311 84 HZ PHE 10 HZ PHE 10 -5.954 -12.859 -10.944 85 H GLU 11 HN GLU 11 -0.364 -10.063 -10.807 86 HA GLU 11 HA GLU 11 -0.949 -12.496 -11.988 87 1HB GLU 11 2HB GLU 11 0.015 -9.865 -12.800 88 2HB GLU 11 3HB GLU 11 0.847 -11.116 -13.702 89 1HG GLU 11 2HG GLU 11 -1.919 -11.881 -13.578 90 2HG GLU 11 3HG GLU 11 -1.882 -10.181 -14.001 91 H LYS 12 HN LYS 12 2.081 -11.110 -10.688 92 HA LYS 12 HA LYS 12 3.861 -12.894 -11.867 93 1HB LYS 12 2HB LYS 12 4.213 -10.693 -10.488 94 2HB LYS 12 3HB LYS 12 4.278 -11.770 -9.108 95 1HG LYS 12 2HG LYS 12 6.094 -13.082 -10.188 96 2HG LYS 12 3HG LYS 12 6.005 -12.064 -11.612 97 1HD LYS 12 2HD LYS 12 6.476 -10.065 -10.020 98 2HD LYS 12 3HD LYS 12 6.893 -11.263 -8.811 99 1HE LYS 12 2HE LYS 12 8.528 -12.262 -10.543 100 2HE LYS 12 3HE LYS 12 8.235 -10.834 -11.516 101 1HZ LYS 12 1HZ LYS 12 9.582 -9.692 -10.224 102 2HZ LYS 12 2HZ LYS 12 8.789 -10.111 -8.860 103 3HZ LYS 12 3HZ LYS 12 9.984 -11.064 -9.435 104 H TYR 13 HN TYR 13 1.551 -13.247 -9.214 105 HA TYR 13 HA TYR 13 2.770 -15.777 -8.430 106 1HB TYR 13 2HB TYR 13 0.742 -13.749 -7.442 107 2HB TYR 13 3HB TYR 13 0.475 -15.404 -6.931 108 HD1 TYR 13 HD1 TYR 13 2.914 -12.601 -6.833 109 HD2 TYR 13 HD2 TYR 13 1.789 -16.394 -5.204 110 HE1 TYR 13 HE1 TYR 13 4.597 -12.300 -4.952 111 HE2 TYR 13 HE2 TYR 13 3.476 -16.080 -3.328 112 HH TYR 13 HH TYR 13 5.665 -14.760 -3.080 113 H ALA 14 HN ALA 14 -0.183 -14.397 -9.951 114 HA ALA 14 HA ALA 14 -1.608 -16.827 -10.003 115 1HB ALA 14 1HB ALA 14 -1.966 -14.619 -12.028 116 2HB ALA 14 2HB ALA 14 -3.196 -15.609 -11.206 117 3HB ALA 14 3HB ALA 14 -2.348 -14.322 -10.315 118 H ALA 15 HN ALA 15 0.983 -15.430 -11.962 119 HA ALA 15 HA ALA 15 0.509 -17.216 -14.168 120 1HB ALA 15 1HB ALA 15 2.772 -16.203 -14.879 121 2HB ALA 15 2HB ALA 15 1.389 -15.091 -14.744 122 3HB ALA 15 3HB ALA 15 2.611 -15.153 -13.451 123 H LYS 16 HN LYS 16 2.100 -17.277 -11.069 124 HA LYS 16 HA LYS 16 4.234 -18.951 -11.573 125 1HB LYS 16 2HB LYS 16 3.012 -17.791 -9.351 126 2HB LYS 16 3HB LYS 16 2.878 -19.512 -9.047 127 1HG LYS 16 2HG LYS 16 5.385 -19.672 -9.694 128 2HG LYS 16 3HG LYS 16 5.417 -17.922 -9.605 129 1HD LYS 16 2HD LYS 16 5.152 -17.885 -7.293 130 2HD LYS 16 3HD LYS 16 4.193 -19.351 -7.266 131 1HE LYS 16 2HE LYS 16 6.146 -20.237 -6.404 132 2HE LYS 16 3HE LYS 16 6.521 -20.444 -8.103 133 1HZ LYS 16 1HZ LYS 16 8.153 -18.997 -7.910 134 2HZ LYS 16 2HZ LYS 16 7.195 -17.852 -7.248 135 3HZ LYS 16 3HZ LYS 16 7.919 -18.962 -6.294 136 H GLU 17 HN GLU 17 0.977 -19.971 -10.311 137 HA GLU 17 HA GLU 17 1.440 -22.464 -11.756 138 1HB GLU 17 2HB GLU 17 0.213 -21.938 -9.036 139 2HB GLU 17 3HB GLU 17 -0.211 -23.386 -9.928 140 1HG GLU 17 2HG GLU 17 2.605 -23.250 -10.128 141 2HG GLU 17 3HG GLU 17 2.267 -22.754 -8.481 142 H GLY 18 HN GLY 18 -0.122 -23.096 -13.222 143 1HA GLY 18 1HA GLY 18 -2.018 -23.065 -14.430 144 2HA GLY 18 2HA GLY 18 -2.852 -22.441 -13.021 145 H ASP 19 HN ASP 19 -3.902 -21.392 -15.171 146 HA ASP 19 HA ASP 19 -2.603 -19.382 -16.479 147 1HB ASP 19 2HB ASP 19 -5.081 -20.460 -16.612 148 2HB ASP 19 3HB ASP 19 -5.498 -19.003 -15.734 149 HA PRO 20 HA PRO 20 -2.381 -16.318 -13.333 150 1HB PRO 20 2HB PRO 20 -1.650 -14.161 -14.843 151 2HB PRO 20 3HB PRO 20 -0.511 -15.368 -14.282 152 1HG PRO 20 2HG PRO 20 -1.619 -14.986 -16.996 153 2HG PRO 20 3HG PRO 20 -0.194 -15.882 -16.508 154 1HD PRO 20 2HD PRO 20 -2.744 -16.975 -17.237 155 2HD PRO 20 3HD PRO 20 -1.356 -17.862 -16.639 156 H ASN 21 HN ASN 21 -4.716 -16.473 -15.659 157 HA ASN 21 HA ASN 21 -5.940 -14.001 -14.874 158 1HB ASN 21 2HB ASN 21 -7.164 -16.209 -16.595 159 2HB ASN 21 3HB ASN 21 -7.597 -14.511 -16.585 160 1HD2 ASN 21 1HD2 ASN 21 -4.805 -13.637 -16.339 161 2HD2 ASN 21 2HD2 ASN 21 -4.077 -13.814 -17.901 162 H GLN 22 HN GLN 22 -5.518 -16.833 -13.320 163 HA GLN 22 HA GLN 22 -7.965 -16.564 -11.882 164 1HB GLN 22 2HB GLN 22 -8.119 -19.267 -12.134 165 2HB GLN 22 3HB GLN 22 -9.031 -18.155 -13.134 166 1HG GLN 22 2HG GLN 22 -7.354 -18.263 -14.913 167 2HG GLN 22 3HG GLN 22 -6.257 -19.174 -13.894 168 1HE2 GLN 22 1HE2 GLN 22 -6.092 -21.070 -14.859 169 2HE2 GLN 22 2HE2 GLN 22 -7.393 -22.142 -15.257 170 H LEU 23 HN LEU 23 -7.385 -16.659 -9.756 171 HA LEU 23 HA LEU 23 -4.796 -17.709 -9.091 172 1HB LEU 23 2HB LEU 23 -6.963 -16.261 -7.590 173 2HB LEU 23 3HB LEU 23 -5.592 -16.967 -6.758 174 HG LEU 23 HG LEU 23 -5.617 -14.437 -7.536 175 1HD1 LEU 23 1HD1 LEU 23 -3.006 -14.783 -7.906 176 2HD1 LEU 23 2HD1 LEU 23 -3.776 -14.980 -6.313 177 3HD1 LEU 23 3HD1 LEU 23 -3.396 -16.411 -7.301 178 1HD2 LEU 23 1HD2 LEU 23 -4.230 -14.265 -9.672 179 2HD2 LEU 23 2HD2 LEU 23 -4.752 -15.933 -10.010 180 3HD2 LEU 23 3HD2 LEU 23 -5.961 -14.638 -9.850 181 H SER 24 HN SER 24 -4.640 -19.142 -7.028 182 HA SER 24 HA SER 24 -6.847 -21.001 -6.909 183 1HB SER 24 2HB SER 24 -3.982 -21.927 -7.392 184 2HB SER 24 3HB SER 24 -5.387 -22.958 -7.215 185 HG SER 24 HG SER 24 -4.553 -21.396 -9.426 186 H LYS 25 HN LYS 25 -6.308 -22.724 -5.069 187 HA LYS 25 HA LYS 25 -5.912 -21.315 -2.718 188 1HB LYS 25 2HB LYS 25 -7.139 -23.484 -3.021 189 2HB LYS 25 3HB LYS 25 -5.594 -24.300 -3.143 190 1HG LYS 25 2HG LYS 25 -5.217 -22.817 -0.842 191 2HG LYS 25 3HG LYS 25 -6.938 -23.133 -0.751 192 1HD LYS 25 2HD LYS 25 -4.962 -25.369 -1.344 193 2HD LYS 25 3HD LYS 25 -5.307 -24.882 0.304 194 1HE LYS 25 2HE LYS 25 -7.351 -25.904 0.298 195 2HE LYS 25 3HE LYS 25 -7.775 -25.241 -1.268 196 1HZ LYS 25 1HZ LYS 25 -5.767 -27.324 -1.213 197 2HZ LYS 25 2HZ LYS 25 -7.312 -27.769 -0.928 198 3HZ LYS 25 3HZ LYS 25 -6.923 -27.023 -2.327 199 H GLU 26 HN GLU 26 -3.671 -23.696 -4.315 200 HA GLU 26 HA GLU 26 -1.588 -23.226 -2.582 201 1HB GLU 26 2HB GLU 26 -2.076 -24.773 -4.921 202 2HB GLU 26 3HB GLU 26 -0.623 -23.853 -5.257 203 1HG GLU 26 2HG GLU 26 -0.908 -25.250 -2.584 204 2HG GLU 26 3HG GLU 26 -0.463 -26.186 -3.997 205 H GLU 27 HN GLU 27 -2.489 -21.634 -5.690 206 HA GLU 27 HA GLU 27 -0.199 -20.125 -5.955 207 1HB GLU 27 2HB GLU 27 -2.972 -20.074 -7.029 208 2HB GLU 27 3HB GLU 27 -2.149 -18.528 -7.076 209 1HG GLU 27 2HG GLU 27 -0.130 -20.066 -8.020 210 2HG GLU 27 3HG GLU 27 -1.468 -21.091 -8.501 211 H LEU 28 HN LEU 28 -3.414 -19.196 -4.522 212 HA LEU 28 HA LEU 28 -2.631 -16.669 -3.688 213 1HB LEU 28 2HB LEU 28 -4.947 -17.848 -3.847 214 2HB LEU 28 3HB LEU 28 -4.628 -18.334 -2.194 215 HG LEU 28 HG LEU 28 -4.958 -16.254 -1.355 216 1HD1 LEU 28 1HD1 LEU 28 -3.045 -15.207 -2.369 217 2HD1 LEU 28 2HD1 LEU 28 -3.878 -15.097 -3.938 218 3HD1 LEU 28 3HD1 LEU 28 -4.454 -14.135 -2.556 219 1HD2 LEU 28 1HD2 LEU 28 -6.780 -15.114 -2.438 220 2HD2 LEU 28 2HD2 LEU 28 -6.386 -15.872 -3.999 221 3HD2 LEU 28 3HD2 LEU 28 -6.986 -16.869 -2.653 222 H LYS 29 HN LYS 29 -2.442 -19.878 -2.048 223 HA LYS 29 HA LYS 29 -1.727 -19.164 0.445 224 1HB LYS 29 2HB LYS 29 -2.016 -21.470 -0.310 225 2HB LYS 29 3HB LYS 29 -0.540 -21.382 -1.250 226 1HG LYS 29 2HG LYS 29 0.835 -21.482 0.622 227 2HG LYS 29 3HG LYS 29 -0.307 -20.636 1.647 228 1HD LYS 29 2HD LYS 29 -0.486 -22.797 2.513 229 2HD LYS 29 3HD LYS 29 -1.789 -22.818 1.341 230 1HE LYS 29 2HE LYS 29 0.320 -23.597 -0.252 231 2HE LYS 29 3HE LYS 29 0.831 -24.254 1.290 232 1HZ LYS 29 1HZ LYS 29 -1.918 -24.675 0.452 233 2HZ LYS 29 2HZ LYS 29 -0.746 -25.575 -0.242 234 3HZ LYS 29 3HZ LYS 29 -0.961 -25.623 1.376 235 H LEU 30 HN LEU 30 0.589 -19.521 -2.335 236 HA LEU 30 HA LEU 30 2.831 -18.677 -0.980 237 1HB LEU 30 2HB LEU 30 2.139 -18.262 -3.891 238 2HB LEU 30 3HB LEU 30 3.744 -18.178 -3.192 239 HG LEU 30 HG LEU 30 2.034 -20.562 -3.767 240 1HD1 LEU 30 1HD1 LEU 30 3.660 -20.193 -5.398 241 2HD1 LEU 30 2HD1 LEU 30 4.904 -19.755 -4.203 242 3HD1 LEU 30 3HD1 LEU 30 4.377 -21.448 -4.359 243 1HD2 LEU 30 1HD2 LEU 30 4.074 -20.438 -1.534 244 2HD2 LEU 30 2HD2 LEU 30 2.355 -20.886 -1.424 245 3HD2 LEU 30 3HD2 LEU 30 3.499 -21.949 -2.279 246 H LEU 31 HN LEU 31 0.588 -16.683 -3.033 247 HA LEU 31 HA LEU 31 1.774 -14.259 -2.597 248 1HB LEU 31 2HB LEU 31 -0.231 -15.031 -4.073 249 2HB LEU 31 3HB LEU 31 -1.208 -14.544 -2.703 250 HG LEU 31 HG LEU 31 0.685 -12.455 -3.355 251 1HD1 LEU 31 1HD1 LEU 31 0.794 -12.646 -5.577 252 2HD1 LEU 31 2HD1 LEU 31 -0.532 -13.832 -5.635 253 3HD1 LEU 31 3HD1 LEU 31 -0.898 -12.091 -5.579 254 1HD2 LEU 31 1HD2 LEU 31 -2.276 -12.765 -3.034 255 2HD2 LEU 31 2HD2 LEU 31 -1.124 -11.752 -2.130 256 3HD2 LEU 31 3HD2 LEU 31 -1.628 -11.280 -3.771 257 H LEU 32 HN LEU 32 -1.089 -15.537 -0.750 258 HA LEU 32 HA LEU 32 -1.152 -13.606 1.168 259 1HB LEU 32 2HB LEU 32 -1.715 -16.547 1.564 260 2HB LEU 32 3HB LEU 32 -2.315 -15.228 2.550 261 HG LEU 32 HG LEU 32 -2.955 -15.473 -0.395 262 1HD1 LEU 32 1HD1 LEU 32 -5.257 -16.238 0.739 263 2HD1 LEU 32 2HD1 LEU 32 -3.998 -17.387 0.224 264 3HD1 LEU 32 3HD1 LEU 32 -4.120 -16.907 1.934 265 1HD2 LEU 32 1HD2 LEU 32 -3.753 -13.422 -0.053 266 2HD2 LEU 32 2HD2 LEU 32 -5.037 -14.194 0.908 267 3HD2 LEU 32 3HD2 LEU 32 -3.583 -13.558 1.713 268 H GLN 33 HN GLN 33 1.272 -16.076 0.635 269 HA GLN 33 HA GLN 33 2.229 -16.164 3.265 270 1HB GLN 33 2HB GLN 33 2.691 -17.596 0.965 271 2HB GLN 33 3HB GLN 33 4.161 -16.645 1.047 272 1HG GLN 33 2HG GLN 33 4.361 -17.388 3.508 273 2HG GLN 33 3HG GLN 33 3.059 -18.516 3.188 274 1HE2 GLN 33 1HE2 GLN 33 3.362 -20.268 1.850 275 2HE2 GLN 33 2HE2 GLN 33 4.921 -20.830 1.345 276 H THR 34 HN THR 34 3.556 -14.539 0.285 277 HA THR 34 HA THR 34 5.263 -12.898 1.957 278 HB THR 34 HB THR 34 5.038 -13.741 -0.888 279 HG1 THR 34 HG1 THR 34 6.751 -14.343 0.609 280 1HG2 THR 34 1HG2 THR 34 4.821 -11.419 -1.461 281 2HG2 THR 34 2HG2 THR 34 5.820 -10.906 -0.080 282 3HG2 THR 34 3HG2 THR 34 6.577 -11.710 -1.476 283 H GLU 35 HN GLU 35 2.515 -12.429 -0.352 284 HA GLU 35 HA GLU 35 2.361 -9.749 -0.253 285 1HB GLU 35 2HB GLU 35 0.894 -10.986 -1.697 286 2HB GLU 35 3HB GLU 35 0.172 -11.855 -0.358 287 1HG GLU 35 2HG GLU 35 -1.424 -10.170 -0.971 288 2HG GLU 35 3HG GLU 35 -0.689 -9.604 0.516 289 H PHE 36 HN PHE 36 0.541 -11.996 1.964 290 HA PHE 36 HA PHE 36 0.962 -10.123 4.122 291 1HB PHE 36 2HB PHE 36 -1.731 -10.907 2.873 292 2HB PHE 36 3HB PHE 36 -1.639 -10.325 4.524 293 HD1 PHE 36 HD1 PHE 36 -2.782 -9.240 1.657 294 HD2 PHE 36 HD2 PHE 36 0.323 -8.160 4.340 295 HE1 PHE 36 HE1 PHE 36 -2.890 -6.873 0.829 296 HE2 PHE 36 HE2 PHE 36 0.214 -5.793 3.512 297 HZ PHE 36 HZ PHE 36 -1.391 -5.178 1.767 298 HA PRO 37 HA PRO 37 1.073 -14.373 5.514 299 1HB PRO 37 2HB PRO 37 3.192 -14.092 7.216 300 2HB PRO 37 3HB PRO 37 3.367 -14.569 5.538 301 1HG PRO 37 2HG PRO 37 3.955 -11.958 6.793 302 2HG PRO 37 3HG PRO 37 4.506 -12.584 5.252 303 1HD PRO 37 2HD PRO 37 2.439 -10.642 5.675 304 2HD PRO 37 3HD PRO 37 2.911 -11.354 4.145 305 H SER 38 HN SER 38 0.777 -11.379 7.127 306 HA SER 38 HA SER 38 0.237 -12.470 9.651 307 1HB SER 38 2HB SER 38 0.868 -10.030 8.962 308 2HB SER 38 3HB SER 38 -0.841 -9.817 8.641 309 HG SER 38 HG SER 38 0.216 -9.396 10.935 310 H LEU 39 HN LEU 39 -1.656 -11.886 6.703 311 HA LEU 39 HA LEU 39 -4.199 -12.014 7.933 312 1HB LEU 39 2HB LEU 39 -3.095 -11.574 5.347 313 2HB LEU 39 3HB LEU 39 -4.278 -12.860 5.209 314 HG LEU 39 HG LEU 39 -5.028 -10.415 4.859 315 1HD1 LEU 39 1HD1 LEU 39 -6.892 -11.597 6.812 316 2HD1 LEU 39 2HD1 LEU 39 -7.136 -11.144 5.108 317 3HD1 LEU 39 3HD1 LEU 39 -6.364 -12.695 5.515 318 1HD2 LEU 39 1HD2 LEU 39 -3.972 -10.098 7.406 319 2HD2 LEU 39 2HD2 LEU 39 -5.023 -8.953 6.539 320 3HD2 LEU 39 3HD2 LEU 39 -5.732 -10.129 7.671 321 H LEU 40 HN LEU 40 -1.749 -14.365 7.135 322 HA LEU 40 HA LEU 40 -3.546 -16.565 6.874 323 1HB LEU 40 2HB LEU 40 -0.561 -16.371 7.280 324 2HB LEU 40 3HB LEU 40 -1.420 -17.886 7.082 325 HG LEU 40 HG LEU 40 -1.392 -15.650 5.036 326 1HD1 LEU 40 1HD1 LEU 40 0.001 -17.525 3.798 327 2HD1 LEU 40 2HD1 LEU 40 0.779 -16.352 4.889 328 3HD1 LEU 40 3HD1 LEU 40 0.410 -17.995 5.466 329 1HD2 LEU 40 1HD2 LEU 40 -2.707 -18.334 5.158 330 2HD2 LEU 40 2HD2 LEU 40 -3.310 -16.788 4.515 331 3HD2 LEU 40 3HD2 LEU 40 -2.117 -17.731 3.590 332 H LYS 41 HN LYS 41 -2.007 -14.795 9.507 333 HA LYS 41 HA LYS 41 -2.254 -16.880 11.419 334 1HB LYS 41 2HB LYS 41 -1.253 -15.427 12.859 335 2HB LYS 41 3HB LYS 41 -0.765 -14.690 11.346 336 1HG LYS 41 2HG LYS 41 -1.634 -12.804 12.361 337 2HG LYS 41 3HG LYS 41 -3.114 -13.397 11.633 338 1HD LYS 41 2HD LYS 41 -3.099 -14.814 14.005 339 2HD LYS 41 3HD LYS 41 -2.308 -13.332 14.502 340 1HE LYS 41 2HE LYS 41 -4.234 -12.106 14.334 341 2HE LYS 41 3HE LYS 41 -4.667 -12.824 12.796 342 1HZ LYS 41 1HZ LYS 41 -6.207 -13.841 14.006 343 2HZ LYS 41 2HZ LYS 41 -5.020 -14.856 14.482 344 3HZ LYS 41 3HZ LYS 41 -5.447 -13.597 15.431 345 H GLY 42 HN GLY 42 -4.356 -14.315 10.135 346 1HA GLY 42 1HA GLY 42 -6.243 -13.930 12.011 347 2HA GLY 42 2HA GLY 42 -6.605 -14.117 10.307 348 H MET 43 HN MET 43 -8.499 -14.894 12.206 349 HA MET 43 HA MET 43 -8.229 -17.601 12.897 350 1HB MET 43 2HB MET 43 -10.709 -15.814 12.606 351 2HB MET 43 3HB MET 43 -10.698 -17.361 13.428 352 1HG MET 43 2HG MET 43 -8.734 -15.209 14.273 353 2HG MET 43 3HG MET 43 -10.395 -15.125 14.823 354 1HE MET 43 1HE MET 43 -9.062 -15.769 17.731 355 2HE MET 43 2HE MET 43 -7.534 -16.566 17.285 356 3HE MET 43 3HE MET 43 -8.060 -15.101 16.420 357 H SER 44 HN SER 44 -8.576 -16.175 9.880 358 HA SER 44 HA SER 44 -10.389 -18.177 8.874 359 1HB SER 44 2HB SER 44 -8.981 -15.831 7.528 360 2HB SER 44 3HB SER 44 -10.063 -16.925 6.690 361 HG SER 44 HG SER 44 -10.945 -15.608 9.086 362 H THR 45 HN THR 45 -9.325 -20.171 8.807 363 HA THR 45 HA THR 45 -6.596 -20.472 8.240 364 HB THR 45 HB THR 45 -7.287 -22.890 8.010 365 HG1 THR 45 HG1 THR 45 -9.396 -23.147 7.393 366 1HG2 THR 45 1HG2 THR 45 -8.495 -21.205 10.241 367 2HG2 THR 45 2HG2 THR 45 -8.771 -22.962 10.180 368 3HG2 THR 45 3HG2 THR 45 -7.115 -22.326 10.327 369 H LEU 46 HN LEU 46 -5.800 -21.894 6.338 370 HA LEU 46 HA LEU 46 -5.952 -20.391 4.052 371 1HB LEU 46 2HB LEU 46 -4.361 -22.313 4.868 372 2HB LEU 46 3HB LEU 46 -5.425 -23.333 3.921 373 HG LEU 46 HG LEU 46 -3.294 -22.452 2.811 374 1HD1 LEU 46 1HD1 LEU 46 -5.362 -21.646 0.932 375 2HD1 LEU 46 2HD1 LEU 46 -4.264 -23.047 0.900 376 3HD1 LEU 46 3HD1 LEU 46 -5.795 -23.137 1.804 377 1HD2 LEU 46 1HD2 LEU 46 -3.190 -20.262 1.982 378 2HD2 LEU 46 2HD2 LEU 46 -4.906 -19.947 2.337 379 3HD2 LEU 46 3HD2 LEU 46 -3.732 -20.080 3.668 380 H ASP 47 HN ASP 47 -7.497 -23.654 4.513 381 HA ASP 47 HA ASP 47 -8.922 -23.743 2.272 382 1HB ASP 47 2HB ASP 47 -9.270 -24.769 5.036 383 2HB ASP 47 3HB ASP 47 -10.771 -24.689 4.136 384 H GLU 48 HN GLU 48 -9.920 -22.196 5.413 385 HA GLU 48 HA GLU 48 -12.405 -21.369 4.642 386 1HB GLU 48 2HB GLU 48 -10.536 -20.838 6.804 387 2HB GLU 48 3HB GLU 48 -11.336 -19.347 6.347 388 1HG GLU 48 2HG GLU 48 -13.512 -20.951 6.348 389 2HG GLU 48 3HG GLU 48 -12.527 -21.880 7.460 390 H LEU 49 HN LEU 49 -9.211 -19.710 4.283 391 HA LEU 49 HA LEU 49 -10.284 -17.357 3.178 392 1HB LEU 49 2HB LEU 49 -7.857 -18.183 4.120 393 2HB LEU 49 3HB LEU 49 -7.557 -18.134 2.394 394 HG LEU 49 HG LEU 49 -8.749 -15.733 2.679 395 1HD1 LEU 49 1HD1 LEU 49 -8.814 -14.895 4.737 396 2HD1 LEU 49 2HD1 LEU 49 -8.474 -16.536 5.337 397 3HD1 LEU 49 3HD1 LEU 49 -7.137 -15.392 5.068 398 1HD2 LEU 49 1HD2 LEU 49 -6.007 -16.722 2.535 399 2HD2 LEU 49 2HD2 LEU 49 -6.794 -15.378 1.672 400 3HD2 LEU 49 3HD2 LEU 49 -6.123 -15.119 3.301 401 H PHE 50 HN PHE 50 -9.107 -20.458 1.783 402 HA PHE 50 HA PHE 50 -9.160 -19.673 -0.878 403 1HB PHE 50 2HB PHE 50 -8.205 -21.795 0.191 404 2HB PHE 50 3HB PHE 50 -9.842 -22.362 0.457 405 HD1 PHE 50 HD1 PHE 50 -8.668 -20.624 -2.591 406 HD2 PHE 50 HD2 PHE 50 -9.768 -24.332 -0.846 407 HE1 PHE 50 HE1 PHE 50 -8.668 -21.692 -4.862 408 HE2 PHE 50 HE2 PHE 50 -9.767 -25.401 -3.117 409 HZ PHE 50 HZ PHE 50 -9.218 -24.068 -5.098 410 H GLU 51 HN GLU 51 -11.699 -21.376 1.093 411 HA GLU 51 HA GLU 51 -13.543 -21.309 -1.022 412 1HB GLU 51 2HB GLU 51 -15.122 -22.206 0.589 413 2HB GLU 51 3HB GLU 51 -13.566 -22.963 0.869 414 1HG GLU 51 2HG GLU 51 -14.252 -22.378 3.050 415 2HG GLU 51 3HG GLU 51 -13.172 -21.065 2.625 416 H GLU 52 HN GLU 52 -12.892 -19.235 1.844 417 HA GLU 52 HA GLU 52 -15.184 -17.697 1.636 418 1HB GLU 52 2HB GLU 52 -13.761 -17.705 3.638 419 2HB GLU 52 3HB GLU 52 -12.424 -17.015 2.738 420 1HG GLU 52 2HG GLU 52 -14.213 -15.097 2.181 421 2HG GLU 52 3HG GLU 52 -14.992 -15.698 3.631 422 H LEU 53 HN LEU 53 -11.804 -17.018 0.466 423 HA LEU 53 HA LEU 53 -12.383 -14.641 -0.809 424 1HB LEU 53 2HB LEU 53 -10.331 -16.735 -1.540 425 2HB LEU 53 3HB LEU 53 -10.335 -15.073 -2.093 426 HG LEU 53 HG LEU 53 -10.316 -15.617 0.857 427 1HD1 LEU 53 1HD1 LEU 53 -7.626 -15.312 -0.142 428 2HD1 LEU 53 2HD1 LEU 53 -8.312 -16.566 0.919 429 3HD1 LEU 53 3HD1 LEU 53 -8.395 -16.752 -0.850 430 1HD2 LEU 53 1HD2 LEU 53 -9.163 -13.518 0.982 431 2HD2 LEU 53 2HD2 LEU 53 -8.965 -13.462 -0.786 432 3HD2 LEU 53 3HD2 LEU 53 -10.587 -13.316 -0.067 433 H ASP 54 HN ASP 54 -12.247 -17.983 -2.236 434 HA ASP 54 HA ASP 54 -13.210 -17.101 -4.703 435 1HB ASP 54 2HB ASP 54 -11.994 -19.342 -3.924 436 2HB ASP 54 3HB ASP 54 -13.630 -19.922 -3.683 437 H LYS 55 HN LYS 55 -15.094 -15.777 -3.736 438 HA LYS 55 HA LYS 55 -17.234 -17.125 -2.481 439 1HB LYS 55 2HB LYS 55 -16.468 -14.512 -2.800 440 2HB LYS 55 3HB LYS 55 -17.825 -14.607 -3.904 441 1HG LYS 55 2HG LYS 55 -18.147 -15.847 -1.173 442 2HG LYS 55 3HG LYS 55 -18.165 -14.098 -1.282 443 1HD LYS 55 2HD LYS 55 -20.102 -14.066 -2.650 444 2HD LYS 55 3HD LYS 55 -19.873 -15.717 -3.190 445 1HE LYS 55 2HE LYS 55 -20.278 -16.421 -0.723 446 2HE LYS 55 3HE LYS 55 -20.826 -14.778 -0.452 447 1HZ LYS 55 1HZ LYS 55 -21.940 -16.602 -2.469 448 2HZ LYS 55 2HZ LYS 55 -22.627 -16.258 -1.029 449 3HZ LYS 55 3HZ LYS 55 -22.469 -15.089 -2.158 450 H ASN 56 HN ASN 56 -16.121 -16.882 -5.772 451 HA ASN 56 HA ASN 56 -18.690 -17.303 -6.908 452 1HB ASN 56 2HB ASN 56 -17.393 -17.610 -9.034 453 2HB ASN 56 3HB ASN 56 -16.914 -16.149 -8.193 454 1HD2 ASN 56 1HD2 ASN 56 -15.126 -16.775 -9.847 455 2HD2 ASN 56 2HD2 ASN 56 -13.760 -17.618 -9.196 456 H GLY 57 HN GLY 57 -18.626 -19.339 -8.661 457 1HA GLY 57 1HA GLY 57 -17.838 -21.715 -7.083 458 2HA GLY 57 2HA GLY 57 -19.277 -21.608 -8.077 459 H ASP 58 HN ASP 58 -15.782 -20.721 -8.587 460 HA ASP 58 HA ASP 58 -15.898 -22.424 -10.951 461 1HB ASP 58 2HB ASP 58 -14.099 -19.988 -10.715 462 2HB ASP 58 3HB ASP 58 -14.561 -20.850 -12.169 463 H GLY 59 HN GLY 59 -13.682 -20.646 -8.659 464 1HA GLY 59 1HA GLY 59 -12.325 -22.217 -7.255 465 2HA GLY 59 2HA GLY 59 -11.837 -22.955 -8.768 466 H GLU 60 HN GLU 60 -12.274 -19.765 -9.591 467 HA GLU 60 HA GLU 60 -9.478 -19.191 -8.991 468 1HB GLU 60 2HB GLU 60 -9.437 -17.845 -11.047 469 2HB GLU 60 3HB GLU 60 -9.963 -19.478 -11.406 470 1HG GLU 60 2HG GLU 60 -12.384 -18.258 -10.866 471 2HG GLU 60 3HG GLU 60 -11.486 -16.919 -11.555 472 H VAL 61 HN VAL 61 -9.048 -17.449 -7.692 473 HA VAL 61 HA VAL 61 -11.254 -15.939 -6.688 474 HB VAL 61 HB VAL 61 -8.342 -16.229 -6.156 475 1HG1 VAL 61 1HG1 VAL 61 -8.261 -14.278 -4.702 476 2HG1 VAL 61 2HG1 VAL 61 -8.639 -13.778 -6.368 477 3HG1 VAL 61 3HG1 VAL 61 -9.930 -13.845 -5.145 478 1HG2 VAL 61 1HG2 VAL 61 -9.061 -16.675 -3.927 479 2HG2 VAL 61 2HG2 VAL 61 -10.676 -15.994 -4.237 480 3HG2 VAL 61 3HG2 VAL 61 -10.193 -17.525 -5.006 481 H SER 62 HN SER 62 -8.189 -15.061 -8.444 482 HA SER 62 HA SER 62 -7.745 -13.485 -9.868 483 1HB SER 62 2HB SER 62 -10.227 -12.368 -10.704 484 2HB SER 62 3HB SER 62 -9.231 -13.525 -11.564 485 HG SER 62 HG SER 62 -11.551 -13.953 -9.978 486 H PHE 63 HN PHE 63 -7.730 -11.052 -10.139 487 HA PHE 63 HA PHE 63 -7.585 -9.741 -7.769 488 1HB PHE 63 2HB PHE 63 -6.818 -9.098 -10.163 489 2HB PHE 63 3HB PHE 63 -8.466 -8.594 -10.484 490 HD1 PHE 63 HD1 PHE 63 -8.366 -6.290 -10.741 491 HD2 PHE 63 HD2 PHE 63 -6.380 -8.069 -7.440 492 HE1 PHE 63 HE1 PHE 63 -7.847 -4.012 -9.825 493 HE2 PHE 63 HE2 PHE 63 -5.861 -5.790 -6.524 494 HZ PHE 63 HZ PHE 63 -6.601 -3.789 -7.727 495 H GLU 64 HN GLU 64 -10.452 -10.264 -9.839 496 HA GLU 64 HA GLU 64 -12.083 -8.323 -8.845 497 1HB GLU 64 2HB GLU 64 -13.922 -10.187 -9.323 498 2HB GLU 64 3HB GLU 64 -13.022 -9.456 -10.636 499 1HG GLU 64 2HG GLU 64 -11.959 -11.410 -11.149 500 2HG GLU 64 3HG GLU 64 -11.585 -11.750 -9.471 501 H GLU 65 HN GLU 65 -11.784 -11.758 -7.675 502 HA GLU 65 HA GLU 65 -13.398 -11.185 -5.422 503 1HB GLU 65 2HB GLU 65 -11.642 -13.588 -6.087 504 2HB GLU 65 3HB GLU 65 -12.753 -13.523 -4.734 505 1HG GLU 65 2HG GLU 65 -14.651 -13.612 -6.094 506 2HG GLU 65 3HG GLU 65 -13.858 -12.826 -7.445 507 H PHE 66 HN PHE 66 -9.981 -10.987 -6.219 508 HA PHE 66 HA PHE 66 -8.864 -11.306 -3.704 509 1HB PHE 66 2HB PHE 66 -7.844 -11.018 -6.106 510 2HB PHE 66 3HB PHE 66 -8.070 -9.294 -5.887 511 HD1 PHE 66 HD1 PHE 66 -6.919 -8.207 -3.855 512 HD2 PHE 66 HD2 PHE 66 -5.905 -12.058 -5.322 513 HE1 PHE 66 HE1 PHE 66 -4.696 -8.062 -2.698 514 HE2 PHE 66 HE2 PHE 66 -3.682 -11.913 -4.165 515 HZ PHE 66 HZ PHE 66 -3.104 -9.917 -2.867 516 H GLN 67 HN GLN 67 -10.480 -8.499 -5.244 517 HA GLN 67 HA GLN 67 -9.609 -6.586 -3.456 518 1HB GLN 67 2HB GLN 67 -12.236 -6.745 -4.999 519 2HB GLN 67 3HB GLN 67 -11.623 -5.297 -4.226 520 1HG GLN 67 2HG GLN 67 -9.440 -6.185 -5.756 521 2HG GLN 67 3HG GLN 67 -10.818 -6.539 -6.779 522 1HE2 GLN 67 1HE2 GLN 67 -9.304 -4.799 -7.855 523 2HE2 GLN 67 2HE2 GLN 67 -9.850 -3.162 -7.710 524 H VAL 68 HN VAL 68 -11.621 -9.320 -2.948 525 HA VAL 68 HA VAL 68 -13.321 -8.180 -0.965 526 HB VAL 68 HB VAL 68 -12.608 -11.067 -1.510 527 1HG1 VAL 68 1HG1 VAL 68 -13.963 -11.545 0.194 528 2HG1 VAL 68 2HG1 VAL 68 -14.276 -9.813 0.463 529 3HG1 VAL 68 3HG1 VAL 68 -15.300 -10.738 -0.661 530 1HG2 VAL 68 1HG2 VAL 68 -13.427 -9.811 -3.528 531 2HG2 VAL 68 2HG2 VAL 68 -14.466 -11.167 -3.025 532 3HG2 VAL 68 3HG2 VAL 68 -14.940 -9.494 -2.644 533 H LEU 69 HN LEU 69 -10.142 -9.825 -1.057 534 HA LEU 69 HA LEU 69 -10.020 -10.065 1.791 535 1HB LEU 69 2HB LEU 69 -8.918 -11.508 -0.057 536 2HB LEU 69 3HB LEU 69 -7.689 -10.258 -0.092 537 HG LEU 69 HG LEU 69 -6.996 -10.704 2.123 538 1HD1 LEU 69 1HD1 LEU 69 -9.680 -11.963 2.405 539 2HD1 LEU 69 2HD1 LEU 69 -8.343 -12.638 3.367 540 3HD1 LEU 69 3HD1 LEU 69 -8.772 -10.917 3.524 541 1HD2 LEU 69 1HD2 LEU 69 -7.000 -13.422 1.989 542 2HD2 LEU 69 2HD2 LEU 69 -7.348 -12.992 0.297 543 3HD2 LEU 69 3HD2 LEU 69 -5.886 -12.361 1.093 544 H VAL 70 HN VAL 70 -8.924 -7.765 -0.726 545 HA VAL 70 HA VAL 70 -7.119 -6.299 0.711 546 HB VAL 70 HB VAL 70 -9.051 -5.748 -1.494 547 1HG1 VAL 70 1HG1 VAL 70 -7.920 -3.405 -1.615 548 2HG1 VAL 70 2HG1 VAL 70 -9.293 -3.651 -0.508 549 3HG1 VAL 70 3HG1 VAL 70 -7.629 -3.641 0.125 550 1HG2 VAL 70 1HG2 VAL 70 -6.077 -5.224 -1.422 551 2HG2 VAL 70 2HG2 VAL 70 -6.730 -6.859 -1.684 552 3HG2 VAL 70 3HG2 VAL 70 -7.126 -5.549 -2.823 553 H LYS 71 HN LYS 71 -10.569 -6.670 1.207 554 HA LYS 71 HA LYS 71 -10.959 -4.233 2.599 555 1HB LYS 71 2HB LYS 71 -12.587 -6.148 1.519 556 2HB LYS 71 3HB LYS 71 -12.727 -6.516 3.226 557 1HG LYS 71 2HG LYS 71 -12.939 -3.796 3.345 558 2HG LYS 71 3HG LYS 71 -13.579 -4.058 1.735 559 1HD LYS 71 2HD LYS 71 -15.501 -5.019 2.521 560 2HD LYS 71 3HD LYS 71 -14.646 -5.989 3.703 561 1HE LYS 71 2HE LYS 71 -15.277 -4.564 5.350 562 2HE LYS 71 3HE LYS 71 -14.431 -3.251 4.555 563 1HZ LYS 71 1HZ LYS 71 -16.659 -2.632 4.680 564 2HZ LYS 71 2HZ LYS 71 -16.451 -3.065 3.120 565 3HZ LYS 71 3HZ LYS 71 -17.213 -4.074 4.153 566 H LYS 72 HN LYS 72 -10.105 -7.606 3.533 567 HA LYS 72 HA LYS 72 -10.195 -7.057 6.310 568 1HB LYS 72 2HB LYS 72 -8.983 -9.303 4.680 569 2HB LYS 72 3HB LYS 72 -8.946 -9.260 6.431 570 1HG LYS 72 2HG LYS 72 -11.521 -9.040 4.804 571 2HG LYS 72 3HG LYS 72 -10.899 -10.559 5.419 572 1HD LYS 72 2HD LYS 72 -10.816 -9.032 7.707 573 2HD LYS 72 3HD LYS 72 -12.181 -8.296 6.891 574 1HE LYS 72 2HE LYS 72 -12.916 -10.844 6.503 575 2HE LYS 72 3HE LYS 72 -11.867 -11.137 7.876 576 1HZ LYS 72 1HZ LYS 72 -13.511 -8.913 8.360 577 2HZ LYS 72 2HZ LYS 72 -14.429 -10.198 7.943 578 3HZ LYS 72 3HZ LYS 72 -13.396 -10.307 9.203 579 H ILE 73 HN ILE 73 -7.595 -7.130 3.807 580 HA ILE 73 HA ILE 73 -5.572 -6.503 5.715 581 HB ILE 73 HB ILE 73 -5.514 -6.342 2.701 582 1HG1 ILE 73 2HG1 ILE 73 -4.363 -8.683 4.116 583 2HG1 ILE 73 3HG1 ILE 73 -6.112 -8.595 4.085 584 1HG2 ILE 73 1HG2 ILE 73 -3.014 -7.079 3.797 585 2HG2 ILE 73 2HG2 ILE 73 -3.449 -5.576 2.949 586 3HG2 ILE 73 3HG2 ILE 73 -3.590 -5.671 4.721 587 1HD1 ILE 73 1HD1 ILE 73 -6.228 -8.748 1.751 588 2HD1 ILE 73 2HD1 ILE 73 -4.599 -8.068 1.524 589 3HD1 ILE 73 3HD1 ILE 73 -4.793 -9.745 2.088 590 H SER 74 HN SER 74 -8.140 -4.743 4.407 591 HA SER 74 HA SER 74 -6.649 -2.289 4.221 592 1HB SER 74 2HB SER 74 -9.427 -3.199 3.542 593 2HB SER 74 3HB SER 74 -9.230 -1.502 3.932 594 HG SER 74 HG SER 74 -8.928 -2.282 1.589 595 H GLN 75 HN GLN 75 -8.926 -4.017 6.368 596 HA GLN 75 HA GLN 75 -9.483 -1.793 7.986 597 1HB GLN 75 2HB GLN 75 -10.528 -4.322 7.710 598 2HB GLN 75 3HB GLN 75 -9.644 -4.504 9.212 599 1HG GLN 75 2HG GLN 75 -11.661 -3.698 10.045 600 2HG GLN 75 3HG GLN 75 -10.807 -2.182 9.831 601 1HE2 GLN 75 1HE2 GLN 75 -12.530 -4.477 7.712 602 2HE2 GLN 75 2HE2 GLN 75 -13.564 -3.324 6.937 Start of MODEL 19 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.965 0.988 -1.692 3 1HB LYS 1 2HB LYS 1 3.708 -0.540 0.055 4 2HB LYS 1 3HB LYS 1 3.944 -1.007 -1.617 5 1HG LYS 1 2HG LYS 1 4.218 1.395 -2.255 6 2HG LYS 1 3HG LYS 1 3.970 1.869 -0.586 7 1HD LYS 1 2HD LYS 1 6.007 0.775 0.133 8 2HD LYS 1 3HD LYS 1 6.175 -0.074 -1.391 9 1HE LYS 1 2HE LYS 1 7.555 1.633 -2.010 10 2HE LYS 1 3HE LYS 1 6.094 2.575 -2.233 11 1HZ LYS 1 1HZ LYS 1 6.519 3.747 -0.412 12 2HZ LYS 1 2HZ LYS 1 6.994 2.461 0.474 13 3HZ LYS 1 3HZ LYS 1 8.049 3.191 -0.535 14 H SER 2 HN SER 2 1.090 -2.319 -0.638 15 HA SER 2 HA SER 2 1.052 -3.289 -3.302 16 1HB SER 2 2HB SER 2 0.679 -4.348 -0.591 17 2HB SER 2 3HB SER 2 -0.505 -5.013 -1.698 18 HG SER 2 HG SER 2 1.225 -5.685 -3.103 19 HA PRO 3 HA PRO 3 -3.084 -2.355 -4.284 20 1HB PRO 3 2HB PRO 3 -3.924 -4.506 -5.746 21 2HB PRO 3 3HB PRO 3 -2.906 -3.239 -6.403 22 1HG PRO 3 2HG PRO 3 -2.163 -5.987 -5.603 23 2HG PRO 3 3HG PRO 3 -1.291 -4.869 -6.633 24 1HD PRO 3 2HD PRO 3 -0.693 -5.509 -3.902 25 2HD PRO 3 3HD PRO 3 0.106 -4.308 -4.896 26 H GLU 4 HN GLU 4 -2.859 -5.672 -3.118 27 HA GLU 4 HA GLU 4 -5.498 -5.873 -2.384 28 1HB GLU 4 2HB GLU 4 -3.131 -7.426 -2.157 29 2HB GLU 4 3HB GLU 4 -3.757 -7.294 -0.525 30 1HG GLU 4 2HG GLU 4 -6.030 -7.765 -2.182 31 2HG GLU 4 3HG GLU 4 -4.789 -8.857 -2.764 32 H GLU 5 HN GLU 5 -2.722 -4.322 -0.776 33 HA GLU 5 HA GLU 5 -3.909 -4.129 1.743 34 1HB GLU 5 2HB GLU 5 -1.485 -3.210 0.406 35 2HB GLU 5 3HB GLU 5 -2.135 -1.934 1.417 36 1HG GLU 5 2HG GLU 5 -2.408 -4.201 3.036 37 2HG GLU 5 3HG GLU 5 -0.898 -4.506 2.200 38 H LEU 6 HN LEU 6 -4.013 -2.114 -1.214 39 HA LEU 6 HA LEU 6 -5.094 0.184 -0.100 40 1HB LEU 6 2HB LEU 6 -4.932 -1.055 -2.786 41 2HB LEU 6 3HB LEU 6 -6.165 0.172 -2.571 42 HG LEU 6 HG LEU 6 -3.227 0.584 -1.951 43 1HD1 LEU 6 1HD1 LEU 6 -2.809 1.186 -4.066 44 2HD1 LEU 6 2HD1 LEU 6 -4.270 0.250 -4.461 45 3HD1 LEU 6 3HD1 LEU 6 -4.374 2.014 -4.247 46 1HD2 LEU 6 1HD2 LEU 6 -4.000 2.339 -0.812 47 2HD2 LEU 6 2HD2 LEU 6 -4.382 3.049 -2.399 48 3HD2 LEU 6 3HD2 LEU 6 -5.638 2.174 -1.490 49 H LYS 7 HN LYS 7 -6.582 -2.926 -1.065 50 HA LYS 7 HA LYS 7 -9.242 -2.023 -0.856 51 1HB LYS 7 2HB LYS 7 -8.041 -4.236 -1.855 52 2HB LYS 7 3HB LYS 7 -8.624 -4.881 -0.334 53 1HG LYS 7 2HG LYS 7 -10.800 -3.368 -1.255 54 2HG LYS 7 3HG LYS 7 -10.147 -4.059 -2.727 55 1HD LYS 7 2HD LYS 7 -10.386 -5.923 -0.390 56 2HD LYS 7 3HD LYS 7 -11.894 -5.381 -1.099 57 1HE LYS 7 2HE LYS 7 -11.400 -7.318 -2.359 58 2HE LYS 7 3HE LYS 7 -10.825 -6.030 -3.399 59 1HZ LYS 7 1HZ LYS 7 -8.977 -7.256 -3.351 60 2HZ LYS 7 2HZ LYS 7 -8.674 -6.485 -1.944 61 3HZ LYS 7 3HZ LYS 7 -9.319 -7.985 -1.931 62 H GLY 8 HN GLY 8 -7.144 -3.937 1.413 63 1HA GLY 8 1HA GLY 8 -8.944 -4.037 3.530 64 2HA GLY 8 2HA GLY 8 -7.198 -4.140 3.649 65 H ILE 9 HN ILE 9 -6.235 -1.682 2.912 66 HA ILE 9 HA ILE 9 -6.639 -0.142 5.162 67 HB ILE 9 HB ILE 9 -5.321 0.163 2.538 68 1HG1 ILE 9 2HG1 ILE 9 -4.511 0.627 5.421 69 2HG1 ILE 9 3HG1 ILE 9 -4.122 -0.763 4.428 70 1HG2 ILE 9 1HG2 ILE 9 -6.547 2.261 2.601 71 2HG2 ILE 9 2HG2 ILE 9 -5.970 2.575 4.255 72 3HG2 ILE 9 3HG2 ILE 9 -4.815 2.543 2.900 73 1HD1 ILE 9 1HD1 ILE 9 -3.185 2.108 4.005 74 2HD1 ILE 9 2HD1 ILE 9 -2.187 0.697 4.432 75 3HD1 ILE 9 3HD1 ILE 9 -2.929 0.807 2.818 76 H PHE 10 HN PHE 10 -8.058 0.218 1.845 77 HA PHE 10 HA PHE 10 -9.480 2.506 2.260 78 1HB PHE 10 2HB PHE 10 -9.333 1.374 0.087 79 2HB PHE 10 3HB PHE 10 -10.005 -0.106 0.742 80 HD1 PHE 10 HD1 PHE 10 -10.736 3.053 -0.806 81 HD2 PHE 10 HD2 PHE 10 -12.443 -0.151 1.391 82 HE1 PHE 10 HE1 PHE 10 -13.025 3.761 -1.552 83 HE2 PHE 10 HE2 PHE 10 -14.732 0.557 0.645 84 HZ PHE 10 HZ PHE 10 -14.996 2.504 -0.818 85 H GLU 11 HN GLU 11 -10.637 -0.901 2.802 86 HA GLU 11 HA GLU 11 -13.108 -0.129 3.775 87 1HB GLU 11 2HB GLU 11 -11.588 -2.575 3.441 88 2HB GLU 11 3HB GLU 11 -12.361 -2.597 5.014 89 1HG GLU 11 2HG GLU 11 -14.467 -1.697 3.585 90 2HG GLU 11 3HG GLU 11 -13.620 -2.501 2.278 91 H LYS 12 HN LYS 12 -9.948 -0.711 5.397 92 HA LYS 12 HA LYS 12 -10.894 -0.594 8.019 93 1HB LYS 12 2HB LYS 12 -8.663 -1.444 7.233 94 2HB LYS 12 3HB LYS 12 -8.158 0.217 6.998 95 1HG LYS 12 2HG LYS 12 -9.005 0.516 9.512 96 2HG LYS 12 3HG LYS 12 -8.793 -1.222 9.582 97 1HD LYS 12 2HD LYS 12 -6.442 -1.059 9.025 98 2HD LYS 12 3HD LYS 12 -6.595 0.623 8.559 99 1HE LYS 12 2HE LYS 12 -7.533 0.200 11.312 100 2HE LYS 12 3HE LYS 12 -5.886 -0.364 11.113 101 1HZ LYS 12 1HZ LYS 12 -6.478 2.141 11.556 102 2HZ LYS 12 2HZ LYS 12 -5.160 1.703 10.697 103 3HZ LYS 12 3HZ LYS 12 -6.514 2.187 9.924 104 H TYR 13 HN TYR 13 -10.561 1.843 5.548 105 HA TYR 13 HA TYR 13 -10.570 3.985 7.529 106 1HB TYR 13 2HB TYR 13 -9.945 3.490 4.638 107 2HB TYR 13 3HB TYR 13 -10.797 4.999 4.898 108 HD1 TYR 13 HD1 TYR 13 -7.626 3.309 5.080 109 HD2 TYR 13 HD2 TYR 13 -9.799 6.693 6.540 110 HE1 TYR 13 HE1 TYR 13 -5.444 4.435 5.737 111 HE2 TYR 13 HE2 TYR 13 -7.609 7.808 7.192 112 HH TYR 13 HH TYR 13 -4.549 6.080 6.899 113 H ALA 14 HN ALA 14 -12.549 2.620 4.824 114 HA ALA 14 HA ALA 14 -14.612 4.525 5.087 115 1HB ALA 14 1HB ALA 14 -14.521 3.440 3.019 116 2HB ALA 14 2HB ALA 14 -14.258 1.840 3.755 117 3HB ALA 14 3HB ALA 14 -15.868 2.597 3.821 118 H ALA 15 HN ALA 15 -13.538 2.060 7.167 119 HA ALA 15 HA ALA 15 -16.165 1.331 8.124 120 1HB ALA 15 1HB ALA 15 -14.222 -0.263 7.984 121 2HB ALA 15 2HB ALA 15 -13.410 0.691 9.248 122 3HB ALA 15 3HB ALA 15 -14.940 -0.144 9.608 123 H LYS 16 HN LYS 16 -13.763 3.806 8.625 124 HA LYS 16 HA LYS 16 -14.067 4.350 11.310 125 1HB LYS 16 2HB LYS 16 -13.190 5.820 8.892 126 2HB LYS 16 3HB LYS 16 -13.706 6.825 10.231 127 1HG LYS 16 2HG LYS 16 -11.485 6.515 10.834 128 2HG LYS 16 3HG LYS 16 -12.194 5.145 11.665 129 1HD LYS 16 2HD LYS 16 -11.758 3.911 9.325 130 2HD LYS 16 3HD LYS 16 -10.575 5.186 9.114 131 1HE LYS 16 2HE LYS 16 -10.117 4.338 11.748 132 2HE LYS 16 3HE LYS 16 -10.504 2.844 10.917 133 1HZ LYS 16 1HZ LYS 16 -8.204 4.471 10.673 134 2HZ LYS 16 2HZ LYS 16 -8.429 2.921 10.210 135 3HZ LYS 16 3HZ LYS 16 -8.855 4.141 9.212 136 H GLU 17 HN GLU 17 -15.770 6.098 8.612 137 HA GLU 17 HA GLU 17 -18.016 6.319 10.462 138 1HB GLU 17 2HB GLU 17 -16.809 8.360 8.576 139 2HB GLU 17 3HB GLU 17 -18.495 8.482 9.036 140 1HG GLU 17 2HG GLU 17 -17.155 8.002 11.474 141 2HG GLU 17 3HG GLU 17 -16.088 9.092 10.611 142 H GLY 18 HN GLY 18 -19.993 5.601 9.712 143 1HA GLY 18 1HA GLY 18 -21.570 4.850 8.287 144 2HA GLY 18 2HA GLY 18 -20.699 5.592 6.960 145 H ASP 19 HN ASP 19 -21.755 3.315 6.183 146 HA ASP 19 HA ASP 19 -20.607 0.956 6.873 147 1HB ASP 19 2HB ASP 19 -22.509 1.641 5.129 148 2HB ASP 19 3HB ASP 19 -21.199 1.566 3.967 149 HA PRO 20 HA PRO 20 -16.572 1.295 5.174 150 1HB PRO 20 2HB PRO 20 -15.829 -1.334 5.112 151 2HB PRO 20 3HB PRO 20 -15.763 -0.353 6.563 152 1HG PRO 20 2HG PRO 20 -17.712 -2.452 5.833 153 2HG PRO 20 3HG PRO 20 -17.370 -1.773 7.411 154 1HD PRO 20 2HD PRO 20 -19.628 -1.185 5.743 155 2HD PRO 20 3HD PRO 20 -19.225 -0.422 7.268 156 H ASN 21 HN ASN 21 -19.155 0.186 3.513 157 HA ASN 21 HA ASN 21 -17.600 -0.624 1.234 158 1HB ASN 21 2HB ASN 21 -20.568 -0.528 1.901 159 2HB ASN 21 3HB ASN 21 -20.060 -0.736 0.237 160 1HD2 ASN 21 1HD2 ASN 21 -21.049 -2.338 2.858 161 2HD2 ASN 21 2HD2 ASN 21 -20.281 -3.877 2.658 162 H GLN 22 HN GLN 22 -19.739 2.015 2.431 163 HA GLN 22 HA GLN 22 -19.205 3.465 -0.037 164 1HB GLN 22 2HB GLN 22 -21.123 4.972 1.103 165 2HB GLN 22 3HB GLN 22 -21.498 3.581 0.105 166 1HG GLN 22 2HG GLN 22 -21.788 2.153 2.057 167 2HG GLN 22 3HG GLN 22 -21.137 3.379 3.127 168 1HE2 GLN 22 1HE2 GLN 22 -22.940 3.468 4.403 169 2HE2 GLN 22 2HE2 GLN 22 -24.442 4.176 3.910 170 H LEU 23 HN LEU 23 -17.732 5.107 0.038 171 HA LEU 23 HA LEU 23 -16.771 5.922 2.645 172 1HB LEU 23 2HB LEU 23 -15.678 5.605 0.036 173 2HB LEU 23 3HB LEU 23 -15.497 7.288 0.490 174 HG LEU 23 HG LEU 23 -14.731 5.662 2.727 175 1HD1 LEU 23 1HD1 LEU 23 -13.302 4.939 0.154 176 2HD1 LEU 23 2HD1 LEU 23 -12.855 4.426 1.799 177 3HD1 LEU 23 3HD1 LEU 23 -14.385 3.870 1.078 178 1HD2 LEU 23 1HD2 LEU 23 -13.280 7.559 0.874 179 2HD2 LEU 23 2HD2 LEU 23 -13.921 7.875 2.504 180 3HD2 LEU 23 3HD2 LEU 23 -12.516 6.803 2.293 181 H SER 24 HN SER 24 -16.214 8.413 2.793 182 HA SER 24 HA SER 24 -18.336 9.959 1.588 183 1HB SER 24 2HB SER 24 -17.948 9.519 4.557 184 2HB SER 24 3HB SER 24 -18.596 11.045 3.989 185 HG SER 24 HG SER 24 -19.804 8.794 2.819 186 H LYS 25 HN LYS 25 -17.963 12.421 2.205 187 HA LYS 25 HA LYS 25 -15.426 13.122 1.346 188 1HB LYS 25 2HB LYS 25 -17.528 14.485 1.196 189 2HB LYS 25 3HB LYS 25 -17.375 14.842 2.905 190 1HG LYS 25 2HG LYS 25 -14.934 15.625 2.291 191 2HG LYS 25 3HG LYS 25 -15.525 15.661 0.641 192 1HD LYS 25 2HD LYS 25 -17.200 17.010 2.754 193 2HD LYS 25 3HD LYS 25 -15.713 17.801 2.270 194 1HE LYS 25 2HE LYS 25 -16.752 18.595 0.418 195 2HE LYS 25 3HE LYS 25 -16.974 16.952 -0.152 196 1HZ LYS 25 1HZ LYS 25 -19.081 16.914 0.583 197 2HZ LYS 25 2HZ LYS 25 -18.805 17.862 1.884 198 3HZ LYS 25 3HZ LYS 25 -18.975 18.533 0.405 199 H GLU 26 HN GLU 26 -16.839 13.335 4.689 200 HA GLU 26 HA GLU 26 -14.523 14.187 5.885 201 1HB GLU 26 2HB GLU 26 -17.138 13.373 6.684 202 2HB GLU 26 3HB GLU 26 -16.021 12.449 7.667 203 1HG GLU 26 2HG GLU 26 -14.913 15.046 7.633 204 2HG GLU 26 3HG GLU 26 -16.640 15.322 7.757 205 H GLU 27 HN GLU 27 -15.736 10.851 5.234 206 HA GLU 27 HA GLU 27 -13.759 9.541 6.657 207 1HB GLU 27 2HB GLU 27 -15.775 8.849 4.583 208 2HB GLU 27 3HB GLU 27 -14.393 7.773 4.636 209 1HG GLU 27 2HG GLU 27 -14.908 7.989 7.317 210 2HG GLU 27 3HG GLU 27 -16.526 8.233 6.689 211 H LEU 28 HN LEU 28 -14.004 10.204 3.085 212 HA LEU 28 HA LEU 28 -11.559 9.161 2.382 213 1HB LEU 28 2HB LEU 28 -13.547 10.057 0.988 214 2HB LEU 28 3HB LEU 28 -12.726 11.602 1.080 215 HG LEU 28 HG LEU 28 -11.109 11.004 -0.384 216 1HD1 LEU 28 1HD1 LEU 28 -11.283 8.157 0.638 217 2HD1 LEU 28 2HD1 LEU 28 -10.160 8.729 -0.619 218 3HD1 LEU 28 3HD1 LEU 28 -10.043 9.370 1.038 219 1HD2 LEU 28 1HD2 LEU 28 -13.199 10.621 -1.573 220 2HD2 LEU 28 2HD2 LEU 28 -11.934 9.507 -2.146 221 3HD2 LEU 28 3HD2 LEU 28 -13.207 8.920 -1.048 222 H LYS 29 HN LYS 29 -12.407 12.453 3.594 223 HA LYS 29 HA LYS 29 -10.086 13.766 3.220 224 1HB LYS 29 2HB LYS 29 -12.092 14.745 4.216 225 2HB LYS 29 3HB LYS 29 -11.859 13.811 5.680 226 1HG LYS 29 2HG LYS 29 -9.783 14.973 6.195 227 2HG LYS 29 3HG LYS 29 -9.742 15.731 4.615 228 1HD LYS 29 2HD LYS 29 -10.956 17.472 5.403 229 2HD LYS 29 3HD LYS 29 -12.280 16.390 5.785 230 1HE LYS 29 2HE LYS 29 -11.302 15.899 8.000 231 2HE LYS 29 3HE LYS 29 -9.880 16.851 7.620 232 1HZ LYS 29 1HZ LYS 29 -12.398 17.726 8.524 233 2HZ LYS 29 2HZ LYS 29 -10.990 18.549 8.443 234 3HZ LYS 29 3HZ LYS 29 -11.987 18.507 7.150 235 H LEU 30 HN LEU 30 -10.822 11.619 6.059 236 HA LEU 30 HA LEU 30 -8.360 11.822 7.265 237 1HB LEU 30 2HB LEU 30 -10.229 9.449 7.171 238 2HB LEU 30 3HB LEU 30 -8.926 9.675 8.321 239 HG LEU 30 HG LEU 30 -11.540 11.148 8.111 240 1HD1 LEU 30 1HD1 LEU 30 -12.074 9.959 9.905 241 2HD1 LEU 30 2HD1 LEU 30 -10.532 9.084 9.744 242 3HD1 LEU 30 3HD1 LEU 30 -10.629 10.535 10.771 243 1HD2 LEU 30 1HD2 LEU 30 -8.951 12.207 9.162 244 2HD2 LEU 30 2HD2 LEU 30 -10.293 13.048 8.349 245 3HD2 LEU 30 3HD2 LEU 30 -10.447 12.569 10.056 246 H LEU 31 HN LEU 31 -9.477 9.291 4.905 247 HA LEU 31 HA LEU 31 -7.111 7.929 4.711 248 1HB LEU 31 2HB LEU 31 -9.449 7.485 3.725 249 2HB LEU 31 3HB LEU 31 -8.907 8.431 2.353 250 HG LEU 31 HG LEU 31 -7.027 6.306 3.144 251 1HD1 LEU 31 1HD1 LEU 31 -8.294 4.467 2.990 252 2HD1 LEU 31 2HD1 LEU 31 -9.651 5.554 3.372 253 3HD1 LEU 31 3HD1 LEU 31 -9.291 5.141 1.678 254 1HD2 LEU 31 1HD2 LEU 31 -7.076 7.821 1.045 255 2HD2 LEU 31 2HD2 LEU 31 -6.679 6.096 0.859 256 3HD2 LEU 31 3HD2 LEU 31 -8.308 6.684 0.449 257 H LEU 32 HN LEU 32 -8.230 10.495 2.384 258 HA LEU 32 HA LEU 32 -5.872 10.740 1.026 259 1HB LEU 32 2HB LEU 32 -7.850 12.925 1.688 260 2HB LEU 32 3HB LEU 32 -6.666 12.964 0.397 261 HG LEU 32 HG LEU 32 -8.931 10.960 0.589 262 1HD1 LEU 32 1HD1 LEU 32 -9.930 13.090 0.252 263 2HD1 LEU 32 2HD1 LEU 32 -8.703 13.553 -0.952 264 3HD1 LEU 32 3HD1 LEU 32 -9.887 12.280 -1.333 265 1HD2 LEU 32 1HD2 LEU 32 -7.459 9.855 -0.751 266 2HD2 LEU 32 2HD2 LEU 32 -8.247 10.875 -1.979 267 3HD2 LEU 32 3HD2 LEU 32 -6.666 11.347 -1.311 268 H GLN 33 HN GLN 33 -6.592 11.593 4.329 269 HA GLN 33 HA GLN 33 -4.666 13.618 4.574 270 1HB GLN 33 2HB GLN 33 -6.704 12.641 6.150 271 2HB GLN 33 3HB GLN 33 -5.305 12.001 6.990 272 1HG GLN 33 2HG GLN 33 -4.307 14.377 6.885 273 2HG GLN 33 3HG GLN 33 -5.876 14.923 6.326 274 1HE2 GLN 33 1HE2 GLN 33 -7.553 15.122 7.701 275 2HE2 GLN 33 2HE2 GLN 33 -7.474 14.863 9.412 276 H THR 34 HN THR 34 -4.683 10.065 5.283 277 HA THR 34 HA THR 34 -1.785 10.217 5.724 278 HB THR 34 HB THR 34 -4.062 8.583 6.743 279 HG1 THR 34 HG1 THR 34 -1.300 9.259 7.481 280 1HG2 THR 34 1HG2 THR 34 -1.387 7.367 5.925 281 2HG2 THR 34 2HG2 THR 34 -2.293 6.748 7.327 282 3HG2 THR 34 3HG2 THR 34 -3.017 6.687 5.702 283 H GLU 35 HN GLU 35 -4.266 8.262 3.943 284 HA GLU 35 HA GLU 35 -2.595 6.692 2.549 285 1HB GLU 35 2HB GLU 35 -5.011 6.457 2.405 286 2HB GLU 35 3HB GLU 35 -5.180 8.029 1.649 287 1HG GLU 35 2HG GLU 35 -5.090 6.932 -0.342 288 2HG GLU 35 3HG GLU 35 -3.372 6.753 -0.048 289 H PHE 36 HN PHE 36 -3.790 9.957 1.467 290 HA PHE 36 HA PHE 36 -1.237 10.397 0.188 291 1HB PHE 36 2HB PHE 36 -3.975 10.297 -1.209 292 2HB PHE 36 3HB PHE 36 -2.573 11.043 -1.950 293 HD1 PHE 36 HD1 PHE 36 -4.469 8.253 -2.128 294 HD2 PHE 36 HD2 PHE 36 -0.389 9.311 -1.633 295 HE1 PHE 36 HE1 PHE 36 -3.779 6.028 -3.061 296 HE2 PHE 36 HE2 PHE 36 0.301 7.086 -2.566 297 HZ PHE 36 HZ PHE 36 -1.402 5.471 -3.269 298 HA PRO 37 HA PRO 37 -2.916 14.131 2.002 299 1HB PRO 37 2HB PRO 37 -0.578 15.035 3.092 300 2HB PRO 37 3HB PRO 37 -1.717 14.029 3.966 301 1HG PRO 37 2HG PRO 37 0.886 13.281 2.780 302 2HG PRO 37 3HG PRO 37 -0.051 12.434 3.995 303 1HD PRO 37 2HD PRO 37 0.173 11.753 1.218 304 2HD PRO 37 3HD PRO 37 -0.853 10.977 2.408 305 H SER 38 HN SER 38 -0.083 13.659 0.042 306 HA SER 38 HA SER 38 0.304 16.279 -0.665 307 1HB SER 38 2HB SER 38 1.464 13.861 -1.293 308 2HB SER 38 3HB SER 38 0.708 14.264 -2.822 309 HG SER 38 HG SER 38 2.815 15.584 -1.433 310 H LEU 39 HN LEU 39 -2.170 13.943 -1.630 311 HA LEU 39 HA LEU 39 -2.936 15.236 -4.025 312 1HB LEU 39 2HB LEU 39 -3.598 12.897 -2.569 313 2HB LEU 39 3HB LEU 39 -5.087 13.789 -2.807 314 HG LEU 39 HG LEU 39 -3.172 12.956 -5.004 315 1HD1 LEU 39 1HD1 LEU 39 -5.907 11.845 -4.925 316 2HD1 LEU 39 2HD1 LEU 39 -4.356 11.073 -5.335 317 3HD1 LEU 39 3HD1 LEU 39 -4.817 11.292 -3.630 318 1HD2 LEU 39 1HD2 LEU 39 -5.602 14.678 -4.969 319 2HD2 LEU 39 2HD2 LEU 39 -4.143 14.762 -5.985 320 3HD2 LEU 39 3HD2 LEU 39 -5.402 13.553 -6.334 321 H LEU 40 HN LEU 40 -3.361 15.931 -0.635 322 HA LEU 40 HA LEU 40 -5.781 17.407 -0.950 323 1HB LEU 40 2HB LEU 40 -3.742 17.343 1.279 324 2HB LEU 40 3HB LEU 40 -5.298 18.145 1.356 325 HG LEU 40 HG LEU 40 -4.931 15.168 0.926 326 1HD1 LEU 40 1HD1 LEU 40 -5.477 16.740 3.453 327 2HD1 LEU 40 2HD1 LEU 40 -5.746 14.988 3.295 328 3HD1 LEU 40 3HD1 LEU 40 -4.107 15.657 3.108 329 1HD2 LEU 40 1HD2 LEU 40 -7.488 16.024 1.991 330 2HD2 LEU 40 2HD2 LEU 40 -7.145 16.794 0.424 331 3HD2 LEU 40 3HD2 LEU 40 -7.119 15.020 0.569 332 H LYS 41 HN LYS 41 -2.320 18.004 -1.338 333 HA LYS 41 HA LYS 41 -2.506 20.827 -1.137 334 1HB LYS 41 2HB LYS 41 -0.406 18.964 -2.272 335 2HB LYS 41 3HB LYS 41 -0.219 20.705 -2.219 336 1HG LYS 41 2HG LYS 41 -1.052 20.115 0.381 337 2HG LYS 41 3HG LYS 41 -0.057 18.728 -0.019 338 1HD LYS 41 2HD LYS 41 1.890 20.003 -0.253 339 2HD LYS 41 3HD LYS 41 1.022 21.447 -0.734 340 1HE LYS 41 2HE LYS 41 0.889 20.296 2.091 341 2HE LYS 41 3HE LYS 41 2.058 21.510 1.611 342 1HZ LYS 41 1HZ LYS 41 -0.322 22.101 2.535 343 2HZ LYS 41 2HZ LYS 41 0.478 23.075 1.497 344 3HZ LYS 41 3HZ LYS 41 -0.687 22.072 0.944 345 H GLY 42 HN GLY 42 -2.819 18.409 -3.760 346 1HA GLY 42 1HA GLY 42 -2.589 19.814 -6.033 347 2HA GLY 42 2HA GLY 42 -3.858 18.636 -5.762 348 H MET 43 HN MET 43 -4.258 20.839 -7.481 349 HA MET 43 HA MET 43 -5.454 22.978 -6.103 350 1HB MET 43 2HB MET 43 -5.737 21.998 -8.999 351 2HB MET 43 3HB MET 43 -6.277 23.567 -8.434 352 1HG MET 43 2HG MET 43 -3.547 23.263 -7.578 353 2HG MET 43 3HG MET 43 -3.614 22.765 -9.256 354 1HE MET 43 1HE MET 43 -4.083 26.932 -7.537 355 2HE MET 43 2HE MET 43 -4.587 25.457 -6.677 356 3HE MET 43 3HE MET 43 -2.882 25.680 -7.137 357 H SER 44 HN SER 44 -6.427 19.786 -6.382 358 HA SER 44 HA SER 44 -9.218 20.411 -6.745 359 1HB SER 44 2HB SER 44 -7.646 17.823 -6.492 360 2HB SER 44 3HB SER 44 -9.397 17.831 -6.420 361 HG SER 44 HG SER 44 -9.433 17.950 -8.549 362 H THR 45 HN THR 45 -9.997 21.421 -4.880 363 HA THR 45 HA THR 45 -9.114 20.768 -2.285 364 HB THR 45 HB THR 45 -11.082 22.212 -1.655 365 HG1 THR 45 HG1 THR 45 -12.678 21.869 -3.173 366 1HG2 THR 45 1HG2 THR 45 -10.495 24.229 -2.976 367 2HG2 THR 45 2HG2 THR 45 -9.009 23.364 -2.514 368 3HG2 THR 45 3HG2 THR 45 -9.646 23.216 -4.169 369 H LEU 46 HN LEU 46 -10.750 20.078 -0.514 370 HA LEU 46 HA LEU 46 -11.280 17.412 -0.867 371 1HB LEU 46 2HB LEU 46 -11.203 19.031 1.223 372 2HB LEU 46 3HB LEU 46 -12.943 19.024 1.015 373 HG LEU 46 HG LEU 46 -13.104 16.696 1.424 374 1HD1 LEU 46 1HD1 LEU 46 -10.778 15.487 1.934 375 2HD1 LEU 46 2HD1 LEU 46 -11.507 15.530 0.311 376 3HD1 LEU 46 3HD1 LEU 46 -10.209 16.672 0.734 377 1HD2 LEU 46 1HD2 LEU 46 -11.571 18.366 3.286 378 2HD2 LEU 46 2HD2 LEU 46 -13.004 17.347 3.560 379 3HD2 LEU 46 3HD2 LEU 46 -11.381 16.618 3.560 380 H ASP 47 HN ASP 47 -13.786 20.049 -0.737 381 HA ASP 47 HA ASP 47 -15.919 18.618 -1.412 382 1HB ASP 47 2HB ASP 47 -15.310 21.306 -2.716 383 2HB ASP 47 3HB ASP 47 -16.891 20.665 -2.313 384 H GLU 48 HN GLU 48 -13.594 20.224 -3.716 385 HA GLU 48 HA GLU 48 -14.797 19.437 -6.038 386 1HB GLU 48 2HB GLU 48 -12.247 20.557 -5.208 387 2HB GLU 48 3HB GLU 48 -11.979 19.388 -6.486 388 1HG GLU 48 2HG GLU 48 -14.107 20.649 -7.576 389 2HG GLU 48 3HG GLU 48 -13.542 21.961 -6.560 390 H LEU 49 HN LEU 49 -12.346 17.721 -4.011 391 HA LEU 49 HA LEU 49 -11.978 15.573 -5.766 392 1HB LEU 49 2HB LEU 49 -10.842 16.459 -3.455 393 2HB LEU 49 3HB LEU 49 -11.721 15.057 -2.876 394 HG LEU 49 HG LEU 49 -10.278 14.410 -5.307 395 1HD1 LEU 49 1HD1 LEU 49 -8.611 15.958 -4.916 396 2HD1 LEU 49 2HD1 LEU 49 -8.769 15.847 -3.146 397 3HD1 LEU 49 3HD1 LEU 49 -7.994 14.527 -4.056 398 1HD2 LEU 49 1HD2 LEU 49 -9.202 13.007 -3.132 399 2HD2 LEU 49 2HD2 LEU 49 -10.913 13.280 -2.723 400 3HD2 LEU 49 3HD2 LEU 49 -10.480 12.470 -4.248 401 H PHE 50 HN PHE 50 -14.242 16.105 -2.999 402 HA PHE 50 HA PHE 50 -15.358 13.585 -2.966 403 1HB PHE 50 2HB PHE 50 -15.659 15.570 -1.362 404 2HB PHE 50 3HB PHE 50 -16.668 16.342 -2.569 405 HD1 PHE 50 HD1 PHE 50 -18.921 16.229 -2.149 406 HD2 PHE 50 HD2 PHE 50 -16.478 12.973 -0.950 407 HE1 PHE 50 HE1 PHE 50 -20.936 15.062 -1.212 408 HE2 PHE 50 HE2 PHE 50 -18.493 11.806 -0.013 409 HZ PHE 50 HZ PHE 50 -20.698 12.864 -0.155 410 H GLU 51 HN GLU 51 -16.455 16.543 -4.772 411 HA GLU 51 HA GLU 51 -18.600 15.248 -5.972 412 1HB GLU 51 2HB GLU 51 -17.523 17.856 -5.899 413 2HB GLU 51 3HB GLU 51 -17.484 17.419 -7.595 414 1HG GLU 51 2HG GLU 51 -19.998 16.488 -6.709 415 2HG GLU 51 3HG GLU 51 -19.797 18.020 -5.880 416 H GLU 52 HN GLU 52 -15.164 15.698 -6.927 417 HA GLU 52 HA GLU 52 -15.466 14.779 -9.530 418 1HB GLU 52 2HB GLU 52 -13.487 16.039 -8.618 419 2HB GLU 52 3HB GLU 52 -13.005 14.604 -7.735 420 1HG GLU 52 2HG GLU 52 -12.846 13.338 -9.896 421 2HG GLU 52 3HG GLU 52 -13.301 14.786 -10.771 422 H LEU 53 HN LEU 53 -14.349 13.078 -6.515 423 HA LEU 53 HA LEU 53 -13.957 10.596 -7.613 424 1HB LEU 53 2HB LEU 53 -15.002 11.282 -4.862 425 2HB LEU 53 3HB LEU 53 -14.309 9.745 -5.338 426 HG LEU 53 HG LEU 53 -12.648 12.195 -5.747 427 1HD1 LEU 53 1HD1 LEU 53 -12.073 11.235 -3.138 428 2HD1 LEU 53 2HD1 LEU 53 -12.641 12.848 -3.630 429 3HD1 LEU 53 3HD1 LEU 53 -13.818 11.581 -3.212 430 1HD2 LEU 53 1HD2 LEU 53 -10.993 10.373 -4.712 431 2HD2 LEU 53 2HD2 LEU 53 -12.247 9.274 -5.335 432 3HD2 LEU 53 3HD2 LEU 53 -11.430 10.408 -6.437 433 H ASP 54 HN ASP 54 -16.986 11.824 -6.017 434 HA ASP 54 HA ASP 54 -18.456 9.577 -6.691 435 1HB ASP 54 2HB ASP 54 -19.146 11.187 -4.950 436 2HB ASP 54 3HB ASP 54 -19.319 12.455 -6.147 437 H LYS 55 HN LYS 55 -20.535 9.783 -8.189 438 HA LYS 55 HA LYS 55 -20.600 11.653 -10.253 439 1HB LYS 55 2HB LYS 55 -18.453 10.533 -10.889 440 2HB LYS 55 3HB LYS 55 -19.332 9.031 -11.097 441 1HG LYS 55 2HG LYS 55 -20.483 11.413 -12.501 442 2HG LYS 55 3HG LYS 55 -18.939 10.848 -13.107 443 1HD LYS 55 2HD LYS 55 -20.073 9.261 -14.268 444 2HD LYS 55 3HD LYS 55 -20.409 8.476 -12.738 445 1HE LYS 55 2HE LYS 55 -22.604 9.119 -12.753 446 2HE LYS 55 3HE LYS 55 -22.217 10.757 -13.242 447 1HZ LYS 55 1HZ LYS 55 -21.655 9.278 -15.428 448 2HZ LYS 55 2HZ LYS 55 -22.998 8.556 -14.843 449 3HZ LYS 55 3HZ LYS 55 -23.016 10.151 -15.195 450 H ASN 56 HN ASN 56 -21.192 8.292 -9.137 451 HA ASN 56 HA ASN 56 -23.345 7.781 -10.774 452 1HB ASN 56 2HB ASN 56 -24.019 6.200 -8.803 453 2HB ASN 56 3HB ASN 56 -22.459 5.928 -9.554 454 1HD2 ASN 56 1HD2 ASN 56 -21.168 5.250 -8.010 455 2HD2 ASN 56 2HD2 ASN 56 -20.875 6.018 -6.486 456 H GLY 57 HN GLY 57 -22.928 10.052 -8.204 457 1HA GLY 57 1HA GLY 57 -24.333 11.525 -7.242 458 2HA GLY 57 2HA GLY 57 -25.579 11.024 -8.368 459 H ASP 58 HN ASP 58 -23.790 9.696 -5.488 460 HA ASP 58 HA ASP 58 -26.395 8.871 -4.487 461 1HB ASP 58 2HB ASP 58 -23.865 7.251 -4.025 462 2HB ASP 58 3HB ASP 58 -25.523 6.753 -3.752 463 H GLY 59 HN GLY 59 -22.842 9.213 -3.737 464 1HA GLY 59 1HA GLY 59 -22.361 11.033 -2.109 465 2HA GLY 59 2HA GLY 59 -23.585 10.304 -1.088 466 H GLU 60 HN GLU 60 -22.163 7.751 -2.750 467 HA GLU 60 HA GLU 60 -20.336 7.324 -0.521 468 1HB GLU 60 2HB GLU 60 -20.591 4.871 -1.115 469 2HB GLU 60 3HB GLU 60 -22.054 5.639 -0.532 470 1HG GLU 60 2HG GLU 60 -22.866 5.936 -2.854 471 2HG GLU 60 3HG GLU 60 -21.371 5.275 -3.488 472 H VAL 61 HN VAL 61 -18.164 7.261 -0.942 473 HA VAL 61 HA VAL 61 -17.389 7.230 -3.761 474 HB VAL 61 HB VAL 61 -16.009 8.146 -1.235 475 1HG1 VAL 61 1HG1 VAL 61 -14.900 7.449 -3.876 476 2HG1 VAL 61 2HG1 VAL 61 -14.452 9.070 -3.294 477 3HG1 VAL 61 3HG1 VAL 61 -14.091 7.637 -2.302 478 1HG2 VAL 61 1HG2 VAL 61 -16.435 10.310 -1.894 479 2HG2 VAL 61 2HG2 VAL 61 -16.538 9.884 -3.619 480 3HG2 VAL 61 3HG2 VAL 61 -17.886 9.494 -2.525 481 H SER 62 HN SER 62 -18.132 4.777 -3.341 482 HA SER 62 HA SER 62 -16.584 3.099 -1.864 483 1HB SER 62 2HB SER 62 -17.308 1.888 -4.427 484 2HB SER 62 3HB SER 62 -17.904 1.522 -2.820 485 HG SER 62 HG SER 62 -18.967 3.252 -4.797 486 H PHE 63 HN PHE 63 -15.019 1.350 -2.834 487 HA PHE 63 HA PHE 63 -12.697 2.530 -3.608 488 1HB PHE 63 2HB PHE 63 -13.225 0.134 -2.779 489 2HB PHE 63 3HB PHE 63 -13.756 -0.247 -4.405 490 HD1 PHE 63 HD1 PHE 63 -12.241 -1.547 -5.536 491 HD2 PHE 63 HD2 PHE 63 -10.771 1.484 -2.956 492 HE1 PHE 63 HE1 PHE 63 -9.888 -2.155 -6.162 493 HE2 PHE 63 HE2 PHE 63 -8.418 0.876 -3.582 494 HZ PHE 63 HZ PHE 63 -8.004 -0.937 -5.178 495 H GLU 64 HN GLU 64 -15.445 1.496 -5.632 496 HA GLU 64 HA GLU 64 -14.233 1.305 -8.048 497 1HB GLU 64 2HB GLU 64 -16.554 2.327 -8.859 498 2HB GLU 64 3HB GLU 64 -16.479 0.739 -8.123 499 1HG GLU 64 2HG GLU 64 -17.695 1.408 -6.317 500 2HG GLU 64 3HG GLU 64 -16.700 2.830 -6.076 501 H GLU 65 HN GLU 65 -15.671 4.300 -6.563 502 HA GLU 65 HA GLU 65 -14.801 5.945 -8.642 503 1HB GLU 65 2HB GLU 65 -15.483 6.683 -5.761 504 2HB GLU 65 3HB GLU 65 -15.402 7.803 -7.106 505 1HG GLU 65 2HG GLU 65 -17.164 5.420 -7.523 506 2HG GLU 65 3HG GLU 65 -17.706 6.553 -6.301 507 H PHE 66 HN PHE 66 -13.314 4.792 -5.615 508 HA PHE 66 HA PHE 66 -11.293 6.672 -5.384 509 1HB PHE 66 2HB PHE 66 -12.094 4.709 -3.846 510 2HB PHE 66 3HB PHE 66 -11.147 3.646 -4.868 511 HD1 PHE 66 HD1 PHE 66 -9.101 3.054 -4.015 512 HD2 PHE 66 HD2 PHE 66 -10.623 6.912 -3.116 513 HE1 PHE 66 HE1 PHE 66 -7.064 3.535 -2.629 514 HE2 PHE 66 HE2 PHE 66 -8.587 7.392 -1.729 515 HZ PHE 66 HZ PHE 66 -6.832 5.698 -1.502 516 H GLN 67 HN GLN 67 -11.638 3.823 -7.510 517 HA GLN 67 HA GLN 67 -8.976 3.563 -8.192 518 1HB GLN 67 2HB GLN 67 -11.312 3.034 -10.068 519 2HB GLN 67 3HB GLN 67 -9.760 2.221 -10.041 520 1HG GLN 67 2HG GLN 67 -10.548 1.731 -7.475 521 2HG GLN 67 3HG GLN 67 -12.125 1.868 -8.228 522 1HE2 GLN 67 1HE2 GLN 67 -8.922 0.469 -8.934 523 2HE2 GLN 67 2HE2 GLN 67 -9.476 -1.064 -9.519 524 H VAL 68 HN VAL 68 -11.307 6.037 -8.958 525 HA VAL 68 HA VAL 68 -10.107 6.848 -11.416 526 HB VAL 68 HB VAL 68 -12.014 8.243 -9.527 527 1HG1 VAL 68 1HG1 VAL 68 -11.509 10.050 -10.775 528 2HG1 VAL 68 2HG1 VAL 68 -10.731 9.078 -12.048 529 3HG1 VAL 68 3HG1 VAL 68 -12.501 9.262 -12.025 530 1HG2 VAL 68 1HG2 VAL 68 -12.658 5.982 -10.645 531 2HG2 VAL 68 2HG2 VAL 68 -13.793 7.350 -10.738 532 3HG2 VAL 68 3HG2 VAL 68 -12.772 6.945 -12.138 533 H LEU 69 HN LEU 69 -9.740 7.597 -7.942 534 HA LEU 69 HA LEU 69 -8.067 9.864 -8.453 535 1HB LEU 69 2HB LEU 69 -9.621 9.397 -6.453 536 2HB LEU 69 3HB LEU 69 -8.327 8.379 -5.851 537 HG LEU 69 HG LEU 69 -6.795 10.385 -6.001 538 1HD1 LEU 69 1HD1 LEU 69 -7.605 12.029 -7.312 539 2HD1 LEU 69 2HD1 LEU 69 -9.303 11.602 -6.993 540 3HD1 LEU 69 3HD1 LEU 69 -8.389 12.561 -5.804 541 1HD2 LEU 69 1HD2 LEU 69 -8.827 11.303 -4.107 542 2HD2 LEU 69 2HD2 LEU 69 -8.508 9.555 -4.006 543 3HD2 LEU 69 3HD2 LEU 69 -7.170 10.715 -3.826 544 H VAL 70 HN VAL 70 -7.704 6.369 -8.093 545 HA VAL 70 HA VAL 70 -5.105 6.170 -7.262 546 HB VAL 70 HB VAL 70 -6.935 4.570 -8.985 547 1HG1 VAL 70 1HG1 VAL 70 -3.967 4.354 -9.018 548 2HG1 VAL 70 2HG1 VAL 70 -4.879 2.834 -8.848 549 3HG1 VAL 70 3HG1 VAL 70 -5.169 3.894 -10.249 550 1HG2 VAL 70 1HG2 VAL 70 -7.356 3.902 -6.870 551 2HG2 VAL 70 2HG2 VAL 70 -5.894 2.909 -7.084 552 3HG2 VAL 70 3HG2 VAL 70 -5.787 4.484 -6.263 553 H LYS 71 HN LYS 71 -6.417 7.325 -10.343 554 HA LYS 71 HA LYS 71 -3.984 7.060 -11.781 555 1HB LYS 71 2HB LYS 71 -6.580 7.442 -12.474 556 2HB LYS 71 3HB LYS 71 -5.986 9.083 -12.625 557 1HG LYS 71 2HG LYS 71 -3.938 7.711 -13.846 558 2HG LYS 71 3HG LYS 71 -5.287 6.657 -14.223 559 1HD LYS 71 2HD LYS 71 -6.181 8.142 -15.708 560 2HD LYS 71 3HD LYS 71 -5.980 9.494 -14.612 561 1HE LYS 71 2HE LYS 71 -4.546 10.008 -16.447 562 2HE LYS 71 3HE LYS 71 -3.460 9.424 -15.201 563 1HZ LYS 71 1HZ LYS 71 -4.082 7.168 -16.429 564 2HZ LYS 71 2HZ LYS 71 -4.187 8.200 -17.691 565 3HZ LYS 71 3HZ LYS 71 -2.798 8.089 -16.840 566 H LYS 72 HN LYS 72 -5.623 9.731 -9.981 567 HA LYS 72 HA LYS 72 -3.505 11.558 -10.561 568 1HB LYS 72 2HB LYS 72 -5.877 11.675 -8.679 569 2HB LYS 72 3HB LYS 72 -4.744 12.992 -8.900 570 1HG LYS 72 2HG LYS 72 -6.278 11.699 -11.201 571 2HG LYS 72 3HG LYS 72 -6.847 13.118 -10.344 572 1HD LYS 72 2HD LYS 72 -4.300 13.932 -10.925 573 2HD LYS 72 3HD LYS 72 -4.571 12.847 -12.275 574 1HE LYS 72 2HE LYS 72 -6.705 14.876 -11.555 575 2HE LYS 72 3HE LYS 72 -5.292 15.400 -12.448 576 1HZ LYS 72 1HZ LYS 72 -6.729 14.762 -14.083 577 2HZ LYS 72 2HZ LYS 72 -5.850 13.395 -13.918 578 3HZ LYS 72 3HZ LYS 72 -7.339 13.494 -13.254 579 H ILE 73 HN ILE 73 -3.861 8.876 -8.477 580 HA ILE 73 HA ILE 73 -2.375 9.925 -6.280 581 HB ILE 73 HB ILE 73 -3.463 7.272 -7.106 582 1HG1 ILE 73 2HG1 ILE 73 -3.684 8.722 -4.463 583 2HG1 ILE 73 3HG1 ILE 73 -4.728 9.092 -5.821 584 1HG2 ILE 73 1HG2 ILE 73 -1.458 7.644 -4.864 585 2HG2 ILE 73 2HG2 ILE 73 -2.388 6.167 -5.214 586 3HG2 ILE 73 3HG2 ILE 73 -1.182 6.757 -6.382 587 1HD1 ILE 73 1HD1 ILE 73 -5.877 7.095 -5.671 588 2HD1 ILE 73 2HD1 ILE 73 -4.439 6.188 -5.144 589 3HD1 ILE 73 3HD1 ILE 73 -5.333 7.195 -3.979 590 H SER 74 HN SER 74 -1.663 7.755 -9.094 591 HA SER 74 HA SER 74 1.067 7.603 -8.376 592 1HB SER 74 2HB SER 74 -0.043 5.785 -9.610 593 2HB SER 74 3HB SER 74 -0.408 6.865 -10.942 594 HG SER 74 HG SER 74 1.456 5.666 -11.479 595 H GLN 75 HN GLN 75 -0.935 9.499 -10.691 596 HA GLN 75 HA GLN 75 1.329 10.692 -11.901 597 1HB GLN 75 2HB GLN 75 -1.311 10.386 -12.610 598 2HB GLN 75 3HB GLN 75 -1.305 12.067 -12.114 599 1HG GLN 75 2HG GLN 75 -0.787 11.804 -14.545 600 2HG GLN 75 3HG GLN 75 0.517 12.588 -13.675 601 1HE2 GLN 75 1HE2 GLN 75 -0.592 9.251 -14.278 602 2HE2 GLN 75 2HE2 GLN 75 0.937 8.596 -14.760 Start of MODEL 20 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.376 -0.248 -2.046 3 1HB LYS 1 2HB LYS 1 2.780 1.935 -0.606 4 2HB LYS 1 3HB LYS 1 3.594 1.315 -2.028 5 1HG LYS 1 2HG LYS 1 1.456 1.618 -3.341 6 2HG LYS 1 3HG LYS 1 0.712 2.324 -1.920 7 1HD LYS 1 2HD LYS 1 2.248 4.200 -1.929 8 2HD LYS 1 3HD LYS 1 3.293 3.429 -3.105 9 1HE LYS 1 2HE LYS 1 1.701 3.718 -4.883 10 2HE LYS 1 3HE LYS 1 0.391 4.057 -3.770 11 1HZ LYS 1 1HZ LYS 1 2.750 5.785 -3.927 12 2HZ LYS 1 2HZ LYS 1 1.457 6.003 -4.900 13 3HZ LYS 1 3HZ LYS 1 1.290 6.129 -3.281 14 H SER 2 HN SER 2 3.718 -0.485 0.698 15 HA SER 2 HA SER 2 5.413 -2.172 -0.840 16 1HB SER 2 2HB SER 2 5.725 -0.571 1.418 17 2HB SER 2 3HB SER 2 5.777 -2.186 2.097 18 HG SER 2 HG SER 2 7.788 -0.936 0.957 19 HA PRO 3 HA PRO 3 3.681 -5.975 0.371 20 1HB PRO 3 2HB PRO 3 5.836 -7.656 0.358 21 2HB PRO 3 3HB PRO 3 5.001 -7.156 -1.100 22 1HG PRO 3 2HG PRO 3 7.619 -6.257 -0.062 23 2HG PRO 3 3HG PRO 3 6.970 -6.107 -1.683 24 1HD PRO 3 2HD PRO 3 7.151 -4.034 0.292 25 2HD PRO 3 3HD PRO 3 6.398 -3.916 -1.286 26 H GLU 4 HN GLU 4 6.517 -5.057 2.204 27 HA GLU 4 HA GLU 4 6.174 -6.820 4.267 28 1HB GLU 4 2HB GLU 4 7.882 -4.699 3.665 29 2HB GLU 4 3HB GLU 4 7.077 -4.138 5.117 30 1HG GLU 4 2HG GLU 4 7.930 -6.988 5.226 31 2HG GLU 4 3HG GLU 4 9.255 -5.850 5.077 32 H GLU 5 HN GLU 5 4.509 -3.749 3.532 33 HA GLU 5 HA GLU 5 3.363 -3.444 6.063 34 1HB GLU 5 2HB GLU 5 3.270 -2.133 3.469 35 2HB GLU 5 3HB GLU 5 1.647 -2.264 4.117 36 1HG GLU 5 2HG GLU 5 3.171 -1.498 6.349 37 2HG GLU 5 3HG GLU 5 3.900 -0.594 5.037 38 H LEU 6 HN LEU 6 2.402 -5.179 3.075 39 HA LEU 6 HA LEU 6 -0.242 -5.678 3.718 40 1HB LEU 6 2HB LEU 6 1.822 -6.932 1.980 41 2HB LEU 6 3HB LEU 6 0.372 -7.858 2.314 42 HG LEU 6 HG LEU 6 0.417 -5.071 1.123 43 1HD1 LEU 6 1HD1 LEU 6 0.151 -7.795 -0.161 44 2HD1 LEU 6 2HD1 LEU 6 -0.359 -6.286 -0.956 45 3HD1 LEU 6 3HD1 LEU 6 1.346 -6.521 -0.502 46 1HD2 LEU 6 1HD2 LEU 6 -2.025 -6.156 0.529 47 2HD2 LEU 6 2HD2 LEU 6 -1.734 -6.777 2.172 48 3HD2 LEU 6 3HD2 LEU 6 -1.696 -5.024 1.863 49 H LYS 7 HN LYS 7 2.787 -7.345 4.708 50 HA LYS 7 HA LYS 7 1.477 -9.489 5.979 51 1HB LYS 7 2HB LYS 7 4.053 -8.906 5.262 52 2HB LYS 7 3HB LYS 7 4.130 -8.682 6.997 53 1HG LYS 7 2HG LYS 7 3.751 -10.915 7.449 54 2HG LYS 7 3HG LYS 7 2.633 -11.109 6.113 55 1HD LYS 7 2HD LYS 7 5.671 -10.905 5.851 56 2HD LYS 7 3HD LYS 7 4.747 -12.391 5.757 57 1HE LYS 7 2HE LYS 7 4.142 -12.004 3.590 58 2HE LYS 7 3HE LYS 7 3.679 -10.348 3.928 59 1HZ LYS 7 1HZ LYS 7 6.459 -11.243 3.608 60 2HZ LYS 7 2HZ LYS 7 5.574 -10.541 2.429 61 3HZ LYS 7 3HZ LYS 7 5.953 -9.700 3.777 62 H GLY 8 HN GLY 8 3.064 -6.507 7.328 63 1HA GLY 8 1HA GLY 8 2.355 -6.843 9.965 64 2HA GLY 8 2HA GLY 8 2.590 -5.301 9.166 65 H ILE 9 HN ILE 9 0.518 -5.072 7.368 66 HA ILE 9 HA ILE 9 -1.598 -4.291 8.952 67 HB ILE 9 HB ILE 9 -1.159 -4.743 6.042 68 1HG1 ILE 9 2HG1 ILE 9 -1.999 -2.343 7.695 69 2HG1 ILE 9 3HG1 ILE 9 -0.375 -2.688 7.136 70 1HG2 ILE 9 1HG2 ILE 9 -3.389 -5.611 6.278 71 2HG2 ILE 9 2HG2 ILE 9 -3.872 -4.226 7.285 72 3HG2 ILE 9 3HG2 ILE 9 -3.478 -3.982 5.567 73 1HD1 ILE 9 1HD1 ILE 9 -1.276 -2.685 4.750 74 2HD1 ILE 9 2HD1 ILE 9 -2.821 -2.100 5.414 75 3HD1 ILE 9 3HD1 ILE 9 -1.350 -1.112 5.580 76 H PHE 10 HN PHE 10 -1.238 -7.289 6.939 77 HA PHE 10 HA PHE 10 -3.670 -8.405 7.465 78 1HB PHE 10 2HB PHE 10 -2.226 -9.514 5.915 79 2HB PHE 10 3HB PHE 10 -0.829 -9.354 6.962 80 HD1 PHE 10 HD1 PHE 10 -0.486 -10.933 8.822 81 HD2 PHE 10 HD2 PHE 10 -3.703 -11.403 6.096 82 HE1 PHE 10 HE1 PHE 10 -0.790 -13.303 9.591 83 HE2 PHE 10 HE2 PHE 10 -4.008 -13.773 6.865 84 HZ PHE 10 HZ PHE 10 -2.548 -14.694 8.602 85 H GLU 11 HN GLU 11 -0.595 -8.888 9.350 86 HA GLU 11 HA GLU 11 -1.776 -10.510 11.256 87 1HB GLU 11 2HB GLU 11 0.797 -9.330 10.748 88 2HB GLU 11 3HB GLU 11 0.398 -9.017 12.425 89 1HG GLU 11 2HG GLU 11 -0.389 -11.654 12.192 90 2HG GLU 11 3HG GLU 11 0.948 -11.611 11.059 91 H LYS 12 HN LYS 12 -1.355 -6.944 11.038 92 HA LYS 12 HA LYS 12 -2.087 -6.296 13.624 93 1HB LYS 12 2HB LYS 12 -1.130 -4.841 11.722 94 2HB LYS 12 3HB LYS 12 -2.791 -4.635 11.202 95 1HG LYS 12 2HG LYS 12 -2.947 -4.172 13.959 96 2HG LYS 12 3HG LYS 12 -1.396 -3.474 13.539 97 1HD LYS 12 2HD LYS 12 -2.623 -2.288 11.586 98 2HD LYS 12 3HD LYS 12 -4.117 -2.786 12.354 99 1HE LYS 12 2HE LYS 12 -3.209 -1.671 14.513 100 2HE LYS 12 3HE LYS 12 -1.961 -0.964 13.506 101 1HZ LYS 12 1HZ LYS 12 -4.229 0.217 13.888 102 2HZ LYS 12 2HZ LYS 12 -3.456 0.340 12.454 103 3HZ LYS 12 3HZ LYS 12 -4.706 -0.697 12.621 104 H TYR 13 HN TYR 13 -3.966 -7.601 10.969 105 HA TYR 13 HA TYR 13 -6.465 -6.818 12.253 106 1HB TYR 13 2HB TYR 13 -5.408 -7.834 9.614 107 2HB TYR 13 3HB TYR 13 -7.000 -8.434 10.037 108 HD1 TYR 13 HD1 TYR 13 -5.131 -5.669 8.707 109 HD2 TYR 13 HD2 TYR 13 -8.842 -6.721 10.557 110 HE1 TYR 13 HE1 TYR 13 -6.178 -3.517 7.848 111 HE2 TYR 13 HE2 TYR 13 -9.876 -4.566 9.691 112 HH TYR 13 HH TYR 13 -9.329 -2.497 8.909 113 H ALA 14 HN ALA 14 -4.470 -9.704 11.441 114 HA ALA 14 HA ALA 14 -6.394 -11.578 12.309 115 1HB ALA 14 1HB ALA 14 -4.720 -13.161 11.876 116 2HB ALA 14 2HB ALA 14 -4.279 -11.823 10.788 117 3HB ALA 14 3HB ALA 14 -3.409 -12.044 12.325 118 H ALA 15 HN ALA 15 -4.289 -9.353 13.954 119 HA ALA 15 HA ALA 15 -4.154 -10.945 16.360 120 1HB ALA 15 1HB ALA 15 -2.557 -9.437 17.023 121 2HB ALA 15 2HB ALA 15 -2.476 -9.136 15.270 122 3HB ALA 15 3HB ALA 15 -3.419 -8.049 16.317 123 H LYS 16 HN LYS 16 -6.219 -8.545 14.838 124 HA LYS 16 HA LYS 16 -7.324 -7.316 17.040 125 1HB LYS 16 2HB LYS 16 -7.871 -7.572 14.231 126 2HB LYS 16 3HB LYS 16 -9.375 -7.741 15.114 127 1HG LYS 16 2HG LYS 16 -9.196 -5.402 14.839 128 2HG LYS 16 3HG LYS 16 -8.598 -5.644 16.469 129 1HD LYS 16 2HD LYS 16 -6.231 -5.802 15.412 130 2HD LYS 16 3HD LYS 16 -6.960 -5.192 13.940 131 1HE LYS 16 2HE LYS 16 -6.168 -3.237 15.044 132 2HE LYS 16 3HE LYS 16 -7.888 -3.243 15.379 133 1HZ LYS 16 1HZ LYS 16 -7.534 -3.846 17.527 134 2HZ LYS 16 2HZ LYS 16 -6.107 -4.587 17.241 135 3HZ LYS 16 3HZ LYS 16 -6.188 -2.956 17.275 136 H GLU 17 HN GLU 17 -8.777 -10.135 15.257 137 HA GLU 17 HA GLU 17 -9.855 -10.939 17.847 138 1HB GLU 17 2HB GLU 17 -11.047 -11.007 15.067 139 2HB GLU 17 3HB GLU 17 -11.596 -12.156 16.270 140 1HG GLU 17 2HG GLU 17 -11.557 -9.676 17.634 141 2HG GLU 17 3HG GLU 17 -12.180 -9.288 16.042 142 H GLY 18 HN GLY 18 -9.330 -12.976 18.586 143 1HA GLY 18 1HA GLY 18 -8.471 -15.054 18.627 144 2HA GLY 18 2HA GLY 18 -8.795 -15.179 16.909 145 H ASP 19 HN ASP 19 -6.586 -16.465 17.472 146 HA ASP 19 HA ASP 19 -4.283 -15.029 17.874 147 1HB ASP 19 2HB ASP 19 -4.823 -17.639 17.705 148 2HB ASP 19 3HB ASP 19 -4.334 -17.433 16.035 149 HA PRO 20 HA PRO 20 -3.808 -13.148 13.929 150 1HB PRO 20 2HB PRO 20 -1.209 -12.323 14.112 151 2HB PRO 20 3HB PRO 20 -2.548 -11.435 14.812 152 1HG PRO 20 2HG PRO 20 -0.526 -13.114 16.166 153 2HG PRO 20 3HG PRO 20 -1.586 -11.902 16.856 154 1HD PRO 20 2HD PRO 20 -1.895 -14.749 17.026 155 2HD PRO 20 3HD PRO 20 -3.014 -13.536 17.615 156 H ASN 21 HN ASN 21 -2.561 -16.036 14.770 157 HA ASN 21 HA ASN 21 -0.943 -16.291 12.415 158 1HB ASN 21 2HB ASN 21 -1.742 -18.251 14.627 159 2HB ASN 21 3HB ASN 21 -0.724 -18.710 13.276 160 1HD2 ASN 21 1HD2 ASN 21 -0.231 -18.537 16.188 161 2HD2 ASN 21 2HD2 ASN 21 1.170 -17.540 16.397 162 H GLN 22 HN GLN 22 -4.218 -16.259 13.085 163 HA GLN 22 HA GLN 22 -4.772 -17.847 10.756 164 1HB GLN 22 2HB GLN 22 -6.798 -18.829 12.239 165 2HB GLN 22 3HB GLN 22 -5.258 -19.652 12.094 166 1HG GLN 22 2HG GLN 22 -4.623 -19.156 14.259 167 2HG GLN 22 3HG GLN 22 -5.377 -17.574 14.236 168 1HE2 GLN 22 1HE2 GLN 22 -6.216 -18.008 16.303 169 2HE2 GLN 22 2HE2 GLN 22 -7.622 -18.991 16.540 170 H LEU 23 HN LEU 23 -6.254 -16.776 9.503 171 HA LEU 23 HA LEU 23 -7.476 -14.423 10.633 172 1HB LEU 23 2HB LEU 23 -7.156 -15.578 7.886 173 2HB LEU 23 3HB LEU 23 -8.340 -14.320 8.174 174 HG LEU 23 HG LEU 23 -5.983 -13.675 7.330 175 1HD1 LEU 23 1HD1 LEU 23 -6.484 -11.573 7.924 176 2HD1 LEU 23 2HD1 LEU 23 -7.947 -12.298 8.632 177 3HD1 LEU 23 3HD1 LEU 23 -6.533 -11.962 9.660 178 1HD2 LEU 23 1HD2 LEU 23 -4.447 -13.126 9.303 179 2HD2 LEU 23 2HD2 LEU 23 -5.414 -14.302 10.225 180 3HD2 LEU 23 3HD2 LEU 23 -4.532 -14.822 8.769 181 H SER 24 HN SER 24 -9.860 -13.980 10.111 182 HA SER 24 HA SER 24 -11.388 -16.443 10.187 183 1HB SER 24 2HB SER 24 -11.858 -14.129 12.118 184 2HB SER 24 3HB SER 24 -12.766 -15.627 12.055 185 HG SER 24 HG SER 24 -10.414 -16.583 12.361 186 H LYS 25 HN LYS 25 -13.832 -15.928 9.855 187 HA LYS 25 HA LYS 25 -14.131 -14.461 7.530 188 1HB LYS 25 2HB LYS 25 -15.603 -16.306 8.364 189 2HB LYS 25 3HB LYS 25 -16.284 -15.195 9.535 190 1HG LYS 25 2HG LYS 25 -16.655 -13.652 7.375 191 2HG LYS 25 3HG LYS 25 -16.554 -15.182 6.525 192 1HD LYS 25 2HD LYS 25 -18.331 -15.070 8.954 193 2HD LYS 25 3HD LYS 25 -18.884 -14.232 7.517 194 1HE LYS 25 2HE LYS 25 -19.531 -16.200 6.595 195 2HE LYS 25 3HE LYS 25 -17.885 -16.796 6.672 196 1HZ LYS 25 1HZ LYS 25 -18.305 -17.898 8.565 197 2HZ LYS 25 2HZ LYS 25 -19.361 -16.798 9.149 198 3HZ LYS 25 3HZ LYS 25 -19.844 -17.875 8.021 199 H GLU 26 HN GLU 26 -15.197 -13.590 10.896 200 HA GLU 26 HA GLU 26 -16.042 -11.064 10.223 201 1HB GLU 26 2HB GLU 26 -15.725 -12.632 12.592 202 2HB GLU 26 3HB GLU 26 -14.954 -11.091 12.911 203 1HG GLU 26 2HG GLU 26 -17.332 -10.386 11.572 204 2HG GLU 26 3HG GLU 26 -17.815 -11.717 12.606 205 H GLU 27 HN GLU 27 -12.807 -12.276 11.254 206 HA GLU 27 HA GLU 27 -11.622 -9.804 11.553 207 1HB GLU 27 2HB GLU 27 -10.707 -12.616 11.154 208 2HB GLU 27 3HB GLU 27 -9.530 -11.383 10.748 209 1HG GLU 27 2HG GLU 27 -10.290 -10.333 13.090 210 2HG GLU 27 3HG GLU 27 -10.815 -11.972 13.419 211 H LEU 28 HN LEU 28 -11.514 -12.069 8.703 212 HA LEU 28 HA LEU 28 -10.109 -10.408 7.018 213 1HB LEU 28 2HB LEU 28 -10.941 -12.893 6.853 214 2HB LEU 28 3HB LEU 28 -12.288 -12.181 5.987 215 HG LEU 28 HG LEU 28 -10.971 -11.499 4.198 216 1HD1 LEU 28 1HD1 LEU 28 -8.620 -11.637 6.087 217 2HD1 LEU 28 2HD1 LEU 28 -8.425 -11.514 4.321 218 3HD1 LEU 28 3HD1 LEU 28 -9.273 -10.229 5.214 219 1HD2 LEU 28 1HD2 LEU 28 -9.534 -13.999 5.121 220 2HD2 LEU 28 2HD2 LEU 28 -11.165 -13.980 4.408 221 3HD2 LEU 28 3HD2 LEU 28 -9.769 -13.431 3.450 222 H LYS 29 HN LYS 29 -13.676 -10.639 7.577 223 HA LYS 29 HA LYS 29 -14.624 -8.989 5.689 224 1HB LYS 29 2HB LYS 29 -15.988 -10.152 7.366 225 2HB LYS 29 3HB LYS 29 -15.435 -9.050 8.611 226 1HG LYS 29 2HG LYS 29 -16.748 -7.302 7.855 227 2HG LYS 29 3HG LYS 29 -16.562 -7.745 6.169 228 1HD LYS 29 2HD LYS 29 -18.011 -9.893 7.014 229 2HD LYS 29 3HD LYS 29 -18.573 -8.711 8.179 230 1HE LYS 29 2HE LYS 29 -18.994 -7.136 6.163 231 2HE LYS 29 3HE LYS 29 -18.733 -8.534 5.140 232 1HZ LYS 29 1HZ LYS 29 -20.681 -9.396 5.735 233 2HZ LYS 29 2HZ LYS 29 -20.549 -8.976 7.308 234 3HZ LYS 29 3HZ LYS 29 -21.068 -7.882 6.212 235 H LEU 30 HN LEU 30 -13.326 -7.877 8.898 236 HA LEU 30 HA LEU 30 -13.556 -5.176 8.396 237 1HB LEU 30 2HB LEU 30 -11.477 -6.623 10.043 238 2HB LEU 30 3HB LEU 30 -11.855 -4.915 10.145 239 HG LEU 30 HG LEU 30 -13.436 -7.276 11.093 240 1HD1 LEU 30 1HD1 LEU 30 -13.455 -4.722 12.564 241 2HD1 LEU 30 2HD1 LEU 30 -13.167 -6.383 13.135 242 3HD1 LEU 30 3HD1 LEU 30 -11.850 -5.465 12.365 243 1HD2 LEU 30 1HD2 LEU 30 -15.353 -5.555 11.440 244 2HD2 LEU 30 2HD2 LEU 30 -14.590 -4.692 10.084 245 3HD2 LEU 30 3HD2 LEU 30 -15.170 -6.361 9.864 246 H LEU 31 HN LEU 31 -10.676 -7.330 7.874 247 HA LEU 31 HA LEU 31 -9.004 -5.451 6.806 248 1HB LEU 31 2HB LEU 31 -8.697 -7.960 7.403 249 2HB LEU 31 3HB LEU 31 -9.135 -8.250 5.731 250 HG LEU 31 HG LEU 31 -7.046 -6.207 6.041 251 1HD1 LEU 31 1HD1 LEU 31 -5.977 -8.930 6.527 252 2HD1 LEU 31 2HD1 LEU 31 -5.393 -7.343 7.082 253 3HD1 LEU 31 3HD1 LEU 31 -6.764 -8.125 7.905 254 1HD2 LEU 31 1HD2 LEU 31 -6.154 -7.178 4.131 255 2HD2 LEU 31 2HD2 LEU 31 -6.844 -8.778 4.494 256 3HD2 LEU 31 3HD2 LEU 31 -7.902 -7.457 3.941 257 H LEU 32 HN LEU 32 -11.042 -7.744 4.848 258 HA LEU 32 HA LEU 32 -10.631 -6.541 2.429 259 1HB LEU 32 2HB LEU 32 -13.178 -7.857 3.380 260 2HB LEU 32 3HB LEU 32 -12.674 -7.638 1.716 261 HG LEU 32 HG LEU 32 -11.063 -9.260 3.695 262 1HD1 LEU 32 1HD1 LEU 32 -13.175 -10.339 3.681 263 2HD1 LEU 32 2HD1 LEU 32 -13.343 -10.150 1.919 264 3HD1 LEU 32 3HD1 LEU 32 -12.123 -11.263 2.582 265 1HD2 LEU 32 1HD2 LEU 32 -11.095 -9.154 0.667 266 2HD2 LEU 32 2HD2 LEU 32 -9.820 -8.542 1.747 267 3HD2 LEU 32 3HD2 LEU 32 -10.139 -10.290 1.649 268 H GLN 33 HN GLN 33 -12.374 -5.342 5.203 269 HA GLN 33 HA GLN 33 -14.118 -3.659 3.789 270 1HB GLN 33 2HB GLN 33 -13.842 -4.458 6.417 271 2HB GLN 33 3HB GLN 33 -13.274 -2.803 6.509 272 1HG GLN 33 2HG GLN 33 -15.441 -2.263 5.073 273 2HG GLN 33 3HG GLN 33 -15.996 -3.822 5.650 274 1HE2 GLN 33 1HE2 GLN 33 -15.558 -4.177 8.075 275 2HE2 GLN 33 2HE2 GLN 33 -16.027 -2.892 9.138 276 H THR 34 HN THR 34 -10.893 -3.186 5.367 277 HA THR 34 HA THR 34 -10.762 -0.527 4.132 278 HB THR 34 HB THR 34 -9.737 -1.834 6.611 279 HG1 THR 34 HG1 THR 34 -10.084 0.426 7.212 280 1HG2 THR 34 1HG2 THR 34 -8.101 0.291 5.127 281 2HG2 THR 34 2HG2 THR 34 -7.792 -0.310 6.774 282 3HG2 THR 34 3HG2 THR 34 -7.575 -1.391 5.376 283 H GLU 35 HN GLU 35 -8.780 -3.531 4.570 284 HA GLU 35 HA GLU 35 -6.704 -2.857 3.008 285 1HB GLU 35 2HB GLU 35 -6.776 -4.952 4.246 286 2HB GLU 35 3HB GLU 35 -8.110 -5.546 3.277 287 1HG GLU 35 2HG GLU 35 -6.471 -6.567 2.048 288 2HG GLU 35 3HG GLU 35 -6.295 -4.995 1.293 289 H PHE 36 HN PHE 36 -9.730 -4.527 1.863 290 HA PHE 36 HA PHE 36 -9.494 -3.101 -0.639 291 1HB PHE 36 2HB PHE 36 -9.417 -6.153 -0.268 292 2HB PHE 36 3HB PHE 36 -9.775 -5.410 -1.814 293 HD1 PHE 36 HD1 PHE 36 -7.306 -7.060 -0.262 294 HD2 PHE 36 HD2 PHE 36 -7.893 -3.319 -2.177 295 HE1 PHE 36 HE1 PHE 36 -4.851 -6.936 -0.771 296 HE2 PHE 36 HE2 PHE 36 -5.438 -3.195 -2.687 297 HZ PHE 36 HZ PHE 36 -3.947 -5.005 -1.978 298 HA PRO 37 HA PRO 37 -13.751 -3.593 0.659 299 1HB PRO 37 2HB PRO 37 -14.569 -1.062 0.034 300 2HB PRO 37 3HB PRO 37 -13.973 -1.512 1.619 301 1HG PRO 37 2HG PRO 37 -12.611 0.030 -0.503 302 2HG PRO 37 3HG PRO 37 -12.224 -0.068 1.203 303 1HD PRO 37 2HD PRO 37 -10.857 -1.388 -0.945 304 2HD PRO 37 3HD PRO 37 -10.544 -1.576 0.769 305 H SER 38 HN SER 38 -12.176 -3.119 -2.225 306 HA SER 38 HA SER 38 -14.533 -2.934 -3.798 307 1HB SER 38 2HB SER 38 -11.731 -2.593 -4.189 308 2HB SER 38 3HB SER 38 -12.209 -3.887 -5.269 309 HG SER 38 HG SER 38 -14.073 -2.322 -5.840 310 H LEU 39 HN LEU 39 -12.735 -5.453 -2.212 311 HA LEU 39 HA LEU 39 -13.304 -7.547 -4.031 312 1HB LEU 39 2HB LEU 39 -11.891 -7.156 -1.574 313 2HB LEU 39 3HB LEU 39 -12.954 -8.539 -1.396 314 HG LEU 39 HG LEU 39 -10.556 -8.939 -2.214 315 1HD1 LEU 39 1HD1 LEU 39 -11.187 -10.904 -3.246 316 2HD1 LEU 39 2HD1 LEU 39 -12.660 -10.478 -2.342 317 3HD1 LEU 39 3HD1 LEU 39 -12.562 -10.152 -4.089 318 1HD2 LEU 39 1HD2 LEU 39 -9.975 -8.557 -4.445 319 2HD2 LEU 39 2HD2 LEU 39 -11.655 -8.225 -4.928 320 3HD2 LEU 39 3HD2 LEU 39 -10.765 -7.046 -3.935 321 H LEU 40 HN LEU 40 -15.144 -5.792 -1.630 322 HA LEU 40 HA LEU 40 -17.021 -7.884 -1.144 323 1HB LEU 40 2HB LEU 40 -17.079 -4.915 -0.599 324 2HB LEU 40 3HB LEU 40 -18.323 -6.037 -0.086 325 HG LEU 40 HG LEU 40 -15.422 -6.306 0.735 326 1HD1 LEU 40 1HD1 LEU 40 -16.359 -4.126 1.468 327 2HD1 LEU 40 2HD1 LEU 40 -17.648 -5.005 2.325 328 3HD1 LEU 40 3HD1 LEU 40 -15.950 -5.215 2.815 329 1HD2 LEU 40 1HD2 LEU 40 -17.768 -7.395 2.253 330 2HD2 LEU 40 2HD2 LEU 40 -17.161 -8.259 0.820 331 3HD2 LEU 40 3HD2 LEU 40 -16.079 -7.955 2.200 332 H LYS 41 HN LYS 41 -16.453 -5.520 -3.660 333 HA LYS 41 HA LYS 41 -19.195 -5.710 -4.598 334 1HB LYS 41 2HB LYS 41 -16.817 -4.141 -5.638 335 2HB LYS 41 3HB LYS 41 -18.439 -4.068 -6.294 336 1HG LYS 41 2HG LYS 41 -19.060 -3.585 -3.706 337 2HG LYS 41 3HG LYS 41 -17.401 -3.021 -3.668 338 1HD LYS 41 2HD LYS 41 -18.002 -1.091 -4.692 339 2HD LYS 41 3HD LYS 41 -18.616 -1.983 -6.069 340 1HE LYS 41 2HE LYS 41 -20.632 -2.405 -4.214 341 2HE LYS 41 3HE LYS 41 -20.094 -0.796 -3.773 342 1HZ LYS 41 1HZ LYS 41 -21.719 -0.585 -5.435 343 2HZ LYS 41 2HZ LYS 41 -20.300 -0.233 -6.161 344 3HZ LYS 41 3HZ LYS 41 -21.010 -1.681 -6.416 345 H GLY 42 HN GLY 42 -18.317 -8.227 -4.548 346 1HA GLY 42 1HA GLY 42 -17.703 -8.785 -7.382 347 2HA GLY 42 2HA GLY 42 -16.854 -9.608 -6.089 348 H MET 43 HN MET 43 -18.196 -11.207 -7.847 349 HA MET 43 HA MET 43 -20.872 -11.630 -7.034 350 1HB MET 43 2HB MET 43 -18.901 -13.366 -8.626 351 2HB MET 43 3HB MET 43 -20.620 -13.686 -8.512 352 1HG MET 43 2HG MET 43 -21.036 -12.226 -10.200 353 2HG MET 43 3HG MET 43 -20.295 -10.924 -9.291 354 1HE MET 43 1HE MET 43 -20.250 -10.483 -11.903 355 2HE MET 43 2HE MET 43 -18.763 -9.644 -11.399 356 3HE MET 43 3HE MET 43 -18.743 -10.712 -12.823 357 H SER 44 HN SER 44 -17.939 -12.251 -5.502 358 HA SER 44 HA SER 44 -18.886 -14.741 -4.354 359 1HB SER 44 2HB SER 44 -16.466 -14.422 -3.199 360 2HB SER 44 3HB SER 44 -16.666 -15.149 -4.781 361 HG SER 44 HG SER 44 -15.206 -13.014 -4.201 362 H THR 45 HN THR 45 -20.412 -14.213 -2.778 363 HA THR 45 HA THR 45 -20.331 -11.893 -1.219 364 HB THR 45 HB THR 45 -22.120 -13.053 0.034 365 HG1 THR 45 HG1 THR 45 -21.385 -15.374 -1.571 366 1HG2 THR 45 1HG2 THR 45 -22.018 -13.092 -2.914 367 2HG2 THR 45 2HG2 THR 45 -23.022 -14.412 -2.266 368 3HG2 THR 45 3HG2 THR 45 -23.392 -12.722 -1.845 369 H LEU 46 HN LEU 46 -20.284 -12.002 1.293 370 HA LEU 46 HA LEU 46 -17.680 -12.366 2.055 371 1HB LEU 46 2HB LEU 46 -19.727 -11.153 3.141 372 2HB LEU 46 3HB LEU 46 -19.925 -12.658 4.017 373 HG LEU 46 HG LEU 46 -18.590 -10.752 5.114 374 1HD1 LEU 46 1HD1 LEU 46 -18.035 -12.360 6.535 375 2HD1 LEU 46 2HD1 LEU 46 -18.428 -13.569 5.288 376 3HD1 LEU 46 3HD1 LEU 46 -16.766 -12.947 5.433 377 1HD2 LEU 46 1HD2 LEU 46 -16.441 -10.268 4.481 378 2HD2 LEU 46 2HD2 LEU 46 -16.204 -11.833 3.667 379 3HD2 LEU 46 3HD2 LEU 46 -17.187 -10.567 2.893 380 H ASP 47 HN ASP 47 -20.454 -14.525 2.999 381 HA ASP 47 HA ASP 47 -19.074 -16.462 4.184 382 1HB ASP 47 2HB ASP 47 -21.533 -16.421 2.461 383 2HB ASP 47 3HB ASP 47 -20.865 -18.001 2.816 384 H GLU 48 HN GLU 48 -19.748 -16.140 0.622 385 HA GLU 48 HA GLU 48 -18.528 -18.444 -0.193 386 1HB GLU 48 2HB GLU 48 -19.507 -15.985 -1.397 387 2HB GLU 48 3HB GLU 48 -18.026 -16.477 -2.193 388 1HG GLU 48 2HG GLU 48 -19.218 -18.900 -2.097 389 2HG GLU 48 3HG GLU 48 -20.667 -17.917 -2.030 390 H LEU 49 HN LEU 49 -17.126 -15.152 0.332 391 HA LEU 49 HA LEU 49 -14.571 -15.750 -0.605 392 1HB LEU 49 2HB LEU 49 -15.877 -13.536 0.243 393 2HB LEU 49 3HB LEU 49 -14.838 -13.828 1.624 394 HG LEU 49 HG LEU 49 -12.991 -14.052 -0.313 395 1HD1 LEU 49 1HD1 LEU 49 -13.543 -13.260 -2.310 396 2HD1 LEU 49 2HD1 LEU 49 -15.234 -13.182 -1.762 397 3HD1 LEU 49 3HD1 LEU 49 -14.180 -11.757 -1.599 398 1HD2 LEU 49 1HD2 LEU 49 -13.264 -11.251 0.109 399 2HD2 LEU 49 2HD2 LEU 49 -13.789 -12.084 1.592 400 3HD2 LEU 49 3HD2 LEU 49 -12.173 -12.401 0.917 401 H PHE 50 HN PHE 50 -16.073 -16.056 2.663 402 HA PHE 50 HA PHE 50 -13.765 -16.789 4.012 403 1HB PHE 50 2HB PHE 50 -16.151 -16.178 4.845 404 2HB PHE 50 3HB PHE 50 -16.647 -17.797 4.393 405 HD1 PHE 50 HD1 PHE 50 -13.587 -16.554 6.137 406 HD2 PHE 50 HD2 PHE 50 -17.062 -18.981 6.329 407 HE1 PHE 50 HE1 PHE 50 -12.870 -17.403 8.388 408 HE2 PHE 50 HE2 PHE 50 -16.345 -19.830 8.580 409 HZ PHE 50 HZ PHE 50 -14.258 -19.030 9.582 410 H GLU 51 HN GLU 51 -16.322 -18.863 2.471 411 HA GLU 51 HA GLU 51 -15.001 -21.238 3.119 412 1HB GLU 51 2HB GLU 51 -17.436 -20.423 1.796 413 2HB GLU 51 3HB GLU 51 -16.639 -21.616 0.790 414 1HG GLU 51 2HG GLU 51 -16.331 -22.728 3.315 415 2HG GLU 51 3HG GLU 51 -17.885 -21.933 3.471 416 H GLU 52 HN GLU 52 -15.035 -19.115 0.205 417 HA GLU 52 HA GLU 52 -13.607 -20.825 -1.431 418 1HB GLU 52 2HB GLU 52 -14.884 -18.713 -2.082 419 2HB GLU 52 3HB GLU 52 -13.527 -17.779 -1.487 420 1HG GLU 52 2HG GLU 52 -12.252 -19.626 -3.122 421 2HG GLU 52 3HG GLU 52 -13.765 -19.392 -3.973 422 H LEU 53 HN LEU 53 -12.461 -18.012 0.574 423 HA LEU 53 HA LEU 53 -9.770 -18.314 0.006 424 1HB LEU 53 2HB LEU 53 -11.077 -17.268 2.521 425 2HB LEU 53 3HB LEU 53 -9.411 -17.004 2.047 426 HG LEU 53 HG LEU 53 -11.597 -16.154 0.178 427 1HD1 LEU 53 1HD1 LEU 53 -12.473 -14.631 1.528 428 2HD1 LEU 53 2HD1 LEU 53 -11.491 -15.273 2.866 429 3HD1 LEU 53 3HD1 LEU 53 -10.862 -13.949 1.856 430 1HD2 LEU 53 1HD2 LEU 53 -9.789 -15.488 -0.935 431 2HD2 LEU 53 2HD2 LEU 53 -9.605 -14.221 0.302 432 3HD2 LEU 53 3HD2 LEU 53 -8.728 -15.762 0.469 433 H ASP 54 HN ASP 54 -11.735 -19.679 2.732 434 HA ASP 54 HA ASP 54 -9.525 -21.105 3.731 435 1HB ASP 54 2HB ASP 54 -11.768 -20.349 4.891 436 2HB ASP 54 3HB ASP 54 -12.434 -21.827 4.226 437 H LYS 55 HN LYS 55 -8.690 -22.506 2.073 438 HA LYS 55 HA LYS 55 -10.597 -24.505 1.071 439 1HB LYS 55 2HB LYS 55 -9.264 -22.782 -0.477 440 2HB LYS 55 3HB LYS 55 -8.004 -23.989 -0.321 441 1HG LYS 55 2HG LYS 55 -10.623 -25.231 -0.827 442 2HG LYS 55 3HG LYS 55 -10.210 -24.078 -2.080 443 1HD LYS 55 2HD LYS 55 -8.405 -25.318 -2.833 444 2HD LYS 55 3HD LYS 55 -7.989 -25.892 -1.231 445 1HE LYS 55 2HE LYS 55 -9.806 -27.532 -1.266 446 2HE LYS 55 3HE LYS 55 -10.455 -26.859 -2.748 447 1HZ LYS 55 1HZ LYS 55 -7.706 -27.825 -2.693 448 2HZ LYS 55 2HZ LYS 55 -8.935 -28.889 -2.853 449 3HZ LYS 55 3HZ LYS 55 -8.728 -27.708 -3.961 450 H ASN 56 HN ASN 56 -8.170 -23.928 3.327 451 HA ASN 56 HA ASN 56 -6.885 -26.467 2.987 452 1HB ASN 56 2HB ASN 56 -5.610 -25.760 5.054 453 2HB ASN 56 3HB ASN 56 -5.519 -24.577 3.764 454 1HD2 ASN 56 1HD2 ASN 56 -4.935 -23.165 5.554 455 2HD2 ASN 56 2HD2 ASN 56 -6.175 -22.362 6.459 456 H GLY 57 HN GLY 57 -9.886 -25.667 3.945 457 1HA GLY 57 1HA GLY 57 -11.355 -26.289 5.569 458 2HA GLY 57 2HA GLY 57 -10.698 -27.870 5.193 459 H ASP 58 HN ASP 58 -9.955 -24.927 7.192 460 HA ASP 58 HA ASP 58 -9.261 -26.767 9.327 461 1HB ASP 58 2HB ASP 58 -7.666 -24.298 8.493 462 2HB ASP 58 3HB ASP 58 -7.373 -25.208 9.962 463 H GLY 59 HN GLY 59 -9.819 -23.331 8.270 464 1HA GLY 59 1HA GLY 59 -11.778 -22.236 9.233 465 2HA GLY 59 2HA GLY 59 -11.301 -22.878 10.792 466 H GLU 60 HN GLU 60 -8.952 -21.674 8.372 467 HA GLU 60 HA GLU 60 -8.779 -19.141 9.687 468 1HB GLU 60 2HB GLU 60 -6.346 -19.413 10.246 469 2HB GLU 60 3HB GLU 60 -7.397 -20.430 11.212 470 1HG GLU 60 2HG GLU 60 -6.861 -22.058 9.010 471 2HG GLU 60 3HG GLU 60 -5.346 -21.200 9.214 472 H VAL 61 HN VAL 61 -8.278 -17.607 8.164 473 HA VAL 61 HA VAL 61 -7.333 -18.609 5.590 474 HB VAL 61 HB VAL 61 -8.706 -16.071 6.477 475 1HG1 VAL 61 1HG1 VAL 61 -7.235 -16.700 3.954 476 2HG1 VAL 61 2HG1 VAL 61 -8.779 -15.825 3.818 477 3HG1 VAL 61 3HG1 VAL 61 -7.456 -15.148 4.798 478 1HG2 VAL 61 1HG2 VAL 61 -9.722 -17.942 4.362 479 2HG2 VAL 61 2HG2 VAL 61 -9.897 -18.390 6.075 480 3HG2 VAL 61 3HG2 VAL 61 -10.619 -16.879 5.472 481 H SER 62 HN SER 62 -5.249 -18.854 7.168 482 HA SER 62 HA SER 62 -3.814 -16.708 7.944 483 1HB SER 62 2HB SER 62 -2.047 -18.665 6.702 484 2HB SER 62 3HB SER 62 -2.270 -18.299 8.401 485 HG SER 62 HG SER 62 -3.697 -20.191 6.768 486 H PHE 63 HN PHE 63 -1.664 -15.889 6.870 487 HA PHE 63 HA PHE 63 -2.245 -14.422 4.660 488 1HB PHE 63 2HB PHE 63 -0.264 -14.285 6.289 489 2HB PHE 63 3HB PHE 63 0.443 -15.674 5.489 490 HD1 PHE 63 HD1 PHE 63 -0.978 -12.358 4.491 491 HD2 PHE 63 HD2 PHE 63 2.126 -15.210 3.998 492 HE1 PHE 63 HE1 PHE 63 0.163 -10.834 2.855 493 HE2 PHE 63 HE2 PHE 63 3.267 -13.686 2.362 494 HZ PHE 63 HZ PHE 63 2.271 -11.517 1.810 495 H GLU 64 HN GLU 64 -1.066 -17.791 4.842 496 HA GLU 64 HA GLU 64 -0.113 -18.092 2.318 497 1HB GLU 64 2HB GLU 64 -1.099 -20.534 2.643 498 2HB GLU 64 3HB GLU 64 0.214 -19.963 3.654 499 1HG GLU 64 2HG GLU 64 -1.062 -20.081 5.532 500 2HG GLU 64 3HG GLU 64 -2.356 -19.158 4.793 501 H GLU 65 HN GLU 65 -3.529 -18.572 3.466 502 HA GLU 65 HA GLU 65 -4.458 -19.078 0.862 503 1HB GLU 65 2HB GLU 65 -5.930 -18.312 3.420 504 2HB GLU 65 3HB GLU 65 -6.732 -18.813 1.945 505 1HG GLU 65 2HG GLU 65 -5.254 -20.949 2.055 506 2HG GLU 65 3HG GLU 65 -4.855 -20.460 3.689 507 H PHE 66 HN PHE 66 -3.866 -16.180 2.789 508 HA PHE 66 HA PHE 66 -5.619 -14.423 1.559 509 1HB PHE 66 2HB PHE 66 -3.935 -14.263 3.609 510 2HB PHE 66 3HB PHE 66 -2.737 -13.821 2.409 511 HD1 PHE 66 HD1 PHE 66 -2.335 -11.569 2.240 512 HD2 PHE 66 HD2 PHE 66 -6.264 -12.852 3.201 513 HE1 PHE 66 HE1 PHE 66 -3.083 -9.177 2.373 514 HE2 PHE 66 HE2 PHE 66 -7.013 -10.459 3.334 515 HZ PHE 66 HZ PHE 66 -5.413 -8.651 2.919 516 H GLN 67 HN GLN 67 -2.374 -15.615 0.579 517 HA GLN 67 HA GLN 67 -1.932 -13.743 -1.403 518 1HB GLN 67 2HB GLN 67 -1.011 -16.650 -1.376 519 2HB GLN 67 3HB GLN 67 -0.261 -15.333 -2.257 520 1HG GLN 67 2HG GLN 67 -0.097 -14.191 0.139 521 2HG GLN 67 3HG GLN 67 -0.305 -15.827 0.732 522 1HE2 GLN 67 1HE2 GLN 67 1.941 -13.657 0.270 523 2HE2 GLN 67 2HE2 GLN 67 3.308 -14.597 -0.227 524 H VAL 68 HN VAL 68 -4.334 -16.177 -1.175 525 HA VAL 68 HA VAL 68 -4.490 -16.772 -3.972 526 HB VAL 68 HB VAL 68 -6.495 -17.237 -1.758 527 1HG1 VAL 68 1HG1 VAL 68 -6.137 -18.443 -4.516 528 2HG1 VAL 68 2HG1 VAL 68 -7.159 -19.168 -3.251 529 3HG1 VAL 68 3HG1 VAL 68 -7.539 -17.548 -3.882 530 1HG2 VAL 68 1HG2 VAL 68 -3.936 -18.194 -1.745 531 2HG2 VAL 68 2HG2 VAL 68 -5.330 -19.016 -1.004 532 3HG2 VAL 68 3HG2 VAL 68 -4.785 -19.482 -2.633 533 H LEU 69 HN LEU 69 -6.024 -14.523 -1.636 534 HA LEU 69 HA LEU 69 -7.956 -13.620 -3.531 535 1HB LEU 69 2HB LEU 69 -7.895 -13.627 -0.884 536 2HB LEU 69 3HB LEU 69 -7.178 -12.045 -1.119 537 HG LEU 69 HG LEU 69 -9.149 -11.331 -2.416 538 1HD1 LEU 69 1HD1 LEU 69 -9.676 -14.131 -2.533 539 2HD1 LEU 69 2HD1 LEU 69 -11.038 -13.339 -1.705 540 3HD1 LEU 69 3HD1 LEU 69 -10.543 -12.794 -3.325 541 1HD2 LEU 69 1HD2 LEU 69 -9.334 -12.247 0.413 542 2HD2 LEU 69 2HD2 LEU 69 -9.434 -10.610 -0.279 543 3HD2 LEU 69 3HD2 LEU 69 -10.831 -11.707 -0.385 544 H VAL 70 HN VAL 70 -4.633 -12.782 -2.600 545 HA VAL 70 HA VAL 70 -4.490 -10.208 -3.550 546 HB VAL 70 HB VAL 70 -2.593 -12.488 -3.224 547 1HG1 VAL 70 1HG1 VAL 70 -1.881 -11.449 -5.341 548 2HG1 VAL 70 2HG1 VAL 70 -1.823 -9.860 -4.541 549 3HG1 VAL 70 3HG1 VAL 70 -0.708 -11.153 -4.036 550 1HG2 VAL 70 1HG2 VAL 70 -1.475 -10.814 -1.728 551 2HG2 VAL 70 2HG2 VAL 70 -2.796 -9.678 -2.095 552 3HG2 VAL 70 3HG2 VAL 70 -3.146 -11.210 -1.260 553 H LYS 71 HN LYS 71 -5.042 -13.197 -5.269 554 HA LYS 71 HA LYS 71 -4.005 -12.357 -7.765 555 1HB LYS 71 2HB LYS 71 -4.871 -14.730 -6.683 556 2HB LYS 71 3HB LYS 71 -6.184 -14.342 -7.776 557 1HG LYS 71 2HG LYS 71 -3.793 -13.730 -9.204 558 2HG LYS 71 3HG LYS 71 -3.484 -15.258 -8.403 559 1HD LYS 71 2HD LYS 71 -5.959 -15.825 -9.311 560 2HD LYS 71 3HD LYS 71 -5.558 -14.588 -10.487 561 1HE LYS 71 2HE LYS 71 -3.363 -15.866 -10.916 562 2HE LYS 71 3HE LYS 71 -4.014 -17.161 -9.932 563 1HZ LYS 71 1HZ LYS 71 -5.364 -17.768 -11.562 564 2HZ LYS 71 2HZ LYS 71 -5.835 -16.245 -11.917 565 3HZ LYS 71 3HZ LYS 71 -4.455 -16.842 -12.554 566 H LYS 72 HN LYS 72 -7.298 -12.363 -6.262 567 HA LYS 72 HA LYS 72 -8.506 -11.174 -8.531 568 1HB LYS 72 2HB LYS 72 -9.437 -11.431 -5.656 569 2HB LYS 72 3HB LYS 72 -10.435 -10.874 -6.983 570 1HG LYS 72 2HG LYS 72 -10.973 -13.142 -6.995 571 2HG LYS 72 3HG LYS 72 -9.655 -13.135 -8.150 572 1HD LYS 72 2HD LYS 72 -8.127 -14.090 -6.633 573 2HD LYS 72 3HD LYS 72 -8.993 -13.507 -5.226 574 1HE LYS 72 2HE LYS 72 -10.801 -15.227 -6.638 575 2HE LYS 72 3HE LYS 72 -9.259 -16.058 -6.591 576 1HZ LYS 72 1HZ LYS 72 -10.617 -16.470 -4.638 577 2HZ LYS 72 2HZ LYS 72 -9.202 -15.763 -4.233 578 3HZ LYS 72 3HZ LYS 72 -10.580 -14.887 -4.242 579 H ILE 73 HN ILE 73 -6.897 -9.977 -5.579 580 HA ILE 73 HA ILE 73 -7.789 -7.295 -5.962 581 HB ILE 73 HB ILE 73 -5.575 -8.439 -4.254 582 1HG1 ILE 73 2HG1 ILE 73 -8.239 -7.588 -3.184 583 2HG1 ILE 73 3HG1 ILE 73 -8.122 -9.142 -3.985 584 1HG2 ILE 73 1HG2 ILE 73 -6.295 -5.725 -4.853 585 2HG2 ILE 73 2HG2 ILE 73 -6.649 -6.071 -3.143 586 3HG2 ILE 73 3HG2 ILE 73 -5.013 -6.347 -3.787 587 1HD1 ILE 73 1HD1 ILE 73 -7.570 -8.779 -1.342 588 2HD1 ILE 73 2HD1 ILE 73 -6.823 -10.063 -2.323 589 3HD1 ILE 73 3HD1 ILE 73 -5.944 -8.544 -2.027 590 H SER 74 HN SER 74 -5.611 -9.307 -7.616 591 HA SER 74 HA SER 74 -3.774 -7.172 -8.203 592 1HB SER 74 2HB SER 74 -2.954 -9.504 -7.876 593 2HB SER 74 3HB SER 74 -3.911 -10.037 -9.244 594 HG SER 74 HG SER 74 -1.432 -8.811 -9.209 595 H GLN 75 HN GLN 75 -6.344 -9.161 -9.769 596 HA GLN 75 HA GLN 75 -5.969 -8.017 -12.304 597 1HB GLN 75 2HB GLN 75 -7.451 -10.137 -11.212 598 2HB GLN 75 3HB GLN 75 -8.682 -9.024 -11.773 599 1HG GLN 75 2HG GLN 75 -8.317 -10.167 -13.755 600 2HG GLN 75 3HG GLN 75 -7.110 -8.912 -13.950 601 1HE2 GLN 75 1HE2 GLN 75 -7.380 -11.952 -12.103 602 2HE2 GLN 75 2HE2 GLN 75 -5.880 -12.652 -12.613 Start of MODEL 21 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.823 0.918 -1.777 3 1HB LYS 1 2HB LYS 1 3.762 -0.201 0.081 4 2HB LYS 1 3HB LYS 1 4.078 -0.734 -1.557 5 1HG LYS 1 2HG LYS 1 4.544 1.405 -2.322 6 2HG LYS 1 3HG LYS 1 3.384 2.163 -1.251 7 1HD LYS 1 2HD LYS 1 5.111 1.304 0.636 8 2HD LYS 1 3HD LYS 1 6.239 1.367 -0.704 9 1HE LYS 1 2HE LYS 1 4.659 3.781 -0.780 10 2HE LYS 1 3HE LYS 1 5.205 3.558 0.870 11 1HZ LYS 1 1HZ LYS 1 7.175 3.086 -1.175 12 2HZ LYS 1 2HZ LYS 1 6.692 4.637 -1.004 13 3HZ LYS 1 3HZ LYS 1 7.329 3.835 0.268 14 H SER 2 HN SER 2 1.390 -2.361 -0.425 15 HA SER 2 HA SER 2 1.517 -3.555 -3.002 16 1HB SER 2 2HB SER 2 1.626 -4.436 -0.304 17 2HB SER 2 3HB SER 2 0.194 -5.190 -0.977 18 HG SER 2 HG SER 2 2.470 -6.238 -1.229 19 HA PRO 3 HA PRO 3 -2.731 -3.449 -3.959 20 1HB PRO 3 2HB PRO 3 -3.313 -5.922 -4.966 21 2HB PRO 3 3HB PRO 3 -2.478 -4.685 -5.885 22 1HG PRO 3 2HG PRO 3 -1.373 -7.122 -4.627 23 2HG PRO 3 3HG PRO 3 -0.671 -6.118 -5.880 24 1HD PRO 3 2HD PRO 3 0.053 -6.157 -3.105 25 2HD PRO 3 3HD PRO 3 0.673 -5.073 -4.334 26 H GLU 4 HN GLU 4 -2.038 -6.411 -2.186 27 HA GLU 4 HA GLU 4 -4.630 -6.788 -1.324 28 1HB GLU 4 2HB GLU 4 -2.164 -8.072 -1.019 29 2HB GLU 4 3HB GLU 4 -2.569 -7.609 0.622 30 1HG GLU 4 2HG GLU 4 -4.772 -8.817 -1.033 31 2HG GLU 4 3HG GLU 4 -3.486 -9.892 -0.519 32 H GLU 5 HN GLU 5 -2.070 -4.594 -0.231 33 HA GLU 5 HA GLU 5 -3.021 -4.121 2.322 34 1HB GLU 5 2HB GLU 5 -1.048 -2.999 0.505 35 2HB GLU 5 3HB GLU 5 -1.886 -1.700 1.330 36 1HG GLU 5 2HG GLU 5 -1.444 -3.558 3.381 37 2HG GLU 5 3HG GLU 5 0.009 -3.696 2.411 38 H LEU 6 HN LEU 6 -3.910 -2.755 -0.875 39 HA LEU 6 HA LEU 6 -5.401 -0.596 0.001 40 1HB LEU 6 2HB LEU 6 -5.224 -2.259 -2.442 41 2HB LEU 6 3HB LEU 6 -6.700 -1.335 -2.246 42 HG LEU 6 HG LEU 6 -3.897 -0.182 -2.219 43 1HD1 LEU 6 1HD1 LEU 6 -5.966 -0.460 -4.380 44 2HD1 LEU 6 2HD1 LEU 6 -4.818 0.900 -4.394 45 3HD1 LEU 6 3HD1 LEU 6 -4.215 -0.775 -4.434 46 1HD2 LEU 6 1HD2 LEU 6 -5.880 1.794 -2.701 47 2HD2 LEU 6 2HD2 LEU 6 -6.366 0.882 -1.251 48 3HD2 LEU 6 3HD2 LEU 6 -4.762 1.651 -1.324 49 H LYS 7 HN LYS 7 -6.240 -4.077 -0.315 50 HA LYS 7 HA LYS 7 -8.978 -3.754 0.177 51 1HB LYS 7 2HB LYS 7 -7.469 -5.788 -0.671 52 2HB LYS 7 3HB LYS 7 -7.554 -6.242 1.019 53 1HG LYS 7 2HG LYS 7 -9.633 -7.070 0.672 54 2HG LYS 7 3HG LYS 7 -10.199 -5.453 0.303 55 1HD LYS 7 2HD LYS 7 -10.634 -6.228 -1.791 56 2HD LYS 7 3HD LYS 7 -8.903 -6.174 -2.058 57 1HE LYS 7 2HE LYS 7 -9.832 -8.612 -0.623 58 2HE LYS 7 3HE LYS 7 -10.461 -8.458 -2.251 59 1HZ LYS 7 1HZ LYS 7 -8.478 -9.436 -2.644 60 2HZ LYS 7 2HZ LYS 7 -7.989 -7.882 -2.745 61 3HZ LYS 7 3HZ LYS 7 -7.712 -8.738 -1.383 62 H GLY 8 HN GLY 8 -6.304 -4.802 2.410 63 1HA GLY 8 1HA GLY 8 -7.781 -4.850 4.744 64 2HA GLY 8 2HA GLY 8 -6.060 -4.546 4.629 65 H ILE 9 HN ILE 9 -5.837 -2.112 3.341 66 HA ILE 9 HA ILE 9 -6.329 -0.302 5.362 67 HB ILE 9 HB ILE 9 -5.592 -0.130 2.478 68 1HG1 ILE 9 2HG1 ILE 9 -4.263 0.713 5.069 69 2HG1 ILE 9 3HG1 ILE 9 -3.885 -0.707 4.116 70 1HG2 ILE 9 1HG2 ILE 9 -6.203 2.293 4.194 71 2HG2 ILE 9 2HG2 ILE 9 -5.468 2.303 2.573 72 3HG2 ILE 9 3HG2 ILE 9 -7.144 1.744 2.786 73 1HD1 ILE 9 1HD1 ILE 9 -3.052 2.087 3.714 74 2HD1 ILE 9 2HD1 ILE 9 -2.345 0.590 3.061 75 3HD1 ILE 9 3HD1 ILE 9 -3.723 1.357 2.235 76 H PHE 10 HN PHE 10 -8.182 -0.873 2.296 77 HA PHE 10 HA PHE 10 -10.076 1.062 2.610 78 1HB PHE 10 2HB PHE 10 -10.094 -0.231 0.598 79 2HB PHE 10 3HB PHE 10 -9.913 -1.745 1.462 80 HD1 PHE 10 HD1 PHE 10 -12.270 0.709 0.185 81 HD2 PHE 10 HD2 PHE 10 -11.869 -2.830 2.491 82 HE1 PHE 10 HE1 PHE 10 -14.738 0.297 -0.018 83 HE2 PHE 10 HE2 PHE 10 -14.336 -3.243 2.288 84 HZ PHE 10 HZ PHE 10 -15.741 -1.674 1.036 85 H GLU 11 HN GLU 11 -10.264 -2.375 3.789 86 HA GLU 11 HA GLU 11 -12.717 -2.030 5.026 87 1HB GLU 11 2HB GLU 11 -10.672 -4.087 4.807 88 2HB GLU 11 3HB GLU 11 -11.267 -4.027 6.454 89 1HG GLU 11 2HG GLU 11 -13.657 -3.972 5.370 90 2HG GLU 11 3HG GLU 11 -12.853 -4.500 3.905 91 H LYS 12 HN LYS 12 -9.355 -1.462 6.118 92 HA LYS 12 HA LYS 12 -9.851 -1.237 8.840 93 1HB LYS 12 2HB LYS 12 -7.618 -1.425 7.803 94 2HB LYS 12 3HB LYS 12 -7.780 0.190 7.144 95 1HG LYS 12 2HG LYS 12 -7.996 1.125 9.443 96 2HG LYS 12 3HG LYS 12 -7.886 -0.487 10.122 97 1HD LYS 12 2HD LYS 12 -5.613 -0.613 8.752 98 2HD LYS 12 3HD LYS 12 -5.729 1.135 8.745 99 1HE LYS 12 2HE LYS 12 -4.411 0.469 10.687 100 2HE LYS 12 3HE LYS 12 -5.940 1.105 11.259 101 1HZ LYS 12 1HZ LYS 12 -5.914 -1.717 10.734 102 2HZ LYS 12 2HZ LYS 12 -4.967 -1.239 11.975 103 3HZ LYS 12 3HZ LYS 12 -6.564 -0.896 11.987 104 H TYR 13 HN TYR 13 -10.633 0.876 6.129 105 HA TYR 13 HA TYR 13 -11.214 3.082 7.946 106 1HB TYR 13 2HB TYR 13 -10.889 2.517 4.978 107 2HB TYR 13 3HB TYR 13 -11.933 3.859 5.402 108 HD1 TYR 13 HD1 TYR 13 -8.549 2.792 4.908 109 HD2 TYR 13 HD2 TYR 13 -10.950 5.715 6.908 110 HE1 TYR 13 HE1 TYR 13 -6.519 4.302 5.153 111 HE2 TYR 13 HE2 TYR 13 -8.912 7.215 7.146 112 HH TYR 13 HH TYR 13 -5.903 6.213 6.929 113 H ALA 14 HN ALA 14 -12.804 0.750 5.707 114 HA ALA 14 HA ALA 14 -15.365 1.905 5.920 115 1HB ALA 14 1HB ALA 14 -14.921 -1.026 5.395 116 2HB ALA 14 2HB ALA 14 -16.031 0.114 4.598 117 3HB ALA 14 3HB ALA 14 -14.290 0.167 4.235 118 H ALA 15 HN ALA 15 -13.448 -0.299 7.934 119 HA ALA 15 HA ALA 15 -15.684 -1.247 9.431 120 1HB ALA 15 1HB ALA 15 -14.073 -2.455 10.651 121 2HB ALA 15 2HB ALA 15 -13.351 -2.326 9.029 122 3HB ALA 15 3HB ALA 15 -12.797 -1.253 10.337 123 H LYS 16 HN LYS 16 -13.651 1.616 9.406 124 HA LYS 16 HA LYS 16 -13.757 2.360 12.059 125 1HB LYS 16 2HB LYS 16 -12.861 3.448 9.646 126 2HB LYS 16 3HB LYS 16 -14.041 4.608 10.223 127 1HG LYS 16 2HG LYS 16 -12.855 4.400 12.537 128 2HG LYS 16 3HG LYS 16 -11.562 3.596 11.670 129 1HD LYS 16 2HD LYS 16 -10.983 5.527 10.450 130 2HD LYS 16 3HD LYS 16 -12.579 6.235 10.604 131 1HE LYS 16 2HE LYS 16 -12.082 6.403 13.153 132 2HE LYS 16 3HE LYS 16 -10.416 6.044 12.742 133 1HZ LYS 16 1HZ LYS 16 -11.843 8.185 11.361 134 2HZ LYS 16 2HZ LYS 16 -11.153 8.454 12.816 135 3HZ LYS 16 3HZ LYS 16 -10.233 7.988 11.550 136 H GLU 17 HN GLU 17 -15.965 3.562 9.429 137 HA GLU 17 HA GLU 17 -17.988 3.772 11.522 138 1HB GLU 17 2HB GLU 17 -17.346 5.550 9.158 139 2HB GLU 17 3HB GLU 17 -18.975 5.525 9.806 140 1HG GLU 17 2HG GLU 17 -17.313 5.714 12.090 141 2HG GLU 17 3HG GLU 17 -16.557 6.769 10.913 142 H GLY 18 HN GLY 18 -19.898 2.657 11.226 143 1HA GLY 18 1HA GLY 18 -21.453 1.351 10.262 144 2HA GLY 18 2HA GLY 18 -21.027 2.066 8.720 145 H ASP 19 HN ASP 19 -21.676 -0.442 8.361 146 HA ASP 19 HA ASP 19 -19.976 -2.440 9.018 147 1HB ASP 19 2HB ASP 19 -22.218 -2.321 7.567 148 2HB ASP 19 3HB ASP 19 -21.105 -2.296 6.214 149 HA PRO 20 HA PRO 20 -16.397 -1.506 6.647 150 1HB PRO 20 2HB PRO 20 -15.090 -3.902 6.780 151 2HB PRO 20 3HB PRO 20 -15.046 -2.715 8.067 152 1HG PRO 20 2HG PRO 20 -16.548 -5.258 7.942 153 2HG PRO 20 3HG PRO 20 -16.152 -4.285 9.345 154 1HD PRO 20 2HD PRO 20 -18.695 -4.443 8.028 155 2HD PRO 20 3HD PRO 20 -18.267 -3.384 9.357 156 H ASN 21 HN ASN 21 -18.878 -3.320 5.586 157 HA ASN 21 HA ASN 21 -17.528 -4.216 3.219 158 1HB ASN 21 2HB ASN 21 -20.368 -4.433 4.299 159 2HB ASN 21 3HB ASN 21 -20.031 -4.855 2.632 160 1HD2 ASN 21 1HD2 ASN 21 -18.685 -5.359 5.893 161 2HD2 ASN 21 2HD2 ASN 21 -18.312 -7.042 5.719 162 H GLN 22 HN GLN 22 -20.035 -1.842 4.307 163 HA GLN 22 HA GLN 22 -20.025 -0.714 1.628 164 1HB GLN 22 2HB GLN 22 -22.031 0.632 2.728 165 2HB GLN 22 3HB GLN 22 -22.266 -1.009 2.158 166 1HG GLN 22 2HG GLN 22 -22.070 -1.921 4.389 167 2HG GLN 22 3HG GLN 22 -21.443 -0.416 5.030 168 1HE2 GLN 22 1HE2 GLN 22 -24.209 -2.250 4.191 169 2HE2 GLN 22 2HE2 GLN 22 -25.442 -1.135 4.678 170 H LEU 23 HN LEU 23 -19.065 1.252 1.227 171 HA LEU 23 HA LEU 23 -17.725 2.514 3.449 172 1HB LEU 23 2HB LEU 23 -17.625 2.725 0.464 173 2HB LEU 23 3HB LEU 23 -16.972 4.022 1.446 174 HG LEU 23 HG LEU 23 -15.432 2.091 0.592 175 1HD1 LEU 23 1HD1 LEU 23 -15.230 3.982 2.577 176 2HD1 LEU 23 2HD1 LEU 23 -14.816 2.476 3.431 177 3HD1 LEU 23 3HD1 LEU 23 -13.907 2.953 1.977 178 1HD2 LEU 23 1HD2 LEU 23 -16.510 0.146 1.296 179 2HD2 LEU 23 2HD2 LEU 23 -15.191 0.350 2.473 180 3HD2 LEU 23 3HD2 LEU 23 -16.855 0.803 2.914 181 H SER 24 HN SER 24 -17.736 5.091 3.301 182 HA SER 24 HA SER 24 -20.405 6.011 2.704 183 1HB SER 24 2HB SER 24 -19.119 6.314 5.455 184 2HB SER 24 3HB SER 24 -20.596 7.112 4.951 185 HG SER 24 HG SER 24 -21.721 5.270 5.145 186 H LYS 25 HN LYS 25 -20.516 8.453 2.720 187 HA LYS 25 HA LYS 25 -18.440 9.583 1.339 188 1HB LYS 25 2HB LYS 25 -20.794 10.409 1.493 189 2HB LYS 25 3HB LYS 25 -20.446 11.028 3.094 190 1HG LYS 25 2HG LYS 25 -18.374 12.181 1.822 191 2HG LYS 25 3HG LYS 25 -19.411 11.978 0.424 192 1HD LYS 25 2HD LYS 25 -20.330 13.314 3.011 193 2HD LYS 25 3HD LYS 25 -19.673 14.202 1.650 194 1HE LYS 25 2HE LYS 25 -21.485 13.339 0.180 195 2HE LYS 25 3HE LYS 25 -22.122 12.378 1.500 196 1HZ LYS 25 1HZ LYS 25 -21.853 15.300 1.613 197 2HZ LYS 25 2HZ LYS 25 -23.229 14.529 1.188 198 3HZ LYS 25 3HZ LYS 25 -22.621 14.345 2.692 199 H GLU 26 HN GLU 26 -19.215 10.049 4.862 200 HA GLU 26 HA GLU 26 -16.958 11.534 5.389 201 1HB GLU 26 2HB GLU 26 -19.144 10.393 6.851 202 2HB GLU 26 3HB GLU 26 -17.677 9.947 7.700 203 1HG GLU 26 2HG GLU 26 -17.234 12.637 7.021 204 2HG GLU 26 3HG GLU 26 -18.942 12.598 7.414 205 H GLU 27 HN GLU 27 -17.521 7.981 5.400 206 HA GLU 27 HA GLU 27 -15.137 7.281 6.606 207 1HB GLU 27 2HB GLU 27 -17.204 5.931 4.930 208 2HB GLU 27 3HB GLU 27 -15.636 5.149 4.955 209 1HG GLU 27 2HG GLU 27 -15.848 5.592 7.603 210 2HG GLU 27 3HG GLU 27 -17.560 5.624 7.229 211 H LEU 28 HN LEU 28 -15.991 7.304 3.064 212 HA LEU 28 HA LEU 28 -13.457 6.719 2.140 213 1HB LEU 28 2HB LEU 28 -15.776 6.868 0.976 214 2HB LEU 28 3HB LEU 28 -15.339 8.537 0.672 215 HG LEU 28 HG LEU 28 -13.773 8.008 -0.890 216 1HD1 LEU 28 1HD1 LEU 28 -13.268 5.428 0.610 217 2HD1 LEU 28 2HD1 LEU 28 -12.483 5.861 -0.928 218 3HD1 LEU 28 3HD1 LEU 28 -12.220 6.864 0.518 219 1HD2 LEU 28 1HD2 LEU 28 -14.490 6.093 -2.266 220 2HD2 LEU 28 2HD2 LEU 28 -15.516 5.529 -0.926 221 3HD2 LEU 28 3HD2 LEU 28 -15.859 7.087 -1.715 222 H LYS 29 HN LYS 29 -14.950 9.859 3.062 223 HA LYS 29 HA LYS 29 -13.126 11.605 2.085 224 1HB LYS 29 2HB LYS 29 -15.179 12.231 3.267 225 2HB LYS 29 3HB LYS 29 -14.503 11.677 4.786 226 1HG LYS 29 2HG LYS 29 -13.023 13.473 4.956 227 2HG LYS 29 3HG LYS 29 -12.869 13.656 3.220 228 1HD LYS 29 2HD LYS 29 -15.429 14.361 3.343 229 2HD LYS 29 3HD LYS 29 -15.081 14.648 5.036 230 1HE LYS 29 2HE LYS 29 -13.101 16.097 4.288 231 2HE LYS 29 3HE LYS 29 -13.688 15.935 2.644 232 1HZ LYS 29 1HZ LYS 29 -14.649 17.594 4.694 233 2HZ LYS 29 2HZ LYS 29 -15.019 17.609 3.104 234 3HZ LYS 29 3HZ LYS 29 -15.860 16.656 4.129 235 H LEU 30 HN LEU 30 -12.912 9.916 5.297 236 HA LEU 30 HA LEU 30 -10.435 10.895 5.995 237 1HB LEU 30 2HB LEU 30 -11.638 8.198 6.632 238 2HB LEU 30 3HB LEU 30 -10.308 8.955 7.485 239 HG LEU 30 HG LEU 30 -13.227 9.617 7.534 240 1HD1 LEU 30 1HD1 LEU 30 -11.970 10.085 10.008 241 2HD1 LEU 30 2HD1 LEU 30 -12.998 8.709 9.544 242 3HD1 LEU 30 3HD1 LEU 30 -11.232 8.605 9.350 243 1HD2 LEU 30 1HD2 LEU 30 -11.013 11.612 8.074 244 2HD2 LEU 30 2HD2 LEU 30 -12.322 11.737 6.874 245 3HD2 LEU 30 3HD2 LEU 30 -12.698 11.805 8.612 246 H LEU 31 HN LEU 31 -11.210 7.761 4.323 247 HA LEU 31 HA LEU 31 -8.636 6.924 3.933 248 1HB LEU 31 2HB LEU 31 -10.923 5.820 3.452 249 2HB LEU 31 3HB LEU 31 -10.785 6.555 1.866 250 HG LEU 31 HG LEU 31 -8.390 5.053 2.711 251 1HD1 LEU 31 1HD1 LEU 31 -10.729 3.851 3.454 252 2HD1 LEU 31 2HD1 LEU 31 -10.498 3.208 1.811 253 3HD1 LEU 31 3HD1 LEU 31 -9.223 2.998 3.036 254 1HD2 LEU 31 1HD2 LEU 31 -10.051 4.757 0.205 255 2HD2 LEU 31 2HD2 LEU 31 -8.876 6.074 0.437 256 3HD2 LEU 31 3HD2 LEU 31 -8.329 4.380 0.450 257 H LEU 32 HN LEU 32 -10.642 8.697 1.469 258 HA LEU 32 HA LEU 32 -8.652 9.153 -0.332 259 1HB LEU 32 2HB LEU 32 -10.894 11.048 0.379 260 2HB LEU 32 3HB LEU 32 -10.002 11.006 -1.128 261 HG LEU 32 HG LEU 32 -11.637 8.660 -0.145 262 1HD1 LEU 32 1HD1 LEU 32 -13.219 9.626 -2.055 263 2HD1 LEU 32 2HD1 LEU 32 -13.372 10.118 -0.351 264 3HD1 LEU 32 3HD1 LEU 32 -12.511 11.164 -1.506 265 1HD2 LEU 32 1HD2 LEU 32 -9.771 8.856 -2.181 266 2HD2 LEU 32 2HD2 LEU 32 -11.029 7.607 -2.012 267 3HD2 LEU 32 3HD2 LEU 32 -11.329 9.042 -3.021 268 H GLN 33 HN GLN 33 -9.042 10.496 2.880 269 HA GLN 33 HA GLN 33 -7.551 12.825 2.440 270 1HB GLN 33 2HB GLN 33 -9.079 11.822 4.504 271 2HB GLN 33 3HB GLN 33 -7.466 11.620 5.159 272 1HG GLN 33 2HG GLN 33 -7.130 14.122 4.273 273 2HG GLN 33 3HG GLN 33 -8.880 14.168 4.351 274 1HE2 GLN 33 1HE2 GLN 33 -9.885 14.403 6.237 275 2HE2 GLN 33 2HE2 GLN 33 -9.128 14.461 7.794 276 H THR 34 HN THR 34 -6.677 9.704 4.106 277 HA THR 34 HA THR 34 -3.870 10.397 3.896 278 HB THR 34 HB THR 34 -5.622 8.544 5.429 279 HG1 THR 34 HG1 THR 34 -2.926 9.668 5.728 280 1HG2 THR 34 1HG2 THR 34 -3.850 6.916 5.892 281 2HG2 THR 34 2HG2 THR 34 -4.141 6.910 4.136 282 3HG2 THR 34 3HG2 THR 34 -2.728 7.765 4.801 283 H GLU 35 HN GLU 35 -6.106 7.835 2.657 284 HA GLU 35 HA GLU 35 -4.316 6.364 1.297 285 1HB GLU 35 2HB GLU 35 -6.630 5.694 1.418 286 2HB GLU 35 3HB GLU 35 -7.169 7.137 0.581 287 1HG GLU 35 2HG GLU 35 -7.220 5.440 -1.088 288 2HG GLU 35 3HG GLU 35 -5.753 6.336 -1.430 289 H PHE 36 HN PHE 36 -6.190 9.156 -0.108 290 HA PHE 36 HA PHE 36 -3.852 9.887 -1.636 291 1HB PHE 36 2HB PHE 36 -6.554 8.958 -2.765 292 2HB PHE 36 3HB PHE 36 -5.444 9.920 -3.722 293 HD1 PHE 36 HD1 PHE 36 -6.577 6.841 -3.696 294 HD2 PHE 36 HD2 PHE 36 -2.841 8.762 -3.092 295 HE1 PHE 36 HE1 PHE 36 -5.386 4.752 -4.415 296 HE2 PHE 36 HE2 PHE 36 -1.650 6.673 -3.811 297 HZ PHE 36 HZ PHE 36 -2.937 4.693 -4.464 298 HA PRO 37 HA PRO 37 -6.181 13.455 -0.273 299 1HB PRO 37 2HB PRO 37 -4.030 14.986 0.433 300 2HB PRO 37 3HB PRO 37 -4.866 13.932 1.556 301 1HG PRO 37 2HG PRO 37 -2.244 13.540 0.247 302 2HG PRO 37 3HG PRO 37 -2.896 12.738 1.663 303 1HD PRO 37 2HD PRO 37 -2.707 11.658 -0.988 304 2HD PRO 37 3HD PRO 37 -3.462 10.902 0.401 305 H SER 38 HN SER 38 -3.642 13.060 -2.549 306 HA SER 38 HA SER 38 -3.853 15.622 -3.648 307 1HB SER 38 2HB SER 38 -2.026 13.726 -3.916 308 2HB SER 38 3HB SER 38 -3.023 13.197 -5.257 309 HG SER 38 HG SER 38 -2.070 14.713 -6.414 310 H LEU 39 HN LEU 39 -5.602 12.547 -4.094 311 HA LEU 39 HA LEU 39 -6.832 13.251 -6.538 312 1HB LEU 39 2HB LEU 39 -6.803 11.052 -4.676 313 2HB LEU 39 3HB LEU 39 -8.451 11.417 -5.145 314 HG LEU 39 HG LEU 39 -7.366 9.682 -6.546 315 1HD1 LEU 39 1HD1 LEU 39 -9.221 10.733 -7.532 316 2HD1 LEU 39 2HD1 LEU 39 -8.319 12.237 -7.838 317 3HD1 LEU 39 3HD1 LEU 39 -7.950 10.772 -8.778 318 1HD2 LEU 39 1HD2 LEU 39 -5.732 10.557 -8.308 319 2HD2 LEU 39 2HD2 LEU 39 -5.488 11.945 -7.221 320 3HD2 LEU 39 3HD2 LEU 39 -5.106 10.298 -6.662 321 H LEU 40 HN LEU 40 -7.326 14.151 -3.190 322 HA LEU 40 HA LEU 40 -10.073 14.850 -3.505 323 1HB LEU 40 2HB LEU 40 -8.001 15.458 -1.397 324 2HB LEU 40 3HB LEU 40 -9.661 16.013 -1.306 325 HG LEU 40 HG LEU 40 -8.868 13.096 -1.500 326 1HD1 LEU 40 1HD1 LEU 40 -9.327 14.860 0.902 327 2HD1 LEU 40 2HD1 LEU 40 -9.577 13.099 0.966 328 3HD1 LEU 40 3HD1 LEU 40 -7.974 13.756 0.558 329 1HD2 LEU 40 1HD2 LEU 40 -11.507 14.355 -0.708 330 2HD2 LEU 40 2HD2 LEU 40 -11.142 13.659 -2.305 331 3HD2 LEU 40 3HD2 LEU 40 -11.146 12.619 -0.860 332 H LYS 41 HN LYS 41 -6.951 16.332 -4.187 333 HA LYS 41 HA LYS 41 -7.897 19.006 -4.192 334 1HB LYS 41 2HB LYS 41 -5.752 19.581 -4.823 335 2HB LYS 41 3HB LYS 41 -5.481 18.076 -3.967 336 1HG LYS 41 2HG LYS 41 -4.435 17.309 -5.829 337 2HG LYS 41 3HG LYS 41 -6.006 17.242 -6.601 338 1HD LYS 41 2HD LYS 41 -4.597 19.907 -6.526 339 2HD LYS 41 3HD LYS 41 -3.979 18.692 -7.626 340 1HE LYS 41 2HE LYS 41 -6.680 18.496 -8.138 341 2HE LYS 41 3HE LYS 41 -6.560 20.193 -7.714 342 1HZ LYS 41 1HZ LYS 41 -4.698 18.980 -9.617 343 2HZ LYS 41 2HZ LYS 41 -6.149 19.554 -10.098 344 3HZ LYS 41 3HZ LYS 41 -5.058 20.561 -9.419 345 H GLY 42 HN GLY 42 -7.982 16.289 -6.445 346 1HA GLY 42 1HA GLY 42 -8.145 17.381 -8.905 347 2HA GLY 42 2HA GLY 42 -9.169 16.068 -8.358 348 H MET 43 HN MET 43 -10.153 17.812 -10.283 349 HA MET 43 HA MET 43 -11.530 19.971 -9.121 350 1HB MET 43 2HB MET 43 -11.977 18.436 -11.743 351 2HB MET 43 3HB MET 43 -12.705 19.987 -11.373 352 1HG MET 43 2HG MET 43 -10.485 21.055 -11.238 353 2HG MET 43 3HG MET 43 -9.687 19.507 -11.433 354 1HE MET 43 1HE MET 43 -8.348 20.750 -13.210 355 2HE MET 43 2HE MET 43 -8.935 21.181 -14.834 356 3HE MET 43 3HE MET 43 -9.321 22.222 -13.443 357 H SER 44 HN SER 44 -11.964 16.672 -8.728 358 HA SER 44 HA SER 44 -14.847 16.812 -8.762 359 1HB SER 44 2HB SER 44 -12.840 14.562 -8.399 360 2HB SER 44 3HB SER 44 -14.536 14.322 -8.029 361 HG SER 44 HG SER 44 -13.488 13.989 -10.376 362 H THR 45 HN THR 45 -15.548 17.984 -6.965 363 HA THR 45 HA THR 45 -14.252 18.001 -4.487 364 HB THR 45 HB THR 45 -16.334 19.138 -3.767 365 HG1 THR 45 HG1 THR 45 -17.348 18.409 -6.398 366 1HG2 THR 45 1HG2 THR 45 -15.553 20.874 -5.050 367 2HG2 THR 45 2HG2 THR 45 -15.024 19.771 -6.344 368 3HG2 THR 45 3HG2 THR 45 -16.715 20.326 -6.281 369 H LEU 46 HN LEU 46 -15.367 17.294 -2.377 370 HA LEU 46 HA LEU 46 -15.280 14.559 -2.241 371 1HB LEU 46 2HB LEU 46 -15.216 16.436 -0.438 372 2HB LEU 46 3HB LEU 46 -16.948 16.184 -0.351 373 HG LEU 46 HG LEU 46 -15.448 14.946 1.321 374 1HD1 LEU 46 1HD1 LEU 46 -16.945 12.725 0.475 375 2HD1 LEU 46 2HD1 LEU 46 -17.409 13.966 1.665 376 3HD1 LEU 46 3HD1 LEU 46 -17.865 14.157 -0.045 377 1HD2 LEU 46 1HD2 LEU 46 -14.321 12.991 0.690 378 2HD2 LEU 46 2HD2 LEU 46 -15.089 12.955 -0.916 379 3HD2 LEU 46 3HD2 LEU 46 -13.865 14.192 -0.543 380 H ASP 47 HN ASP 47 -18.302 16.576 -2.029 381 HA ASP 47 HA ASP 47 -20.103 14.626 -2.071 382 1HB ASP 47 2HB ASP 47 -20.011 17.389 -3.241 383 2HB ASP 47 3HB ASP 47 -21.346 16.378 -3.758 384 H GLU 48 HN GLU 48 -18.526 16.175 -4.963 385 HA GLU 48 HA GLU 48 -19.851 14.776 -6.898 386 1HB GLU 48 2HB GLU 48 -17.483 16.453 -6.694 387 2HB GLU 48 3HB GLU 48 -17.175 15.138 -7.810 388 1HG GLU 48 2HG GLU 48 -19.641 15.800 -8.692 389 2HG GLU 48 3HG GLU 48 -19.212 17.349 -7.994 390 H LEU 49 HN LEU 49 -16.842 13.921 -5.086 391 HA LEU 49 HA LEU 49 -16.342 11.562 -6.526 392 1HB LEU 49 2HB LEU 49 -15.024 13.079 -4.676 393 2HB LEU 49 3HB LEU 49 -15.463 11.677 -3.721 394 HG LEU 49 HG LEU 49 -14.467 10.409 -5.877 395 1HD1 LEU 49 1HD1 LEU 49 -13.882 13.018 -6.538 396 2HD1 LEU 49 2HD1 LEU 49 -12.362 12.443 -5.812 397 3HD1 LEU 49 3HD1 LEU 49 -13.078 11.568 -7.186 398 1HD2 LEU 49 1HD2 LEU 49 -13.384 9.631 -4.090 399 2HD2 LEU 49 2HD2 LEU 49 -12.163 10.882 -4.427 400 3HD2 LEU 49 3HD2 LEU 49 -13.461 11.199 -3.251 401 H PHE 50 HN PHE 50 -18.238 12.310 -3.558 402 HA PHE 50 HA PHE 50 -18.756 9.687 -2.820 403 1HB PHE 50 2HB PHE 50 -19.186 11.883 -1.561 404 2HB PHE 50 3HB PHE 50 -20.512 12.211 -2.659 405 HD1 PHE 50 HD1 PHE 50 -22.357 12.202 -1.218 406 HD2 PHE 50 HD2 PHE 50 -19.633 8.950 -1.113 407 HE1 PHE 50 HE1 PHE 50 -23.918 10.943 0.292 408 HE2 PHE 50 HE2 PHE 50 -21.194 7.691 0.397 409 HZ PHE 50 HZ PHE 50 -23.317 8.703 1.081 410 H GLU 51 HN GLU 51 -20.730 11.970 -4.849 411 HA GLU 51 HA GLU 51 -22.656 9.991 -5.381 412 1HB GLU 51 2HB GLU 51 -22.192 12.815 -6.023 413 2HB GLU 51 3HB GLU 51 -22.846 11.952 -7.401 414 1HG GLU 51 2HG GLU 51 -24.627 10.989 -5.812 415 2HG GLU 51 3HG GLU 51 -24.045 12.113 -4.600 416 H GLU 52 HN GLU 52 -19.778 11.285 -7.119 417 HA GLU 52 HA GLU 52 -20.242 9.983 -9.509 418 1HB GLU 52 2HB GLU 52 -18.592 11.799 -9.233 419 2HB GLU 52 3HB GLU 52 -17.610 10.787 -8.193 420 1HG GLU 52 2HG GLU 52 -17.868 9.155 -10.406 421 2HG GLU 52 3HG GLU 52 -17.902 10.736 -11.161 422 H LEU 53 HN LEU 53 -18.070 9.024 -6.747 423 HA LEU 53 HA LEU 53 -17.286 6.594 -7.755 424 1HB LEU 53 2HB LEU 53 -17.766 7.383 -4.878 425 2HB LEU 53 3HB LEU 53 -16.840 5.993 -5.409 426 HG LEU 53 HG LEU 53 -16.047 8.718 -6.380 427 1HD1 LEU 53 1HD1 LEU 53 -15.470 9.521 -4.395 428 2HD1 LEU 53 2HD1 LEU 53 -16.316 8.151 -3.635 429 3HD1 LEU 53 3HD1 LEU 53 -14.577 8.033 -3.999 430 1HD2 LEU 53 1HD2 LEU 53 -13.764 7.382 -5.815 431 2HD2 LEU 53 2HD2 LEU 53 -14.853 6.020 -6.172 432 3HD2 LEU 53 3HD2 LEU 53 -14.608 7.304 -7.381 433 H ASP 54 HN ASP 54 -20.114 7.314 -5.593 434 HA ASP 54 HA ASP 54 -21.018 4.691 -5.601 435 1HB ASP 54 2HB ASP 54 -21.662 6.857 -4.171 436 2HB ASP 54 3HB ASP 54 -22.911 7.042 -5.386 437 H LYS 55 HN LYS 55 -20.995 4.004 -7.880 438 HA LYS 55 HA LYS 55 -22.865 5.418 -9.623 439 1HB LYS 55 2HB LYS 55 -21.772 4.272 -11.448 440 2HB LYS 55 3HB LYS 55 -20.571 5.062 -10.447 441 1HG LYS 55 2HG LYS 55 -19.530 3.021 -10.492 442 2HG LYS 55 3HG LYS 55 -20.659 2.618 -9.213 443 1HD LYS 55 2HD LYS 55 -22.285 1.814 -11.014 444 2HD LYS 55 3HD LYS 55 -21.011 2.054 -12.193 445 1HE LYS 55 2HE LYS 55 -19.540 0.473 -10.894 446 2HE LYS 55 3HE LYS 55 -20.854 0.202 -9.766 447 1HZ LYS 55 1HZ LYS 55 -21.660 -0.142 -12.463 448 2HZ LYS 55 2HZ LYS 55 -20.443 -1.152 -12.056 449 3HZ LYS 55 3HZ LYS 55 -21.829 -1.155 -11.192 450 H ASN 56 HN ASN 56 -22.815 2.914 -7.373 451 HA ASN 56 HA ASN 56 -24.388 1.074 -8.851 452 1HB ASN 56 2HB ASN 56 -23.331 1.325 -6.046 453 2HB ASN 56 3HB ASN 56 -24.777 0.351 -6.229 454 1HD2 ASN 56 1HD2 ASN 56 -24.685 -1.120 -8.259 455 2HD2 ASN 56 2HD2 ASN 56 -23.249 -2.070 -8.442 456 H GLY 57 HN GLY 57 -24.904 4.079 -7.255 457 1HA GLY 57 1HA GLY 57 -26.739 5.250 -6.702 458 2HA GLY 57 2HA GLY 57 -27.660 4.148 -7.706 459 H ASP 58 HN ASP 58 -25.795 3.747 -4.604 460 HA ASP 58 HA ASP 58 -28.287 2.777 -3.449 461 1HB ASP 58 2HB ASP 58 -26.740 1.241 -2.047 462 2HB ASP 58 3HB ASP 58 -27.030 0.783 -3.713 463 H GLY 59 HN GLY 59 -24.844 3.756 -2.731 464 1HA GLY 59 1HA GLY 59 -24.839 5.976 -1.475 465 2HA GLY 59 2HA GLY 59 -25.792 5.109 -0.286 466 H GLU 60 HN GLU 60 -23.990 2.648 -1.457 467 HA GLU 60 HA GLU 60 -21.897 3.160 0.503 468 1HB GLU 60 2HB GLU 60 -22.808 0.465 -0.591 469 2HB GLU 60 3HB GLU 60 -21.723 0.735 0.758 470 1HG GLU 60 2HG GLU 60 -24.712 1.180 0.611 471 2HG GLU 60 3HG GLU 60 -23.788 0.321 1.828 472 H VAL 61 HN VAL 61 -19.742 3.141 -0.115 473 HA VAL 61 HA VAL 61 -19.273 2.645 -2.967 474 HB VAL 61 HB VAL 61 -17.878 4.372 -0.920 475 1HG1 VAL 61 1HG1 VAL 61 -16.941 3.356 -3.572 476 2HG1 VAL 61 2HG1 VAL 61 -16.584 5.047 -3.148 477 3HG1 VAL 61 3HG1 VAL 61 -16.020 3.728 -2.095 478 1HG2 VAL 61 1HG2 VAL 61 -18.764 6.197 -1.999 479 2HG2 VAL 61 2HG2 VAL 61 -18.894 5.354 -3.561 480 3HG2 VAL 61 3HG2 VAL 61 -20.071 5.018 -2.269 481 H SER 62 HN SER 62 -19.475 0.277 -1.971 482 HA SER 62 HA SER 62 -17.582 -0.760 -0.349 483 1HB SER 62 2HB SER 62 -18.065 -2.621 -2.516 484 2HB SER 62 3HB SER 62 -18.675 -2.666 -0.875 485 HG SER 62 HG SER 62 -19.848 -1.444 -3.199 486 H PHE 63 HN PHE 63 -15.929 -2.612 -1.397 487 HA PHE 63 HA PHE 63 -13.826 -1.098 -2.448 488 1HB PHE 63 2HB PHE 63 -13.807 -3.283 -1.073 489 2HB PHE 63 3HB PHE 63 -14.356 -4.129 -2.507 490 HD1 PHE 63 HD1 PHE 63 -12.683 -5.386 -3.452 491 HD2 PHE 63 HD2 PHE 63 -11.689 -1.590 -1.836 492 HE1 PHE 63 HE1 PHE 63 -10.301 -5.701 -4.178 493 HE2 PHE 63 HE2 PHE 63 -9.307 -1.905 -2.562 494 HZ PHE 63 HZ PHE 63 -8.642 -3.956 -3.724 495 H GLU 64 HN GLU 64 -16.557 -2.675 -3.954 496 HA GLU 64 HA GLU 64 -15.368 -3.287 -6.395 497 1HB GLU 64 2HB GLU 64 -18.263 -2.469 -6.252 498 2HB GLU 64 3HB GLU 64 -17.531 -3.808 -7.114 499 1HG GLU 64 2HG GLU 64 -18.248 -3.605 -4.183 500 2HG GLU 64 3HG GLU 64 -18.617 -4.888 -5.318 501 H GLU 65 HN GLU 65 -17.359 -0.431 -5.343 502 HA GLU 65 HA GLU 65 -17.020 0.901 -7.775 503 1HB GLU 65 2HB GLU 65 -17.786 1.910 -5.003 504 2HB GLU 65 3HB GLU 65 -17.851 2.905 -6.444 505 1HG GLU 65 2HG GLU 65 -19.361 1.100 -7.486 506 2HG GLU 65 3HG GLU 65 -19.434 0.354 -5.902 507 H PHE 66 HN PHE 66 -15.022 0.529 -4.906 508 HA PHE 66 HA PHE 66 -13.534 2.865 -5.040 509 1HB PHE 66 2HB PHE 66 -13.629 0.937 -3.287 510 2HB PHE 66 3HB PHE 66 -12.600 0.014 -4.365 511 HD1 PHE 66 HD1 PHE 66 -10.423 -0.083 -3.649 512 HD2 PHE 66 HD2 PHE 66 -12.583 3.522 -3.060 513 HE1 PHE 66 HE1 PHE 66 -8.393 0.964 -2.608 514 HE2 PHE 66 HE2 PHE 66 -10.553 4.569 -2.019 515 HZ PHE 66 HZ PHE 66 -8.482 3.277 -1.806 516 H GLN 67 HN GLN 67 -13.254 -0.242 -6.827 517 HA GLN 67 HA GLN 67 -10.742 0.221 -7.877 518 1HB GLN 67 2HB GLN 67 -13.006 -1.288 -9.248 519 2HB GLN 67 3HB GLN 67 -11.286 -1.538 -9.472 520 1HG GLN 67 2HG GLN 67 -11.212 -2.041 -6.908 521 2HG GLN 67 3HG GLN 67 -12.958 -2.163 -7.008 522 1HE2 GLN 67 1HE2 GLN 67 -10.060 -3.230 -8.787 523 2HE2 GLN 67 2HE2 GLN 67 -10.571 -4.859 -9.082 524 H VAL 68 HN VAL 68 -13.689 1.893 -8.402 525 HA VAL 68 HA VAL 68 -13.251 2.556 -11.146 526 HB VAL 68 HB VAL 68 -15.009 3.887 -9.078 527 1HG1 VAL 68 1HG1 VAL 68 -15.013 3.882 -12.110 528 2HG1 VAL 68 2HG1 VAL 68 -16.388 4.437 -11.124 529 3HG1 VAL 68 3HG1 VAL 68 -14.819 5.272 -11.016 530 1HG2 VAL 68 1HG2 VAL 68 -15.155 1.241 -9.758 531 2HG2 VAL 68 2HG2 VAL 68 -16.534 2.233 -9.229 532 3HG2 VAL 68 3HG2 VAL 68 -16.236 1.976 -10.965 533 H LEU 69 HN LEU 69 -12.451 3.931 -7.939 534 HA LEU 69 HA LEU 69 -11.544 6.403 -9.034 535 1HB LEU 69 2HB LEU 69 -12.456 5.868 -6.683 536 2HB LEU 69 3HB LEU 69 -10.839 5.291 -6.332 537 HG LEU 69 HG LEU 69 -9.882 7.433 -6.584 538 1HD1 LEU 69 1HD1 LEU 69 -12.445 8.180 -7.985 539 2HD1 LEU 69 2HD1 LEU 69 -11.338 9.408 -7.327 540 3HD1 LEU 69 3HD1 LEU 69 -10.769 8.277 -8.578 541 1HD2 LEU 69 1HD2 LEU 69 -12.081 8.723 -5.322 542 2HD2 LEU 69 2HD2 LEU 69 -12.079 7.017 -4.812 543 3HD2 LEU 69 3HD2 LEU 69 -10.625 8.018 -4.580 544 H VAL 70 HN VAL 70 -10.109 3.241 -8.156 545 HA VAL 70 HA VAL 70 -7.454 3.906 -8.176 546 HB VAL 70 HB VAL 70 -9.056 1.479 -8.846 547 1HG1 VAL 70 1HG1 VAL 70 -7.370 1.214 -10.493 548 2HG1 VAL 70 2HG1 VAL 70 -6.097 1.808 -9.399 549 3HG1 VAL 70 3HG1 VAL 70 -6.852 0.223 -9.108 550 1HG2 VAL 70 1HG2 VAL 70 -7.123 2.350 -6.710 551 2HG2 VAL 70 2HG2 VAL 70 -8.773 1.702 -6.551 552 3HG2 VAL 70 3HG2 VAL 70 -7.429 0.619 -6.988 553 H LYS 71 HN LYS 71 -9.777 3.953 -10.797 554 HA LYS 71 HA LYS 71 -7.899 3.672 -12.900 555 1HB LYS 71 2HB LYS 71 -10.638 3.613 -12.678 556 2HB LYS 71 3HB LYS 71 -10.381 5.162 -13.455 557 1HG LYS 71 2HG LYS 71 -8.640 3.653 -14.916 558 2HG LYS 71 3HG LYS 71 -9.785 2.403 -14.471 559 1HD LYS 71 2HD LYS 71 -11.584 3.452 -15.593 560 2HD LYS 71 3HD LYS 71 -10.833 5.035 -15.535 561 1HE LYS 71 2HE LYS 71 -9.057 4.199 -17.142 562 2HE LYS 71 3HE LYS 71 -9.927 2.682 -17.261 563 1HZ LYS 71 1HZ LYS 71 -10.411 4.491 -18.948 564 2HZ LYS 71 2HZ LYS 71 -11.688 3.708 -18.298 565 3HZ LYS 71 3HZ LYS 71 -11.298 5.207 -17.779 566 H LYS 72 HN LYS 72 -9.464 6.486 -11.246 567 HA LYS 72 HA LYS 72 -8.095 8.385 -12.838 568 1HB LYS 72 2HB LYS 72 -9.553 8.625 -10.191 569 2HB LYS 72 3HB LYS 72 -8.935 9.986 -11.105 570 1HG LYS 72 2HG LYS 72 -11.144 9.877 -11.884 571 2HG LYS 72 3HG LYS 72 -10.302 8.955 -13.114 572 1HD LYS 72 2HD LYS 72 -11.074 6.876 -12.285 573 2HD LYS 72 3HD LYS 72 -11.386 7.513 -10.682 574 1HE LYS 72 2HE LYS 72 -13.557 7.298 -11.612 575 2HE LYS 72 3HE LYS 72 -13.203 9.003 -11.812 576 1HZ LYS 72 1HZ LYS 72 -12.856 6.937 -13.874 577 2HZ LYS 72 2HZ LYS 72 -14.040 8.060 -13.831 578 3HZ LYS 72 3HZ LYS 72 -12.490 8.517 -14.064 579 H ILE 73 HN ILE 73 -7.393 6.608 -9.835 580 HA ILE 73 HA ILE 73 -5.201 8.290 -9.124 581 HB ILE 73 HB ILE 73 -6.075 5.556 -8.189 582 1HG1 ILE 73 2HG1 ILE 73 -6.279 8.004 -6.501 583 2HG1 ILE 73 3HG1 ILE 73 -7.414 7.857 -7.828 584 1HG2 ILE 73 1HG2 ILE 73 -3.623 7.046 -7.686 585 2HG2 ILE 73 2HG2 ILE 73 -4.528 6.703 -6.192 586 3HG2 ILE 73 3HG2 ILE 73 -4.055 5.370 -7.272 587 1HD1 ILE 73 1HD1 ILE 73 -8.479 6.015 -6.910 588 2HD1 ILE 73 2HD1 ILE 73 -6.994 5.410 -6.139 589 3HD1 ILE 73 3HD1 ILE 73 -7.888 6.765 -5.408 590 H SER 74 HN SER 74 -5.730 6.046 -11.615 591 HA SER 74 HA SER 74 -3.025 5.069 -11.581 592 1HB SER 74 2HB SER 74 -3.702 3.551 -13.262 593 2HB SER 74 3HB SER 74 -5.122 3.703 -12.246 594 HG SER 74 HG SER 74 -6.005 5.233 -13.773 595 H GLN 75 HN GLN 75 -5.209 7.162 -13.566 596 HA GLN 75 HA GLN 75 -3.233 7.727 -15.477 597 1HB GLN 75 2HB GLN 75 -5.993 8.172 -15.183 598 2HB GLN 75 3HB GLN 75 -5.312 9.787 -15.189 599 1HG GLN 75 2HG GLN 75 -5.572 9.425 -17.483 600 2HG GLN 75 3HG GLN 75 -3.914 8.903 -17.264 601 1HE2 GLN 75 1HE2 GLN 75 -7.157 7.521 -16.718 602 2HE2 GLN 75 2HE2 GLN 75 -6.893 6.015 -17.532 Start of MODEL 22 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.764 0.878 -1.812 3 1HB LYS 1 2HB LYS 1 3.815 -0.313 -0.011 4 2HB LYS 1 3HB LYS 1 4.138 -0.394 -1.731 5 1HG LYS 1 2HG LYS 1 3.259 2.207 -1.514 6 2HG LYS 1 3HG LYS 1 3.992 1.990 0.063 7 1HD LYS 1 2HD LYS 1 6.091 2.071 -0.805 8 2HD LYS 1 3HD LYS 1 5.714 0.852 -2.006 9 1HE LYS 1 2HE LYS 1 4.328 3.062 -2.980 10 2HE LYS 1 3HE LYS 1 5.744 3.809 -2.268 11 1HZ LYS 1 1HZ LYS 1 5.974 1.490 -4.039 12 2HZ LYS 1 2HZ LYS 1 5.929 3.014 -4.624 13 3HZ LYS 1 3HZ LYS 1 7.135 2.560 -3.621 14 H SER 2 HN SER 2 2.537 -2.470 -0.614 15 HA SER 2 HA SER 2 2.029 -3.506 -3.199 16 1HB SER 2 2HB SER 2 2.189 -5.227 -0.720 17 2HB SER 2 3HB SER 2 2.782 -5.567 -2.333 18 HG SER 2 HG SER 2 3.953 -3.994 -0.263 19 HA PRO 3 HA PRO 3 -2.154 -4.582 -2.671 20 1HB PRO 3 2HB PRO 3 -2.407 -6.883 -4.124 21 2HB PRO 3 3HB PRO 3 -2.359 -5.290 -4.852 22 1HG PRO 3 2HG PRO 3 -0.248 -7.358 -4.777 23 2HG PRO 3 3HG PRO 3 -0.385 -5.967 -5.835 24 1HD PRO 3 2HD PRO 3 1.350 -6.234 -3.566 25 2HD PRO 3 3HD PRO 3 1.128 -4.803 -4.554 26 H GLU 4 HN GLU 4 -0.179 -7.484 -2.278 27 HA GLU 4 HA GLU 4 -2.000 -8.836 -0.747 28 1HB GLU 4 2HB GLU 4 0.626 -9.233 -1.650 29 2HB GLU 4 3HB GLU 4 0.784 -9.291 0.095 30 1HG GLU 4 2HG GLU 4 -1.542 -10.791 -1.053 31 2HG GLU 4 3HG GLU 4 0.042 -11.439 -1.429 32 H GLU 5 HN GLU 5 0.425 -6.350 0.162 33 HA GLU 5 HA GLU 5 0.137 -6.726 2.918 34 1HB GLU 5 2HB GLU 5 1.447 -4.792 1.094 35 2HB GLU 5 3HB GLU 5 0.946 -4.087 2.618 36 1HG GLU 5 2HG GLU 5 2.106 -6.636 3.239 37 2HG GLU 5 3HG GLU 5 3.181 -5.864 2.089 38 H LEU 6 HN LEU 6 -1.617 -4.822 0.464 39 HA LEU 6 HA LEU 6 -2.953 -3.099 2.208 40 1HB LEU 6 2HB LEU 6 -3.373 -4.093 -0.578 41 2HB LEU 6 3HB LEU 6 -4.673 -3.221 0.211 42 HG LEU 6 HG LEU 6 -1.903 -2.047 0.133 43 1HD1 LEU 6 1HD1 LEU 6 -3.386 -0.905 -1.980 44 2HD1 LEU 6 2HD1 LEU 6 -1.900 -1.879 -2.077 45 3HD1 LEU 6 3HD1 LEU 6 -3.491 -2.670 -2.181 46 1HD2 LEU 6 1HD2 LEU 6 -4.395 -1.232 1.176 47 2HD2 LEU 6 2HD2 LEU 6 -2.882 -0.299 1.081 48 3HD2 LEU 6 3HD2 LEU 6 -4.074 -0.199 -0.237 49 H LYS 7 HN LYS 7 -3.691 -6.424 1.033 50 HA LYS 7 HA LYS 7 -6.239 -6.562 2.180 51 1HB LYS 7 2HB LYS 7 -4.877 -8.091 0.454 52 2HB LYS 7 3HB LYS 7 -4.567 -9.020 1.907 53 1HG LYS 7 2HG LYS 7 -7.396 -8.099 1.411 54 2HG LYS 7 3HG LYS 7 -6.780 -9.405 0.418 55 1HD LYS 7 2HD LYS 7 -6.089 -10.612 2.554 56 2HD LYS 7 3HD LYS 7 -6.892 -9.351 3.469 57 1HE LYS 7 2HE LYS 7 -9.047 -9.979 2.713 58 2HE LYS 7 3HE LYS 7 -8.426 -10.778 1.282 59 1HZ LYS 7 1HZ LYS 7 -9.087 -12.378 2.900 60 2HZ LYS 7 2HZ LYS 7 -7.463 -12.455 2.744 61 3HZ LYS 7 3HZ LYS 7 -8.124 -11.727 4.047 62 H GLY 8 HN GLY 8 -2.997 -7.666 3.382 63 1HA GLY 8 1HA GLY 8 -3.851 -8.666 5.833 64 2HA GLY 8 2HA GLY 8 -2.252 -8.050 5.466 65 H ILE 9 HN ILE 9 -2.501 -5.376 5.041 66 HA ILE 9 HA ILE 9 -2.738 -4.328 7.578 67 HB ILE 9 HB ILE 9 -2.668 -3.175 4.818 68 1HG1 ILE 9 2HG1 ILE 9 -0.802 -3.240 7.196 69 2HG1 ILE 9 3HG1 ILE 9 -0.576 -3.977 5.622 70 1HG2 ILE 9 1HG2 ILE 9 -4.186 -1.729 6.141 71 2HG2 ILE 9 2HG2 ILE 9 -2.889 -1.511 7.341 72 3HG2 ILE 9 3HG2 ILE 9 -2.669 -0.920 5.676 73 1HD1 ILE 9 1HD1 ILE 9 0.753 -1.898 5.820 74 2HD1 ILE 9 2HD1 ILE 9 -0.493 -1.726 4.561 75 3HD1 ILE 9 3HD1 ILE 9 -0.730 -0.974 6.157 76 H PHE 10 HN PHE 10 -5.125 -4.343 4.856 77 HA PHE 10 HA PHE 10 -7.078 -2.831 6.015 78 1HB PHE 10 2HB PHE 10 -7.003 -3.834 3.684 79 2HB PHE 10 3HB PHE 10 -7.264 -5.426 4.369 80 HD1 PHE 10 HD1 PHE 10 -9.452 -6.148 5.024 81 HD2 PHE 10 HD2 PHE 10 -8.830 -2.163 3.705 82 HE1 PHE 10 HE1 PHE 10 -11.933 -5.827 4.824 83 HE2 PHE 10 HE2 PHE 10 -11.311 -1.842 3.505 84 HZ PHE 10 HZ PHE 10 -12.833 -3.678 4.067 85 H GLU 11 HN GLU 11 -6.755 -6.454 6.188 86 HA GLU 11 HA GLU 11 -8.894 -6.753 7.921 87 1HB GLU 11 2HB GLU 11 -6.827 -8.412 6.727 88 2HB GLU 11 3HB GLU 11 -7.048 -8.870 8.404 89 1HG GLU 11 2HG GLU 11 -9.675 -8.569 7.582 90 2HG GLU 11 3HG GLU 11 -8.922 -9.139 6.106 91 H LYS 12 HN LYS 12 -5.393 -6.176 8.468 92 HA LYS 12 HA LYS 12 -5.348 -6.710 11.195 93 1HB LYS 12 2HB LYS 12 -3.389 -6.402 9.639 94 2HB LYS 12 3HB LYS 12 -3.671 -4.674 9.703 95 1HG LYS 12 2HG LYS 12 -3.465 -4.782 12.227 96 2HG LYS 12 3HG LYS 12 -3.065 -6.482 12.090 97 1HD LYS 12 2HD LYS 12 -1.252 -5.497 10.323 98 2HD LYS 12 3HD LYS 12 -1.431 -4.076 11.332 99 1HE LYS 12 2HE LYS 12 0.203 -5.123 12.580 100 2HE LYS 12 3HE LYS 12 -1.179 -5.924 13.302 101 1HZ LYS 12 1HZ LYS 12 -0.790 -7.511 11.275 102 2HZ LYS 12 2HZ LYS 12 0.742 -6.963 11.412 103 3HZ LYS 12 3HZ LYS 12 0.023 -7.702 12.678 104 H TYR 13 HN TYR 13 -6.718 -4.049 9.344 105 HA TYR 13 HA TYR 13 -6.953 -2.416 11.749 106 1HB TYR 13 2HB TYR 13 -7.088 -2.192 8.752 107 2HB TYR 13 3HB TYR 13 -8.264 -1.193 9.583 108 HD1 TYR 13 HD1 TYR 13 -7.607 0.795 10.758 109 HD2 TYR 13 HD2 TYR 13 -4.639 -1.840 9.160 110 HE1 TYR 13 HE1 TYR 13 -5.817 2.557 11.157 111 HE2 TYR 13 HE2 TYR 13 -2.860 -0.070 9.564 112 HH TYR 13 HH TYR 13 -3.127 2.742 9.740 113 H ALA 14 HN ALA 14 -8.949 -4.154 9.292 114 HA ALA 14 HA ALA 14 -11.421 -3.314 10.328 115 1HB ALA 14 1HB ALA 14 -10.912 -5.932 8.891 116 2HB ALA 14 2HB ALA 14 -12.337 -4.868 8.802 117 3HB ALA 14 3HB ALA 14 -10.805 -4.370 8.044 118 H ALA 15 HN ALA 15 -9.005 -5.565 11.450 119 HA ALA 15 HA ALA 15 -10.891 -7.114 12.996 120 1HB ALA 15 1HB ALA 15 -7.933 -7.137 12.441 121 2HB ALA 15 2HB ALA 15 -8.547 -7.978 13.885 122 3HB ALA 15 3HB ALA 15 -9.131 -8.442 12.269 123 H LYS 16 HN LYS 16 -8.989 -4.188 13.266 124 HA LYS 16 HA LYS 16 -8.478 -4.129 15.977 125 1HB LYS 16 2HB LYS 16 -8.222 -2.406 13.783 126 2HB LYS 16 3HB LYS 16 -9.239 -1.529 14.909 127 1HG LYS 16 2HG LYS 16 -7.547 -2.096 16.744 128 2HG LYS 16 3HG LYS 16 -6.504 -2.750 15.497 129 1HD LYS 16 2HD LYS 16 -6.032 -0.657 14.582 130 2HD LYS 16 3HD LYS 16 -7.582 0.019 15.042 131 1HE LYS 16 2HE LYS 16 -5.732 -0.774 17.278 132 2HE LYS 16 3HE LYS 16 -5.278 0.634 16.339 133 1HZ LYS 16 1HZ LYS 16 -6.697 1.172 18.213 134 2HZ LYS 16 2HZ LYS 16 -7.408 1.591 16.803 135 3HZ LYS 16 3HZ LYS 16 -7.905 0.257 17.602 136 H GLU 17 HN GLU 17 -11.284 -2.535 14.293 137 HA GLU 17 HA GLU 17 -12.772 -3.053 16.750 138 1HB GLU 17 2HB GLU 17 -12.795 -0.634 14.912 139 2HB GLU 17 3HB GLU 17 -14.126 -0.962 16.003 140 1HG GLU 17 2HG GLU 17 -11.836 -1.271 17.621 141 2HG GLU 17 3HG GLU 17 -11.446 0.098 16.599 142 H GLY 18 HN GLY 18 -14.692 -4.172 16.539 143 1HA GLY 18 1HA GLY 18 -16.432 -5.220 15.572 144 2HA GLY 18 2HA GLY 18 -16.318 -4.096 14.233 145 H ASP 19 HN ASP 19 -17.033 -6.447 13.333 146 HA ASP 19 HA ASP 19 -15.135 -8.405 13.067 147 1HB ASP 19 2HB ASP 19 -17.714 -8.190 12.354 148 2HB ASP 19 3HB ASP 19 -17.028 -7.787 10.793 149 HA PRO 20 HA PRO 20 -12.453 -6.533 10.127 150 1HB PRO 20 2HB PRO 20 -10.964 -8.709 9.409 151 2HB PRO 20 3HB PRO 20 -10.658 -7.774 10.860 152 1HG PRO 20 2HG PRO 20 -11.912 -10.439 10.603 153 2HG PRO 20 3HG PRO 20 -11.219 -9.684 12.024 154 1HD PRO 20 2HD PRO 20 -14.008 -9.959 11.415 155 2HD PRO 20 3HD PRO 20 -13.312 -9.104 12.777 156 H ASN 21 HN ASN 21 -14.975 -8.446 9.397 157 HA ASN 21 HA ASN 21 -14.275 -8.652 6.611 158 1HB ASN 21 2HB ASN 21 -16.618 -9.610 8.312 159 2HB ASN 21 3HB ASN 21 -16.711 -9.664 6.563 160 1HD2 ASN 21 1HD2 ASN 21 -14.839 -10.696 9.369 161 2HD2 ASN 21 2HD2 ASN 21 -14.159 -12.133 8.683 162 H GLN 22 HN GLN 22 -15.050 -6.118 8.416 163 HA GLN 22 HA GLN 22 -16.445 -4.817 6.327 164 1HB GLN 22 2HB GLN 22 -18.281 -4.031 8.073 165 2HB GLN 22 3HB GLN 22 -18.498 -5.513 7.163 166 1HG GLN 22 2HG GLN 22 -17.386 -6.753 9.119 167 2HG GLN 22 3HG GLN 22 -17.468 -5.255 10.024 168 1HE2 GLN 22 1HE2 GLN 22 -18.855 -6.032 11.553 169 2HE2 GLN 22 2HE2 GLN 22 -20.527 -6.383 11.263 170 H LEU 23 HN LEU 23 -15.777 -2.692 6.285 171 HA LEU 23 HA LEU 23 -14.203 -1.811 8.569 172 1HB LEU 23 2HB LEU 23 -14.426 -0.914 5.703 173 2HB LEU 23 3HB LEU 23 -13.589 0.035 6.915 174 HG LEU 23 HG LEU 23 -12.331 -1.694 5.345 175 1HD1 LEU 23 1HD1 LEU 23 -11.785 -0.417 7.842 176 2HD1 LEU 23 2HD1 LEU 23 -11.023 -2.026 7.845 177 3HD1 LEU 23 3HD1 LEU 23 -10.658 -0.870 6.541 178 1HD2 LEU 23 1HD2 LEU 23 -11.913 -3.830 6.491 179 2HD2 LEU 23 2HD2 LEU 23 -13.146 -3.413 7.704 180 3HD2 LEU 23 3HD2 LEU 23 -13.615 -3.650 6.004 181 H SER 24 HN SER 24 -14.639 0.083 9.743 182 HA SER 24 HA SER 24 -17.323 1.113 9.254 183 1HB SER 24 2HB SER 24 -15.750 0.698 11.818 184 2HB SER 24 3HB SER 24 -17.112 1.800 11.766 185 HG SER 24 HG SER 24 -17.068 -1.046 11.484 186 H LYS 25 HN LYS 25 -17.607 3.478 10.030 187 HA LYS 25 HA LYS 25 -15.865 5.117 8.665 188 1HB LYS 25 2HB LYS 25 -18.162 5.723 9.226 189 2HB LYS 25 3HB LYS 25 -17.768 5.772 10.933 190 1HG LYS 25 2HG LYS 25 -15.837 7.459 9.956 191 2HG LYS 25 3HG LYS 25 -17.099 7.730 8.772 192 1HD LYS 25 2HD LYS 25 -18.048 9.160 10.259 193 2HD LYS 25 3HD LYS 25 -18.496 7.755 11.206 194 1HE LYS 25 2HE LYS 25 -16.791 8.066 12.750 195 2HE LYS 25 3HE LYS 25 -15.680 8.714 11.561 196 1HZ LYS 25 1HZ LYS 25 -17.812 10.467 11.779 197 2HZ LYS 25 2HZ LYS 25 -17.324 10.114 13.296 198 3HZ LYS 25 3HZ LYS 25 -16.258 10.716 12.215 199 H GLU 26 HN GLU 26 -16.139 4.747 12.275 200 HA GLU 26 HA GLU 26 -13.949 6.267 12.859 201 1HB GLU 26 2HB GLU 26 -15.766 4.555 14.250 202 2HB GLU 26 3HB GLU 26 -14.155 4.059 14.732 203 1HG GLU 26 2HG GLU 26 -13.991 6.860 14.767 204 2HG GLU 26 3HG GLU 26 -15.613 6.552 15.354 205 H GLU 27 HN GLU 27 -14.183 2.769 12.037 206 HA GLU 27 HA GLU 27 -11.564 2.134 12.663 207 1HB GLU 27 2HB GLU 27 -13.831 0.900 11.287 208 2HB GLU 27 3HB GLU 27 -12.325 0.484 10.494 209 1HG GLU 27 2HG GLU 27 -11.860 0.308 13.326 210 2HG GLU 27 3HG GLU 27 -13.377 -0.509 13.004 211 H LEU 28 HN LEU 28 -13.060 2.904 9.434 212 HA LEU 28 HA LEU 28 -10.726 2.839 7.972 213 1HB LEU 28 2HB LEU 28 -13.211 3.036 7.285 214 2HB LEU 28 3HB LEU 28 -12.961 4.766 7.412 215 HG LEU 28 HG LEU 28 -11.736 4.884 5.512 216 1HD1 LEU 28 1HD1 LEU 28 -9.839 3.631 6.368 217 2HD1 LEU 28 2HD1 LEU 28 -10.672 2.094 6.034 218 3HD1 LEU 28 3HD1 LEU 28 -10.190 3.155 4.689 219 1HD2 LEU 28 1HD2 LEU 28 -13.887 3.741 4.958 220 2HD2 LEU 28 2HD2 LEU 28 -12.579 3.452 3.787 221 3HD2 LEU 28 3HD2 LEU 28 -13.012 2.192 4.967 222 H LYS 29 HN LYS 29 -12.183 5.498 9.916 223 HA LYS 29 HA LYS 29 -10.648 7.591 9.155 224 1HB LYS 29 2HB LYS 29 -12.486 7.693 10.783 225 2HB LYS 29 3HB LYS 29 -11.504 6.862 11.972 226 1HG LYS 29 2HG LYS 29 -10.025 8.696 12.237 227 2HG LYS 29 3HG LYS 29 -10.436 9.385 10.679 228 1HD LYS 29 2HD LYS 29 -11.697 10.810 11.984 229 2HD LYS 29 3HD LYS 29 -12.887 9.534 11.818 230 1HE LYS 29 2HE LYS 29 -12.923 9.547 14.106 231 2HE LYS 29 3HE LYS 29 -11.452 8.602 13.981 232 1HZ LYS 29 1HZ LYS 29 -10.880 10.361 15.319 233 2HZ LYS 29 2HZ LYS 29 -10.323 10.862 13.867 234 3HZ LYS 29 3HZ LYS 29 -11.719 11.469 14.460 235 H LEU 30 HN LEU 30 -9.774 5.152 11.704 236 HA LEU 30 HA LEU 30 -7.267 6.156 12.248 237 1HB LEU 30 2HB LEU 30 -8.184 3.277 12.289 238 2HB LEU 30 3HB LEU 30 -6.774 3.919 13.108 239 HG LEU 30 HG LEU 30 -9.682 4.307 13.755 240 1HD1 LEU 30 1HD1 LEU 30 -7.725 3.993 15.914 241 2HD1 LEU 30 2HD1 LEU 30 -9.236 3.111 15.588 242 3HD1 LEU 30 3HD1 LEU 30 -7.735 2.643 14.753 243 1HD2 LEU 30 1HD2 LEU 30 -9.014 6.069 15.395 244 2HD2 LEU 30 2HD2 LEU 30 -7.426 6.144 14.594 245 3HD2 LEU 30 3HD2 LEU 30 -8.899 6.570 13.690 246 H LEU 31 HN LEU 31 -8.165 3.520 9.911 247 HA LEU 31 HA LEU 31 -5.661 3.075 8.904 248 1HB LEU 31 2HB LEU 31 -7.958 1.936 8.498 249 2HB LEU 31 3HB LEU 31 -8.104 3.059 7.161 250 HG LEU 31 HG LEU 31 -5.523 1.711 7.127 251 1HD1 LEU 31 1HD1 LEU 31 -7.703 0.084 7.969 252 2HD1 LEU 31 2HD1 LEU 31 -7.295 -0.361 6.295 253 3HD1 LEU 31 3HD1 LEU 31 -6.040 -0.400 7.556 254 1HD2 LEU 31 1HD2 LEU 31 -7.833 2.005 5.199 255 2HD2 LEU 31 2HD2 LEU 31 -6.274 2.864 5.197 256 3HD2 LEU 31 3HD2 LEU 31 -6.334 1.129 4.807 257 H LEU 32 HN LEU 32 -8.165 5.233 7.380 258 HA LEU 32 HA LEU 32 -6.546 6.346 5.493 259 1HB LEU 32 2HB LEU 32 -8.749 7.726 7.032 260 2HB LEU 32 3HB LEU 32 -8.118 8.206 5.469 261 HG LEU 32 HG LEU 32 -9.488 5.556 6.001 262 1HD1 LEU 32 1HD1 LEU 32 -11.179 7.137 6.361 263 2HD1 LEU 32 2HD1 LEU 32 -10.591 8.201 5.060 264 3HD1 LEU 32 3HD1 LEU 32 -11.372 6.653 4.659 265 1HD2 LEU 32 1HD2 LEU 32 -7.971 6.576 3.774 266 2HD2 LEU 32 2HD2 LEU 32 -8.703 4.971 4.011 267 3HD2 LEU 32 3HD2 LEU 32 -9.659 6.287 3.288 268 H GLN 33 HN GLN 33 -6.450 6.743 8.970 269 HA GLN 33 HA GLN 33 -5.196 9.249 8.972 270 1HB GLN 33 2HB GLN 33 -6.279 7.567 10.883 271 2HB GLN 33 3HB GLN 33 -4.566 7.409 11.218 272 1HG GLN 33 2HG GLN 33 -4.322 9.655 11.812 273 2HG GLN 33 3HG GLN 33 -5.614 10.192 10.757 274 1HE2 GLN 33 1HE2 GLN 33 -4.870 10.318 13.759 275 2HE2 GLN 33 2HE2 GLN 33 -6.359 9.994 14.583 276 H THR 34 HN THR 34 -3.863 5.916 9.608 277 HA THR 34 HA THR 34 -1.181 6.915 9.174 278 HB THR 34 HB THR 34 -2.542 4.551 10.366 279 HG1 THR 34 HG1 THR 34 0.109 5.787 10.593 280 1HG2 THR 34 1HG2 THR 34 -0.161 3.382 10.176 281 2HG2 THR 34 2HG2 THR 34 -1.361 3.125 8.887 282 3HG2 THR 34 3HG2 THR 34 -0.045 4.302 8.657 283 H GLU 35 HN GLU 35 -3.450 4.574 7.604 284 HA GLU 35 HA GLU 35 -1.829 3.696 5.648 285 1HB GLU 35 2HB GLU 35 -4.076 2.823 5.942 286 2HB GLU 35 3HB GLU 35 -4.797 4.371 5.547 287 1HG GLU 35 2HG GLU 35 -5.005 3.322 3.484 288 2HG GLU 35 3HG GLU 35 -3.436 4.071 3.264 289 H PHE 36 HN PHE 36 -4.023 6.594 5.402 290 HA PHE 36 HA PHE 36 -2.021 7.901 3.782 291 1HB PHE 36 2HB PHE 36 -4.865 7.141 2.893 292 2HB PHE 36 3HB PHE 36 -3.929 8.369 2.064 293 HD1 PHE 36 HD1 PHE 36 -4.993 5.234 1.615 294 HD2 PHE 36 HD2 PHE 36 -1.299 7.315 1.778 295 HE1 PHE 36 HE1 PHE 36 -3.933 3.463 0.187 296 HE2 PHE 36 HE2 PHE 36 -0.238 5.544 0.350 297 HZ PHE 36 HZ PHE 36 -1.568 3.639 -0.428 298 HA PRO 37 HA PRO 37 -4.181 10.756 6.467 299 1HB PRO 37 2HB PRO 37 -1.986 12.194 7.231 300 2HB PRO 37 3HB PRO 37 -2.581 10.809 8.123 301 1HG PRO 37 2HG PRO 37 -0.218 11.000 6.357 302 2HG PRO 37 3HG PRO 37 -0.588 9.789 7.569 303 1HD PRO 37 2HD PRO 37 -0.833 9.503 4.725 304 2HD PRO 37 3HD PRO 37 -1.312 8.336 5.941 305 H SER 38 HN SER 38 -2.844 10.879 3.517 306 HA SER 38 HA SER 38 -2.976 13.739 3.301 307 1HB SER 38 2HB SER 38 -1.303 12.102 2.109 308 2HB SER 38 3HB SER 38 -2.618 11.811 0.988 309 HG SER 38 HG SER 38 -2.490 13.859 0.207 310 H LEU 39 HN LEU 39 -4.880 10.827 2.559 311 HA LEU 39 HA LEU 39 -6.648 12.052 0.733 312 1HB LEU 39 2HB LEU 39 -6.231 9.487 1.948 313 2HB LEU 39 3HB LEU 39 -7.927 9.912 2.075 314 HG LEU 39 HG LEU 39 -7.244 8.576 0.039 315 1HD1 LEU 39 1HD1 LEU 39 -9.317 9.335 -0.370 316 2HD1 LEU 39 2HD1 LEU 39 -8.926 10.997 0.135 317 3HD1 LEU 39 3HD1 LEU 39 -8.496 10.439 -1.500 318 1HD2 LEU 39 1HD2 LEU 39 -6.484 10.630 -1.710 319 2HD2 LEU 39 2HD2 LEU 39 -5.445 10.818 -0.277 320 3HD2 LEU 39 3HD2 LEU 39 -5.495 9.264 -1.142 321 H LEU 40 HN LEU 40 -6.268 12.158 4.214 322 HA LEU 40 HA LEU 40 -8.977 12.869 4.754 323 1HB LEU 40 2HB LEU 40 -6.435 13.034 6.375 324 2HB LEU 40 3HB LEU 40 -8.014 13.484 6.989 325 HG LEU 40 HG LEU 40 -7.626 10.743 5.826 326 1HD1 LEU 40 1HD1 LEU 40 -7.061 11.221 8.736 327 2HD1 LEU 40 2HD1 LEU 40 -6.625 9.839 7.702 328 3HD1 LEU 40 3HD1 LEU 40 -5.763 11.387 7.529 329 1HD2 LEU 40 1HD2 LEU 40 -9.548 10.204 6.898 330 2HD2 LEU 40 2HD2 LEU 40 -9.215 11.275 8.280 331 3HD2 LEU 40 3HD2 LEU 40 -9.827 11.956 6.753 332 H LYS 41 HN LYS 41 -6.024 14.523 3.735 333 HA LYS 41 HA LYS 41 -6.839 17.107 4.549 334 1HB LYS 41 2HB LYS 41 -4.800 16.153 2.518 335 2HB LYS 41 3HB LYS 41 -5.016 17.830 2.976 336 1HG LYS 41 2HG LYS 41 -4.821 16.725 5.463 337 2HG LYS 41 3HG LYS 41 -3.873 15.557 4.565 338 1HD LYS 41 2HD LYS 41 -2.438 17.378 3.665 339 2HD LYS 41 3HD LYS 41 -3.410 18.577 4.495 340 1HE LYS 41 2HE LYS 41 -2.826 17.080 6.647 341 2HE LYS 41 3HE LYS 41 -1.474 16.569 5.656 342 1HZ LYS 41 1HZ LYS 41 -1.466 18.757 7.124 343 2HZ LYS 41 2HZ LYS 41 -0.545 18.580 5.787 344 3HZ LYS 41 3HZ LYS 41 -1.955 19.400 5.705 345 H GLY 42 HN GLY 42 -7.325 15.085 1.635 346 1HA GLY 42 1HA GLY 42 -8.153 16.832 -0.247 347 2HA GLY 42 2HA GLY 42 -8.901 15.270 0.024 348 H MET 43 HN MET 43 -10.486 17.286 -0.989 349 HA MET 43 HA MET 43 -11.726 18.767 1.063 350 1HB MET 43 2HB MET 43 -12.640 18.035 -1.775 351 2HB MET 43 3HB MET 43 -13.400 19.263 -0.783 352 1HG MET 43 2HG MET 43 -10.559 19.795 -0.820 353 2HG MET 43 3HG MET 43 -11.075 19.524 -2.473 354 1HE MET 43 1HE MET 43 -10.101 21.876 -0.418 355 2HE MET 43 2HE MET 43 -10.178 22.627 -2.030 356 3HE MET 43 3HE MET 43 -11.063 23.353 -0.666 357 H SER 44 HN SER 44 -11.750 15.478 0.447 358 HA SER 44 HA SER 44 -14.561 15.147 1.005 359 1HB SER 44 2HB SER 44 -12.371 13.082 0.503 360 2HB SER 44 3HB SER 44 -14.076 12.717 0.676 361 HG SER 44 HG SER 44 -12.681 13.792 -1.512 362 H THR 45 HN THR 45 -14.938 15.639 3.179 363 HA THR 45 HA THR 45 -13.091 15.049 5.231 364 HB THR 45 HB THR 45 -14.955 15.805 6.671 365 HG1 THR 45 HG1 THR 45 -16.544 15.835 4.236 366 1HG2 THR 45 1HG2 THR 45 -15.886 17.658 4.797 367 2HG2 THR 45 2HG2 THR 45 -14.442 17.877 5.814 368 3HG2 THR 45 3HG2 THR 45 -14.278 17.237 4.161 369 H LEU 46 HN LEU 46 -13.813 13.691 7.220 370 HA LEU 46 HA LEU 46 -13.669 11.050 6.513 371 1HB LEU 46 2HB LEU 46 -13.326 12.323 8.763 372 2HB LEU 46 3HB LEU 46 -15.008 11.926 9.048 373 HG LEU 46 HG LEU 46 -13.637 10.287 10.127 374 1HD1 LEU 46 1HD1 LEU 46 -14.347 8.185 8.898 375 2HD1 LEU 46 2HD1 LEU 46 -15.639 9.339 9.306 376 3HD1 LEU 46 3HD1 LEU 46 -15.013 9.255 7.642 377 1HD2 LEU 46 1HD2 LEU 46 -12.247 8.763 8.429 378 2HD2 LEU 46 2HD2 LEU 46 -12.137 10.311 7.556 379 3HD2 LEU 46 3HD2 LEU 46 -11.553 10.191 9.233 380 H ASP 47 HN ASP 47 -16.638 12.694 7.828 381 HA ASP 47 HA ASP 47 -18.383 10.724 7.477 382 1HB ASP 47 2HB ASP 47 -18.496 13.679 7.436 383 2HB ASP 47 3HB ASP 47 -19.820 12.949 6.549 384 H GLU 48 HN GLU 48 -17.415 13.214 5.001 385 HA GLU 48 HA GLU 48 -19.032 12.352 2.974 386 1HB GLU 48 2HB GLU 48 -16.732 14.103 3.297 387 2HB GLU 48 3HB GLU 48 -16.593 13.227 1.786 388 1HG GLU 48 2HG GLU 48 -19.205 13.889 1.590 389 2HG GLU 48 3HG GLU 48 -18.709 15.185 2.661 390 H LEU 49 HN LEU 49 -15.683 11.300 3.855 391 HA LEU 49 HA LEU 49 -15.338 9.568 1.696 392 1HB LEU 49 2HB LEU 49 -13.844 10.483 3.816 393 2HB LEU 49 3HB LEU 49 -14.048 8.787 4.208 394 HG LEU 49 HG LEU 49 -13.324 9.078 1.420 395 1HD1 LEU 49 1HD1 LEU 49 -11.553 10.479 3.432 396 2HD1 LEU 49 2HD1 LEU 49 -10.978 9.893 1.853 397 3HD1 LEU 49 3HD1 LEU 49 -12.251 11.133 1.931 398 1HD2 LEU 49 1HD2 LEU 49 -12.349 7.139 1.883 399 2HD2 LEU 49 2HD2 LEU 49 -11.291 7.897 3.097 400 3HD2 LEU 49 3HD2 LEU 49 -12.907 7.314 3.564 401 H PHE 50 HN PHE 50 -16.705 9.071 5.002 402 HA PHE 50 HA PHE 50 -17.031 6.342 4.861 403 1HB PHE 50 2HB PHE 50 -17.387 7.962 6.819 404 2HB PHE 50 3HB PHE 50 -18.869 8.504 6.056 405 HD1 PHE 50 HD1 PHE 50 -17.533 5.048 6.469 406 HD2 PHE 50 HD2 PHE 50 -20.582 7.827 7.463 407 HE1 PHE 50 HE1 PHE 50 -18.804 3.232 7.646 408 HE2 PHE 50 HE2 PHE 50 -21.853 6.011 8.641 409 HZ PHE 50 HZ PHE 50 -20.949 3.735 8.718 410 H GLU 51 HN GLU 51 -19.356 8.966 3.907 411 HA GLU 51 HA GLU 51 -21.326 7.184 3.085 412 1HB GLU 51 2HB GLU 51 -21.041 9.970 3.349 413 2HB GLU 51 3HB GLU 51 -21.337 9.740 1.638 414 1HG GLU 51 2HG GLU 51 -23.244 8.074 2.539 415 2HG GLU 51 3HG GLU 51 -23.113 9.060 3.982 416 H GLU 52 HN GLU 52 -18.628 8.834 1.352 417 HA GLU 52 HA GLU 52 -19.383 8.089 -1.193 418 1HB GLU 52 2HB GLU 52 -17.405 9.630 -0.156 419 2HB GLU 52 3HB GLU 52 -16.459 8.207 -0.543 420 1HG GLU 52 2HG GLU 52 -17.173 8.284 -2.885 421 2HG GLU 52 3HG GLU 52 -18.326 9.558 -2.544 422 H LEU 53 HN LEU 53 -17.029 6.509 1.086 423 HA LEU 53 HA LEU 53 -16.335 4.385 -0.493 424 1HB LEU 53 2HB LEU 53 -16.713 4.427 2.504 425 2HB LEU 53 3HB LEU 53 -15.794 3.237 1.604 426 HG LEU 53 HG LEU 53 -15.035 6.108 1.274 427 1HD1 LEU 53 1HD1 LEU 53 -15.167 4.811 3.857 428 2HD1 LEU 53 2HD1 LEU 53 -13.485 5.204 3.425 429 3HD1 LEU 53 3HD1 LEU 53 -14.723 6.484 3.440 430 1HD2 LEU 53 1HD2 LEU 53 -13.017 5.293 0.621 431 2HD2 LEU 53 2HD2 LEU 53 -13.084 3.905 1.733 432 3HD2 LEU 53 3HD2 LEU 53 -14.021 3.879 0.219 433 H ASP 54 HN ASP 54 -18.993 4.448 1.989 434 HA ASP 54 HA ASP 54 -19.955 1.954 1.220 435 1HB ASP 54 2HB ASP 54 -20.456 2.982 3.409 436 2HB ASP 54 3HB ASP 54 -21.309 4.300 2.631 437 H LYS 55 HN LYS 55 -22.277 1.640 0.289 438 HA LYS 55 HA LYS 55 -23.486 3.718 -1.168 439 1HB LYS 55 2HB LYS 55 -21.229 2.865 -2.456 440 2HB LYS 55 3HB LYS 55 -22.433 1.802 -3.156 441 1HG LYS 55 2HG LYS 55 -23.876 3.855 -3.612 442 2HG LYS 55 3HG LYS 55 -22.541 4.853 -3.069 443 1HD LYS 55 2HD LYS 55 -21.090 3.650 -4.834 444 2HD LYS 55 3HD LYS 55 -22.574 2.964 -5.462 445 1HE LYS 55 2HE LYS 55 -23.494 5.262 -5.816 446 2HE LYS 55 3HE LYS 55 -22.020 5.957 -5.171 447 1HZ LYS 55 1HZ LYS 55 -22.041 5.829 -7.586 448 2HZ LYS 55 2HZ LYS 55 -20.803 4.972 -6.955 449 3HZ LYS 55 3HZ LYS 55 -22.124 4.199 -7.524 450 H ASN 56 HN ASN 56 -22.838 0.197 -0.801 451 HA ASN 56 HA ASN 56 -25.135 -0.746 -1.903 452 1HB ASN 56 2HB ASN 56 -24.837 -2.605 -0.033 453 2HB ASN 56 3HB ASN 56 -23.596 -2.415 -1.255 454 1HD2 ASN 56 1HD2 ASN 56 -21.587 -2.086 -0.647 455 2HD2 ASN 56 2HD2 ASN 56 -21.040 -1.633 0.932 456 H GLY 57 HN GLY 57 -24.492 0.774 1.273 457 1HA GLY 57 1HA GLY 57 -26.064 1.864 2.566 458 2HA GLY 57 2HA GLY 57 -27.360 1.017 1.745 459 H ASP 58 HN ASP 58 -24.432 0.181 3.746 460 HA ASP 58 HA ASP 58 -26.214 -1.493 5.320 461 1HB ASP 58 2HB ASP 58 -23.341 -2.273 4.697 462 2HB ASP 58 3HB ASP 58 -24.594 -3.278 5.396 463 H GLY 59 HN GLY 59 -22.880 -0.060 4.993 464 1HA GLY 59 1HA GLY 59 -22.351 1.671 6.670 465 2HA GLY 59 2HA GLY 59 -22.949 0.560 7.887 466 H GLU 60 HN GLU 60 -21.492 -1.273 5.424 467 HA GLU 60 HA GLU 60 -19.015 -1.328 6.963 468 1HB GLU 60 2HB GLU 60 -18.795 -3.694 6.161 469 2HB GLU 60 3HB GLU 60 -20.216 -3.435 7.153 470 1HG GLU 60 2HG GLU 60 -21.604 -3.185 5.071 471 2HG GLU 60 3HG GLU 60 -20.180 -3.490 4.098 472 H VAL 61 HN VAL 61 -17.168 -0.692 5.925 473 HA VAL 61 HA VAL 61 -17.372 -0.237 3.054 474 HB VAL 61 HB VAL 61 -15.520 0.723 5.229 475 1HG1 VAL 61 1HG1 VAL 61 -15.011 0.504 2.346 476 2HG1 VAL 61 2HG1 VAL 61 -14.828 2.160 2.973 477 3HG1 VAL 61 3HG1 VAL 61 -13.888 0.829 3.689 478 1HG2 VAL 61 1HG2 VAL 61 -17.085 2.436 3.308 479 2HG2 VAL 61 2HG2 VAL 61 -17.878 1.720 4.732 480 3HG2 VAL 61 3HG2 VAL 61 -16.493 2.817 4.943 481 H SER 62 HN SER 62 -17.400 -2.834 3.180 482 HA SER 62 HA SER 62 -15.253 -4.299 3.789 483 1HB SER 62 2HB SER 62 -15.996 -5.485 1.421 484 2HB SER 62 3HB SER 62 -16.826 -5.713 2.948 485 HG SER 62 HG SER 62 -17.488 -3.641 1.033 486 H PHE 63 HN PHE 63 -13.671 -5.406 2.094 487 HA PHE 63 HA PHE 63 -11.878 -3.490 1.249 488 1HB PHE 63 2HB PHE 63 -11.708 -6.082 1.672 489 2HB PHE 63 3HB PHE 63 -12.321 -6.279 0.042 490 HD1 PHE 63 HD1 PHE 63 -10.747 -6.663 -1.586 491 HD2 PHE 63 HD2 PHE 63 -9.652 -4.303 1.767 492 HE1 PHE 63 HE1 PHE 63 -8.412 -6.466 -2.487 493 HE2 PHE 63 HE2 PHE 63 -7.317 -4.106 0.866 494 HZ PHE 63 HZ PHE 63 -6.726 -5.190 -1.250 495 H GLU 64 HN GLU 64 -14.864 -4.474 -0.203 496 HA GLU 64 HA GLU 64 -14.132 -4.119 -2.881 497 1HB GLU 64 2HB GLU 64 -16.947 -3.585 -1.956 498 2HB GLU 64 3HB GLU 64 -16.391 -4.479 -3.357 499 1HG GLU 64 2HG GLU 64 -16.541 -5.385 -0.472 500 2HG GLU 64 3HG GLU 64 -17.164 -6.181 -1.904 501 H GLU 65 HN GLU 65 -15.998 -1.989 -0.589 502 HA GLU 65 HA GLU 65 -16.131 0.155 -2.311 503 1HB GLU 65 2HB GLU 65 -16.113 0.090 0.738 504 2HB GLU 65 3HB GLU 65 -16.569 1.492 -0.210 505 1HG GLU 65 2HG GLU 65 -18.638 0.648 -0.654 506 2HG GLU 65 3HG GLU 65 -17.988 -0.908 -1.132 507 H PHE 66 HN PHE 66 -13.517 -1.029 -0.237 508 HA PHE 66 HA PHE 66 -12.044 1.310 0.007 509 1HB PHE 66 2HB PHE 66 -11.772 -1.013 1.118 510 2HB PHE 66 3HB PHE 66 -11.091 -1.588 -0.391 511 HD1 PHE 66 HD1 PHE 66 -10.569 1.376 1.834 512 HD2 PHE 66 HD2 PHE 66 -8.807 -1.795 -0.367 513 HE1 PHE 66 HE1 PHE 66 -8.292 2.128 2.574 514 HE2 PHE 66 HE2 PHE 66 -6.529 -1.043 0.373 515 HZ PHE 66 HZ PHE 66 -6.299 0.910 1.835 516 H GLN 67 HN GLN 67 -12.237 -1.127 -2.629 517 HA GLN 67 HA GLN 67 -10.012 -0.272 -4.020 518 1HB GLN 67 2HB GLN 67 -12.591 -1.482 -5.113 519 2HB GLN 67 3HB GLN 67 -11.061 -1.423 -5.965 520 1HG GLN 67 2HG GLN 67 -10.570 -2.558 -3.356 521 2HG GLN 67 3HG GLN 67 -11.961 -3.375 -4.040 522 1HE2 GLN 67 1HE2 GLN 67 -10.123 -5.048 -3.785 523 2HE2 GLN 67 2HE2 GLN 67 -9.188 -5.378 -5.206 524 H VAL 68 HN VAL 68 -13.058 1.279 -3.459 525 HA VAL 68 HA VAL 68 -13.131 2.778 -5.884 526 HB VAL 68 HB VAL 68 -14.493 3.282 -3.232 527 1HG1 VAL 68 1HG1 VAL 68 -15.084 4.218 -6.057 528 2HG1 VAL 68 2HG1 VAL 68 -16.215 4.383 -4.693 529 3HG1 VAL 68 3HG1 VAL 68 -14.642 5.216 -4.652 530 1HG2 VAL 68 1HG2 VAL 68 -16.060 2.009 -5.371 531 2HG2 VAL 68 2HG2 VAL 68 -14.740 0.994 -4.743 532 3HG2 VAL 68 3HG2 VAL 68 -15.973 1.637 -3.632 533 H LEU 69 HN LEU 69 -11.810 3.199 -2.576 534 HA LEU 69 HA LEU 69 -11.108 5.930 -3.052 535 1HB LEU 69 2HB LEU 69 -11.656 4.656 -0.838 536 2HB LEU 69 3HB LEU 69 -9.959 4.220 -0.877 537 HG LEU 69 HG LEU 69 -9.448 6.712 -1.057 538 1HD1 LEU 69 1HD1 LEU 69 -11.311 8.141 -0.013 539 2HD1 LEU 69 2HD1 LEU 69 -11.454 7.703 -1.732 540 3HD1 LEU 69 3HD1 LEU 69 -12.409 6.831 -0.509 541 1HD2 LEU 69 1HD2 LEU 69 -8.890 5.808 0.984 542 2HD2 LEU 69 2HD2 LEU 69 -10.083 7.040 1.462 543 3HD2 LEU 69 3HD2 LEU 69 -10.563 5.329 1.357 544 H VAL 70 HN VAL 70 -9.604 2.722 -3.409 545 HA VAL 70 HA VAL 70 -6.958 3.419 -3.523 546 HB VAL 70 HB VAL 70 -8.668 1.320 -4.787 547 1HG1 VAL 70 1HG1 VAL 70 -6.733 0.273 -5.853 548 2HG1 VAL 70 2HG1 VAL 70 -7.024 1.890 -6.536 549 3HG1 VAL 70 3HG1 VAL 70 -5.703 1.641 -5.368 550 1HG2 VAL 70 1HG2 VAL 70 -7.149 -0.159 -3.460 551 2HG2 VAL 70 2HG2 VAL 70 -6.335 1.299 -2.845 552 3HG2 VAL 70 3HG2 VAL 70 -8.053 1.015 -2.474 553 H LYS 71 HN LYS 71 -9.586 4.239 -5.705 554 HA LYS 71 HA LYS 71 -7.960 4.749 -7.971 555 1HB LYS 71 2HB LYS 71 -10.622 4.431 -7.563 556 2HB LYS 71 3HB LYS 71 -10.542 6.179 -7.654 557 1HG LYS 71 2HG LYS 71 -8.911 4.818 -9.726 558 2HG LYS 71 3HG LYS 71 -10.622 4.455 -9.839 559 1HD LYS 71 2HD LYS 71 -10.449 7.262 -9.337 560 2HD LYS 71 3HD LYS 71 -9.225 6.914 -10.541 561 1HE LYS 71 2HE LYS 71 -11.824 5.548 -11.031 562 2HE LYS 71 3HE LYS 71 -11.917 7.298 -11.085 563 1HZ LYS 71 1HZ LYS 71 -11.341 6.322 -13.213 564 2HZ LYS 71 2HZ LYS 71 -10.154 7.312 -12.685 565 3HZ LYS 71 3HZ LYS 71 -9.969 5.692 -12.590 566 H LYS 72 HN LYS 72 -9.225 6.717 -5.228 567 HA LYS 72 HA LYS 72 -8.182 9.144 -6.249 568 1HB LYS 72 2HB LYS 72 -9.240 8.273 -3.555 569 2HB LYS 72 3HB LYS 72 -8.609 9.884 -3.829 570 1HG LYS 72 2HG LYS 72 -10.805 8.629 -5.540 571 2HG LYS 72 3HG LYS 72 -11.130 9.643 -4.148 572 1HD LYS 72 2HD LYS 72 -9.247 11.116 -5.663 573 2HD LYS 72 3HD LYS 72 -10.320 10.420 -6.862 574 1HE LYS 72 2HE LYS 72 -12.291 11.367 -5.732 575 2HE LYS 72 3HE LYS 72 -11.307 11.930 -4.397 576 1HZ LYS 72 1HZ LYS 72 -10.813 12.798 -7.151 577 2HZ LYS 72 2HZ LYS 72 -11.848 13.586 -6.165 578 3HZ LYS 72 3HZ LYS 72 -10.266 13.479 -5.771 579 H ILE 73 HN ILE 73 -6.986 6.567 -4.055 580 HA ILE 73 HA ILE 73 -4.650 8.040 -3.347 581 HB ILE 73 HB ILE 73 -5.309 5.107 -3.050 582 1HG1 ILE 73 2HG1 ILE 73 -5.476 7.022 -0.771 583 2HG1 ILE 73 3HG1 ILE 73 -6.760 7.087 -1.962 584 1HG2 ILE 73 1HG2 ILE 73 -2.890 6.557 -2.578 585 2HG2 ILE 73 2HG2 ILE 73 -3.574 6.057 -1.013 586 3HG2 ILE 73 3HG2 ILE 73 -3.251 4.842 -2.273 587 1HD1 ILE 73 1HD1 ILE 73 -6.047 4.894 -0.052 588 2HD1 ILE 73 2HD1 ILE 73 -7.645 5.427 -0.627 589 3HD1 ILE 73 3HD1 ILE 73 -6.627 4.393 -1.658 590 H SER 74 HN SER 74 -5.684 6.632 -6.224 591 HA SER 74 HA SER 74 -3.079 5.645 -6.944 592 1HB SER 74 2HB SER 74 -5.784 5.181 -7.803 593 2HB SER 74 3HB SER 74 -4.890 5.773 -9.189 594 HG SER 74 HG SER 74 -3.227 4.039 -8.112 595 H GLN 75 HN GLN 75 -5.387 8.299 -7.772 596 HA GLN 75 HA GLN 75 -3.735 9.374 -9.769 597 1HB GLN 75 2HB GLN 75 -6.347 9.731 -8.991 598 2HB GLN 75 3HB GLN 75 -5.626 11.200 -8.365 599 1HG GLN 75 2HG GLN 75 -6.223 11.811 -10.568 600 2HG GLN 75 3HG GLN 75 -4.517 11.440 -10.720 601 1HE2 GLN 75 1HE2 GLN 75 -7.515 9.517 -10.536 602 2HE2 GLN 75 2HE2 GLN 75 -7.257 8.573 -11.965 Start of MODEL 23 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 1.668 0.796 -1.870 3 1HB LYS 1 2HB LYS 1 3.736 0.339 0.086 4 2HB LYS 1 3HB LYS 1 4.177 -0.444 -1.418 5 1HG LYS 1 2HG LYS 1 4.341 1.550 -2.578 6 2HG LYS 1 3HG LYS 1 3.015 2.294 -1.708 7 1HD LYS 1 2HD LYS 1 5.185 1.799 0.153 8 2HD LYS 1 3HD LYS 1 5.829 2.625 -1.252 9 1HE LYS 1 2HE LYS 1 4.576 4.553 -0.880 10 2HE LYS 1 3HE LYS 1 3.239 3.681 -0.156 11 1HZ LYS 1 1HZ LYS 1 4.288 3.609 1.851 12 2HZ LYS 1 2HZ LYS 1 5.794 3.746 1.235 13 3HZ LYS 1 3HZ LYS 1 4.819 5.054 1.305 14 H SER 2 HN SER 2 -0.177 -1.048 -1.989 15 HA SER 2 HA SER 2 0.914 -3.624 -2.493 16 1HB SER 2 2HB SER 2 -1.646 -2.541 -1.931 17 2HB SER 2 3HB SER 2 -1.782 -3.212 -3.545 18 HG SER 2 HG SER 2 -0.560 -4.726 -1.419 19 HA PRO 3 HA PRO 3 1.466 -3.203 -6.788 20 1HB PRO 3 2HB PRO 3 0.861 -5.684 -7.761 21 2HB PRO 3 3HB PRO 3 2.387 -5.304 -6.988 22 1HG PRO 3 2HG PRO 3 0.093 -6.825 -5.911 23 2HG PRO 3 3HG PRO 3 1.751 -6.794 -5.346 24 1HD PRO 3 2HD PRO 3 -0.491 -5.455 -4.160 25 2HD PRO 3 3HD PRO 3 1.185 -5.331 -3.665 26 H GLU 4 HN GLU 4 -1.610 -4.669 -5.966 27 HA GLU 4 HA GLU 4 -2.804 -4.211 -8.404 28 1HB GLU 4 2HB GLU 4 -3.557 -5.196 -5.851 29 2HB GLU 4 3HB GLU 4 -4.683 -3.898 -6.193 30 1HG GLU 4 2HG GLU 4 -4.050 -5.996 -8.300 31 2HG GLU 4 3HG GLU 4 -5.246 -6.310 -7.058 32 H GLU 5 HN GLU 5 -2.239 -2.073 -5.598 33 HA GLU 5 HA GLU 5 -4.012 -0.074 -6.426 34 1HB GLU 5 2HB GLU 5 -2.015 -0.485 -4.320 35 2HB GLU 5 3HB GLU 5 -1.977 1.164 -4.913 36 1HG GLU 5 2HG GLU 5 -4.678 0.839 -4.727 37 2HG GLU 5 3HG GLU 5 -4.178 -0.294 -3.486 38 H LEU 6 HN LEU 6 -0.644 -0.903 -7.221 39 HA LEU 6 HA LEU 6 0.097 1.565 -8.312 40 1HB LEU 6 2HB LEU 6 1.062 -1.250 -8.471 41 2HB LEU 6 3HB LEU 6 1.655 -0.108 -9.660 42 HG LEU 6 HG LEU 6 1.802 0.497 -6.708 43 1HD1 LEU 6 1HD1 LEU 6 3.744 -1.137 -8.356 44 2HD1 LEU 6 2HD1 LEU 6 4.164 -0.360 -6.810 45 3HD1 LEU 6 3HD1 LEU 6 2.898 -1.611 -6.863 46 1HD2 LEU 6 1HD2 LEU 6 3.083 2.265 -7.267 47 2HD2 LEU 6 2HD2 LEU 6 3.877 1.410 -8.611 48 3HD2 LEU 6 3HD2 LEU 6 2.253 2.104 -8.834 49 H LYS 7 HN LYS 7 -1.526 -1.341 -9.696 50 HA LYS 7 HA LYS 7 -1.505 -0.422 -12.342 51 1HB LYS 7 2HB LYS 7 -2.153 -2.753 -11.087 52 2HB LYS 7 3HB LYS 7 -3.751 -2.148 -11.475 53 1HG LYS 7 2HG LYS 7 -2.496 -1.638 -13.849 54 2HG LYS 7 3HG LYS 7 -1.545 -3.009 -13.314 55 1HD LYS 7 2HD LYS 7 -3.207 -4.293 -14.202 56 2HD LYS 7 3HD LYS 7 -4.114 -3.886 -12.759 57 1HE LYS 7 2HE LYS 7 -5.262 -2.070 -13.868 58 2HE LYS 7 3HE LYS 7 -4.157 -2.100 -15.227 59 1HZ LYS 7 1HZ LYS 7 -6.130 -4.152 -14.519 60 2HZ LYS 7 2HZ LYS 7 -6.107 -3.216 -15.857 61 3HZ LYS 7 3HZ LYS 7 -4.980 -4.381 -15.656 62 H GLY 8 HN GLY 8 -4.039 -0.246 -9.748 63 1HA GLY 8 1HA GLY 8 -5.932 1.165 -11.236 64 2HA GLY 8 2HA GLY 8 -5.790 1.137 -9.490 65 H ILE 9 HN ILE 9 -3.442 2.387 -8.874 66 HA ILE 9 HA ILE 9 -4.045 5.062 -9.149 67 HB ILE 9 HB ILE 9 -1.645 3.497 -8.314 68 1HG1 ILE 9 2HG1 ILE 9 -3.515 5.449 -6.943 69 2HG1 ILE 9 3HG1 ILE 9 -3.479 3.708 -6.748 70 1HG2 ILE 9 1HG2 ILE 9 -0.619 5.331 -9.488 71 2HG2 ILE 9 2HG2 ILE 9 -1.695 6.503 -8.689 72 3HG2 ILE 9 3HG2 ILE 9 -0.482 5.615 -7.736 73 1HD1 ILE 9 1HD1 ILE 9 -0.931 4.131 -6.091 74 2HD1 ILE 9 2HD1 ILE 9 -1.523 5.774 -5.746 75 3HD1 ILE 9 3HD1 ILE 9 -2.226 4.378 -4.895 76 H PHE 10 HN PHE 10 -1.740 3.003 -11.031 77 HA PHE 10 HA PHE 10 -0.620 4.940 -12.588 78 1HB PHE 10 2HB PHE 10 0.182 2.697 -12.808 79 2HB PHE 10 3HB PHE 10 -1.437 2.028 -12.878 80 HD1 PHE 10 HD1 PHE 10 -2.705 2.066 -14.989 81 HD2 PHE 10 HD2 PHE 10 1.303 3.446 -14.800 82 HE1 PHE 10 HE1 PHE 10 -2.541 1.931 -17.490 83 HE2 PHE 10 HE2 PHE 10 1.468 3.311 -17.301 84 HZ PHE 10 HZ PHE 10 -0.456 2.555 -18.616 85 H GLU 11 HN GLU 11 -3.616 3.014 -13.333 86 HA GLU 11 HA GLU 11 -4.134 4.349 -15.701 87 1HB GLU 11 2HB GLU 11 -5.430 2.372 -13.999 88 2HB GLU 11 3HB GLU 11 -6.621 3.501 -14.611 89 1HG GLU 11 2HG GLU 11 -5.328 3.122 -16.925 90 2HG GLU 11 3HG GLU 11 -4.806 1.639 -16.151 91 H LYS 12 HN LYS 12 -4.926 5.080 -12.296 92 HA LYS 12 HA LYS 12 -6.913 6.968 -12.730 93 1HB LYS 12 2HB LYS 12 -6.332 5.928 -10.553 94 2HB LYS 12 3HB LYS 12 -4.852 6.864 -10.508 95 1HG LYS 12 2HG LYS 12 -6.794 8.809 -11.040 96 2HG LYS 12 3HG LYS 12 -7.630 7.716 -9.955 97 1HD LYS 12 2HD LYS 12 -5.345 7.856 -8.565 98 2HD LYS 12 3HD LYS 12 -5.141 9.354 -9.451 99 1HE LYS 12 2HE LYS 12 -6.278 9.961 -7.427 100 2HE LYS 12 3HE LYS 12 -7.501 10.014 -8.681 101 1HZ LYS 12 1HZ LYS 12 -8.432 8.073 -7.940 102 2HZ LYS 12 2HZ LYS 12 -7.085 7.552 -7.176 103 3HZ LYS 12 3HZ LYS 12 -7.975 8.758 -6.529 104 H TYR 13 HN TYR 13 -3.387 7.104 -13.118 105 HA TYR 13 HA TYR 13 -3.511 9.993 -13.492 106 1HB TYR 13 2HB TYR 13 -1.465 7.769 -13.122 107 2HB TYR 13 3HB TYR 13 -0.920 9.222 -13.936 108 HD1 TYR 13 HD1 TYR 13 -0.337 11.161 -12.707 109 HD2 TYR 13 HD2 TYR 13 -2.453 7.987 -10.770 110 HE1 TYR 13 HE1 TYR 13 0.045 12.272 -10.452 111 HE2 TYR 13 HE2 TYR 13 -2.063 9.108 -8.522 112 HH TYR 13 HH TYR 13 -1.651 11.688 -7.847 113 H ALA 14 HN ALA 14 -2.929 6.921 -15.263 114 HA ALA 14 HA ALA 14 -2.057 8.145 -17.645 115 1HB ALA 14 1HB ALA 14 -1.976 5.653 -16.712 116 2HB ALA 14 2HB ALA 14 -3.498 5.508 -17.623 117 3HB ALA 14 3HB ALA 14 -2.000 5.980 -18.461 118 H ALA 15 HN ALA 15 -5.221 7.575 -16.160 119 HA ALA 15 HA ALA 15 -6.661 7.962 -18.609 120 1HB ALA 15 1HB ALA 15 -7.765 8.162 -15.795 121 2HB ALA 15 2HB ALA 15 -8.582 7.612 -17.277 122 3HB ALA 15 3HB ALA 15 -7.336 6.593 -16.518 123 H LYS 16 HN LYS 16 -5.157 9.951 -16.158 124 HA LYS 16 HA LYS 16 -6.789 12.172 -16.179 125 1HB LYS 16 2HB LYS 16 -4.341 11.442 -15.079 126 2HB LYS 16 3HB LYS 16 -3.933 12.802 -16.105 127 1HG LYS 16 2HG LYS 16 -5.963 14.021 -15.040 128 2HG LYS 16 3HG LYS 16 -5.991 12.726 -13.860 129 1HD LYS 16 2HD LYS 16 -3.981 13.379 -12.872 130 2HD LYS 16 3HD LYS 16 -3.333 14.039 -14.361 131 1HE LYS 16 2HE LYS 16 -3.803 16.038 -13.296 132 2HE LYS 16 3HE LYS 16 -5.366 15.787 -14.047 133 1HZ LYS 16 1HZ LYS 16 -5.794 16.188 -11.820 134 2HZ LYS 16 2HZ LYS 16 -5.945 14.567 -11.944 135 3HZ LYS 16 3HZ LYS 16 -4.599 15.213 -11.283 136 H GLU 17 HN GLU 17 -3.768 11.734 -18.160 137 HA GLU 17 HA GLU 17 -5.095 13.400 -20.155 138 1HB GLU 17 2HB GLU 17 -2.212 13.305 -19.230 139 2HB GLU 17 3HB GLU 17 -2.598 13.887 -20.837 140 1HG GLU 17 2HG GLU 17 -4.462 15.194 -19.161 141 2HG GLU 17 3HG GLU 17 -2.970 15.213 -18.241 142 H GLY 18 HN GLY 18 -5.313 12.554 -22.209 143 1HA GLY 18 1HA GLY 18 -5.145 11.116 -23.928 144 2HA GLY 18 2HA GLY 18 -3.540 10.698 -23.362 145 H ASP 19 HN ASP 19 -4.670 8.574 -24.383 146 HA ASP 19 HA ASP 19 -6.576 7.211 -23.032 147 1HB ASP 19 2HB ASP 19 -5.110 6.673 -25.196 148 2HB ASP 19 3HB ASP 19 -4.130 5.758 -24.068 149 HA PRO 20 HA PRO 20 -4.534 6.114 -19.299 150 1HB PRO 20 2HB PRO 20 -6.213 4.160 -18.386 151 2HB PRO 20 3HB PRO 20 -6.535 5.870 -18.185 152 1HG PRO 20 2HG PRO 20 -7.781 3.957 -20.063 153 2HG PRO 20 3HG PRO 20 -8.362 5.529 -19.551 154 1HD PRO 20 2HD PRO 20 -7.124 4.891 -22.058 155 2HD PRO 20 3HD PRO 20 -7.599 6.482 -21.499 156 H ASN 21 HN ASN 21 -4.448 4.352 -22.014 157 HA ASN 21 HA ASN 21 -3.288 2.036 -20.782 158 1HB ASN 21 2HB ASN 21 -3.975 2.888 -23.612 159 2HB ASN 21 3HB ASN 21 -2.834 1.577 -23.388 160 1HD2 ASN 21 1HD2 ASN 21 -6.058 2.735 -22.519 161 2HD2 ASN 21 2HD2 ASN 21 -6.815 1.189 -22.323 162 H GLN 22 HN GLN 22 -2.371 4.702 -23.090 163 HA GLN 22 HA GLN 22 0.409 4.008 -22.696 164 1HB GLN 22 2HB GLN 22 0.662 5.900 -24.497 165 2HB GLN 22 3HB GLN 22 0.028 4.340 -24.982 166 1HG GLN 22 2HG GLN 22 -1.959 6.388 -24.025 167 2HG GLN 22 3HG GLN 22 -1.219 6.665 -25.590 168 1HE2 GLN 22 1HE2 GLN 22 -3.146 6.348 -26.666 169 2HE2 GLN 22 2HE2 GLN 22 -3.863 4.789 -26.902 170 H LEU 23 HN LEU 23 1.796 5.204 -21.429 171 HA LEU 23 HA LEU 23 0.623 7.420 -19.986 172 1HB LEU 23 2HB LEU 23 2.983 5.629 -19.669 173 2HB LEU 23 3HB LEU 23 3.060 7.222 -18.942 174 HG LEU 23 HG LEU 23 2.225 5.216 -17.535 175 1HD1 LEU 23 1HD1 LEU 23 0.765 6.666 -16.221 176 2HD1 LEU 23 2HD1 LEU 23 2.210 7.543 -16.778 177 3HD1 LEU 23 3HD1 LEU 23 0.645 7.802 -17.586 178 1HD2 LEU 23 1HD2 LEU 23 -0.187 5.763 -19.264 179 2HD2 LEU 23 2HD2 LEU 23 0.610 4.211 -18.912 180 3HD2 LEU 23 3HD2 LEU 23 -0.320 5.041 -17.642 181 H SER 24 HN SER 24 2.109 9.401 -19.609 182 HA SER 24 HA SER 24 3.629 9.978 -22.006 183 1HB SER 24 2HB SER 24 1.581 11.937 -20.889 184 2HB SER 24 3HB SER 24 2.525 12.117 -22.354 185 HG SER 24 HG SER 24 0.109 11.145 -22.244 186 H LYS 25 HN LYS 25 5.032 11.986 -21.695 187 HA LYS 25 HA LYS 25 6.481 11.823 -19.368 188 1HB LYS 25 2HB LYS 25 7.239 12.796 -21.526 189 2HB LYS 25 3HB LYS 25 6.238 14.203 -21.232 190 1HG LYS 25 2HG LYS 25 7.528 14.310 -18.915 191 2HG LYS 25 3HG LYS 25 8.704 13.291 -19.723 192 1HD LYS 25 2HD LYS 25 9.575 15.339 -20.344 193 2HD LYS 25 3HD LYS 25 8.437 15.150 -21.663 194 1HE LYS 25 2HE LYS 25 7.229 16.950 -20.978 195 2HE LYS 25 3HE LYS 25 7.072 16.302 -19.357 196 1HZ LYS 25 1HZ LYS 25 9.572 17.537 -20.236 197 2HZ LYS 25 2HZ LYS 25 8.343 18.445 -19.660 198 3HZ LYS 25 3HZ LYS 25 9.033 17.308 -18.712 199 H GLU 26 HN GLU 26 4.104 14.423 -20.281 200 HA GLU 26 HA GLU 26 4.189 15.696 -17.858 201 1HB GLU 26 2HB GLU 26 2.682 15.855 -20.282 202 2HB GLU 26 3HB GLU 26 1.515 15.835 -18.975 203 1HG GLU 26 2HG GLU 26 3.787 17.565 -18.308 204 2HG GLU 26 3HG GLU 26 3.073 18.042 -19.836 205 H GLU 27 HN GLU 27 2.172 12.928 -18.973 206 HA GLU 27 HA GLU 27 0.480 12.865 -16.794 207 1HB GLU 27 2HB GLU 27 1.299 11.002 -18.968 208 2HB GLU 27 3HB GLU 27 0.657 10.218 -17.538 209 1HG GLU 27 2HG GLU 27 -1.198 12.184 -17.781 210 2HG GLU 27 3HG GLU 27 -0.708 12.085 -19.461 211 H LEU 28 HN LEU 28 3.446 10.847 -17.436 212 HA LEU 28 HA LEU 28 3.499 9.589 -14.984 213 1HB LEU 28 2HB LEU 28 4.843 9.234 -17.173 214 2HB LEU 28 3HB LEU 28 5.987 10.362 -16.475 215 HG LEU 28 HG LEU 28 6.773 8.870 -14.969 216 1HD1 LEU 28 1HD1 LEU 28 4.738 8.765 -13.652 217 2HD1 LEU 28 2HD1 LEU 28 4.023 7.607 -14.800 218 3HD1 LEU 28 3HD1 LEU 28 5.441 7.139 -13.831 219 1HD2 LEU 28 1HD2 LEU 28 6.847 7.804 -17.258 220 2HD2 LEU 28 2HD2 LEU 28 6.997 6.690 -15.877 221 3HD2 LEU 28 3HD2 LEU 28 5.454 6.817 -16.755 222 H LYS 29 HN LYS 29 4.828 12.779 -16.001 223 HA LYS 29 HA LYS 29 6.352 13.420 -13.868 224 1HB LYS 29 2HB LYS 29 6.032 14.822 -15.860 225 2HB LYS 29 3HB LYS 29 4.408 15.224 -15.340 226 1HG LYS 29 2HG LYS 29 5.155 16.543 -13.535 227 2HG LYS 29 3HG LYS 29 6.691 15.708 -13.421 228 1HD LYS 29 2HD LYS 29 7.466 16.755 -15.522 229 2HD LYS 29 3HD LYS 29 5.901 17.509 -15.759 230 1HE LYS 29 2HE LYS 29 6.349 19.193 -14.272 231 2HE LYS 29 3HE LYS 29 7.055 18.100 -13.099 232 1HZ LYS 29 1HZ LYS 29 8.418 19.009 -15.538 233 2HZ LYS 29 2HZ LYS 29 8.657 19.638 -14.050 234 3HZ LYS 29 3HZ LYS 29 9.070 18.089 -14.357 235 H LEU 30 HN LEU 30 2.758 13.914 -14.095 236 HA LEU 30 HA LEU 30 2.410 14.888 -11.546 237 1HB LEU 30 2HB LEU 30 0.532 13.168 -13.171 238 2HB LEU 30 3HB LEU 30 0.085 14.159 -11.796 239 HG LEU 30 HG LEU 30 0.891 15.012 -14.564 240 1HD1 LEU 30 1HD1 LEU 30 -1.509 15.164 -12.837 241 2HD1 LEU 30 2HD1 LEU 30 -1.160 16.605 -13.823 242 3HD1 LEU 30 3HD1 LEU 30 -1.363 15.019 -14.605 243 1HD2 LEU 30 1HD2 LEU 30 1.127 16.649 -12.039 244 2HD2 LEU 30 2HD2 LEU 30 2.333 16.393 -13.323 245 3HD2 LEU 30 3HD2 LEU 30 0.892 17.389 -13.641 246 H LEU 31 HN LEU 31 2.076 11.446 -12.671 247 HA LEU 31 HA LEU 31 1.598 10.323 -10.225 248 1HB LEU 31 2HB LEU 31 1.665 9.356 -12.634 249 2HB LEU 31 3HB LEU 31 3.339 8.987 -12.272 250 HG LEU 31 HG LEU 31 1.622 8.075 -10.122 251 1HD1 LEU 31 1HD1 LEU 31 -0.183 7.421 -11.258 252 2HD1 LEU 31 2HD1 LEU 31 0.600 7.688 -12.834 253 3HD1 LEU 31 3HD1 LEU 31 0.858 6.160 -11.959 254 1HD2 LEU 31 1HD2 LEU 31 3.244 6.385 -12.024 255 2HD2 LEU 31 2HD2 LEU 31 3.997 7.390 -10.762 256 3HD2 LEU 31 3HD2 LEU 31 2.866 6.093 -10.310 257 H LEU 32 HN LEU 32 4.860 10.500 -11.830 258 HA LEU 32 HA LEU 32 6.336 9.645 -9.710 259 1HB LEU 32 2HB LEU 32 7.110 11.794 -11.687 260 2HB LEU 32 3HB LEU 32 8.205 10.813 -10.733 261 HG LEU 32 HG LEU 32 6.282 9.625 -12.743 262 1HD1 LEU 32 1HD1 LEU 32 8.495 9.428 -14.121 263 2HD1 LEU 32 2HD1 LEU 32 7.539 10.929 -14.168 264 3HD1 LEU 32 3HD1 LEU 32 8.997 10.834 -13.151 265 1HD2 LEU 32 1HD2 LEU 32 8.438 8.577 -10.988 266 2HD2 LEU 32 2HD2 LEU 32 6.928 7.816 -11.543 267 3HD2 LEU 32 3HD2 LEU 32 8.333 7.904 -12.633 268 H GLN 33 HN GLN 33 4.539 12.632 -10.056 269 HA GLN 33 HA GLN 33 6.039 14.112 -8.204 270 1HB GLN 33 2HB GLN 33 4.004 14.660 -9.988 271 2HB GLN 33 3HB GLN 33 3.148 14.754 -8.462 272 1HG GLN 33 2HG GLN 33 5.258 16.204 -7.708 273 2HG GLN 33 3HG GLN 33 5.477 16.422 -9.433 274 1HE2 GLN 33 1HE2 GLN 33 4.098 17.658 -10.604 275 2HE2 GLN 33 2HE2 GLN 33 2.830 18.627 -9.931 276 H THR 34 HN THR 34 2.717 12.641 -7.905 277 HA THR 34 HA THR 34 2.894 12.790 -5.032 278 HB THR 34 HB THR 34 0.866 12.315 -7.154 279 HG1 THR 34 HG1 THR 34 0.850 13.166 -4.344 280 1HG2 THR 34 1HG2 THR 34 -0.701 11.154 -5.622 281 2HG2 THR 34 2HG2 THR 34 0.715 10.117 -5.922 282 3HG2 THR 34 3HG2 THR 34 0.579 11.018 -4.392 283 H GLU 35 HN GLU 35 2.790 10.166 -7.523 284 HA GLU 35 HA GLU 35 2.800 8.046 -5.874 285 1HB GLU 35 2HB GLU 35 2.678 7.798 -8.287 286 2HB GLU 35 3HB GLU 35 4.287 8.459 -8.498 287 1HG GLU 35 2HG GLU 35 4.692 6.335 -6.703 288 2HG GLU 35 3HG GLU 35 3.472 5.712 -7.796 289 H PHE 36 HN PHE 36 5.798 9.637 -7.199 290 HA PHE 36 HA PHE 36 7.099 9.183 -4.661 291 1HB PHE 36 2HB PHE 36 7.618 7.741 -7.274 292 2HB PHE 36 3HB PHE 36 9.039 8.244 -6.380 293 HD1 PHE 36 HD1 PHE 36 9.089 7.552 -3.852 294 HD2 PHE 36 HD2 PHE 36 6.634 5.702 -6.777 295 HE1 PHE 36 HE1 PHE 36 8.901 5.512 -2.403 296 HE2 PHE 36 HE2 PHE 36 6.445 3.661 -5.328 297 HZ PHE 36 HZ PHE 36 7.581 3.591 -3.158 298 HA PRO 37 HA PRO 37 8.368 13.023 -6.583 299 1HB PRO 37 2HB PRO 37 8.308 14.547 -4.316 300 2HB PRO 37 3HB PRO 37 6.940 14.388 -5.400 301 1HG PRO 37 2HG PRO 37 7.355 13.156 -2.745 302 2HG PRO 37 3HG PRO 37 5.862 13.359 -3.640 303 1HD PRO 37 2HD PRO 37 7.371 10.937 -3.347 304 2HD PRO 37 3HD PRO 37 5.943 11.169 -4.335 305 H SER 38 HN SER 38 9.743 10.796 -4.671 306 HA SER 38 HA SER 38 12.066 12.390 -4.092 307 1HB SER 38 2HB SER 38 12.892 10.140 -3.131 308 2HB SER 38 3HB SER 38 11.528 10.897 -2.332 309 HG SER 38 HG SER 38 11.129 8.640 -2.678 310 H LEU 39 HN LEU 39 10.850 10.052 -6.446 311 HA LEU 39 HA LEU 39 13.380 9.219 -7.412 312 1HB LEU 39 2HB LEU 39 10.620 8.647 -7.858 313 2HB LEU 39 3HB LEU 39 11.363 8.998 -9.406 314 HG LEU 39 HG LEU 39 11.305 6.561 -8.591 315 1HD1 LEU 39 1HD1 LEU 39 13.967 7.708 -9.477 316 2HD1 LEU 39 2HD1 LEU 39 13.392 6.038 -9.699 317 3HD1 LEU 39 3HD1 LEU 39 12.580 7.378 -10.543 318 1HD2 LEU 39 1HD2 LEU 39 12.639 7.673 -6.388 319 2HD2 LEU 39 2HD2 LEU 39 12.361 5.950 -6.737 320 3HD2 LEU 39 3HD2 LEU 39 13.868 6.734 -7.269 321 H LEU 40 HN LEU 40 11.453 12.110 -7.737 322 HA LEU 40 HA LEU 40 12.510 12.870 -10.274 323 1HB LEU 40 2HB LEU 40 11.039 14.402 -8.127 324 2HB LEU 40 3HB LEU 40 11.484 15.067 -9.686 325 HG LEU 40 HG LEU 40 9.736 12.616 -9.385 326 1HD1 LEU 40 1HD1 LEU 40 7.808 13.890 -9.366 327 2HD1 LEU 40 2HD1 LEU 40 8.886 14.831 -8.307 328 3HD1 LEU 40 3HD1 LEU 40 8.628 15.340 -9.993 329 1HD2 LEU 40 1HD2 LEU 40 11.029 13.712 -11.605 330 2HD2 LEU 40 2HD2 LEU 40 9.713 12.514 -11.605 331 3HD2 LEU 40 3HD2 LEU 40 9.338 14.248 -11.749 332 H LYS 41 HN LYS 41 13.563 12.995 -6.924 333 HA LYS 41 HA LYS 41 15.366 15.160 -7.264 334 1HB LYS 41 2HB LYS 41 15.121 15.006 -5.051 335 2HB LYS 41 3HB LYS 41 14.494 13.373 -5.149 336 1HG LYS 41 2HG LYS 41 16.666 12.394 -5.055 337 2HG LYS 41 3HG LYS 41 17.462 13.881 -5.530 338 1HD LYS 41 2HD LYS 41 17.177 14.876 -3.389 339 2HD LYS 41 3HD LYS 41 15.874 13.791 -2.948 340 1HE LYS 41 2HE LYS 41 17.519 12.698 -1.774 341 2HE LYS 41 3HE LYS 41 17.864 11.956 -3.323 342 1HZ LYS 41 1HZ LYS 41 19.874 12.803 -2.904 343 2HZ LYS 41 2HZ LYS 41 19.258 14.178 -3.534 344 3HZ LYS 41 3HZ LYS 41 19.335 13.984 -1.914 345 H GLY 42 HN GLY 42 15.475 11.626 -7.744 346 1HA GLY 42 1HA GLY 42 18.083 10.995 -7.778 347 2HA GLY 42 2HA GLY 42 16.943 10.419 -8.978 348 H MET 43 HN MET 43 19.656 10.759 -9.635 349 HA MET 43 HA MET 43 20.128 13.302 -10.729 350 1HB MET 43 2HB MET 43 21.372 10.559 -11.328 351 2HB MET 43 3HB MET 43 22.062 12.085 -11.843 352 1HG MET 43 2HG MET 43 21.558 12.342 -9.034 353 2HG MET 43 3HG MET 43 22.290 10.766 -9.258 354 1HE MET 43 1HE MET 43 25.427 11.651 -8.471 355 2HE MET 43 2HE MET 43 24.681 13.131 -7.824 356 3HE MET 43 3HE MET 43 23.804 11.585 -7.745 357 H SER 44 HN SER 44 17.919 10.949 -11.636 358 HA SER 44 HA SER 44 18.325 11.313 -14.467 359 1HB SER 44 2HB SER 44 16.380 9.626 -12.842 360 2HB SER 44 3HB SER 44 16.296 9.740 -14.589 361 HG SER 44 HG SER 44 17.687 8.104 -14.520 362 H THR 45 HN THR 45 17.688 13.404 -15.043 363 HA THR 45 HA THR 45 15.571 14.786 -13.833 364 HB THR 45 HB THR 45 15.909 16.309 -15.806 365 HG1 THR 45 HG1 THR 45 16.781 15.333 -17.598 366 1HG2 THR 45 1HG2 THR 45 18.582 16.248 -15.717 367 2HG2 THR 45 2HG2 THR 45 17.657 16.786 -14.294 368 3HG2 THR 45 3HG2 THR 45 18.298 15.127 -14.364 369 H LEU 46 HN LEU 46 13.634 15.651 -15.164 370 HA LEU 46 HA LEU 46 11.876 13.578 -15.520 371 1HB LEU 46 2HB LEU 46 11.613 16.184 -15.280 372 2HB LEU 46 3HB LEU 46 11.539 16.136 -17.031 373 HG LEU 46 HG LEU 46 9.338 16.094 -15.717 374 1HD1 LEU 46 1HD1 LEU 46 10.137 14.868 -18.168 375 2HD1 LEU 46 2HD1 LEU 46 8.884 13.855 -17.410 376 3HD1 LEU 46 3HD1 LEU 46 8.564 15.577 -17.728 377 1HD2 LEU 46 1HD2 LEU 46 9.709 13.129 -15.517 378 2HD2 LEU 46 2HD2 LEU 46 10.337 14.178 -14.223 379 3HD2 LEU 46 3HD2 LEU 46 8.605 14.209 -14.632 380 H ASP 47 HN ASP 47 13.301 15.592 -18.194 381 HA ASP 47 HA ASP 47 12.418 14.190 -20.270 382 1HB ASP 47 2HB ASP 47 14.868 15.776 -19.690 383 2HB ASP 47 3HB ASP 47 15.040 14.686 -21.052 384 H GLU 48 HN GLU 48 15.467 13.558 -18.379 385 HA GLU 48 HA GLU 48 16.341 11.403 -19.809 386 1HB GLU 48 2HB GLU 48 16.905 12.657 -17.248 387 2HB GLU 48 3HB GLU 48 16.986 10.916 -17.074 388 1HG GLU 48 2HG GLU 48 18.355 11.120 -19.395 389 2HG GLU 48 3HG GLU 48 18.665 12.735 -18.789 390 H LEU 49 HN LEU 49 14.070 11.532 -16.996 391 HA LEU 49 HA LEU 49 13.783 8.775 -16.707 392 1HB LEU 49 2HB LEU 49 12.959 10.989 -15.373 393 2HB LEU 49 3HB LEU 49 11.453 10.490 -16.117 394 HG LEU 49 HG LEU 49 12.194 8.113 -15.125 395 1HD1 LEU 49 1HD1 LEU 49 13.197 8.407 -12.887 396 2HD1 LEU 49 2HD1 LEU 49 14.306 8.855 -14.205 397 3HD1 LEU 49 3HD1 LEU 49 13.487 10.123 -13.261 398 1HD2 LEU 49 1HD2 LEU 49 10.352 10.156 -14.446 399 2HD2 LEU 49 2HD2 LEU 49 10.270 8.418 -14.069 400 3HD2 LEU 49 3HD2 LEU 49 11.042 9.542 -12.924 401 H PHE 50 HN PHE 50 11.863 11.189 -18.609 402 HA PHE 50 HA PHE 50 9.964 9.468 -19.580 403 1HB PHE 50 2HB PHE 50 10.242 12.031 -19.807 404 2HB PHE 50 3HB PHE 50 11.441 11.732 -21.050 405 HD1 PHE 50 HD1 PHE 50 10.546 12.417 -23.065 406 HD2 PHE 50 HD2 PHE 50 8.113 10.158 -20.423 407 HE1 PHE 50 HE1 PHE 50 8.732 12.345 -24.798 408 HE2 PHE 50 HE2 PHE 50 6.299 10.085 -22.156 409 HZ PHE 50 HZ PHE 50 6.630 11.180 -24.322 410 H GLU 51 HN GLU 51 13.175 10.326 -21.050 411 HA GLU 51 HA GLU 51 12.844 8.684 -23.257 412 1HB GLU 51 2HB GLU 51 14.570 10.160 -23.617 413 2HB GLU 51 3HB GLU 51 15.083 10.144 -21.941 414 1HG GLU 51 2HG GLU 51 16.793 9.085 -23.381 415 2HG GLU 51 3HG GLU 51 16.134 7.918 -22.253 416 H GLU 52 HN GLU 52 14.614 8.140 -20.131 417 HA GLU 52 HA GLU 52 15.519 5.630 -20.693 418 1HB GLU 52 2HB GLU 52 16.135 7.044 -18.707 419 2HB GLU 52 3HB GLU 52 14.582 6.676 -17.984 420 1HG GLU 52 2HG GLU 52 15.240 4.582 -17.339 421 2HG GLU 52 3HG GLU 52 16.009 4.248 -18.878 422 H LEU 53 HN LEU 53 12.441 6.572 -18.998 423 HA LEU 53 HA LEU 53 11.452 4.062 -18.558 424 1HB LEU 53 2HB LEU 53 9.962 6.590 -19.279 425 2HB LEU 53 3HB LEU 53 9.229 5.150 -18.599 426 HG LEU 53 HG LEU 53 11.493 6.443 -17.120 427 1HD1 LEU 53 1HD1 LEU 53 10.317 8.215 -16.308 428 2HD1 LEU 53 2HD1 LEU 53 9.592 8.117 -17.931 429 3HD1 LEU 53 3HD1 LEU 53 8.739 7.422 -16.533 430 1HD2 LEU 53 1HD2 LEU 53 10.773 5.246 -15.348 431 2HD2 LEU 53 2HD2 LEU 53 9.054 5.449 -15.763 432 3HD2 LEU 53 3HD2 LEU 53 10.037 4.231 -16.611 433 H ASP 54 HN ASP 54 10.917 6.150 -21.484 434 HA ASP 54 HA ASP 54 9.549 4.095 -22.817 435 1HB ASP 54 2HB ASP 54 9.236 6.482 -23.369 436 2HB ASP 54 3HB ASP 54 10.921 6.630 -23.826 437 H LYS 55 HN LYS 55 10.711 2.192 -23.272 438 HA LYS 55 HA LYS 55 13.394 2.545 -24.412 439 1HB LYS 55 2HB LYS 55 12.508 0.979 -22.231 440 2HB LYS 55 3HB LYS 55 12.836 -0.150 -23.530 441 1HG LYS 55 2HG LYS 55 14.943 0.094 -22.472 442 2HG LYS 55 3HG LYS 55 15.069 1.142 -23.871 443 1HD LYS 55 2HD LYS 55 14.318 3.080 -22.373 444 2HD LYS 55 3HD LYS 55 14.451 1.993 -21.005 445 1HE LYS 55 2HE LYS 55 16.845 2.039 -22.785 446 2HE LYS 55 3HE LYS 55 16.518 3.554 -21.968 447 1HZ LYS 55 1HZ LYS 55 17.068 2.670 -20.024 448 2HZ LYS 55 2HZ LYS 55 16.265 1.271 -20.278 449 3HZ LYS 55 3HZ LYS 55 17.773 1.467 -20.875 450 H ASN 56 HN ASN 56 10.101 1.586 -24.963 451 HA ASN 56 HA ASN 56 10.612 -0.294 -26.972 452 1HB ASN 56 2HB ASN 56 8.155 1.505 -26.642 453 2HB ASN 56 3HB ASN 56 8.210 -0.012 -27.519 454 1HD2 ASN 56 1HD2 ASN 56 7.335 -1.623 -26.491 455 2HD2 ASN 56 2HD2 ASN 56 7.333 -1.914 -24.784 456 H GLY 57 HN GLY 57 10.455 3.248 -26.763 457 1HA GLY 57 1HA GLY 57 11.079 4.831 -28.250 458 2HA GLY 57 2HA GLY 57 11.550 3.576 -29.379 459 H ASP 58 HN ASP 58 8.434 4.670 -27.838 460 HA ASP 58 HA ASP 58 7.378 4.863 -30.543 461 1HB ASP 58 2HB ASP 58 5.136 4.195 -29.155 462 2HB ASP 58 3HB ASP 58 6.137 3.016 -29.978 463 H GLY 59 HN GLY 59 5.766 5.228 -27.326 464 1HA GLY 59 1HA GLY 59 6.135 7.861 -26.748 465 2HA GLY 59 2HA GLY 59 4.886 7.887 -27.977 466 H GLU 60 HN GLU 60 5.503 5.368 -25.452 467 HA GLU 60 HA GLU 60 3.286 6.293 -23.921 468 1HB GLU 60 2HB GLU 60 1.969 4.189 -24.123 469 2HB GLU 60 3HB GLU 60 2.063 5.055 -25.643 470 1HG GLU 60 2HG GLU 60 4.205 3.521 -26.051 471 2HG GLU 60 3HG GLU 60 3.470 2.503 -24.829 472 H VAL 61 HN VAL 61 3.933 6.033 -21.831 473 HA VAL 61 HA VAL 61 6.012 4.069 -21.305 474 HB VAL 61 HB VAL 61 4.867 6.396 -19.762 475 1HG1 VAL 61 1HG1 VAL 61 6.572 4.128 -18.850 476 2HG1 VAL 61 2HG1 VAL 61 7.034 5.760 -18.310 477 3HG1 VAL 61 3HG1 VAL 61 5.410 5.128 -17.947 478 1HG2 VAL 61 1HG2 VAL 61 7.746 6.068 -20.556 479 2HG2 VAL 61 2HG2 VAL 61 6.555 6.602 -21.766 480 3HG2 VAL 61 3HG2 VAL 61 6.802 7.552 -20.281 481 H SER 62 HN SER 62 3.776 2.700 -21.961 482 HA SER 62 HA SER 62 1.807 2.307 -20.210 483 1HB SER 62 2HB SER 62 2.732 -0.307 -21.015 484 2HB SER 62 3HB SER 62 1.371 0.608 -21.632 485 HG SER 62 HG SER 62 4.122 0.766 -22.521 486 H PHE 63 HN PHE 63 1.483 0.377 -18.622 487 HA PHE 63 HA PHE 63 3.061 0.688 -16.433 488 1HB PHE 63 2HB PHE 63 0.777 -0.520 -16.828 489 2HB PHE 63 3HB PHE 63 1.703 -1.911 -17.358 490 HD1 PHE 63 HD1 PHE 63 2.261 0.425 -14.501 491 HD2 PHE 63 HD2 PHE 63 1.438 -3.547 -15.746 492 HE1 PHE 63 HE1 PHE 63 2.446 -0.358 -12.124 493 HE2 PHE 63 HE2 PHE 63 1.623 -4.331 -13.368 494 HZ PHE 63 HZ PHE 63 2.125 -2.727 -11.586 495 H GLU 64 HN GLU 64 3.609 -1.377 -19.279 496 HA GLU 64 HA GLU 64 5.341 -3.193 -18.245 497 1HB GLU 64 2HB GLU 64 6.426 -2.949 -20.664 498 2HB GLU 64 3HB GLU 64 4.818 -3.615 -20.462 499 1HG GLU 64 2HG GLU 64 3.845 -1.871 -21.558 500 2HG GLU 64 3HG GLU 64 4.730 -0.684 -20.620 501 H GLU 65 HN GLU 65 6.169 0.037 -19.704 502 HA GLU 65 HA GLU 65 8.874 -0.187 -19.061 503 1HB GLU 65 2HB GLU 65 7.191 2.298 -19.606 504 2HB GLU 65 3HB GLU 65 8.943 2.257 -19.601 505 1HG GLU 65 2HG GLU 65 9.041 1.327 -21.684 506 2HG GLU 65 3HG GLU 65 7.803 0.143 -21.311 507 H PHE 66 HN PHE 66 6.007 0.929 -17.288 508 HA PHE 66 HA PHE 66 7.243 2.483 -15.359 509 1HB PHE 66 2HB PHE 66 4.724 1.922 -15.956 510 2HB PHE 66 3HB PHE 66 4.928 0.518 -14.928 511 HD1 PHE 66 HD1 PHE 66 5.838 4.139 -14.662 512 HD2 PHE 66 HD2 PHE 66 3.966 0.783 -12.862 513 HE1 PHE 66 HE1 PHE 66 5.277 5.531 -12.649 514 HE2 PHE 66 HE2 PHE 66 3.405 2.174 -10.850 515 HZ PHE 66 HZ PHE 66 4.067 4.532 -10.768 516 H GLN 67 HN GLN 67 6.834 -1.077 -15.629 517 HA GLN 67 HA GLN 67 7.543 -1.682 -13.031 518 1HB GLN 67 2HB GLN 67 7.981 -3.302 -15.579 519 2HB GLN 67 3HB GLN 67 8.069 -3.952 -13.954 520 1HG GLN 67 2HG GLN 67 5.618 -2.736 -13.827 521 2HG GLN 67 3HG GLN 67 5.670 -3.111 -15.538 522 1HE2 GLN 67 1HE2 GLN 67 3.836 -4.247 -13.835 523 2HE2 GLN 67 2HE2 GLN 67 4.129 -5.946 -13.667 524 H VAL 68 HN VAL 68 9.403 -0.292 -15.568 525 HA VAL 68 HA VAL 68 11.913 -1.445 -14.835 526 HB VAL 68 HB VAL 68 11.295 1.034 -16.452 527 1HG1 VAL 68 1HG1 VAL 68 13.473 1.076 -17.119 528 2HG1 VAL 68 2HG1 VAL 68 13.715 0.308 -15.532 529 3HG1 VAL 68 3HG1 VAL 68 13.661 -0.690 -17.005 530 1HG2 VAL 68 1HG2 VAL 68 10.259 -1.333 -17.093 531 2HG2 VAL 68 2HG2 VAL 68 10.916 -0.230 -18.326 532 3HG2 VAL 68 3HG2 VAL 68 11.895 -1.597 -17.743 533 H LEU 69 HN LEU 69 10.030 1.511 -14.059 534 HA LEU 69 HA LEU 69 12.174 2.697 -12.604 535 1HB LEU 69 2HB LEU 69 9.965 3.654 -13.770 536 2HB LEU 69 3HB LEU 69 9.346 3.482 -12.140 537 HG LEU 69 HG LEU 69 11.146 4.918 -11.281 538 1HD1 LEU 69 1HD1 LEU 69 12.295 4.423 -13.886 539 2HD1 LEU 69 2HD1 LEU 69 12.167 6.171 -13.573 540 3HD1 LEU 69 3HD1 LEU 69 13.036 5.122 -12.427 541 1HD2 LEU 69 1HD2 LEU 69 9.313 5.927 -13.435 542 2HD2 LEU 69 2HD2 LEU 69 9.228 6.146 -11.671 543 3HD2 LEU 69 3HD2 LEU 69 10.441 7.038 -12.622 544 H VAL 70 HN VAL 70 9.490 0.465 -11.917 545 HA VAL 70 HA VAL 70 9.306 0.728 -9.195 546 HB VAL 70 HB VAL 70 8.908 -1.475 -11.167 547 1HG1 VAL 70 1HG1 VAL 70 8.186 -3.032 -9.426 548 2HG1 VAL 70 2HG1 VAL 70 9.904 -2.613 -9.218 549 3HG1 VAL 70 3HG1 VAL 70 8.673 -1.874 -8.164 550 1HG2 VAL 70 1HG2 VAL 70 7.124 -0.020 -9.188 551 2HG2 VAL 70 2HG2 VAL 70 7.167 0.182 -10.956 552 3HG2 VAL 70 3HG2 VAL 70 6.586 -1.345 -10.248 553 H LYS 71 HN LYS 71 11.962 -0.458 -11.156 554 HA LYS 71 HA LYS 71 13.170 -2.036 -9.136 555 1HB LYS 71 2HB LYS 71 13.505 -1.702 -11.842 556 2HB LYS 71 3HB LYS 71 14.910 -0.867 -11.211 557 1HG LYS 71 2HG LYS 71 14.673 -3.250 -9.661 558 2HG LYS 71 3HG LYS 71 14.377 -3.734 -11.319 559 1HD LYS 71 2HD LYS 71 16.494 -2.569 -12.019 560 2HD LYS 71 3HD LYS 71 16.795 -2.137 -10.347 561 1HE LYS 71 2HE LYS 71 16.750 -4.619 -9.768 562 2HE LYS 71 3HE LYS 71 16.626 -4.969 -11.480 563 1HZ LYS 71 1HZ LYS 71 18.730 -3.159 -10.900 564 2HZ LYS 71 2HZ LYS 71 18.914 -4.579 -10.116 565 3HZ LYS 71 3HZ LYS 71 18.768 -4.558 -11.742 566 H LYS 72 HN LYS 72 13.623 1.356 -10.319 567 HA LYS 72 HA LYS 72 15.655 1.905 -8.423 568 1HB LYS 72 2HB LYS 72 13.917 3.785 -10.050 569 2HB LYS 72 3HB LYS 72 15.368 4.233 -9.177 570 1HG LYS 72 2HG LYS 72 16.447 3.785 -11.142 571 2HG LYS 72 3HG LYS 72 16.312 2.107 -10.654 572 1HD LYS 72 2HD LYS 72 14.439 1.706 -12.053 573 2HD LYS 72 3HD LYS 72 14.016 3.404 -12.146 574 1HE LYS 72 2HE LYS 72 16.680 3.154 -13.194 575 2HE LYS 72 3HE LYS 72 15.729 1.870 -13.914 576 1HZ LYS 72 1HZ LYS 72 15.733 4.386 -14.757 577 2HZ LYS 72 2HZ LYS 72 14.514 3.336 -15.039 578 3HZ LYS 72 3HZ LYS 72 14.403 4.404 -13.809 579 H ILE 73 HN ILE 73 12.091 2.159 -8.498 580 HA ILE 73 HA ILE 73 11.976 3.688 -6.092 581 HB ILE 73 HB ILE 73 9.975 2.267 -7.824 582 1HG1 ILE 73 2HG1 ILE 73 10.189 5.195 -7.086 583 2HG1 ILE 73 3HG1 ILE 73 11.023 4.497 -8.460 584 1HG2 ILE 73 1HG2 ILE 73 9.280 1.976 -5.469 585 2HG2 ILE 73 2HG2 ILE 73 9.342 3.742 -5.254 586 3HG2 ILE 73 3HG2 ILE 73 8.179 3.024 -6.395 587 1HD1 ILE 73 1HD1 ILE 73 8.044 4.048 -8.105 588 2HD1 ILE 73 2HD1 ILE 73 8.656 5.550 -8.838 589 3HD1 ILE 73 3HD1 ILE 73 9.012 3.980 -9.597 590 H SER 74 HN SER 74 12.698 0.425 -6.842 591 HA SER 74 HA SER 74 11.547 -0.591 -4.418 592 1HB SER 74 2HB SER 74 11.467 -2.102 -6.271 593 2HB SER 74 3HB SER 74 13.142 -1.811 -6.695 594 HG SER 74 HG SER 74 12.048 -3.554 -4.782 595 H GLN 75 HN GLN 75 14.747 0.267 -5.819 596 HA GLN 75 HA GLN 75 16.214 -0.761 -3.659 597 1HB GLN 75 2HB GLN 75 16.765 0.337 -6.201 598 2HB GLN 75 3HB GLN 75 17.529 1.442 -5.076 599 1HG GLN 75 2HG GLN 75 19.245 -0.101 -5.246 600 2HG GLN 75 3HG GLN 75 18.360 -0.851 -3.933 601 1HE2 GLN 75 1HE2 GLN 75 18.056 -0.640 -7.481 602 2HE2 GLN 75 2HE2 GLN 75 17.857 -2.334 -7.784 Start of MODEL 24 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.000 -1.001 -1.671 3 1HB LYS 1 2HB LYS 1 0.827 1.695 -1.722 4 2HB LYS 1 3HB LYS 1 2.224 1.523 -2.765 5 1HG LYS 1 2HG LYS 1 1.231 -0.251 -4.018 6 2HG LYS 1 3HG LYS 1 0.044 -0.591 -2.774 7 1HD LYS 1 2HD LYS 1 -0.719 1.930 -3.259 8 2HD LYS 1 3HD LYS 1 0.087 1.660 -4.792 9 1HE LYS 1 2HE LYS 1 -1.506 0.164 -5.527 10 2HE LYS 1 3HE LYS 1 -1.710 -0.562 -3.945 11 1HZ LYS 1 1HZ LYS 1 -3.395 1.194 -5.104 12 2HZ LYS 1 2HZ LYS 1 -3.399 0.777 -3.525 13 3HZ LYS 1 3HZ LYS 1 -2.612 2.122 -4.012 14 H SER 2 HN SER 2 3.083 2.196 -0.310 15 HA SER 2 HA SER 2 5.770 1.507 -0.936 16 1HB SER 2 2HB SER 2 4.329 3.890 0.189 17 2HB SER 2 3HB SER 2 6.039 3.755 0.547 18 HG SER 2 HG SER 2 6.328 3.431 -1.852 19 HA PRO 3 HA PRO 3 6.916 -0.011 2.978 20 1HB PRO 3 2HB PRO 3 9.515 0.792 3.237 21 2HB PRO 3 3HB PRO 3 9.029 -0.578 2.259 22 1HG PRO 3 2HG PRO 3 9.866 2.119 1.384 23 2HG PRO 3 3HG PRO 3 9.790 0.637 0.452 24 1HD PRO 3 2HD PRO 3 7.926 2.815 0.368 25 2HD PRO 3 3HD PRO 3 7.789 1.285 -0.476 26 H GLU 4 HN GLU 4 7.702 3.377 2.549 27 HA GLU 4 HA GLU 4 8.031 3.938 5.223 28 1HB GLU 4 2HB GLU 4 8.083 5.357 2.818 29 2HB GLU 4 3HB GLU 4 6.745 6.098 3.673 30 1HG GLU 4 2HG GLU 4 9.112 5.610 5.395 31 2HG GLU 4 3HG GLU 4 9.437 6.699 4.061 32 H GLU 5 HN GLU 5 5.120 3.401 3.276 33 HA GLU 5 HA GLU 5 3.340 4.678 5.011 34 1HB GLU 5 2HB GLU 5 3.208 2.922 2.639 35 2HB GLU 5 3HB GLU 5 1.870 2.673 3.742 36 1HG GLU 5 2HG GLU 5 2.023 5.439 3.699 37 2HG GLU 5 3HG GLU 5 2.524 5.045 2.067 38 H LEU 6 HN LEU 6 4.726 1.378 4.841 39 HA LEU 6 HA LEU 6 2.997 0.106 6.586 40 1HB LEU 6 2HB LEU 6 5.855 -0.290 5.780 41 2HB LEU 6 3HB LEU 6 5.167 -1.270 7.059 42 HG LEU 6 HG LEU 6 3.771 -1.062 4.401 43 1HD1 LEU 6 1HD1 LEU 6 5.655 -3.326 4.811 44 2HD1 LEU 6 2HD1 LEU 6 5.139 -2.509 3.316 45 3HD1 LEU 6 3HD1 LEU 6 6.356 -1.750 4.372 46 1HD2 LEU 6 1HD2 LEU 6 3.859 -3.603 5.892 47 2HD2 LEU 6 2HD2 LEU 6 3.053 -2.261 6.739 48 3HD2 LEU 6 3HD2 LEU 6 2.493 -2.759 5.125 49 H LYS 7 HN LYS 7 5.948 2.086 7.221 50 HA LYS 7 HA LYS 7 5.989 1.642 9.979 51 1HB LYS 7 2HB LYS 7 7.679 2.773 8.236 52 2HB LYS 7 3HB LYS 7 6.946 4.238 8.858 53 1HG LYS 7 2HG LYS 7 7.986 2.063 10.718 54 2HG LYS 7 3HG LYS 7 9.038 3.321 10.101 55 1HD LYS 7 2HD LYS 7 7.664 5.071 11.122 56 2HD LYS 7 3HD LYS 7 6.426 3.913 11.565 57 1HE LYS 7 2HE LYS 7 7.553 3.248 13.441 58 2HE LYS 7 3HE LYS 7 9.084 3.141 12.594 59 1HZ LYS 7 1HZ LYS 7 9.638 5.151 13.291 60 2HZ LYS 7 2HZ LYS 7 8.200 5.820 12.905 61 3HZ LYS 7 3HZ LYS 7 8.390 5.066 14.340 62 H GLY 8 HN GLY 8 4.576 4.359 8.025 63 1HA GLY 8 1HA GLY 8 3.497 5.804 10.131 64 2HA GLY 8 2HA GLY 8 2.900 5.782 8.484 65 H ILE 9 HN ILE 9 1.905 3.274 8.050 66 HA ILE 9 HA ILE 9 -0.542 3.326 9.319 67 HB ILE 9 HB ILE 9 0.941 1.160 7.843 68 1HG1 ILE 9 2HG1 ILE 9 -1.251 3.107 7.086 69 2HG1 ILE 9 3HG1 ILE 9 0.390 3.059 6.474 70 1HG2 ILE 9 1HG2 ILE 9 -1.310 0.809 9.547 71 2HG2 ILE 9 2HG2 ILE 9 -1.871 0.674 7.863 72 3HG2 ILE 9 3HG2 ILE 9 -0.549 -0.365 8.446 73 1HD1 ILE 9 1HD1 ILE 9 -0.470 0.472 5.957 74 2HD1 ILE 9 2HD1 ILE 9 -1.954 1.423 5.706 75 3HD1 ILE 9 3HD1 ILE 9 -0.484 1.807 4.779 76 H PHE 10 HN PHE 10 2.370 1.285 10.020 77 HA PHE 10 HA PHE 10 1.321 -0.227 12.034 78 1HB PHE 10 2HB PHE 10 3.560 -0.642 11.229 79 2HB PHE 10 3HB PHE 10 4.022 1.040 11.395 80 HD1 PHE 10 HD1 PHE 10 3.769 -2.170 13.062 81 HD2 PHE 10 HD2 PHE 10 4.565 1.959 13.630 82 HE1 PHE 10 HE1 PHE 10 4.823 -2.679 15.282 83 HE2 PHE 10 HE2 PHE 10 5.619 1.451 15.850 84 HZ PHE 10 HZ PHE 10 5.736 -0.862 16.650 85 H GLU 11 HN GLU 11 3.034 2.966 12.370 86 HA GLU 11 HA GLU 11 2.665 3.108 15.109 87 1HB GLU 11 2HB GLU 11 3.716 4.774 12.984 88 2HB GLU 11 3HB GLU 11 2.730 5.764 14.043 89 1HG GLU 11 2HG GLU 11 4.136 4.232 15.879 90 2HG GLU 11 3HG GLU 11 5.316 4.399 14.594 91 H LYS 12 HN LYS 12 0.652 4.196 12.336 92 HA LYS 12 HA LYS 12 -1.158 5.740 13.763 93 1HB LYS 12 2HB LYS 12 -0.764 5.028 11.133 94 2HB LYS 12 3HB LYS 12 -2.269 4.212 11.505 95 1HG LYS 12 2HG LYS 12 -2.661 6.690 12.703 96 2HG LYS 12 3HG LYS 12 -1.697 7.121 11.305 97 1HD LYS 12 2HD LYS 12 -3.292 6.190 9.771 98 2HD LYS 12 3HD LYS 12 -4.104 5.283 11.030 99 1HE LYS 12 2HE LYS 12 -5.524 7.167 10.576 100 2HE LYS 12 3HE LYS 12 -4.741 7.526 12.102 101 1HZ LYS 12 1HZ LYS 12 -3.397 8.409 9.699 102 2HZ LYS 12 2HZ LYS 12 -4.755 9.210 10.125 103 3HZ LYS 12 3HZ LYS 12 -3.495 9.130 11.161 104 H TYR 13 HN TYR 13 -0.675 2.255 13.595 105 HA TYR 13 HA TYR 13 -3.280 1.779 14.819 106 1HB TYR 13 2HB TYR 13 -1.034 0.279 13.439 107 2HB TYR 13 3HB TYR 13 -1.950 -0.637 14.619 108 HD1 TYR 13 HD1 TYR 13 -2.540 1.624 11.679 109 HD2 TYR 13 HD2 TYR 13 -3.825 -1.802 13.895 110 HE1 TYR 13 HE1 TYR 13 -4.335 1.163 9.939 111 HE2 TYR 13 HE2 TYR 13 -5.616 -2.252 12.148 112 HH TYR 13 HH TYR 13 -6.007 -1.777 9.811 113 H ALA 14 HN ALA 14 0.260 1.450 15.458 114 HA ALA 14 HA ALA 14 -0.051 0.223 17.967 115 1HB ALA 14 1HB ALA 14 2.286 1.988 17.243 116 2HB ALA 14 2HB ALA 14 2.271 0.431 18.105 117 3HB ALA 14 3HB ALA 14 2.005 0.477 16.346 118 H ALA 15 HN ALA 15 -0.580 3.468 16.819 119 HA ALA 15 HA ALA 15 -0.155 4.670 19.409 120 1HB ALA 15 1HB ALA 15 -0.910 6.723 18.222 121 2HB ALA 15 2HB ALA 15 0.414 5.897 17.365 122 3HB ALA 15 3HB ALA 15 -1.260 5.740 16.780 123 H LYS 16 HN LYS 16 -2.700 3.093 17.583 124 HA LYS 16 HA LYS 16 -4.938 4.332 18.612 125 1HB LYS 16 2HB LYS 16 -4.344 2.099 17.010 126 2HB LYS 16 3HB LYS 16 -5.300 1.466 18.334 127 1HG LYS 16 2HG LYS 16 -6.925 3.443 17.913 128 2HG LYS 16 3HG LYS 16 -6.047 3.717 16.421 129 1HD LYS 16 2HD LYS 16 -6.823 1.757 15.428 130 2HD LYS 16 3HD LYS 16 -6.946 0.900 16.951 131 1HE LYS 16 2HE LYS 16 -9.137 1.458 17.176 132 2HE LYS 16 3HE LYS 16 -8.786 3.161 16.958 133 1HZ LYS 16 1HZ LYS 16 -8.538 2.384 14.494 134 2HZ LYS 16 2HZ LYS 16 -9.544 1.193 14.980 135 3HZ LYS 16 3HZ LYS 16 -10.000 2.754 15.121 136 H GLU 17 HN GLU 17 -3.517 1.208 19.818 137 HA GLU 17 HA GLU 17 -4.512 2.017 22.439 138 1HB GLU 17 2HB GLU 17 -4.335 -0.684 21.084 139 2HB GLU 17 3HB GLU 17 -4.333 -0.590 22.834 140 1HG GLU 17 2HG GLU 17 -6.420 1.149 22.033 141 2HG GLU 17 3HG GLU 17 -6.563 -0.230 20.961 142 H GLY 18 HN GLY 18 -3.040 2.218 24.101 143 1HA GLY 18 1HA GLY 18 -1.075 2.211 25.190 144 2HA GLY 18 2HA GLY 18 -0.679 0.727 24.345 145 H ASP 19 HN ASP 19 1.485 2.185 24.749 146 HA ASP 19 HA ASP 19 1.991 4.321 23.135 147 1HB ASP 19 2HB ASP 19 3.427 3.130 24.988 148 2HB ASP 19 3HB ASP 19 4.056 2.155 23.674 149 HA PRO 20 HA PRO 20 2.256 2.436 19.176 150 1HB PRO 20 2HB PRO 20 3.537 4.405 17.780 151 2HB PRO 20 3HB PRO 20 1.816 4.429 18.111 152 1HG PRO 20 2HG PRO 20 3.969 6.013 19.374 153 2HG PRO 20 3HG PRO 20 2.242 6.311 19.376 154 1HD PRO 20 2HD PRO 20 3.801 5.241 21.533 155 2HD PRO 20 3HD PRO 20 2.060 5.430 21.492 156 H ASN 21 HN ASN 21 4.742 2.700 21.234 157 HA ASN 21 HA ASN 21 6.712 1.870 19.307 158 1HB ASN 21 2HB ASN 21 6.788 2.436 22.310 159 2HB ASN 21 3HB ASN 21 8.170 1.764 21.467 160 1HD2 ASN 21 1HD2 ASN 21 8.627 2.949 19.299 161 2HD2 ASN 21 2HD2 ASN 21 8.715 4.676 19.387 162 H GLN 22 HN GLN 22 4.172 0.458 20.953 163 HA GLN 22 HA GLN 22 5.478 -2.113 20.876 164 1HB GLN 22 2HB GLN 22 4.098 -2.535 23.151 165 2HB GLN 22 3HB GLN 22 5.760 -1.978 23.155 166 1HG GLN 22 2HG GLN 22 5.177 0.224 23.711 167 2HG GLN 22 3HG GLN 22 3.590 0.108 22.976 168 1HE2 GLN 22 1HE2 GLN 22 3.629 1.229 25.333 169 2HE2 GLN 22 2HE2 GLN 22 3.033 0.205 26.597 170 H LEU 23 HN LEU 23 4.182 -3.536 19.787 171 HA LEU 23 HA LEU 23 1.458 -2.705 19.261 172 1HB LEU 23 2HB LEU 23 3.363 -4.702 18.099 173 2HB LEU 23 3HB LEU 23 1.643 -4.879 17.814 174 HG LEU 23 HG LEU 23 3.050 -3.645 16.060 175 1HD1 LEU 23 1HD1 LEU 23 1.184 -2.562 15.294 176 2HD1 LEU 23 2HD1 LEU 23 0.449 -3.644 16.502 177 3HD1 LEU 23 3HD1 LEU 23 0.745 -1.935 16.901 178 1HD2 LEU 23 1HD2 LEU 23 4.380 -2.173 17.305 179 2HD2 LEU 23 2HD2 LEU 23 3.153 -1.133 16.544 180 3HD2 LEU 23 3HD2 LEU 23 2.999 -1.582 18.259 181 H SER 24 HN SER 24 -0.351 -4.287 19.464 182 HA SER 24 HA SER 24 0.164 -6.142 21.651 183 1HB SER 24 2HB SER 24 -2.325 -4.405 21.344 184 2HB SER 24 3HB SER 24 -2.022 -5.549 22.637 185 HG SER 24 HG SER 24 -1.141 -3.884 23.652 186 H LYS 25 HN LYS 25 -1.541 -7.921 21.775 187 HA LYS 25 HA LYS 25 -1.843 -9.145 19.314 188 1HB LYS 25 2HB LYS 25 -1.815 -10.310 21.482 189 2HB LYS 25 3HB LYS 25 -3.370 -9.616 21.892 190 1HG LYS 25 2HG LYS 25 -3.991 -10.690 19.456 191 2HG LYS 25 3HG LYS 25 -2.716 -11.791 19.937 192 1HD LYS 25 2HD LYS 25 -4.326 -12.896 21.111 193 2HD LYS 25 3HD LYS 25 -4.196 -11.596 22.279 194 1HE LYS 25 2HE LYS 25 -5.897 -10.689 20.123 195 2HE LYS 25 3HE LYS 25 -6.451 -12.276 20.618 196 1HZ LYS 25 1HZ LYS 25 -6.114 -9.910 22.313 197 2HZ LYS 25 2HZ LYS 25 -7.491 -10.728 21.998 198 3HZ LYS 25 3HZ LYS 25 -6.336 -11.404 22.934 199 H GLU 26 HN GLU 26 -4.404 -7.560 21.355 200 HA GLU 26 HA GLU 26 -6.389 -7.794 19.483 201 1HB GLU 26 2HB GLU 26 -5.993 -6.502 22.020 202 2HB GLU 26 3HB GLU 26 -6.741 -5.333 20.949 203 1HG GLU 26 2HG GLU 26 -8.188 -7.634 20.368 204 2HG GLU 26 3HG GLU 26 -7.855 -7.847 22.075 205 H GLU 27 HN GLU 27 -3.802 -5.346 19.853 206 HA GLU 27 HA GLU 27 -4.902 -3.528 18.038 207 1HB GLU 27 2HB GLU 27 -2.275 -3.936 19.404 208 2HB GLU 27 3HB GLU 27 -2.227 -2.980 17.937 209 1HG GLU 27 2HG GLU 27 -4.504 -2.207 19.621 210 2HG GLU 27 3HG GLU 27 -2.999 -2.095 20.511 211 H LEU 28 HN LEU 28 -2.132 -5.869 17.684 212 HA LEU 28 HA LEU 28 -1.718 -5.484 14.996 213 1HB LEU 28 2HB LEU 28 -0.437 -6.831 16.813 214 2HB LEU 28 3HB LEU 28 -1.434 -8.175 16.292 215 HG LEU 28 HG LEU 28 -0.370 -8.391 14.283 216 1HD1 LEU 28 1HD1 LEU 28 -0.893 -6.306 13.286 217 2HD1 LEU 28 2HD1 LEU 28 0.189 -5.422 14.389 218 3HD1 LEU 28 3HD1 LEU 28 0.871 -6.504 13.151 219 1HD2 LEU 28 1HD2 LEU 28 1.698 -7.090 16.070 220 2HD2 LEU 28 2HD2 LEU 28 1.323 -8.822 15.911 221 3HD2 LEU 28 3HD2 LEU 28 2.082 -7.948 14.559 222 H LYS 29 HN LYS 29 -4.212 -7.386 16.699 223 HA LYS 29 HA LYS 29 -5.086 -8.981 14.650 224 1HB LYS 29 2HB LYS 29 -5.848 -9.105 16.990 225 2HB LYS 29 3HB LYS 29 -6.733 -7.605 16.794 226 1HG LYS 29 2HG LYS 29 -8.254 -8.580 15.202 227 2HG LYS 29 3HG LYS 29 -7.225 -9.976 14.950 228 1HD LYS 29 2HD LYS 29 -7.743 -10.898 17.102 229 2HD LYS 29 3HD LYS 29 -8.384 -9.379 17.696 230 1HE LYS 29 2HE LYS 29 -10.199 -9.588 15.858 231 2HE LYS 29 3HE LYS 29 -9.641 -11.233 15.628 232 1HZ LYS 29 1HZ LYS 29 -9.938 -10.960 18.317 233 2HZ LYS 29 2HZ LYS 29 -11.234 -10.183 17.699 234 3HZ LYS 29 3HZ LYS 29 -10.953 -11.743 17.306 235 H LEU 30 HN LEU 30 -6.188 -5.614 15.459 236 HA LEU 30 HA LEU 30 -7.950 -5.346 13.360 237 1HB LEU 30 2HB LEU 30 -6.228 -3.236 14.669 238 2HB LEU 30 3HB LEU 30 -7.641 -2.929 13.679 239 HG LEU 30 HG LEU 30 -7.508 -4.161 16.428 240 1HD1 LEU 30 1HD1 LEU 30 -8.809 -1.717 15.229 241 2HD1 LEU 30 2HD1 LEU 30 -9.305 -2.382 16.803 242 3HD1 LEU 30 3HD1 LEU 30 -7.633 -1.822 16.561 243 1HD2 LEU 30 1HD2 LEU 30 -10.022 -4.464 16.186 244 2HD2 LEU 30 2HD2 LEU 30 -9.766 -4.334 14.429 245 3HD2 LEU 30 3HD2 LEU 30 -8.987 -5.645 15.348 246 H LEU 31 HN LEU 31 -4.466 -4.309 13.491 247 HA LEU 31 HA LEU 31 -4.260 -3.433 10.911 248 1HB LEU 31 2HB LEU 31 -2.609 -3.452 12.922 249 2HB LEU 31 3HB LEU 31 -2.045 -4.962 12.235 250 HG LEU 31 HG LEU 31 -2.165 -3.034 10.125 251 1HD1 LEU 31 1HD1 LEU 31 -0.147 -1.722 11.483 252 2HD1 LEU 31 2HD1 LEU 31 -1.781 -1.096 11.158 253 3HD1 LEU 31 3HD1 LEU 31 -1.425 -1.891 12.710 254 1HD2 LEU 31 1HD2 LEU 31 -0.226 -4.851 11.401 255 2HD2 LEU 31 2HD2 LEU 31 -0.563 -4.542 9.681 256 3HD2 LEU 31 3HD2 LEU 31 0.488 -3.434 10.595 257 H LEU 32 HN LEU 32 -3.265 -6.744 12.048 258 HA LEU 32 HA LEU 32 -2.861 -7.836 9.586 259 1HB LEU 32 2HB LEU 32 -4.036 -9.229 11.994 260 2HB LEU 32 3HB LEU 32 -3.206 -9.989 10.651 261 HG LEU 32 HG LEU 32 -1.849 -7.947 12.416 262 1HD1 LEU 32 1HD1 LEU 32 -0.811 -10.189 13.387 263 2HD1 LEU 32 2HD1 LEU 32 -2.280 -9.453 14.071 264 3HD1 LEU 32 3HD1 LEU 32 -2.414 -10.828 12.948 265 1HD2 LEU 32 1HD2 LEU 32 -0.072 -8.267 11.127 266 2HD2 LEU 32 2HD2 LEU 32 -0.177 -10.033 11.326 267 3HD2 LEU 32 3HD2 LEU 32 -1.096 -9.227 10.033 268 H GLN 33 HN GLN 33 -5.872 -6.833 11.068 269 HA GLN 33 HA GLN 33 -7.536 -8.525 9.577 270 1HB GLN 33 2HB GLN 33 -7.861 -6.744 11.681 271 2HB GLN 33 3HB GLN 33 -8.664 -5.902 10.371 272 1HG GLN 33 2HG GLN 33 -10.315 -7.528 10.136 273 2HG GLN 33 3HG GLN 33 -9.260 -8.833 10.641 274 1HE2 GLN 33 1HE2 GLN 33 -11.903 -7.178 11.468 275 2HE2 GLN 33 2HE2 GLN 33 -11.877 -7.286 13.197 276 H THR 34 HN THR 34 -6.924 -4.945 9.271 277 HA THR 34 HA THR 34 -7.978 -4.983 6.585 278 HB THR 34 HB THR 34 -7.247 -3.023 8.702 279 HG1 THR 34 HG1 THR 34 -8.990 -3.130 6.340 280 1HG2 THR 34 1HG2 THR 34 -5.682 -2.179 6.993 281 2HG2 THR 34 2HG2 THR 34 -6.911 -2.391 5.723 282 3HG2 THR 34 3HG2 THR 34 -7.139 -1.155 6.984 283 H GLU 35 HN GLU 35 -4.763 -4.423 8.149 284 HA GLU 35 HA GLU 35 -3.342 -3.838 5.944 285 1HB GLU 35 2HB GLU 35 -2.347 -3.804 8.159 286 2HB GLU 35 3HB GLU 35 -2.567 -5.531 8.354 287 1HG GLU 35 2HG GLU 35 -0.452 -5.764 7.551 288 2HG GLU 35 3HG GLU 35 -1.110 -5.375 5.975 289 H PHE 36 HN PHE 36 -3.853 -7.190 7.272 290 HA PHE 36 HA PHE 36 -3.928 -8.189 4.563 291 1HB PHE 36 2HB PHE 36 -1.854 -8.904 6.714 292 2HB PHE 36 3HB PHE 36 -2.158 -9.955 5.345 293 HD1 PHE 36 HD1 PHE 36 -2.122 -8.579 2.996 294 HD2 PHE 36 HD2 PHE 36 -0.028 -7.522 6.533 295 HE1 PHE 36 HE1 PHE 36 -0.469 -7.277 1.628 296 HE2 PHE 36 HE2 PHE 36 1.625 -6.219 5.165 297 HZ PHE 36 HZ PHE 36 1.385 -6.112 2.729 298 HA PRO 37 HA PRO 37 -6.756 -10.362 7.268 299 1HB PRO 37 2HB PRO 37 -8.849 -10.474 5.515 300 2HB PRO 37 3HB PRO 37 -8.640 -9.178 6.675 301 1HG PRO 37 2HG PRO 37 -8.164 -9.148 3.758 302 2HG PRO 37 3HG PRO 37 -8.372 -7.793 4.850 303 1HD PRO 37 2HD PRO 37 -5.902 -8.739 3.740 304 2HD PRO 37 3HD PRO 37 -6.099 -7.459 4.921 305 H SER 38 HN SER 38 -4.935 -11.118 4.709 306 HA SER 38 HA SER 38 -6.186 -13.665 4.252 307 1HB SER 38 2HB SER 38 -4.275 -13.973 2.629 308 2HB SER 38 3HB SER 38 -5.273 -12.570 2.303 309 HG SER 38 HG SER 38 -2.579 -12.716 3.079 310 H LEU 39 HN LEU 39 -3.446 -12.195 5.992 311 HA LEU 39 HA LEU 39 -2.056 -14.609 6.469 312 1HB LEU 39 2HB LEU 39 -1.780 -11.813 7.032 313 2HB LEU 39 3HB LEU 39 -1.530 -12.717 8.512 314 HG LEU 39 HG LEU 39 0.530 -12.206 7.140 315 1HD1 LEU 39 1HD1 LEU 39 1.532 -14.449 7.495 316 2HD1 LEU 39 2HD1 LEU 39 0.606 -13.855 8.895 317 3HD1 LEU 39 3HD1 LEU 39 -0.095 -15.091 7.823 318 1HD2 LEU 39 1HD2 LEU 39 0.537 -14.382 5.371 319 2HD2 LEU 39 2HD2 LEU 39 -1.023 -13.564 5.116 320 3HD2 LEU 39 3HD2 LEU 39 0.497 -12.649 4.966 321 H LEU 40 HN LEU 40 -4.965 -13.171 7.758 322 HA LEU 40 HA LEU 40 -4.824 -14.469 10.292 323 1HB LEU 40 2HB LEU 40 -7.040 -13.090 8.779 324 2HB LEU 40 3HB LEU 40 -7.256 -13.796 10.368 325 HG LEU 40 HG LEU 40 -5.086 -11.763 9.906 326 1HD1 LEU 40 1HD1 LEU 40 -7.980 -11.296 9.754 327 2HD1 LEU 40 2HD1 LEU 40 -7.143 -10.278 10.951 328 3HD1 LEU 40 3HD1 LEU 40 -6.616 -10.269 9.251 329 1HD2 LEU 40 1HD2 LEU 40 -6.317 -13.119 12.190 330 2HD2 LEU 40 2HD2 LEU 40 -4.743 -12.300 12.046 331 3HD2 LEU 40 3HD2 LEU 40 -6.211 -11.353 12.388 332 H LYS 41 HN LYS 41 -5.874 -15.302 7.020 333 HA LYS 41 HA LYS 41 -7.552 -17.444 7.761 334 1HB LYS 41 2HB LYS 41 -7.827 -17.760 5.517 335 2HB LYS 41 3HB LYS 41 -7.257 -16.103 5.506 336 1HG LYS 41 2HG LYS 41 -5.787 -16.971 3.945 337 2HG LYS 41 3HG LYS 41 -4.848 -17.305 5.386 338 1HD LYS 41 2HD LYS 41 -5.651 -19.612 5.468 339 2HD LYS 41 3HD LYS 41 -6.821 -19.307 4.199 340 1HE LYS 41 2HE LYS 41 -4.177 -18.538 3.260 341 2HE LYS 41 3HE LYS 41 -4.106 -20.165 3.905 342 1HZ LYS 41 1HZ LYS 41 -5.233 -20.897 2.176 343 2HZ LYS 41 2HZ LYS 41 -6.428 -19.798 2.356 344 3HZ LYS 41 3HZ LYS 41 -5.099 -19.423 1.485 345 H GLY 42 HN GLY 42 -4.040 -17.048 7.309 346 1HA GLY 42 1HA GLY 42 -3.101 -19.542 6.925 347 2HA GLY 42 2HA GLY 42 -2.362 -18.390 8.019 348 H MET 43 HN MET 43 -2.126 -21.123 8.540 349 HA MET 43 HA MET 43 -4.200 -21.983 10.256 350 1HB MET 43 2HB MET 43 -1.308 -22.939 9.874 351 2HB MET 43 3HB MET 43 -2.522 -23.827 10.773 352 1HG MET 43 2HG MET 43 -3.493 -24.640 8.870 353 2HG MET 43 3HG MET 43 -3.495 -23.068 8.096 354 1HE MET 43 1HE MET 43 -2.162 -22.182 6.713 355 2HE MET 43 2HE MET 43 -0.422 -22.207 7.085 356 3HE MET 43 3HE MET 43 -1.036 -23.050 5.642 357 H SER 44 HN SER 44 -1.941 -19.556 10.629 358 HA SER 44 HA SER 44 -1.354 -20.187 13.384 359 1HB SER 44 2HB SER 44 -0.148 -17.831 13.112 360 2HB SER 44 3HB SER 44 0.572 -19.289 12.457 361 HG SER 44 HG SER 44 0.451 -18.410 10.519 362 H THR 45 HN THR 45 -3.212 -19.845 14.623 363 HA THR 45 HA THR 45 -5.108 -17.853 14.097 364 HB THR 45 HB THR 45 -5.897 -18.487 16.394 365 HG1 THR 45 HG1 THR 45 -4.396 -20.039 17.485 366 1HG2 THR 45 1HG2 THR 45 -5.878 -20.187 14.267 367 2HG2 THR 45 2HG2 THR 45 -4.805 -21.094 15.360 368 3HG2 THR 45 3HG2 THR 45 -6.461 -20.689 15.872 369 H LEU 46 HN LEU 46 -5.700 -16.127 15.828 370 HA LEU 46 HA LEU 46 -3.840 -14.126 15.668 371 1HB LEU 46 2HB LEU 46 -6.371 -14.180 16.303 372 2HB LEU 46 3HB LEU 46 -5.777 -14.276 17.949 373 HG LEU 46 HG LEU 46 -6.038 -12.020 17.756 374 1HD1 LEU 46 1HD1 LEU 46 -3.256 -12.375 16.605 375 2HD1 LEU 46 2HD1 LEU 46 -3.883 -10.921 17.419 376 3HD1 LEU 46 3HD1 LEU 46 -3.696 -12.440 18.329 377 1HD2 LEU 46 1HD2 LEU 46 -5.512 -10.738 15.629 378 2HD2 LEU 46 2HD2 LEU 46 -5.348 -12.320 14.829 379 3HD2 LEU 46 3HD2 LEU 46 -6.900 -11.850 15.564 380 H ASP 47 HN ASP 47 -4.645 -15.975 18.697 381 HA ASP 47 HA ASP 47 -2.702 -15.022 20.253 382 1HB ASP 47 2HB ASP 47 -4.098 -17.659 20.015 383 2HB ASP 47 3HB ASP 47 -2.644 -17.669 20.993 384 H GLU 48 HN GLU 48 -2.494 -17.817 17.935 385 HA GLU 48 HA GLU 48 0.074 -18.567 18.480 386 1HB GLU 48 2HB GLU 48 -1.911 -19.039 16.411 387 2HB GLU 48 3HB GLU 48 -0.326 -18.905 15.676 388 1HG GLU 48 2HG GLU 48 0.360 -20.491 17.755 389 2HG GLU 48 3HG GLU 48 -1.335 -20.928 17.667 390 H LEU 49 HN LEU 49 -1.159 -16.076 16.167 391 HA LEU 49 HA LEU 49 1.352 -15.455 15.084 392 1HB LEU 49 2HB LEU 49 -1.226 -14.853 14.511 393 2HB LEU 49 3HB LEU 49 -0.705 -13.339 15.226 394 HG LEU 49 HG LEU 49 1.352 -13.720 13.534 395 1HD1 LEU 49 1HD1 LEU 49 0.148 -15.889 12.788 396 2HD1 LEU 49 2HD1 LEU 49 -0.919 -14.792 11.879 397 3HD1 LEU 49 3HD1 LEU 49 0.831 -14.806 11.551 398 1HD2 LEU 49 1HD2 LEU 49 0.548 -11.725 12.990 399 2HD2 LEU 49 2HD2 LEU 49 -0.603 -12.536 11.902 400 3HD2 LEU 49 3HD2 LEU 49 -1.075 -12.158 13.576 401 H PHE 50 HN PHE 50 -0.488 -14.233 17.923 402 HA PHE 50 HA PHE 50 1.155 -12.075 18.497 403 1HB PHE 50 2HB PHE 50 -1.149 -12.907 19.457 404 2HB PHE 50 3HB PHE 50 -0.214 -13.981 20.479 405 HD1 PHE 50 HD1 PHE 50 0.497 -10.449 19.535 406 HD2 PHE 50 HD2 PHE 50 -0.534 -13.161 22.631 407 HE1 PHE 50 HE1 PHE 50 0.754 -8.614 21.229 408 HE2 PHE 50 HE2 PHE 50 -0.278 -11.327 24.324 409 HZ PHE 50 HZ PHE 50 0.364 -9.075 23.603 410 H GLU 51 HN GLU 51 1.261 -15.488 19.738 411 HA GLU 51 HA GLU 51 3.519 -15.015 21.311 412 1HB GLU 51 2HB GLU 51 1.778 -17.250 20.626 413 2HB GLU 51 3HB GLU 51 3.449 -17.775 20.632 414 1HG GLU 51 2HG GLU 51 3.586 -16.423 22.913 415 2HG GLU 51 3HG GLU 51 1.840 -16.571 22.899 416 H GLU 52 HN GLU 52 3.027 -16.233 17.958 417 HA GLU 52 HA GLU 52 5.661 -17.000 17.546 418 1HB GLU 52 2HB GLU 52 3.687 -17.645 16.127 419 2HB GLU 52 3HB GLU 52 3.635 -16.013 15.490 420 1HG GLU 52 2HG GLU 52 5.706 -16.250 14.346 421 2HG GLU 52 3HG GLU 52 6.219 -17.594 15.347 422 H LEU 53 HN LEU 53 3.906 -13.967 16.562 423 HA LEU 53 HA LEU 53 6.103 -12.683 15.480 424 1HB LEU 53 2HB LEU 53 3.705 -11.481 16.871 425 2HB LEU 53 3HB LEU 53 4.803 -10.634 15.799 426 HG LEU 53 HG LEU 53 3.374 -13.067 14.779 427 1HD1 LEU 53 1HD1 LEU 53 1.897 -10.646 14.188 428 2HD1 LEU 53 2HD1 LEU 53 1.329 -12.203 14.836 429 3HD1 LEU 53 3HD1 LEU 53 1.956 -10.956 15.940 430 1HD2 LEU 53 1HD2 LEU 53 5.178 -11.848 13.495 431 2HD2 LEU 53 2HD2 LEU 53 3.621 -12.047 12.655 432 3HD2 LEU 53 3HD2 LEU 53 4.050 -10.477 13.374 433 H ASP 54 HN ASP 54 4.746 -12.458 18.843 434 HA ASP 54 HA ASP 54 6.909 -10.863 19.684 435 1HB ASP 54 2HB ASP 54 4.432 -11.293 20.656 436 2HB ASP 54 3HB ASP 54 5.266 -12.500 21.615 437 H LYS 55 HN LYS 55 8.814 -12.173 19.105 438 HA LYS 55 HA LYS 55 9.085 -14.622 20.702 439 1HB LYS 55 2HB LYS 55 9.382 -14.256 17.957 440 2HB LYS 55 3HB LYS 55 11.030 -14.255 18.552 441 1HG LYS 55 2HG LYS 55 10.541 -16.386 19.816 442 2HG LYS 55 3HG LYS 55 8.930 -16.398 19.127 443 1HD LYS 55 2HD LYS 55 9.792 -16.662 16.874 444 2HD LYS 55 3HD LYS 55 11.431 -16.311 17.387 445 1HE LYS 55 2HE LYS 55 11.802 -18.462 18.064 446 2HE LYS 55 3HE LYS 55 10.264 -18.559 18.899 447 1HZ LYS 55 1HZ LYS 55 10.772 -18.994 16.047 448 2HZ LYS 55 2HZ LYS 55 10.149 -20.045 17.131 449 3HZ LYS 55 3HZ LYS 55 9.263 -18.769 16.630 450 H ASN 56 HN ASN 56 9.737 -11.385 20.800 451 HA ASN 56 HA ASN 56 12.471 -11.684 21.655 452 1HB ASN 56 2HB ASN 56 12.605 -9.322 21.523 453 2HB ASN 56 3HB ASN 56 11.435 -9.686 20.271 454 1HD2 ASN 56 1HD2 ASN 56 9.155 -9.592 20.821 455 2HD2 ASN 56 2HD2 ASN 56 8.590 -8.436 21.980 456 H GLY 57 HN GLY 57 9.751 -12.622 23.034 457 1HA GLY 57 1HA GLY 57 8.746 -12.519 25.074 458 2HA GLY 57 2HA GLY 57 10.398 -12.752 25.610 459 H ASP 58 HN ASP 58 7.961 -10.228 24.762 460 HA ASP 58 HA ASP 58 9.130 -8.612 26.856 461 1HB ASP 58 2HB ASP 58 10.131 -7.423 25.126 462 2HB ASP 58 3HB ASP 58 8.933 -7.919 23.947 463 H GLY 59 HN GLY 59 6.569 -8.936 24.290 464 1HA GLY 59 1HA GLY 59 4.298 -9.316 25.163 465 2HA GLY 59 2HA GLY 59 4.579 -7.982 26.263 466 H GLU 60 HN GLU 60 6.203 -7.360 23.325 467 HA GLU 60 HA GLU 60 3.855 -6.072 22.198 468 1HB GLU 60 2HB GLU 60 4.858 -3.953 22.048 469 2HB GLU 60 3HB GLU 60 5.372 -4.502 23.631 470 1HG GLU 60 2HG GLU 60 7.449 -5.497 22.275 471 2HG GLU 60 3HG GLU 60 6.982 -4.306 21.078 472 H VAL 61 HN VAL 61 3.972 -5.725 19.873 473 HA VAL 61 HA VAL 61 6.092 -7.342 18.635 474 HB VAL 61 HB VAL 61 3.192 -6.912 17.924 475 1HG1 VAL 61 1HG1 VAL 61 3.765 -7.047 15.764 476 2HG1 VAL 61 2HG1 VAL 61 5.453 -7.451 16.156 477 3HG1 VAL 61 3HG1 VAL 61 4.223 -8.736 16.091 478 1HG2 VAL 61 1HG2 VAL 61 2.854 -9.129 18.443 479 2HG2 VAL 61 2HG2 VAL 61 4.542 -9.582 18.106 480 3HG2 VAL 61 3HG2 VAL 61 4.135 -8.721 19.609 481 H SER 62 HN SER 62 6.930 -4.858 19.212 482 HA SER 62 HA SER 62 6.227 -2.750 17.741 483 1HB SER 62 2HB SER 62 9.135 -2.990 17.702 484 2HB SER 62 3HB SER 62 8.129 -1.879 18.609 485 HG SER 62 HG SER 62 9.199 -4.398 19.376 486 H PHE 63 HN PHE 63 7.465 -1.749 15.772 487 HA PHE 63 HA PHE 63 6.934 -3.175 13.524 488 1HB PHE 63 2HB PHE 63 7.528 -0.693 13.844 489 2HB PHE 63 3HB PHE 63 9.207 -1.160 14.025 490 HD1 PHE 63 HD1 PHE 63 10.383 -0.434 12.181 491 HD2 PHE 63 HD2 PHE 63 6.574 -2.209 11.589 492 HE1 PHE 63 HE1 PHE 63 10.695 -0.275 9.696 493 HE2 PHE 63 HE2 PHE 63 6.886 -2.050 9.104 494 HZ PHE 63 HZ PHE 63 8.943 -1.085 8.187 495 H GLU 64 HN GLU 64 9.849 -3.283 15.579 496 HA GLU 64 HA GLU 64 11.609 -4.388 13.820 497 1HB GLU 64 2HB GLU 64 12.484 -5.564 16.027 498 2HB GLU 64 3HB GLU 64 12.569 -3.822 15.860 499 1HG GLU 64 2HG GLU 64 11.126 -3.498 17.587 500 2HG GLU 64 3HG GLU 64 9.953 -4.608 16.905 501 H GLU 65 HN GLU 65 9.278 -6.093 16.026 502 HA GLU 65 HA GLU 65 9.975 -8.617 14.992 503 1HB GLU 65 2HB GLU 65 7.648 -7.640 16.695 504 2HB GLU 65 3HB GLU 65 7.848 -9.324 16.255 505 1HG GLU 65 2HG GLU 65 10.386 -8.334 17.237 506 2HG GLU 65 3HG GLU 65 9.140 -7.881 18.382 507 H PHE 66 HN PHE 66 7.748 -6.054 14.056 508 HA PHE 66 HA PHE 66 5.860 -7.535 12.669 509 1HB PHE 66 2HB PHE 66 6.104 -4.977 13.300 510 2HB PHE 66 3HB PHE 66 7.065 -4.838 11.841 511 HD1 PHE 66 HD1 PHE 66 5.908 -3.888 10.102 512 HD2 PHE 66 HD2 PHE 66 3.827 -6.497 12.724 513 HE1 PHE 66 HE1 PHE 66 3.814 -3.574 8.754 514 HE2 PHE 66 HE2 PHE 66 1.734 -6.183 11.376 515 HZ PHE 66 HZ PHE 66 1.752 -4.725 9.407 516 H GLN 67 HN GLN 67 9.122 -6.355 11.719 517 HA GLN 67 HA GLN 67 8.864 -6.859 9.017 518 1HB GLN 67 2HB GLN 67 11.360 -6.970 10.768 519 2HB GLN 67 3HB GLN 67 11.368 -6.867 9.019 520 1HG GLN 67 2HG GLN 67 9.698 -4.763 9.641 521 2HG GLN 67 3HG GLN 67 10.753 -4.760 11.040 522 1HE2 GLN 67 1HE2 GLN 67 11.044 -2.600 9.790 523 2HE2 GLN 67 2HE2 GLN 67 12.414 -2.518 8.733 524 H VAL 68 HN VAL 68 8.871 -9.031 11.670 525 HA VAL 68 HA VAL 68 10.179 -11.203 10.345 526 HB VAL 68 HB VAL 68 8.364 -11.222 12.761 527 1HG1 VAL 68 1HG1 VAL 68 10.491 -13.133 11.747 528 2HG1 VAL 68 2HG1 VAL 68 9.787 -13.207 13.381 529 3HG1 VAL 68 3HG1 VAL 68 8.751 -13.446 11.953 530 1HG2 VAL 68 1HG2 VAL 68 10.167 -9.556 13.034 531 2HG2 VAL 68 2HG2 VAL 68 10.367 -10.944 14.131 532 3HG2 VAL 68 3HG2 VAL 68 11.373 -10.813 12.668 533 H LEU 69 HN LEU 69 6.835 -9.995 10.796 534 HA LEU 69 HA LEU 69 5.668 -12.332 9.641 535 1HB LEU 69 2HB LEU 69 4.692 -10.640 11.338 536 2HB LEU 69 3HB LEU 69 4.336 -9.655 9.932 537 HG LEU 69 HG LEU 69 2.917 -11.400 9.003 538 1HD1 LEU 69 1HD1 LEU 69 3.328 -13.526 9.494 539 2HD1 LEU 69 2HD1 LEU 69 4.315 -13.077 10.905 540 3HD1 LEU 69 3HD1 LEU 69 2.551 -13.247 11.071 541 1HD2 LEU 69 1HD2 LEU 69 1.333 -11.585 11.161 542 2HD2 LEU 69 2HD2 LEU 69 2.433 -10.302 11.720 543 3HD2 LEU 69 3HD2 LEU 69 1.517 -10.092 10.208 544 H VAL 70 HN VAL 70 6.905 -9.193 8.514 545 HA VAL 70 HA VAL 70 5.645 -9.006 6.085 546 HB VAL 70 HB VAL 70 8.266 -8.150 7.218 547 1HG1 VAL 70 1HG1 VAL 70 7.620 -8.283 4.292 548 2HG1 VAL 70 2HG1 VAL 70 8.509 -6.873 4.916 549 3HG1 VAL 70 3HG1 VAL 70 9.173 -8.511 5.131 550 1HG2 VAL 70 1HG2 VAL 70 5.668 -6.943 6.427 551 2HG2 VAL 70 2HG2 VAL 70 6.745 -6.564 7.792 552 3HG2 VAL 70 3HG2 VAL 70 7.117 -5.943 6.166 553 H LYS 71 HN LYS 71 7.926 -11.393 7.234 554 HA LYS 71 HA LYS 71 8.932 -12.143 4.693 555 1HB LYS 71 2HB LYS 71 9.683 -12.614 7.252 556 2HB LYS 71 3HB LYS 71 8.862 -14.123 6.908 557 1HG LYS 71 2HG LYS 71 10.348 -13.714 4.581 558 2HG LYS 71 3HG LYS 71 11.412 -13.076 5.818 559 1HD LYS 71 2HD LYS 71 12.045 -15.288 5.986 560 2HD LYS 71 3HD LYS 71 10.680 -15.355 7.083 561 1HE LYS 71 2HE LYS 71 9.856 -17.002 5.743 562 2HE LYS 71 3HE LYS 71 9.460 -15.734 4.600 563 1HZ LYS 71 1HZ LYS 71 12.006 -17.201 4.677 564 2HZ LYS 71 2HZ LYS 71 10.801 -17.445 3.602 565 3HZ LYS 71 3HZ LYS 71 11.621 -16.033 3.602 566 H LYS 72 HN LYS 72 6.202 -13.221 6.785 567 HA LYS 72 HA LYS 72 5.478 -15.346 5.057 568 1HB LYS 72 2HB LYS 72 4.022 -13.920 7.298 569 2HB LYS 72 3HB LYS 72 3.362 -15.297 6.440 570 1HG LYS 72 2HG LYS 72 6.111 -15.377 7.755 571 2HG LYS 72 3HG LYS 72 4.649 -15.793 8.629 572 1HD LYS 72 2HD LYS 72 4.312 -17.307 6.354 573 2HD LYS 72 3HD LYS 72 6.061 -17.295 6.467 574 1HE LYS 72 2HE LYS 72 6.090 -18.521 8.436 575 2HE LYS 72 3HE LYS 72 4.602 -17.812 9.032 576 1HZ LYS 72 1HZ LYS 72 4.117 -19.316 6.708 577 2HZ LYS 72 2HZ LYS 72 4.882 -20.237 7.820 578 3HZ LYS 72 3HZ LYS 72 3.477 -19.495 8.200 579 H ILE 73 HN ILE 73 4.529 -11.897 5.411 580 HA ILE 73 HA ILE 73 2.467 -12.115 3.452 581 HB ILE 73 HB ILE 73 3.825 -9.762 4.766 582 1HG1 ILE 73 2HG1 ILE 73 0.990 -10.601 5.252 583 2HG1 ILE 73 3HG1 ILE 73 2.276 -11.515 6.014 584 1HG2 ILE 73 1HG2 ILE 73 2.996 -8.553 3.077 585 2HG2 ILE 73 2HG2 ILE 73 1.962 -9.883 2.501 586 3HG2 ILE 73 3HG2 ILE 73 1.413 -8.843 3.837 587 1HD1 ILE 73 1HD1 ILE 73 1.576 -9.723 7.522 588 2HD1 ILE 73 2HD1 ILE 73 3.218 -9.365 6.935 589 3HD1 ILE 73 3HD1 ILE 73 1.819 -8.506 6.246 590 H SER 74 HN SER 74 5.826 -12.276 3.276 591 HA SER 74 HA SER 74 5.997 -10.782 0.824 592 1HB SER 74 2HB SER 74 7.876 -10.585 2.347 593 2HB SER 74 3HB SER 74 8.034 -12.325 2.479 594 HG SER 74 HG SER 74 9.037 -12.443 0.546 595 H GLN 75 HN GLN 75 6.138 -14.171 2.049 596 HA GLN 75 HA GLN 75 6.747 -15.268 -0.462 597 1HB GLN 75 2HB GLN 75 6.743 -16.192 2.129 598 2HB GLN 75 3HB GLN 75 5.303 -16.974 1.509 599 1HG GLN 75 2HG GLN 75 7.016 -18.522 0.991 600 2HG GLN 75 3HG GLN 75 6.771 -17.681 -0.526 601 1HE2 GLN 75 1HE2 GLN 75 8.509 -17.021 2.518 602 2HE2 GLN 75 2HE2 GLN 75 10.041 -16.624 1.814 Start of MODEL 25 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 3.083 -0.344 -1.020 3 1HB LYS 1 2HB LYS 1 1.574 -2.010 -1.848 4 2HB LYS 1 3HB LYS 1 0.398 -0.807 -2.339 5 1HG LYS 1 2HG LYS 1 1.496 -0.354 -4.294 6 2HG LYS 1 3HG LYS 1 3.065 -0.316 -3.514 7 1HD LYS 1 2HD LYS 1 3.518 -2.499 -4.036 8 2HD LYS 1 3HD LYS 1 1.906 -3.037 -3.608 9 1HE LYS 1 2HE LYS 1 1.194 -1.778 -5.843 10 2HE LYS 1 3HE LYS 1 2.891 -1.934 -6.252 11 1HZ LYS 1 1HZ LYS 1 2.107 -4.377 -5.289 12 2HZ LYS 1 2HZ LYS 1 0.904 -3.902 -6.286 13 3HZ LYS 1 3HZ LYS 1 2.438 -3.990 -6.840 14 H SER 2 HN SER 2 0.137 1.444 -2.185 15 HA SER 2 HA SER 2 1.810 3.383 -3.391 16 1HB SER 2 2HB SER 2 -1.145 2.897 -3.138 17 2HB SER 2 3HB SER 2 -0.636 4.527 -3.534 18 HG SER 2 HG SER 2 0.700 3.482 -5.288 19 HA PRO 3 HA PRO 3 1.955 6.202 -0.078 20 1HB PRO 3 2HB PRO 3 2.371 8.570 -1.377 21 2HB PRO 3 3HB PRO 3 3.647 7.409 -1.070 22 1HG PRO 3 2HG PRO 3 2.251 7.999 -3.608 23 2HG PRO 3 3HG PRO 3 3.779 7.178 -3.361 24 1HD PRO 3 2HD PRO 3 1.258 5.961 -3.985 25 2HD PRO 3 3HD PRO 3 2.760 5.134 -3.625 26 H GLU 4 HN GLU 4 -0.226 7.046 -2.677 27 HA GLU 4 HA GLU 4 -1.630 8.962 -1.291 28 1HB GLU 4 2HB GLU 4 -1.787 7.679 -3.797 29 2HB GLU 4 3HB GLU 4 -3.336 7.345 -3.047 30 1HG GLU 4 2HG GLU 4 -2.381 10.153 -2.725 31 2HG GLU 4 3HG GLU 4 -2.717 9.682 -4.380 32 H GLU 5 HN GLU 5 -1.808 5.393 -1.233 33 HA GLU 5 HA GLU 5 -4.262 5.223 0.059 34 1HB GLU 5 2HB GLU 5 -2.070 3.439 -0.694 35 2HB GLU 5 3HB GLU 5 -2.713 2.999 0.876 36 1HG GLU 5 2HG GLU 5 -5.037 3.494 -0.566 37 2HG GLU 5 3HG GLU 5 -3.988 2.830 -1.803 38 H LEU 6 HN LEU 6 -0.920 5.742 1.211 39 HA LEU 6 HA LEU 6 -1.271 5.143 3.884 40 1HB LEU 6 2HB LEU 6 0.475 7.258 2.616 41 2HB LEU 6 3HB LEU 6 0.640 6.647 4.250 42 HG LEU 6 HG LEU 6 0.897 4.922 1.773 43 1HD1 LEU 6 1HD1 LEU 6 2.638 6.632 1.767 44 2HD1 LEU 6 2HD1 LEU 6 3.089 6.198 3.434 45 3HD1 LEU 6 3HD1 LEU 6 3.320 5.025 2.115 46 1HD2 LEU 6 1HD2 LEU 6 2.190 4.088 4.279 47 2HD2 LEU 6 2HD2 LEU 6 0.412 4.137 4.348 48 3HD2 LEU 6 3HD2 LEU 6 1.228 3.154 3.108 49 H LYS 7 HN LYS 7 -1.987 8.160 2.043 50 HA LYS 7 HA LYS 7 -2.729 9.638 4.324 51 1HB LYS 7 2HB LYS 7 -2.124 10.302 1.809 52 2HB LYS 7 3HB LYS 7 -3.866 10.258 1.630 53 1HG LYS 7 2HG LYS 7 -4.081 11.794 3.621 54 2HG LYS 7 3HG LYS 7 -2.333 11.879 3.717 55 1HD LYS 7 2HD LYS 7 -2.380 12.681 1.252 56 2HD LYS 7 3HD LYS 7 -4.112 12.869 1.449 57 1HE LYS 7 2HE LYS 7 -3.169 14.162 3.713 58 2HE LYS 7 3HE LYS 7 -1.893 14.512 2.564 59 1HZ LYS 7 1HZ LYS 7 -3.315 15.649 1.230 60 2HZ LYS 7 2HZ LYS 7 -4.650 14.838 1.708 61 3HZ LYS 7 3HZ LYS 7 -3.995 15.977 2.678 62 H GLY 8 HN GLY 8 -4.668 7.895 1.795 63 1HA GLY 8 1HA GLY 8 -7.187 8.380 2.795 64 2HA GLY 8 2HA GLY 8 -6.704 6.947 1.908 65 H ILE 9 HN ILE 9 -5.153 5.422 3.430 66 HA ILE 9 HA ILE 9 -6.844 4.318 5.305 67 HB ILE 9 HB ILE 9 -3.958 4.064 4.615 68 1HG1 ILE 9 2HG1 ILE 9 -6.348 2.204 4.649 69 2HG1 ILE 9 3HG1 ILE 9 -5.554 2.893 3.247 70 1HG2 ILE 9 1HG2 ILE 9 -5.224 2.927 7.115 71 2HG2 ILE 9 2HG2 ILE 9 -3.758 2.258 6.362 72 3HG2 ILE 9 3HG2 ILE 9 -3.759 3.928 6.977 73 1HD1 ILE 9 1HD1 ILE 9 -4.538 0.803 3.285 74 2HD1 ILE 9 2HD1 ILE 9 -3.392 1.707 4.304 75 3HD1 ILE 9 3HD1 ILE 9 -4.630 0.675 5.058 76 H PHE 10 HN PHE 10 -4.050 6.576 5.764 77 HA PHE 10 HA PHE 10 -4.035 6.657 8.491 78 1HB PHE 10 2HB PHE 10 -2.346 7.856 7.279 79 2HB PHE 10 3HB PHE 10 -3.514 8.587 6.197 80 HD1 PHE 10 HD1 PHE 10 -1.794 8.880 9.385 81 HD2 PHE 10 HD2 PHE 10 -4.812 10.553 6.916 82 HE1 PHE 10 HE1 PHE 10 -1.753 10.980 10.759 83 HE2 PHE 10 HE2 PHE 10 -4.772 12.653 8.290 84 HZ PHE 10 HZ PHE 10 -3.243 12.841 10.196 85 H GLU 11 HN GLU 11 -5.908 8.838 6.259 86 HA GLU 11 HA GLU 11 -7.164 10.200 8.315 87 1HB GLU 11 2HB GLU 11 -7.217 10.141 5.435 88 2HB GLU 11 3HB GLU 11 -8.876 10.121 6.000 89 1HG GLU 11 2HG GLU 11 -7.721 12.017 7.681 90 2HG GLU 11 3HG GLU 11 -6.847 12.280 6.185 91 H LYS 12 HN LYS 12 -8.018 7.206 6.520 92 HA LYS 12 HA LYS 12 -10.630 6.954 7.418 93 1HB LYS 12 2HB LYS 12 -9.174 5.632 5.646 94 2HB LYS 12 3HB LYS 12 -8.897 4.545 6.992 95 1HG LYS 12 2HG LYS 12 -11.681 5.124 7.062 96 2HG LYS 12 3HG LYS 12 -11.304 4.888 5.367 97 1HD LYS 12 2HD LYS 12 -9.886 2.832 6.702 98 2HD LYS 12 3HD LYS 12 -11.428 2.910 7.530 99 1HE LYS 12 2HE LYS 12 -12.666 2.509 5.509 100 2HE LYS 12 3HE LYS 12 -11.288 2.875 4.491 101 1HZ LYS 12 1HZ LYS 12 -11.857 0.463 4.911 102 2HZ LYS 12 2HZ LYS 12 -10.286 0.888 5.043 103 3HZ LYS 12 3HZ LYS 12 -11.184 0.654 6.386 104 H TYR 13 HN TYR 13 -7.540 6.528 9.056 105 HA TYR 13 HA TYR 13 -8.838 5.132 11.263 106 1HB TYR 13 2HB TYR 13 -6.072 5.759 10.192 107 2HB TYR 13 3HB TYR 13 -6.188 5.582 11.932 108 HD1 TYR 13 HD1 TYR 13 -7.142 3.801 8.773 109 HD2 TYR 13 HD2 TYR 13 -5.988 3.460 12.878 110 HE1 TYR 13 HE1 TYR 13 -7.006 1.274 8.532 111 HE2 TYR 13 HE2 TYR 13 -5.855 0.933 12.624 112 HH TYR 13 HH TYR 13 -6.340 -0.771 11.338 113 H ALA 14 HN ALA 14 -7.205 8.233 10.430 114 HA ALA 14 HA ALA 14 -7.208 9.238 13.061 115 1HB ALA 14 1HB ALA 14 -5.948 9.943 10.833 116 2HB ALA 14 2HB ALA 14 -7.356 11.015 10.639 117 3HB ALA 14 3HB ALA 14 -6.328 11.149 12.086 118 H ALA 15 HN ALA 15 -9.669 8.868 10.577 119 HA ALA 15 HA ALA 15 -11.384 10.880 11.727 120 1HB ALA 15 1HB ALA 15 -12.983 9.647 10.002 121 2HB ALA 15 2HB ALA 15 -11.696 10.736 9.434 122 3HB ALA 15 3HB ALA 15 -11.448 8.974 9.401 123 H LYS 16 HN LYS 16 -10.598 7.511 12.197 124 HA LYS 16 HA LYS 16 -13.014 6.498 13.060 125 1HB LYS 16 2HB LYS 16 -10.360 5.644 12.903 126 2HB LYS 16 3HB LYS 16 -10.736 5.538 14.611 127 1HG LYS 16 2HG LYS 16 -12.934 4.352 13.896 128 2HG LYS 16 3HG LYS 16 -12.222 4.224 12.300 129 1HD LYS 16 2HD LYS 16 -10.601 2.692 12.981 130 2HD LYS 16 3HD LYS 16 -10.520 3.332 14.611 131 1HE LYS 16 2HE LYS 16 -12.763 2.332 15.113 132 2HE LYS 16 3HE LYS 16 -12.839 1.689 13.484 133 1HZ LYS 16 1HZ LYS 16 -11.964 -0.042 14.637 134 2HZ LYS 16 2HZ LYS 16 -10.578 0.669 14.146 135 3HZ LYS 16 3HZ LYS 16 -11.110 0.885 15.675 136 H GLU 17 HN GLU 17 -10.352 7.758 15.198 137 HA GLU 17 HA GLU 17 -12.489 8.556 17.019 138 1HB GLU 17 2HB GLU 17 -9.736 7.404 17.532 139 2HB GLU 17 3HB GLU 17 -10.508 8.391 18.756 140 1HG GLU 17 2HG GLU 17 -12.539 6.612 17.908 141 2HG GLU 17 3HG GLU 17 -11.092 5.624 17.963 142 H GLY 18 HN GLY 18 -12.601 10.709 17.592 143 1HA GLY 18 1HA GLY 18 -12.073 12.890 17.725 144 2HA GLY 18 2HA GLY 18 -10.381 12.434 17.733 145 H ASP 19 HN ASP 19 -10.655 14.694 16.449 146 HA ASP 19 HA ASP 19 -11.624 14.683 13.893 147 1HB ASP 19 2HB ASP 19 -10.507 16.550 15.479 148 2HB ASP 19 3HB ASP 19 -9.082 16.183 14.527 149 HA PRO 20 HA PRO 20 -8.577 12.241 11.869 150 1HB PRO 20 2HB PRO 20 -9.244 12.745 9.267 151 2HB PRO 20 3HB PRO 20 -10.077 11.565 10.258 152 1HG PRO 20 2HG PRO 20 -10.977 14.256 9.429 153 2HG PRO 20 3HG PRO 20 -11.932 12.919 10.041 154 1HD PRO 20 2HD PRO 20 -11.133 15.263 11.489 155 2HD PRO 20 3HD PRO 20 -11.987 13.874 12.131 156 H ASN 21 HN ASN 21 -8.541 15.495 12.082 157 HA ASN 21 HA ASN 21 -6.374 15.827 10.232 158 1HB ASN 21 2HB ASN 21 -7.799 17.708 12.179 159 2HB ASN 21 3HB ASN 21 -6.419 18.223 11.229 160 1HD2 ASN 21 1HD2 ASN 21 -6.544 17.841 8.864 161 2HD2 ASN 21 2HD2 ASN 21 -8.055 18.102 8.059 162 H GLN 22 HN GLN 22 -6.702 14.462 13.242 163 HA GLN 22 HA GLN 22 -3.962 15.028 13.882 164 1HB GLN 22 2HB GLN 22 -4.695 15.394 16.365 165 2HB GLN 22 3HB GLN 22 -4.798 16.743 15.251 166 1HG GLN 22 2HG GLN 22 -7.268 15.326 15.001 167 2HG GLN 22 3HG GLN 22 -6.937 15.421 16.719 168 1HE2 GLN 22 1HE2 GLN 22 -6.721 17.428 13.785 169 2HE2 GLN 22 2HE2 GLN 22 -7.324 18.897 14.477 170 H LEU 23 HN LEU 23 -2.959 13.169 14.589 171 HA LEU 23 HA LEU 23 -4.652 10.847 14.916 172 1HB LEU 23 2HB LEU 23 -1.740 11.350 14.455 173 2HB LEU 23 3HB LEU 23 -2.245 9.812 15.127 174 HG LEU 23 HG LEU 23 -1.924 10.033 12.573 175 1HD1 LEU 23 1HD1 LEU 23 -3.551 8.328 12.148 176 2HD1 LEU 23 2HD1 LEU 23 -2.915 8.093 13.794 177 3HD1 LEU 23 3HD1 LEU 23 -4.520 8.824 13.557 178 1HD2 LEU 23 1HD2 LEU 23 -3.100 11.956 11.980 179 2HD2 LEU 23 2HD2 LEU 23 -4.171 10.631 11.462 180 3HD2 LEU 23 3HD2 LEU 23 -4.515 11.517 12.967 181 H SER 24 HN SER 24 -4.207 9.297 16.746 182 HA SER 24 HA SER 24 -3.301 10.711 19.114 183 1HB SER 24 2HB SER 24 -5.880 9.087 18.975 184 2HB SER 24 3HB SER 24 -5.230 9.853 20.411 185 HG SER 24 HG SER 24 -6.240 11.137 18.026 186 H LYS 25 HN LYS 25 -3.028 9.057 21.015 187 HA LYS 25 HA LYS 25 -1.301 7.058 20.197 188 1HB LYS 25 2HB LYS 25 -1.364 8.152 22.434 189 2HB LYS 25 3HB LYS 25 -2.820 7.255 22.815 190 1HG LYS 25 2HG LYS 25 -1.277 5.172 22.028 191 2HG LYS 25 3HG LYS 25 0.005 6.260 22.519 192 1HD LYS 25 2HD LYS 25 -2.084 6.324 24.530 193 2HD LYS 25 3HD LYS 25 -1.682 4.652 24.194 194 1HE LYS 25 2HE LYS 25 0.754 5.189 24.534 195 2HE LYS 25 3HE LYS 25 0.323 6.843 24.918 196 1HZ LYS 25 1HZ LYS 25 0.588 5.317 26.840 197 2HZ LYS 25 2HZ LYS 25 -0.828 6.129 26.813 198 3HZ LYS 25 3HZ LYS 25 -0.782 4.555 26.382 199 H GLU 26 HN GLU 26 -4.681 6.708 21.496 200 HA GLU 26 HA GLU 26 -4.831 4.008 21.038 201 1HB GLU 26 2HB GLU 26 -6.562 6.105 21.910 202 2HB GLU 26 3HB GLU 26 -7.422 5.257 20.641 203 1HG GLU 26 2HG GLU 26 -6.248 3.191 22.164 204 2HG GLU 26 3HG GLU 26 -6.764 4.359 23.364 205 H GLU 27 HN GLU 27 -5.620 6.799 18.894 206 HA GLU 27 HA GLU 27 -6.786 5.324 16.875 207 1HB GLU 27 2HB GLU 27 -5.571 8.033 17.164 208 2HB GLU 27 3HB GLU 27 -5.654 7.426 15.522 209 1HG GLU 27 2HG GLU 27 -8.159 6.768 16.274 210 2HG GLU 27 3HG GLU 27 -7.900 8.060 17.430 211 H LEU 28 HN LEU 28 -3.371 6.562 17.142 212 HA LEU 28 HA LEU 28 -2.423 5.349 14.851 213 1HB LEU 28 2HB LEU 28 -1.394 7.092 16.468 214 2HB LEU 28 3HB LEU 28 -0.762 5.701 17.328 215 HG LEU 28 HG LEU 28 0.820 5.277 15.778 216 1HD1 LEU 28 1HD1 LEU 28 -1.051 6.226 13.591 217 2HD1 LEU 28 2HD1 LEU 28 0.550 5.486 13.352 218 3HD1 LEU 28 3HD1 LEU 28 -0.768 4.538 14.081 219 1HD2 LEU 28 1HD2 LEU 28 0.128 8.120 14.988 220 2HD2 LEU 28 2HD2 LEU 28 1.169 7.621 16.342 221 3HD2 LEU 28 3HD2 LEU 28 1.670 7.293 14.666 222 H LYS 29 HN LYS 29 -2.726 4.086 18.216 223 HA LYS 29 HA LYS 29 -1.346 1.781 18.049 224 1HB LYS 29 2HB LYS 29 -2.525 2.588 20.046 225 2HB LYS 29 3HB LYS 29 -4.069 2.189 19.320 226 1HG LYS 29 2HG LYS 29 -3.770 -0.105 19.580 227 2HG LYS 29 3HG LYS 29 -2.029 -0.012 19.405 228 1HD LYS 29 2HD LYS 29 -1.779 -0.007 21.656 229 2HD LYS 29 3HD LYS 29 -2.724 1.464 21.776 230 1HE LYS 29 2HE LYS 29 -4.007 -1.295 21.533 231 2HE LYS 29 3HE LYS 29 -3.620 -0.568 23.080 232 1HZ LYS 29 1HZ LYS 29 -5.018 1.290 22.499 233 2HZ LYS 29 2HZ LYS 29 -5.364 0.635 21.043 234 3HZ LYS 29 3HZ LYS 29 -5.870 -0.100 22.411 235 H LEU 30 HN LEU 30 -4.792 2.218 16.981 236 HA LEU 30 HA LEU 30 -5.147 -0.329 16.001 237 1HB LEU 30 2HB LEU 30 -6.314 2.261 14.971 238 2HB LEU 30 3HB LEU 30 -6.937 0.655 14.646 239 HG LEU 30 HG LEU 30 -6.999 2.228 17.207 240 1HD1 LEU 30 1HD1 LEU 30 -9.178 0.596 15.897 241 2HD1 LEU 30 2HD1 LEU 30 -9.332 1.869 17.131 242 3HD1 LEU 30 3HD1 LEU 30 -8.848 2.293 15.472 243 1HD2 LEU 30 1HD2 LEU 30 -6.242 0.305 18.196 244 2HD2 LEU 30 2HD2 LEU 30 -7.990 -0.026 18.145 245 3HD2 LEU 30 3HD2 LEU 30 -6.912 -0.750 16.928 246 H LEU 31 HN LEU 31 -4.117 2.634 14.160 247 HA LEU 31 HA LEU 31 -3.699 1.415 11.748 248 1HB LEU 31 2HB LEU 31 -3.572 3.892 12.543 249 2HB LEU 31 3HB LEU 31 -1.865 3.559 12.764 250 HG LEU 31 HG LEU 31 -2.655 2.632 10.160 251 1HD1 LEU 31 1HD1 LEU 31 -3.862 4.261 9.208 252 2HD1 LEU 31 2HD1 LEU 31 -4.346 4.655 10.876 253 3HD1 LEU 31 3HD1 LEU 31 -3.018 5.551 10.099 254 1HD2 LEU 31 1HD2 LEU 31 -1.024 4.730 9.683 255 2HD2 LEU 31 2HD2 LEU 31 -0.653 4.429 11.398 256 3HD2 LEU 31 3HD2 LEU 31 -0.455 3.125 10.202 257 H LEU 32 HN LEU 32 -1.136 2.069 14.248 258 HA LEU 32 HA LEU 32 0.883 0.690 13.057 259 1HB LEU 32 2HB LEU 32 0.305 0.819 16.019 260 2HB LEU 32 3HB LEU 32 1.857 0.496 15.273 261 HG LEU 32 HG LEU 32 0.360 3.082 14.819 262 1HD1 LEU 32 1HD1 LEU 32 0.608 3.308 17.076 263 2HD1 LEU 32 2HD1 LEU 32 2.021 2.228 17.148 264 3HD1 LEU 32 3HD1 LEU 32 2.202 3.892 16.542 265 1HD2 LEU 32 1HD2 LEU 32 2.006 3.512 13.399 266 2HD2 LEU 32 2HD2 LEU 32 3.177 3.385 14.734 267 3HD2 LEU 32 3HD2 LEU 32 2.770 1.947 13.768 268 H GLN 33 HN GLN 33 -2.076 -0.554 14.458 269 HA GLN 33 HA GLN 33 -1.103 -3.132 14.990 270 1HB GLN 33 2HB GLN 33 -3.415 -1.753 15.562 271 2HB GLN 33 3HB GLN 33 -3.986 -2.834 14.306 272 1HG GLN 33 2HG GLN 33 -2.804 -4.736 15.628 273 2HG GLN 33 3HG GLN 33 -2.659 -3.586 16.942 274 1HE2 GLN 33 1HE2 GLN 33 -4.748 -2.344 17.411 275 2HE2 GLN 33 2HE2 GLN 33 -6.202 -3.279 17.522 276 H THR 34 HN THR 34 -3.347 -1.947 12.373 277 HA THR 34 HA THR 34 -2.803 -4.312 10.817 278 HB THR 34 HB THR 34 -4.730 -2.049 10.896 279 HG1 THR 34 HG1 THR 34 -5.438 -4.174 11.311 280 1HG2 THR 34 1HG2 THR 34 -3.922 -3.352 8.242 281 2HG2 THR 34 2HG2 THR 34 -5.375 -2.356 8.499 282 3HG2 THR 34 3HG2 THR 34 -3.758 -1.623 8.630 283 H GLU 35 HN GLU 35 -2.152 -0.764 10.520 284 HA GLU 35 HA GLU 35 -0.954 -0.775 8.116 285 1HB GLU 35 2HB GLU 35 -1.340 1.282 9.344 286 2HB GLU 35 3HB GLU 35 -0.246 0.799 10.624 287 1HG GLU 35 2HG GLU 35 1.424 1.853 9.509 288 2HG GLU 35 3HG GLU 35 1.314 0.615 8.274 289 H PHE 36 HN PHE 36 0.802 -1.152 11.287 290 HA PHE 36 HA PHE 36 2.556 -3.070 10.029 291 1HB PHE 36 2HB PHE 36 3.338 -0.313 11.126 292 2HB PHE 36 3HB PHE 36 4.516 -1.608 11.036 293 HD1 PHE 36 HD1 PHE 36 3.311 1.182 9.380 294 HD2 PHE 36 HD2 PHE 36 4.551 -2.804 8.613 295 HE1 PHE 36 HE1 PHE 36 3.799 1.793 6.995 296 HE2 PHE 36 HE2 PHE 36 5.039 -2.193 6.228 297 HZ PHE 36 HZ PHE 36 4.658 0.098 5.447 298 HA PRO 37 HA PRO 37 1.707 -4.066 14.311 299 1HB PRO 37 2HB PRO 37 1.352 -6.751 13.948 300 2HB PRO 37 3HB PRO 37 0.036 -5.595 13.894 301 1HG PRO 37 2HG PRO 37 1.362 -7.000 11.656 302 2HG PRO 37 3HG PRO 37 -0.193 -6.191 11.678 303 1HD PRO 37 2HD PRO 37 2.244 -5.197 10.536 304 2HD PRO 37 3HD PRO 37 0.720 -4.342 10.661 305 H SER 38 HN SER 38 4.199 -4.432 12.274 306 HA SER 38 HA SER 38 5.658 -6.248 13.938 307 1HB SER 38 2HB SER 38 5.780 -5.812 11.299 308 2HB SER 38 3HB SER 38 6.949 -4.595 11.771 309 HG SER 38 HG SER 38 7.554 -7.057 11.359 310 H LEU 39 HN LEU 39 5.320 -2.747 13.353 311 HA LEU 39 HA LEU 39 7.687 -1.988 14.698 312 1HB LEU 39 2HB LEU 39 5.634 -0.771 13.200 313 2HB LEU 39 3HB LEU 39 5.622 0.017 14.765 314 HG LEU 39 HG LEU 39 7.992 -0.225 12.894 315 1HD1 LEU 39 1HD1 LEU 39 5.866 1.536 12.789 316 2HD1 LEU 39 2HD1 LEU 39 7.111 2.449 13.675 317 3HD1 LEU 39 3HD1 LEU 39 7.475 1.780 12.066 318 1HD2 LEU 39 1HD2 LEU 39 8.008 1.447 15.386 319 2HD2 LEU 39 2HD2 LEU 39 8.391 -0.289 15.473 320 3HD2 LEU 39 3HD2 LEU 39 9.367 0.787 14.445 321 H LEU 40 HN LEU 40 4.610 -3.214 15.738 322 HA LEU 40 HA LEU 40 4.605 -1.915 18.275 323 1HB LEU 40 2HB LEU 40 3.088 -4.261 17.135 324 2HB LEU 40 3HB LEU 40 2.848 -3.659 18.763 325 HG LEU 40 HG LEU 40 2.494 -1.953 16.287 326 1HD1 LEU 40 1HD1 LEU 40 0.943 -3.904 16.310 327 2HD1 LEU 40 2HD1 LEU 40 0.316 -3.334 17.876 328 3HD1 LEU 40 3HD1 LEU 40 0.126 -2.326 16.422 329 1HD2 LEU 40 1HD2 LEU 40 1.088 -1.320 18.812 330 2HD2 LEU 40 2HD2 LEU 40 2.856 -1.114 18.832 331 3HD2 LEU 40 3HD2 LEU 40 1.873 -0.251 17.625 332 H LYS 41 HN LYS 41 6.017 -4.852 16.865 333 HA LYS 41 HA LYS 41 6.606 -6.010 19.414 334 1HB LYS 41 2HB LYS 41 7.579 -7.775 18.190 335 2HB LYS 41 3HB LYS 41 6.183 -7.270 17.260 336 1HG LYS 41 2HG LYS 41 7.475 -6.721 15.474 337 2HG LYS 41 3HG LYS 41 8.505 -5.701 16.459 338 1HD LYS 41 2HD LYS 41 8.782 -8.730 16.522 339 2HD LYS 41 3HD LYS 41 9.577 -7.778 15.283 340 1HE LYS 41 2HE LYS 41 10.885 -6.560 16.913 341 2HE LYS 41 3HE LYS 41 9.902 -7.137 18.244 342 1HZ LYS 41 1HZ LYS 41 12.154 -8.313 17.214 343 2HZ LYS 41 2HZ LYS 41 11.177 -8.908 18.380 344 3HZ LYS 41 3HZ LYS 41 10.926 -9.314 16.818 345 H GLY 42 HN GLY 42 8.108 -3.729 17.164 346 1HA GLY 42 1HA GLY 42 10.756 -3.861 17.665 347 2HA GLY 42 2HA GLY 42 9.874 -2.356 17.500 348 H MET 43 HN MET 43 12.133 -2.400 19.112 349 HA MET 43 HA MET 43 11.495 -3.012 21.781 350 1HB MET 43 2HB MET 43 13.639 -1.184 20.560 351 2HB MET 43 3HB MET 43 13.641 -1.726 22.226 352 1HG MET 43 2HG MET 43 13.423 -3.864 20.125 353 2HG MET 43 3HG MET 43 14.966 -3.043 20.246 354 1HE MET 43 1HE MET 43 14.272 -6.632 22.292 355 2HE MET 43 2HE MET 43 13.707 -5.954 20.746 356 3HE MET 43 3HE MET 43 15.451 -6.085 21.076 357 H SER 44 HN SER 44 10.305 -0.610 19.760 358 HA SER 44 HA SER 44 10.217 1.378 21.864 359 1HB SER 44 2HB SER 44 9.176 1.598 19.008 360 2HB SER 44 3HB SER 44 9.423 2.915 20.137 361 HG SER 44 HG SER 44 11.542 2.937 19.720 362 H THR 45 HN THR 45 8.624 0.764 23.338 363 HA THR 45 HA THR 45 6.290 -0.616 22.656 364 HB THR 45 HB THR 45 5.656 -0.055 24.978 365 HG1 THR 45 HG1 THR 45 7.976 1.720 24.862 366 1HG2 THR 45 1HG2 THR 45 7.549 -0.880 26.158 367 2HG2 THR 45 2HG2 THR 45 7.810 -1.524 24.520 368 3HG2 THR 45 3HG2 THR 45 8.696 -0.077 25.059 369 H LEU 46 HN LEU 46 4.013 0.303 23.158 370 HA LEU 46 HA LEU 46 3.354 2.041 21.146 371 1HB LEU 46 2HB LEU 46 1.953 0.442 22.645 372 2HB LEU 46 3HB LEU 46 1.738 1.850 23.666 373 HG LEU 46 HG LEU 46 -0.063 1.300 21.910 374 1HD1 LEU 46 1HD1 LEU 46 0.280 4.039 21.312 375 2HD1 LEU 46 2HD1 LEU 46 -0.731 3.305 22.580 376 3HD1 LEU 46 3HD1 LEU 46 0.945 3.783 22.944 377 1HD2 LEU 46 1HD2 LEU 46 1.631 2.867 19.995 378 2HD2 LEU 46 2HD2 LEU 46 1.824 1.101 20.109 379 3HD2 LEU 46 3HD2 LEU 46 0.243 1.798 19.683 380 H ASP 47 HN ASP 47 3.402 2.856 24.693 381 HA ASP 47 HA ASP 47 2.973 5.471 24.520 382 1HB ASP 47 2HB ASP 47 4.065 3.679 26.430 383 2HB ASP 47 3HB ASP 47 5.234 4.980 26.326 384 H GLU 48 HN GLU 48 6.163 3.761 24.179 385 HA GLU 48 HA GLU 48 7.746 5.969 23.900 386 1HB GLU 48 2HB GLU 48 7.947 3.105 23.440 387 2HB GLU 48 3HB GLU 48 8.793 3.962 22.167 388 1HG GLU 48 2HG GLU 48 9.712 5.405 24.259 389 2HG GLU 48 3HG GLU 48 9.344 3.929 25.128 390 H LEU 49 HN LEU 49 5.892 4.127 21.403 391 HA LEU 49 HA LEU 49 6.857 5.623 19.226 392 1HB LEU 49 2HB LEU 49 5.368 3.347 19.597 393 2HB LEU 49 3HB LEU 49 4.173 4.469 18.978 394 HG LEU 49 HG LEU 49 6.139 4.922 17.190 395 1HD1 LEU 49 1HD1 LEU 49 7.590 3.229 16.817 396 2HD1 LEU 49 2HD1 LEU 49 7.347 2.948 18.557 397 3HD1 LEU 49 3HD1 LEU 49 6.452 1.976 17.365 398 1HD2 LEU 49 1HD2 LEU 49 4.096 4.472 16.272 399 2HD2 LEU 49 2HD2 LEU 49 4.952 2.966 15.865 400 3HD2 LEU 49 3HD2 LEU 49 3.843 3.011 17.257 401 H PHE 50 HN PHE 50 3.980 5.929 21.381 402 HA PHE 50 HA PHE 50 2.710 7.958 20.017 403 1HB PHE 50 2HB PHE 50 1.916 6.598 22.025 404 2HB PHE 50 3HB PHE 50 3.055 7.465 23.036 405 HD1 PHE 50 HD1 PHE 50 1.750 8.681 24.521 406 HD2 PHE 50 HD2 PHE 50 0.776 8.769 20.392 407 HE1 PHE 50 HE1 PHE 50 0.015 10.439 24.968 408 HE2 PHE 50 HE2 PHE 50 -0.959 10.527 20.839 409 HZ PHE 50 HZ PHE 50 -1.319 11.341 23.122 410 H GLU 51 HN GLU 51 5.103 8.212 22.744 411 HA GLU 51 HA GLU 51 5.145 11.019 22.575 412 1HB GLU 51 2HB GLU 51 6.900 10.893 24.249 413 2HB GLU 51 3HB GLU 51 5.683 9.694 24.639 414 1HG GLU 51 2HG GLU 51 7.697 8.483 24.874 415 2HG GLU 51 3HG GLU 51 7.158 8.024 23.271 416 H GLU 52 HN GLU 52 7.172 8.350 21.271 417 HA GLU 52 HA GLU 52 9.269 9.901 20.393 418 1HB GLU 52 2HB GLU 52 9.411 7.471 20.475 419 2HB GLU 52 3HB GLU 52 8.111 7.299 19.312 420 1HG GLU 52 2HG GLU 52 9.469 8.286 17.534 421 2HG GLU 52 3HG GLU 52 10.725 8.736 18.670 422 H LEU 53 HN LEU 53 6.358 8.726 18.549 423 HA LEU 53 HA LEU 53 6.896 9.956 16.168 424 1HB LEU 53 2HB LEU 53 4.220 9.511 17.498 425 2HB LEU 53 3HB LEU 53 4.456 9.882 15.802 426 HG LEU 53 HG LEU 53 5.854 7.491 16.944 427 1HD1 LEU 53 1HD1 LEU 53 4.041 6.239 17.308 428 2HD1 LEU 53 2HD1 LEU 53 3.157 7.782 17.407 429 3HD1 LEU 53 3HD1 LEU 53 3.197 6.875 15.875 430 1HD2 LEU 53 1HD2 LEU 53 5.351 6.601 14.661 431 2HD2 LEU 53 2HD2 LEU 53 4.658 8.189 14.251 432 3HD2 LEU 53 3HD2 LEU 53 6.381 8.053 14.680 433 H ASP 54 HN ASP 54 4.834 11.301 18.847 434 HA ASP 54 HA ASP 54 4.460 13.744 17.713 435 1HB ASP 54 2HB ASP 54 3.314 12.907 19.763 436 2HB ASP 54 3HB ASP 54 4.808 13.048 20.667 437 H LYS 55 HN LYS 55 5.427 15.910 18.726 438 HA LYS 55 HA LYS 55 7.971 15.873 19.886 439 1HB LYS 55 2HB LYS 55 8.259 15.031 17.354 440 2HB LYS 55 3HB LYS 55 8.282 16.756 17.054 441 1HG LYS 55 2HG LYS 55 10.522 16.518 17.534 442 2HG LYS 55 3HG LYS 55 9.963 16.700 19.185 443 1HD LYS 55 2HD LYS 55 9.776 13.912 18.194 444 2HD LYS 55 3HD LYS 55 11.415 14.533 18.194 445 1HE LYS 55 2HE LYS 55 11.020 15.298 20.613 446 2HE LYS 55 3HE LYS 55 9.502 14.424 20.571 447 1HZ LYS 55 1HZ LYS 55 12.160 13.254 20.117 448 2HZ LYS 55 2HZ LYS 55 11.238 13.061 21.452 449 3HZ LYS 55 3HZ LYS 55 10.752 12.431 20.025 450 H ASN 56 HN ASN 56 5.612 17.504 17.718 451 HA ASN 56 HA ASN 56 6.410 20.074 18.148 452 1HB ASN 56 2HB ASN 56 3.487 19.192 17.989 453 2HB ASN 56 3HB ASN 56 4.161 20.712 17.436 454 1HD2 ASN 56 1HD2 ASN 56 5.934 20.533 15.791 455 2HD2 ASN 56 2HD2 ASN 56 5.741 19.382 14.511 456 H GLY 57 HN GLY 57 5.026 17.738 20.332 457 1HA GLY 57 1HA GLY 57 4.621 17.864 22.552 458 2HA GLY 57 2HA GLY 57 5.109 19.547 22.541 459 H ASP 58 HN ASP 58 2.436 17.607 21.001 460 HA ASP 58 HA ASP 58 0.601 19.504 22.226 461 1HB ASP 58 2HB ASP 58 -0.812 19.217 20.096 462 2HB ASP 58 3HB ASP 58 0.629 20.202 19.945 463 H GLY 59 HN GLY 59 0.922 16.401 20.335 464 1HA GLY 59 1HA GLY 59 0.324 14.393 21.695 465 2HA GLY 59 2HA GLY 59 -1.177 15.222 22.054 466 H GLU 60 HN GLU 60 -0.383 16.245 18.972 467 HA GLU 60 HA GLU 60 -2.069 14.161 17.846 468 1HB GLU 60 2HB GLU 60 -1.438 16.857 16.587 469 2HB GLU 60 3HB GLU 60 -2.745 15.765 16.178 470 1HG GLU 60 2HG GLU 60 -4.089 16.701 17.746 471 2HG GLU 60 3HG GLU 60 -2.915 16.373 19.006 472 H VAL 61 HN VAL 61 -1.217 12.715 16.400 473 HA VAL 61 HA VAL 61 1.507 13.255 15.483 474 HB VAL 61 HB VAL 61 -0.137 10.743 15.787 475 1HG1 VAL 61 1HG1 VAL 61 1.099 9.706 14.250 476 2HG1 VAL 61 2HG1 VAL 61 1.932 11.236 13.881 477 3HG1 VAL 61 3HG1 VAL 61 2.581 10.147 15.131 478 1HG2 VAL 61 1HG2 VAL 61 1.275 10.176 17.547 479 2HG2 VAL 61 2HG2 VAL 61 2.564 11.278 17.008 480 3HG2 VAL 61 3HG2 VAL 61 1.088 11.933 17.757 481 H SER 62 HN SER 62 0.072 14.914 14.087 482 HA SER 62 HA SER 62 -1.541 14.116 12.100 483 1HB SER 62 2HB SER 62 0.033 16.067 10.861 484 2HB SER 62 3HB SER 62 -1.386 16.358 11.847 485 HG SER 62 HG SER 62 1.359 16.660 12.487 486 H PHE 63 HN PHE 63 -0.863 14.240 9.585 487 HA PHE 63 HA PHE 63 0.543 11.936 9.029 488 1HB PHE 63 2HB PHE 63 -1.118 13.368 7.622 489 2HB PHE 63 3HB PHE 63 0.220 14.448 7.285 490 HD1 PHE 63 HD1 PHE 63 -0.356 10.750 7.198 491 HD2 PHE 63 HD2 PHE 63 1.157 14.179 5.208 492 HE1 PHE 63 HE1 PHE 63 0.301 9.324 5.240 493 HE2 PHE 63 HE2 PHE 63 1.814 12.752 3.250 494 HZ PHE 63 HZ PHE 63 1.378 10.342 3.289 495 H GLU 64 HN GLU 64 1.734 15.074 9.914 496 HA GLU 64 HA GLU 64 4.109 15.014 8.436 497 1HB GLU 64 2HB GLU 64 3.977 16.411 11.098 498 2HB GLU 64 3HB GLU 64 4.659 16.971 9.584 499 1HG GLU 64 2HG GLU 64 1.759 16.924 10.451 500 2HG GLU 64 3HG GLU 64 2.684 18.259 9.793 501 H GLU 65 HN GLU 65 3.429 14.318 11.946 502 HA GLU 65 HA GLU 65 5.987 13.439 12.498 503 1HB GLU 65 2HB GLU 65 3.368 12.624 13.834 504 2HB GLU 65 3HB GLU 65 4.964 12.431 14.531 505 1HG GLU 65 2HG GLU 65 4.344 15.190 13.575 506 2HG GLU 65 3HG GLU 65 3.355 14.638 14.912 507 H PHE 66 HN PHE 66 3.214 11.851 10.968 508 HA PHE 66 HA PHE 66 3.907 9.203 11.401 509 1HB PHE 66 2HB PHE 66 1.762 10.082 10.421 510 2HB PHE 66 3HB PHE 66 2.631 10.682 9.023 511 HD1 PHE 66 HD1 PHE 66 3.044 9.290 7.166 512 HD2 PHE 66 HD2 PHE 66 1.647 7.580 10.790 513 HE1 PHE 66 HE1 PHE 66 2.652 7.109 5.986 514 HE2 PHE 66 HE2 PHE 66 1.255 5.399 9.610 515 HZ PHE 66 HZ PHE 66 1.762 5.190 7.222 516 H GLN 67 HN GLN 67 5.030 11.583 8.947 517 HA GLN 67 HA GLN 67 6.309 9.769 7.307 518 1HB GLN 67 2HB GLN 67 7.079 12.667 7.871 519 2HB GLN 67 3HB GLN 67 7.565 11.737 6.467 520 1HG GLN 67 2HG GLN 67 4.839 11.388 6.361 521 2HG GLN 67 3HG GLN 67 4.919 12.973 7.105 522 1HE2 GLN 67 1HE2 GLN 67 3.902 12.372 4.535 523 2HE2 GLN 67 2HE2 GLN 67 4.853 13.194 3.343 524 H VAL 68 HN VAL 68 7.001 10.704 10.547 525 HA VAL 68 HA VAL 68 9.839 10.428 10.399 526 HB VAL 68 HB VAL 68 8.002 10.311 12.797 527 1HG1 VAL 68 1HG1 VAL 68 9.831 10.469 14.122 528 2HG1 VAL 68 2HG1 VAL 68 10.657 9.752 12.717 529 3HG1 VAL 68 3HG1 VAL 68 10.707 11.512 12.976 530 1HG2 VAL 68 1HG2 VAL 68 7.809 12.355 11.188 531 2HG2 VAL 68 2HG2 VAL 68 7.984 12.634 12.937 532 3HG2 VAL 68 3HG2 VAL 68 9.391 12.815 11.862 533 H LEU 69 HN LEU 69 7.021 8.338 11.169 534 HA LEU 69 HA LEU 69 8.650 6.169 12.033 535 1HB LEU 69 2HB LEU 69 6.081 6.854 12.404 536 2HB LEU 69 3HB LEU 69 5.876 5.726 11.080 537 HG LEU 69 HG LEU 69 6.957 3.954 12.359 538 1HD1 LEU 69 1HD1 LEU 69 7.426 6.138 14.384 539 2HD1 LEU 69 2HD1 LEU 69 7.400 4.418 14.841 540 3HD1 LEU 69 3HD1 LEU 69 8.594 5.006 13.660 541 1HD2 LEU 69 1HD2 LEU 69 5.175 4.600 14.497 542 2HD2 LEU 69 2HD2 LEU 69 4.463 5.170 12.968 543 3HD2 LEU 69 3HD2 LEU 69 4.944 3.466 13.144 544 H VAL 70 HN VAL 70 7.303 7.332 8.949 545 HA VAL 70 HA VAL 70 7.513 5.011 7.468 546 HB VAL 70 HB VAL 70 7.607 7.943 6.903 547 1HG1 VAL 70 1HG1 VAL 70 7.513 7.042 4.380 548 2HG1 VAL 70 2HG1 VAL 70 9.035 7.506 5.178 549 3HG1 VAL 70 3HG1 VAL 70 8.570 5.791 5.076 550 1HG2 VAL 70 1HG2 VAL 70 5.453 7.670 6.288 551 2HG2 VAL 70 2HG2 VAL 70 5.782 6.143 5.433 552 3HG2 VAL 70 3HG2 VAL 70 5.569 6.146 7.201 553 H LYS 71 HN LYS 71 9.988 7.098 8.838 554 HA LYS 71 HA LYS 71 12.054 6.343 7.052 555 1HB LYS 71 2HB LYS 71 11.753 8.333 8.845 556 2HB LYS 71 3HB LYS 71 12.693 7.225 9.823 557 1HG LYS 71 2HG LYS 71 13.877 7.250 7.201 558 2HG LYS 71 3HG LYS 71 13.590 8.918 7.652 559 1HD LYS 71 2HD LYS 71 15.776 8.363 8.494 560 2HD LYS 71 3HD LYS 71 14.718 8.425 9.890 561 1HE LYS 71 2HE LYS 71 14.640 6.050 10.100 562 2HE LYS 71 3HE LYS 71 15.175 5.791 8.451 563 1HZ LYS 71 1HZ LYS 71 17.302 6.102 9.028 564 2HZ LYS 71 2HZ LYS 71 16.989 7.248 10.148 565 3HZ LYS 71 3HZ LYS 71 16.785 5.670 10.516 566 H LYS 72 HN LYS 72 10.878 5.160 10.249 567 HA LYS 72 HA LYS 72 12.941 3.233 10.493 568 1HB LYS 72 2HB LYS 72 10.274 3.597 11.882 569 2HB LYS 72 3HB LYS 72 11.412 2.332 12.300 570 1HG LYS 72 2HG LYS 72 12.213 5.273 12.218 571 2HG LYS 72 3HG LYS 72 11.559 4.524 13.662 572 1HD LYS 72 2HD LYS 72 13.491 2.688 13.020 573 2HD LYS 72 3HD LYS 72 14.227 4.136 12.361 574 1HE LYS 72 2HE LYS 72 14.606 5.048 14.436 575 2HE LYS 72 3HE LYS 72 13.051 4.533 15.059 576 1HZ LYS 72 1HZ LYS 72 14.019 2.803 15.984 577 2HZ LYS 72 2HZ LYS 72 14.676 2.302 14.576 578 3HZ LYS 72 3HZ LYS 72 15.481 3.364 15.521 579 H ILE 73 HN ILE 73 9.599 3.255 9.169 580 HA ILE 73 HA ILE 73 9.610 0.443 8.697 581 HB ILE 73 HB ILE 73 7.817 2.631 7.639 582 1HG1 ILE 73 2HG1 ILE 73 7.112 0.768 9.889 583 2HG1 ILE 73 3HG1 ILE 73 8.077 2.194 10.216 584 1HG2 ILE 73 1HG2 ILE 73 6.361 0.287 7.756 585 2HG2 ILE 73 2HG2 ILE 73 7.041 1.033 6.291 586 3HG2 ILE 73 3HG2 ILE 73 7.943 -0.245 7.139 587 1HD1 ILE 73 1HD1 ILE 73 5.315 2.123 8.924 588 2HD1 ILE 73 2HD1 ILE 73 5.736 2.779 10.524 589 3HD1 ILE 73 3HD1 ILE 73 6.312 3.592 9.049 590 H SER 74 HN SER 74 11.313 3.010 7.327 591 HA SER 74 HA SER 74 11.149 1.980 4.646 592 1HB SER 74 2HB SER 74 12.031 4.465 5.940 593 2HB SER 74 3HB SER 74 13.198 3.911 4.756 594 HG SER 74 HG SER 74 11.640 5.250 3.727 595 H GLN 75 HN GLN 75 13.442 2.223 7.415 596 HA GLN 75 HA GLN 75 15.595 1.109 6.001 597 1HB GLN 75 2HB GLN 75 15.291 2.409 8.409 598 2HB GLN 75 3HB GLN 75 15.530 0.762 8.958 599 1HG GLN 75 2HG GLN 75 17.741 1.554 8.815 600 2HG GLN 75 3HG GLN 75 17.554 0.720 7.285 601 1HE2 GLN 75 1HE2 GLN 75 16.589 3.893 8.599 602 2HE2 GLN 75 2HE2 GLN 75 17.238 4.865 7.321 Start of MODEL 26 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 3.022 -0.503 -1.057 3 1HB LYS 1 2HB LYS 1 0.304 -0.973 -2.004 4 2HB LYS 1 3HB LYS 1 1.305 -0.247 -3.246 5 1HG LYS 1 2HG LYS 1 2.969 -2.003 -3.065 6 2HG LYS 1 3HG LYS 1 2.253 -2.625 -1.591 7 1HD LYS 1 2HD LYS 1 0.164 -3.201 -2.886 8 2HD LYS 1 3HD LYS 1 0.946 -2.647 -4.353 9 1HE LYS 1 2HE LYS 1 2.318 -4.734 -2.634 10 2HE LYS 1 3HE LYS 1 1.015 -5.220 -3.700 11 1HZ LYS 1 1HZ LYS 1 3.660 -4.490 -4.355 12 2HZ LYS 1 2HZ LYS 1 2.541 -5.249 -5.272 13 3HZ LYS 1 3HZ LYS 1 2.587 -3.617 -5.223 14 H SER 2 HN SER 2 0.534 2.064 -0.951 15 HA SER 2 HA SER 2 1.962 3.729 -2.733 16 1HB SER 2 2HB SER 2 -0.585 3.736 -1.360 17 2HB SER 2 3HB SER 2 0.203 5.275 -1.077 18 HG SER 2 HG SER 2 -0.908 4.251 -3.420 19 HA PRO 3 HA PRO 3 4.561 5.736 0.122 20 1HB PRO 3 2HB PRO 3 4.702 8.299 -0.816 21 2HB PRO 3 3HB PRO 3 5.602 6.970 -1.520 22 1HG PRO 3 2HG PRO 3 3.190 8.329 -2.556 23 2HG PRO 3 3HG PRO 3 4.333 7.316 -3.414 24 1HD PRO 3 2HD PRO 3 1.711 6.570 -2.522 25 2HD PRO 3 3HD PRO 3 2.898 5.525 -3.277 26 H GLU 4 HN GLU 4 2.149 8.237 -0.548 27 HA GLU 4 HA GLU 4 2.230 9.371 1.899 28 1HB GLU 4 2HB GLU 4 0.596 9.527 -0.413 29 2HB GLU 4 3HB GLU 4 -0.520 9.290 0.918 30 1HG GLU 4 2HG GLU 4 1.716 11.350 1.076 31 2HG GLU 4 3HG GLU 4 0.175 11.734 0.335 32 H GLU 5 HN GLU 5 0.344 6.490 0.838 33 HA GLU 5 HA GLU 5 -1.076 6.267 3.240 34 1HB GLU 5 2HB GLU 5 -2.038 4.394 2.275 35 2HB GLU 5 3HB GLU 5 -1.435 5.188 0.834 36 1HG GLU 5 2HG GLU 5 0.587 3.780 0.840 37 2HG GLU 5 3HG GLU 5 0.132 3.067 2.375 38 H LEU 6 HN LEU 6 2.013 4.887 2.009 39 HA LEU 6 HA LEU 6 2.466 3.005 3.955 40 1HB LEU 6 2HB LEU 6 4.068 4.568 2.045 41 2HB LEU 6 3HB LEU 6 4.962 3.985 3.435 42 HG LEU 6 HG LEU 6 3.288 2.208 1.642 43 1HD1 LEU 6 1HD1 LEU 6 5.919 3.364 1.209 44 2HD1 LEU 6 2HD1 LEU 6 5.970 1.585 1.232 45 3HD1 LEU 6 3HD1 LEU 6 4.881 2.430 0.106 46 1HD2 LEU 6 1HD2 LEU 6 3.568 0.690 3.235 47 2HD2 LEU 6 2HD2 LEU 6 5.320 0.752 2.928 48 3HD2 LEU 6 3HD2 LEU 6 4.598 1.793 4.178 49 H LYS 7 HN LYS 7 2.767 6.561 4.074 50 HA LYS 7 HA LYS 7 4.182 6.599 6.526 51 1HB LYS 7 2HB LYS 7 3.843 8.411 4.626 52 2HB LYS 7 3HB LYS 7 2.468 8.879 5.604 53 1HG LYS 7 2HG LYS 7 3.782 9.715 7.292 54 2HG LYS 7 3HG LYS 7 4.934 8.399 7.186 55 1HD LYS 7 2HD LYS 7 4.786 10.591 5.074 56 2HD LYS 7 3HD LYS 7 5.777 10.751 6.510 57 1HE LYS 7 2HE LYS 7 7.018 8.678 5.912 58 2HE LYS 7 3HE LYS 7 5.996 8.452 4.506 59 1HZ LYS 7 1HZ LYS 7 8.277 9.787 4.475 60 2HZ LYS 7 2HZ LYS 7 7.073 10.043 3.402 61 3HZ LYS 7 3HZ LYS 7 7.240 11.030 4.692 62 H GLY 8 HN GLY 8 0.703 7.220 5.671 63 1HA GLY 8 1HA GLY 8 -0.247 7.542 8.254 64 2HA GLY 8 2HA GLY 8 -1.174 6.971 6.880 65 H ILE 9 HN ILE 9 -0.226 4.521 6.217 66 HA ILE 9 HA ILE 9 -1.289 2.855 8.138 67 HB ILE 9 HB ILE 9 0.365 2.518 5.689 68 1HG1 ILE 9 2HG1 ILE 9 -2.357 1.556 6.606 69 2HG1 ILE 9 3HG1 ILE 9 -2.015 2.820 5.441 70 1HG2 ILE 9 1HG2 ILE 9 -0.128 0.322 7.713 71 2HG2 ILE 9 2HG2 ILE 9 0.295 0.032 6.008 72 3HG2 ILE 9 3HG2 ILE 9 1.432 0.893 7.073 73 1HD1 ILE 9 1HD1 ILE 9 -0.645 0.863 4.220 74 2HD1 ILE 9 2HD1 ILE 9 -1.771 -0.164 5.138 75 3HD1 ILE 9 3HD1 ILE 9 -2.401 1.043 3.992 76 H PHE 10 HN PHE 10 2.174 3.659 7.445 77 HA PHE 10 HA PHE 10 3.351 1.987 9.249 78 1HB PHE 10 2HB PHE 10 4.742 3.298 7.799 79 2HB PHE 10 3HB PHE 10 3.851 4.770 8.129 80 HD1 PHE 10 HD1 PHE 10 6.574 2.615 9.200 81 HD2 PHE 10 HD2 PHE 10 4.286 6.050 10.189 82 HE1 PHE 10 HE1 PHE 10 8.325 3.303 10.861 83 HE2 PHE 10 HE2 PHE 10 6.037 6.737 11.851 84 HZ PHE 10 HZ PHE 10 8.036 5.356 12.167 85 H GLU 11 HN GLU 11 2.276 5.413 9.841 86 HA GLU 11 HA GLU 11 2.969 5.382 12.520 87 1HB GLU 11 2HB GLU 11 1.693 7.172 10.652 88 2HB GLU 11 3HB GLU 11 0.732 7.145 12.117 89 1HG GLU 11 2HG GLU 11 3.275 7.272 13.180 90 2HG GLU 11 3HG GLU 11 3.504 8.160 11.687 91 H LYS 12 HN LYS 12 0.054 4.296 10.772 92 HA LYS 12 HA LYS 12 -1.672 4.143 12.954 93 1HB LYS 12 2HB LYS 12 -2.357 4.039 10.583 94 2HB LYS 12 3HB LYS 12 -1.603 2.465 10.428 95 1HG LYS 12 2HG LYS 12 -3.226 2.193 12.712 96 2HG LYS 12 3HG LYS 12 -4.193 3.186 11.639 97 1HD LYS 12 2HD LYS 12 -3.026 1.122 10.022 98 2HD LYS 12 3HD LYS 12 -3.637 0.342 11.467 99 1HE LYS 12 2HE LYS 12 -5.526 2.352 10.420 100 2HE LYS 12 3HE LYS 12 -5.155 1.120 9.230 101 1HZ LYS 12 1HZ LYS 12 -6.914 0.841 11.213 102 2HZ LYS 12 2HZ LYS 12 -6.221 -0.405 10.416 103 3HZ LYS 12 3HZ LYS 12 -5.614 0.086 11.850 104 H TYR 13 HN TYR 13 1.050 2.139 11.912 105 HA TYR 13 HA TYR 13 0.284 0.046 13.792 106 1HB TYR 13 2HB TYR 13 2.111 0.520 11.436 107 2HB TYR 13 3HB TYR 13 2.757 -0.567 12.649 108 HD1 TYR 13 HD1 TYR 13 -0.156 -0.034 10.386 109 HD2 TYR 13 HD2 TYR 13 2.051 -2.825 12.762 110 HE1 TYR 13 HE1 TYR 13 -1.495 -1.952 9.390 111 HE2 TYR 13 HE2 TYR 13 0.704 -4.733 11.758 112 HH TYR 13 HH TYR 13 -0.713 -5.307 10.198 113 H ALA 14 HN ALA 14 2.795 2.557 13.205 114 HA ALA 14 HA ALA 14 4.470 1.748 15.319 115 1HB ALA 14 1HB ALA 14 5.722 3.612 14.734 116 2HB ALA 14 2HB ALA 14 4.805 3.351 13.231 117 3HB ALA 14 3HB ALA 14 4.285 4.602 14.385 118 H ALA 15 HN ALA 15 1.430 3.510 15.137 119 HA ALA 15 HA ALA 15 1.783 4.728 17.727 120 1HB ALA 15 1HB ALA 15 0.515 5.691 15.702 121 2HB ALA 15 2HB ALA 15 -0.768 4.523 16.099 122 3HB ALA 15 3HB ALA 15 -0.303 5.771 17.281 123 H LYS 16 HN LYS 16 0.709 1.699 16.366 124 HA LYS 16 HA LYS 16 -1.230 0.938 18.173 125 1HB LYS 16 2HB LYS 16 0.164 -0.208 16.043 126 2HB LYS 16 3HB LYS 16 0.553 -1.240 17.403 127 1HG LYS 16 2HG LYS 16 -1.981 -1.241 17.945 128 2HG LYS 16 3HG LYS 16 -2.219 -0.508 16.371 129 1HD LYS 16 2HD LYS 16 -1.655 -2.440 15.220 130 2HD LYS 16 3HD LYS 16 -0.473 -2.941 16.413 131 1HE LYS 16 2HE LYS 16 -3.440 -2.962 17.077 132 2HE LYS 16 3HE LYS 16 -2.712 -4.300 16.210 133 1HZ LYS 16 1HZ LYS 16 -2.763 -4.216 18.797 134 2HZ LYS 16 2HZ LYS 16 -1.506 -4.894 18.006 135 3HZ LYS 16 3HZ LYS 16 -1.372 -3.381 18.607 136 H GLU 17 HN GLU 17 2.287 0.014 18.319 137 HA GLU 17 HA GLU 17 1.937 -0.006 21.216 138 1HB GLU 17 2HB GLU 17 3.530 -1.803 19.370 139 2HB GLU 17 3HB GLU 17 4.014 -1.623 21.044 140 1HG GLU 17 2HG GLU 17 1.216 -2.022 21.165 141 2HG GLU 17 3HG GLU 17 1.758 -3.127 19.917 142 H GLY 18 HN GLY 18 3.248 1.338 22.414 143 1HA GLY 18 1HA GLY 18 4.877 2.804 22.919 144 2HA GLY 18 2HA GLY 18 5.864 2.075 21.667 145 H ASP 19 HN ASP 19 6.348 4.642 21.759 146 HA ASP 19 HA ASP 19 4.563 6.393 20.657 147 1HB ASP 19 2HB ASP 19 7.056 6.617 21.646 148 2HB ASP 19 3HB ASP 19 7.492 6.589 19.948 149 HA PRO 20 HA PRO 20 4.590 5.076 16.461 150 1HB PRO 20 2HB PRO 20 3.295 7.189 15.310 151 2HB PRO 20 3HB PRO 20 2.459 5.876 16.116 152 1HG PRO 20 2HG PRO 20 2.933 8.633 17.070 153 2HG PRO 20 3HG PRO 20 1.765 7.459 17.643 154 1HD PRO 20 2HD PRO 20 4.233 8.187 18.912 155 2HD PRO 20 3HD PRO 20 3.122 6.931 19.423 156 H ASN 21 HN ASN 21 6.465 7.452 17.700 157 HA ASN 21 HA ASN 21 7.458 8.305 15.147 158 1HB ASN 21 2HB ASN 21 8.113 8.976 18.047 159 2HB ASN 21 3HB ASN 21 9.172 9.510 16.757 160 1HD2 ASN 21 1HD2 ASN 21 5.898 9.621 18.033 161 2HD2 ASN 21 2HD2 ASN 21 5.401 11.103 17.288 162 H GLN 22 HN GLN 22 7.743 5.549 16.974 163 HA GLN 22 HA GLN 22 10.324 4.980 15.857 164 1HB GLN 22 2HB GLN 22 10.865 3.918 18.270 165 2HB GLN 22 3HB GLN 22 11.326 5.555 17.848 166 1HG GLN 22 2HG GLN 22 9.146 6.378 18.842 167 2HG GLN 22 3HG GLN 22 8.792 4.737 19.346 168 1HE2 GLN 22 1HE2 GLN 22 8.748 5.397 21.500 169 2HE2 GLN 22 2HE2 GLN 22 10.186 5.699 22.417 170 H LEU 23 HN LEU 23 10.240 2.957 14.965 171 HA LEU 23 HA LEU 23 7.927 1.347 15.507 172 1HB LEU 23 2HB LEU 23 10.179 1.336 13.549 173 2HB LEU 23 3HB LEU 23 9.304 -0.158 13.822 174 HG LEU 23 HG LEU 23 8.585 1.418 11.894 175 1HD1 LEU 23 1HD1 LEU 23 7.102 -0.348 13.647 176 2HD1 LEU 23 2HD1 LEU 23 6.045 0.896 12.939 177 3HD1 LEU 23 3HD1 LEU 23 7.016 -0.154 11.880 178 1HD2 LEU 23 1HD2 LEU 23 8.383 3.520 12.872 179 2HD2 LEU 23 2HD2 LEU 23 6.697 2.968 12.729 180 3HD2 LEU 23 3HD2 LEU 23 7.530 2.887 14.300 181 H SER 24 HN SER 24 8.243 -1.097 15.868 182 HA SER 24 HA SER 24 10.562 -1.587 17.532 183 1HB SER 24 2HB SER 24 7.699 -2.163 18.419 184 2HB SER 24 3HB SER 24 9.145 -2.607 19.304 185 HG SER 24 HG SER 24 8.576 -0.693 20.242 186 H LYS 25 HN LYS 25 10.728 -4.033 18.055 187 HA LYS 25 HA LYS 25 10.641 -5.482 15.709 188 1HB LYS 25 2HB LYS 25 12.076 -5.934 17.696 189 2HB LYS 25 3HB LYS 25 10.674 -6.551 18.547 190 1HG LYS 25 2HG LYS 25 10.442 -8.033 16.290 191 2HG LYS 25 3HG LYS 25 12.170 -7.748 16.227 192 1HD LYS 25 2HD LYS 25 12.254 -9.603 17.582 193 2HD LYS 25 3HD LYS 25 11.953 -8.434 18.853 194 1HE LYS 25 2HE LYS 25 9.617 -8.953 18.946 195 2HE LYS 25 3HE LYS 25 9.636 -9.738 17.380 196 1HZ LYS 25 1HZ LYS 25 10.748 -11.556 18.254 197 2HZ LYS 25 2HZ LYS 25 11.221 -10.777 19.609 198 3HZ LYS 25 3HZ LYS 25 9.655 -11.195 19.412 199 H GLU 26 HN GLU 26 8.447 -5.782 18.595 200 HA GLU 26 HA GLU 26 6.748 -7.579 17.383 201 1HB GLU 26 2HB GLU 26 6.904 -6.131 19.850 202 2HB GLU 26 3HB GLU 26 5.285 -5.891 19.223 203 1HG GLU 26 2HG GLU 26 5.765 -8.623 18.759 204 2HG GLU 26 3HG GLU 26 6.525 -8.335 20.312 205 H GLU 27 HN GLU 27 6.769 -3.980 17.429 206 HA GLU 27 HA GLU 27 4.278 -3.624 16.299 207 1HB GLU 27 2HB GLU 27 6.755 -2.003 16.655 208 2HB GLU 27 3HB GLU 27 5.690 -1.456 15.376 209 1HG GLU 27 2HG GLU 27 3.809 -1.848 17.272 210 2HG GLU 27 3HG GLU 27 5.176 -1.609 18.342 211 H LEU 28 HN LEU 28 7.550 -3.604 14.699 212 HA LEU 28 HA LEU 28 6.640 -3.351 12.111 213 1HB LEU 28 2HB LEU 28 9.009 -3.264 13.154 214 2HB LEU 28 3HB LEU 28 9.048 -4.989 12.845 215 HG LEU 28 HG LEU 28 9.277 -4.739 10.603 216 1HD1 LEU 28 1HD1 LEU 28 8.315 -2.900 9.260 217 2HD1 LEU 28 2HD1 LEU 28 7.093 -3.782 10.206 218 3HD1 LEU 28 3HD1 LEU 28 7.656 -2.183 10.749 219 1HD2 LEU 28 1HD2 LEU 28 10.679 -2.821 10.025 220 2HD2 LEU 28 2HD2 LEU 28 10.184 -1.997 11.523 221 3HD2 LEU 28 3HD2 LEU 28 11.132 -3.501 11.607 222 H LYS 29 HN LYS 29 7.250 -6.346 14.056 223 HA LYS 29 HA LYS 29 6.832 -8.263 12.238 224 1HB LYS 29 2HB LYS 29 7.328 -8.639 14.616 225 2HB LYS 29 3HB LYS 29 5.694 -8.179 15.048 226 1HG LYS 29 2HG LYS 29 4.768 -10.152 14.248 227 2HG LYS 29 3HG LYS 29 5.939 -10.309 12.954 228 1HD LYS 29 2HD LYS 29 7.096 -11.800 14.205 229 2HD LYS 29 3HD LYS 29 7.431 -10.537 15.374 230 1HE LYS 29 2HE LYS 29 4.767 -11.252 15.931 231 2HE LYS 29 3HE LYS 29 5.527 -12.783 15.545 232 1HZ LYS 29 1HZ LYS 29 7.334 -12.023 17.108 233 2HZ LYS 29 2HZ LYS 29 6.292 -10.877 17.625 234 3HZ LYS 29 3HZ LYS 29 5.913 -12.457 17.786 235 H LEU 30 HN LEU 30 4.178 -6.539 14.023 236 HA LEU 30 HA LEU 30 2.081 -7.790 12.747 237 1HB LEU 30 2HB LEU 30 2.241 -4.955 13.781 238 2HB LEU 30 3HB LEU 30 0.767 -5.833 13.426 239 HG LEU 30 HG LEU 30 2.719 -6.242 15.676 240 1HD1 LEU 30 1HD1 LEU 30 0.766 -4.714 15.920 241 2HD1 LEU 30 2HD1 LEU 30 -0.307 -6.109 15.656 242 3HD1 LEU 30 3HD1 LEU 30 0.773 -6.072 17.071 243 1HD2 LEU 30 1HD2 LEU 30 1.546 -8.351 16.252 244 2HD2 LEU 30 2HD2 LEU 30 0.727 -8.292 14.672 245 3HD2 LEU 30 3HD2 LEU 30 2.498 -8.457 14.751 246 H LEU 31 HN LEU 31 3.676 -4.640 11.883 247 HA LEU 31 HA LEU 31 2.222 -4.126 9.620 248 1HB LEU 31 2HB LEU 31 4.073 -2.808 10.914 249 2HB LEU 31 3HB LEU 31 5.157 -3.540 9.748 250 HG LEU 31 HG LEU 31 3.011 -2.479 8.244 251 1HD1 LEU 31 1HD1 LEU 31 2.161 -0.882 9.572 252 2HD1 LEU 31 2HD1 LEU 31 3.568 -0.890 10.663 253 3HD1 LEU 31 3HD1 LEU 31 3.633 0.018 9.134 254 1HD2 LEU 31 1HD2 LEU 31 5.677 -1.121 8.578 255 2HD2 LEU 31 2HD2 LEU 31 5.538 -2.709 7.787 256 3HD2 LEU 31 3HD2 LEU 31 4.676 -1.303 7.118 257 H LEU 32 HN LEU 32 5.507 -5.690 9.677 258 HA LEU 32 HA LEU 32 5.552 -6.440 7.052 259 1HB LEU 32 2HB LEU 32 6.693 -7.963 9.398 260 2HB LEU 32 3HB LEU 32 7.196 -8.105 7.725 261 HG LEU 32 HG LEU 32 7.408 -5.543 9.327 262 1HD1 LEU 32 1HD1 LEU 32 8.889 -6.864 10.490 263 2HD1 LEU 32 2HD1 LEU 32 9.281 -7.869 9.074 264 3HD1 LEU 32 3HD1 LEU 32 9.938 -6.220 9.204 265 1HD2 LEU 32 1HD2 LEU 32 8.587 -6.381 6.665 266 2HD2 LEU 32 2HD2 LEU 32 7.339 -5.144 6.948 267 3HD2 LEU 32 3HD2 LEU 32 8.997 -4.888 7.544 268 H GLN 33 HN GLN 33 3.521 -7.625 9.633 269 HA GLN 33 HA GLN 33 3.064 -10.171 8.558 270 1HB GLN 33 2HB GLN 33 2.436 -8.886 10.913 271 2HB GLN 33 3HB GLN 33 0.870 -8.910 10.126 272 1HG GLN 33 2HG GLN 33 1.376 -11.439 9.649 273 2HG GLN 33 3HG GLN 33 2.637 -11.274 10.855 274 1HE2 GLN 33 1HE2 GLN 33 1.979 -10.262 12.943 275 2HE2 GLN 33 2HE2 GLN 33 0.449 -10.705 13.624 276 H THR 34 HN THR 34 1.307 -7.010 8.333 277 HA THR 34 HA THR 34 -0.385 -8.188 6.244 278 HB THR 34 HB THR 34 -0.670 -6.112 8.367 279 HG1 THR 34 HG1 THR 34 -2.407 -7.750 6.655 280 1HG2 THR 34 1HG2 THR 34 -2.301 -4.780 7.154 281 2HG2 THR 34 2HG2 THR 34 -0.816 -4.763 6.173 282 3HG2 THR 34 3HG2 THR 34 -2.171 -5.824 5.719 283 H GLU 35 HN GLU 35 1.591 -5.226 6.932 284 HA GLU 35 HA GLU 35 1.398 -4.064 4.521 285 1HB GLU 35 2HB GLU 35 2.587 -3.027 6.375 286 2HB GLU 35 3HB GLU 35 3.817 -4.275 6.360 287 1HG GLU 35 2HG GLU 35 3.993 -3.425 3.761 288 2HG GLU 35 3HG GLU 35 3.458 -1.939 4.522 289 H PHE 36 HN PHE 36 3.958 -6.469 5.479 290 HA PHE 36 HA PHE 36 3.920 -7.492 2.777 291 1HB PHE 36 2HB PHE 36 6.336 -6.226 4.200 292 2HB PHE 36 3HB PHE 36 6.501 -7.222 2.768 293 HD1 PHE 36 HD1 PHE 36 4.453 -6.349 0.972 294 HD2 PHE 36 HD2 PHE 36 6.759 -4.026 3.673 295 HE1 PHE 36 HE1 PHE 36 4.109 -4.327 -0.474 296 HE2 PHE 36 HE2 PHE 36 6.415 -2.004 2.227 297 HZ PHE 36 HZ PHE 36 5.094 -2.178 0.171 298 HA PRO 37 HA PRO 37 4.537 -10.718 5.819 299 1HB PRO 37 2HB PRO 37 2.859 -12.551 4.682 300 2HB PRO 37 3HB PRO 37 2.343 -11.411 5.909 301 1HG PRO 37 2HG PRO 37 1.815 -11.370 3.001 302 2HG PRO 37 3HG PRO 37 0.981 -10.510 4.280 303 1HD PRO 37 2HD PRO 37 2.891 -9.417 2.441 304 2HD PRO 37 3HD PRO 37 2.144 -8.588 3.792 305 H SER 38 HN SER 38 5.392 -10.217 2.699 306 HA SER 38 HA SER 38 6.362 -12.834 2.194 307 1HB SER 38 2HB SER 38 7.643 -10.744 0.606 308 2HB SER 38 3HB SER 38 6.597 -12.049 0.082 309 HG SER 38 HG SER 38 5.932 -9.376 0.824 310 H LEU 39 HN LEU 39 7.389 -10.144 4.088 311 HA LEU 39 HA LEU 39 10.171 -10.326 3.730 312 1HB LEU 39 2HB LEU 39 8.296 -8.836 5.283 313 2HB LEU 39 3HB LEU 39 9.528 -9.458 6.362 314 HG LEU 39 HG LEU 39 9.933 -7.157 5.404 315 1HD1 LEU 39 1HD1 LEU 39 12.391 -7.977 4.613 316 2HD1 LEU 39 2HD1 LEU 39 11.875 -7.844 6.311 317 3HD1 LEU 39 3HD1 LEU 39 11.832 -9.422 5.489 318 1HD2 LEU 39 1HD2 LEU 39 9.132 -7.801 3.090 319 2HD2 LEU 39 2HD2 LEU 39 10.639 -6.858 3.166 320 3HD2 LEU 39 3HD2 LEU 39 10.701 -8.612 2.868 321 H LEU 40 HN LEU 40 7.797 -12.117 5.700 322 HA LEU 40 HA LEU 40 9.802 -13.395 7.278 323 1HB LEU 40 2HB LEU 40 6.896 -14.106 6.857 324 2HB LEU 40 3HB LEU 40 7.947 -14.734 8.111 325 HG LEU 40 HG LEU 40 7.540 -11.770 7.929 326 1HD1 LEU 40 1HD1 LEU 40 5.405 -13.704 8.356 327 2HD1 LEU 40 2HD1 LEU 40 5.618 -12.613 9.747 328 3HD1 LEU 40 3HD1 LEU 40 5.329 -11.940 8.125 329 1HD2 LEU 40 1HD2 LEU 40 7.960 -11.807 10.272 330 2HD2 LEU 40 2HD2 LEU 40 7.790 -13.577 10.343 331 3HD2 LEU 40 3HD2 LEU 40 9.179 -12.850 9.501 332 H LYS 41 HN LYS 41 9.114 -13.555 4.029 333 HA LYS 41 HA LYS 41 9.644 -16.436 3.910 334 1HB LYS 41 2HB LYS 41 8.281 -14.505 2.046 335 2HB LYS 41 3HB LYS 41 8.978 -15.987 1.423 336 1HG LYS 41 2HG LYS 41 7.593 -16.851 3.705 337 2HG LYS 41 3HG LYS 41 6.549 -15.600 3.060 338 1HD LYS 41 2HD LYS 41 6.105 -16.771 1.101 339 2HD LYS 41 3HD LYS 41 7.682 -17.535 1.066 340 1HE LYS 41 2HE LYS 41 6.920 -19.373 2.174 341 2HE LYS 41 3HE LYS 41 6.176 -18.399 3.427 342 1HZ LYS 41 1HZ LYS 41 4.734 -18.160 1.034 343 2HZ LYS 41 2HZ LYS 41 4.904 -19.739 1.413 344 3HZ LYS 41 3HZ LYS 41 4.226 -18.710 2.485 345 H GLY 42 HN GLY 42 11.682 -14.509 4.696 346 1HA GLY 42 1HA GLY 42 13.469 -14.757 2.350 347 2HA GLY 42 2HA GLY 42 13.447 -13.340 3.381 348 H MET 43 HN MET 43 15.864 -14.543 3.143 349 HA MET 43 HA MET 43 16.218 -16.593 5.058 350 1HB MET 43 2HB MET 43 18.212 -14.716 3.669 351 2HB MET 43 3HB MET 43 18.668 -16.152 4.565 352 1HG MET 43 2HG MET 43 17.373 -17.577 2.987 353 2HG MET 43 3HG MET 43 16.840 -16.155 2.114 354 1HE MET 43 1HE MET 43 20.888 -18.192 2.097 355 2HE MET 43 2HE MET 43 19.560 -18.373 3.268 356 3HE MET 43 3HE MET 43 19.367 -18.973 1.603 357 H SER 44 HN SER 44 15.530 -13.330 5.409 358 HA SER 44 HA SER 44 17.287 -13.007 7.688 359 1HB SER 44 2HB SER 44 15.475 -11.089 6.170 360 2HB SER 44 3HB SER 44 16.255 -10.641 7.674 361 HG SER 44 HG SER 44 17.345 -10.935 5.104 362 H THR 45 HN THR 45 16.409 -14.172 9.410 363 HA THR 45 HA THR 45 13.665 -14.532 9.832 364 HB THR 45 HB THR 45 14.459 -15.366 12.049 365 HG1 THR 45 HG1 THR 45 16.616 -14.794 12.636 366 1HG2 THR 45 1HG2 THR 45 16.786 -16.070 10.273 367 2HG2 THR 45 2HG2 THR 45 15.745 -17.139 11.245 368 3HG2 THR 45 3HG2 THR 45 15.165 -16.510 9.684 369 H LEU 46 HN LEU 46 12.562 -13.818 11.972 370 HA LEU 46 HA LEU 46 11.999 -11.144 11.759 371 1HB LEU 46 2HB LEU 46 10.808 -13.117 12.960 372 2HB LEU 46 3HB LEU 46 11.746 -12.624 14.357 373 HG LEU 46 HG LEU 46 9.337 -11.730 14.065 374 1HD1 LEU 46 1HD1 LEU 46 9.946 -9.579 15.133 375 2HD1 LEU 46 2HD1 LEU 46 10.798 -10.977 15.833 376 3HD1 LEU 46 3HD1 LEU 46 11.650 -9.883 14.716 377 1HD2 LEU 46 1HD2 LEU 46 8.983 -9.816 12.722 378 2HD2 LEU 46 2HD2 LEU 46 10.715 -9.668 12.337 379 3HD2 LEU 46 3HD2 LEU 46 9.768 -11.021 11.672 380 H ASP 47 HN ASP 47 13.911 -12.665 14.456 381 HA ASP 47 HA ASP 47 14.741 -10.447 15.659 382 1HB ASP 47 2HB ASP 47 15.621 -13.186 15.462 383 2HB ASP 47 3HB ASP 47 17.051 -12.174 15.418 384 H GLU 48 HN GLU 48 16.380 -12.124 12.870 385 HA GLU 48 HA GLU 48 18.482 -10.402 12.603 386 1HB GLU 48 2HB GLU 48 17.222 -12.515 11.055 387 2HB GLU 48 3HB GLU 48 17.730 -11.230 9.977 388 1HG GLU 48 2HG GLU 48 19.963 -11.346 11.496 389 2HG GLU 48 3HG GLU 48 19.403 -12.984 11.765 390 H LEU 49 HN LEU 49 15.152 -10.215 11.220 391 HA LEU 49 HA LEU 49 15.603 -8.005 9.585 392 1HB LEU 49 2HB LEU 49 13.560 -9.724 10.036 393 2HB LEU 49 3HB LEU 49 12.949 -8.299 10.852 394 HG LEU 49 HG LEU 49 13.646 -7.110 8.577 395 1HD1 LEU 49 1HD1 LEU 49 12.756 -9.661 7.336 396 2HD1 LEU 49 2HD1 LEU 49 13.815 -8.376 6.705 397 3HD1 LEU 49 3HD1 LEU 49 14.452 -9.563 7.869 398 1HD2 LEU 49 1HD2 LEU 49 11.339 -7.546 9.758 399 2HD2 LEU 49 2HD2 LEU 49 11.412 -7.006 8.064 400 3HD2 LEU 49 3HD2 LEU 49 11.127 -8.722 8.439 401 H PHE 50 HN PHE 50 14.588 -8.276 13.041 402 HA PHE 50 HA PHE 50 14.127 -5.579 13.460 403 1HB PHE 50 2HB PHE 50 13.681 -7.674 14.934 404 2HB PHE 50 3HB PHE 50 15.382 -7.651 15.355 405 HD1 PHE 50 HD1 PHE 50 15.268 -7.224 17.661 406 HD2 PHE 50 HD2 PHE 50 13.167 -4.699 14.974 407 HE1 PHE 50 HE1 PHE 50 14.781 -5.631 19.539 408 HE2 PHE 50 HE2 PHE 50 12.680 -3.106 16.851 409 HZ PHE 50 HZ PHE 50 13.493 -3.591 19.111 410 H GLU 51 HN GLU 51 17.145 -7.529 14.004 411 HA GLU 51 HA GLU 51 18.611 -5.310 14.856 412 1HB GLU 51 2HB GLU 51 19.007 -8.127 14.556 413 2HB GLU 51 3HB GLU 51 20.314 -7.345 13.690 414 1HG GLU 51 2HG GLU 51 20.178 -5.823 16.016 415 2HG GLU 51 3HG GLU 51 19.760 -7.419 16.606 416 H GLU 52 HN GLU 52 18.081 -6.876 11.667 417 HA GLU 52 HA GLU 52 20.071 -5.478 10.325 418 1HB GLU 52 2HB GLU 52 18.838 -7.551 9.531 419 2HB GLU 52 3HB GLU 52 17.455 -6.536 9.171 420 1HG GLU 52 2HG GLU 52 19.668 -5.218 7.970 421 2HG GLU 52 3HG GLU 52 19.913 -6.920 7.628 422 H LEU 53 HN LEU 53 16.484 -4.900 10.527 423 HA LEU 53 HA LEU 53 16.433 -2.582 9.043 424 1HB LEU 53 2HB LEU 53 14.707 -3.373 11.392 425 2HB LEU 53 3HB LEU 53 14.331 -2.113 10.234 426 HG LEU 53 HG LEU 53 14.837 -4.897 9.235 427 1HD1 LEU 53 1HD1 LEU 53 13.022 -5.827 10.122 428 2HD1 LEU 53 2HD1 LEU 53 12.972 -4.449 11.247 429 3HD1 LEU 53 3HD1 LEU 53 12.016 -4.407 9.746 430 1HD2 LEU 53 1HD2 LEU 53 12.618 -3.475 8.062 431 2HD2 LEU 53 2HD2 LEU 53 14.074 -2.451 8.079 432 3HD2 LEU 53 3HD2 LEU 53 14.123 -4.056 7.310 433 H ASP 54 HN ASP 54 16.755 -2.947 12.643 434 HA ASP 54 HA ASP 54 17.110 -0.210 13.033 435 1HB ASP 54 2HB ASP 54 16.508 -2.122 14.718 436 2HB ASP 54 3HB ASP 54 18.235 -2.393 14.829 437 H LYS 55 HN LYS 55 18.772 -0.119 11.091 438 HA LYS 55 HA LYS 55 21.416 -1.063 11.790 439 1HB LYS 55 2HB LYS 55 20.504 -1.289 9.487 440 2HB LYS 55 3HB LYS 55 20.449 0.456 9.350 441 1HG LYS 55 2HG LYS 55 23.076 -0.207 10.292 442 2HG LYS 55 3HG LYS 55 22.717 -1.321 8.988 443 1HD LYS 55 2HD LYS 55 21.965 0.719 7.607 444 2HD LYS 55 3HD LYS 55 22.630 1.726 8.877 445 1HE LYS 55 2HE LYS 55 24.710 -0.077 8.385 446 2HE LYS 55 3HE LYS 55 24.034 0.166 6.787 447 1HZ LYS 55 1HZ LYS 55 25.577 1.931 8.305 448 2HZ LYS 55 2HZ LYS 55 25.081 2.085 6.757 449 3HZ LYS 55 3HZ LYS 55 24.144 2.640 7.974 450 H ASN 56 HN ASN 56 19.494 1.499 12.710 451 HA ASN 56 HA ASN 56 21.550 3.488 12.515 452 1HB ASN 56 2HB ASN 56 19.880 4.991 13.522 453 2HB ASN 56 3HB ASN 56 19.104 4.060 12.256 454 1HD2 ASN 56 1HD2 ASN 56 17.416 5.104 13.890 455 2HD2 ASN 56 2HD2 ASN 56 16.763 3.997 15.051 456 H GLY 57 HN GLY 57 21.250 0.801 14.341 457 1HA GLY 57 1HA GLY 57 21.628 0.191 16.500 458 2HA GLY 57 2HA GLY 57 23.013 1.244 16.288 459 H ASP 58 HN ASP 58 19.494 2.093 16.471 460 HA ASP 58 HA ASP 58 20.211 3.922 18.598 461 1HB ASP 58 2HB ASP 58 18.980 5.091 16.970 462 2HB ASP 58 3HB ASP 58 17.968 3.711 16.593 463 H GLY 59 HN GLY 59 17.956 1.251 17.669 464 1HA GLY 59 1HA GLY 59 17.609 -0.388 19.494 465 2HA GLY 59 2HA GLY 59 17.195 0.974 20.516 466 H GLU 60 HN GLU 60 16.067 2.011 17.609 467 HA GLU 60 HA GLU 60 13.665 0.414 17.627 468 1HB GLU 60 2HB GLU 60 13.659 3.431 18.081 469 2HB GLU 60 3HB GLU 60 12.229 2.489 17.710 470 1HG GLU 60 2HG GLU 60 14.034 1.855 20.085 471 2HG GLU 60 3HG GLU 60 12.674 2.954 20.205 472 H VAL 61 HN VAL 61 12.380 0.678 15.643 473 HA VAL 61 HA VAL 61 14.080 1.551 13.450 474 HB VAL 61 HB VAL 61 11.560 -0.104 13.627 475 1HG1 VAL 61 1HG1 VAL 61 13.112 0.779 11.173 476 2HG1 VAL 61 2HG1 VAL 61 11.909 -0.533 11.183 477 3HG1 VAL 61 3HG1 VAL 61 11.412 1.133 11.566 478 1HG2 VAL 61 1HG2 VAL 61 12.870 -1.961 13.401 479 2HG2 VAL 61 2HG2 VAL 61 14.114 -1.110 12.455 480 3HG2 VAL 61 3HG2 VAL 61 14.043 -0.903 14.222 481 H SER 62 HN SER 62 12.855 2.645 11.549 482 HA SER 62 HA SER 62 10.596 4.178 12.287 483 1HB SER 62 2HB SER 62 12.682 6.093 11.505 484 2HB SER 62 3HB SER 62 11.510 6.193 12.804 485 HG SER 62 HG SER 62 14.156 5.124 12.824 486 H PHE 63 HN PHE 63 10.141 5.860 10.387 487 HA PHE 63 HA PHE 63 9.913 4.485 8.051 488 1HB PHE 63 2HB PHE 63 8.824 6.682 8.811 489 2HB PHE 63 3HB PHE 63 10.338 7.503 8.487 490 HD1 PHE 63 HD1 PHE 63 11.040 7.972 6.219 491 HD2 PHE 63 HD2 PHE 63 7.426 5.879 6.971 492 HE1 PHE 63 HE1 PHE 63 10.325 8.353 3.844 493 HE2 PHE 63 HE2 PHE 63 6.711 6.260 4.595 494 HZ PHE 63 HZ PHE 63 8.169 7.492 3.060 495 H GLU 64 HN GLU 64 12.745 6.135 9.348 496 HA GLU 64 HA GLU 64 14.022 6.517 6.878 497 1HB GLU 64 2HB GLU 64 15.630 6.139 9.387 498 2HB GLU 64 3HB GLU 64 15.794 7.352 8.133 499 1HG GLU 64 2HG GLU 64 13.838 7.275 10.444 500 2HG GLU 64 3HG GLU 64 14.911 8.574 9.962 501 H GLU 65 HN GLU 65 14.542 4.087 9.541 502 HA GLU 65 HA GLU 65 16.338 2.585 8.026 503 1HB GLU 65 2HB GLU 65 14.642 1.823 10.443 504 2HB GLU 65 3HB GLU 65 15.942 0.836 9.806 505 1HG GLU 65 2HG GLU 65 17.596 2.239 10.605 506 2HG GLU 65 3HG GLU 65 16.657 3.691 10.317 507 H PHE 66 HN PHE 66 12.805 2.680 8.251 508 HA PHE 66 HA PHE 66 12.221 0.140 7.306 509 1HB PHE 66 2HB PHE 66 10.536 1.675 8.239 510 2HB PHE 66 3HB PHE 66 10.939 2.918 7.070 511 HD1 PHE 66 HD1 PHE 66 9.820 -0.653 7.016 512 HD2 PHE 66 HD2 PHE 66 9.406 3.245 5.392 513 HE1 PHE 66 HE1 PHE 66 7.986 -1.474 5.511 514 HE2 PHE 66 HE2 PHE 66 7.573 2.424 3.887 515 HZ PHE 66 HZ PHE 66 6.885 0.074 3.965 516 H GLN 67 HN GLN 67 13.101 3.174 5.592 517 HA GLN 67 HA GLN 67 12.358 2.426 3.070 518 1HB GLN 67 2HB GLN 67 14.859 4.034 3.722 519 2HB GLN 67 3HB GLN 67 13.863 4.156 2.286 520 1HG GLN 67 2HG GLN 67 12.017 4.570 4.348 521 2HG GLN 67 3HG GLN 67 13.459 5.356 4.961 522 1HE2 GLN 67 1HE2 GLN 67 10.723 5.908 3.369 523 2HE2 GLN 67 2HE2 GLN 67 11.152 7.232 2.339 524 H VAL 68 HN VAL 68 14.812 1.091 5.120 525 HA VAL 68 HA VAL 68 16.532 0.190 3.025 526 HB VAL 68 HB VAL 68 16.282 -0.668 5.915 527 1HG1 VAL 68 1HG1 VAL 68 17.677 -2.300 5.220 528 2HG1 VAL 68 2HG1 VAL 68 18.078 -1.455 3.706 529 3HG1 VAL 68 3HG1 VAL 68 18.905 -1.011 5.218 530 1HG2 VAL 68 1HG2 VAL 68 16.985 1.416 6.363 531 2HG2 VAL 68 2HG2 VAL 68 18.549 0.901 5.689 532 3HG2 VAL 68 3HG2 VAL 68 17.372 1.748 4.658 533 H LEU 69 HN LEU 69 13.682 -1.024 4.798 534 HA LEU 69 HA LEU 69 13.979 -3.674 3.739 535 1HB LEU 69 2HB LEU 69 12.900 -2.831 5.968 536 2HB LEU 69 3HB LEU 69 11.474 -2.594 4.977 537 HG LEU 69 HG LEU 69 11.301 -4.911 4.474 538 1HD1 LEU 69 1HD1 LEU 69 13.326 -5.821 3.990 539 2HD1 LEU 69 2HD1 LEU 69 14.148 -5.007 5.344 540 3HD1 LEU 69 3HD1 LEU 69 13.141 -6.444 5.647 541 1HD2 LEU 69 1HD2 LEU 69 12.087 -5.291 7.297 542 2HD2 LEU 69 2HD2 LEU 69 10.975 -3.937 6.984 543 3HD2 LEU 69 3HD2 LEU 69 10.534 -5.586 6.478 544 H VAL 70 HN VAL 70 12.354 -0.633 2.878 545 HA VAL 70 HA VAL 70 10.446 -1.603 1.139 546 HB VAL 70 HB VAL 70 12.035 0.927 1.367 547 1HG1 VAL 70 1HG1 VAL 70 10.509 0.015 -1.006 548 2HG1 VAL 70 2HG1 VAL 70 10.128 1.654 -0.425 549 3HG1 VAL 70 3HG1 VAL 70 11.800 1.231 -0.865 550 1HG2 VAL 70 1HG2 VAL 70 9.037 0.666 1.407 551 2HG2 VAL 70 2HG2 VAL 70 9.996 0.177 2.825 552 3HG2 VAL 70 3HG2 VAL 70 10.086 1.850 2.224 553 H LYS 71 HN LYS 71 13.959 -1.494 0.875 554 HA LYS 71 HA LYS 71 14.041 -1.692 -1.954 555 1HB LYS 71 2HB LYS 71 15.852 -1.146 0.052 556 2HB LYS 71 3HB LYS 71 16.333 -2.755 -0.448 557 1HG LYS 71 2HG LYS 71 15.951 -1.636 -2.906 558 2HG LYS 71 3HG LYS 71 16.366 -0.191 -2.005 559 1HD LYS 71 2HD LYS 71 18.051 -2.730 -1.881 560 2HD LYS 71 3HD LYS 71 18.327 -1.480 -3.078 561 1HE LYS 71 2HE LYS 71 18.157 -0.674 -0.169 562 2HE LYS 71 3HE LYS 71 19.621 -1.452 -0.735 563 1HZ LYS 71 1HZ LYS 71 18.571 1.140 -1.396 564 2HZ LYS 71 2HZ LYS 71 20.122 0.638 -1.291 565 3HZ LYS 71 3HZ LYS 71 19.253 0.329 -2.639 566 H LYS 72 HN LYS 72 14.148 -4.041 0.786 567 HA LYS 72 HA LYS 72 14.484 -6.277 -0.919 568 1HB LYS 72 2HB LYS 72 13.492 -6.148 1.944 569 2HB LYS 72 3HB LYS 72 14.058 -7.580 1.109 570 1HG LYS 72 2HG LYS 72 15.746 -5.078 1.584 571 2HG LYS 72 3HG LYS 72 15.816 -6.523 2.573 572 1HD LYS 72 2HD LYS 72 17.479 -7.157 1.131 573 2HD LYS 72 3HD LYS 72 16.155 -7.637 0.088 574 1HE LYS 72 2HE LYS 72 16.344 -4.944 -0.515 575 2HE LYS 72 3HE LYS 72 18.018 -5.323 -0.161 576 1HZ LYS 72 1HZ LYS 72 17.502 -7.348 -1.670 577 2HZ LYS 72 2HZ LYS 72 16.318 -6.387 -2.256 578 3HZ LYS 72 3HZ LYS 72 17.875 -5.902 -2.331 579 H ILE 73 HN ILE 73 11.795 -4.236 -0.055 580 HA ILE 73 HA ILE 73 9.850 -6.285 -0.695 581 HB ILE 73 HB ILE 73 9.643 -3.409 0.185 582 1HG1 ILE 73 2HG1 ILE 73 8.459 -5.631 1.749 583 2HG1 ILE 73 3HG1 ILE 73 10.210 -5.616 1.671 584 1HG2 ILE 73 1HG2 ILE 73 7.668 -3.390 -0.878 585 2HG2 ILE 73 2HG2 ILE 73 7.631 -5.159 -1.066 586 3HG2 ILE 73 3HG2 ILE 73 7.125 -4.418 0.470 587 1HD1 ILE 73 1HD1 ILE 73 9.550 -4.287 3.589 588 2HD1 ILE 73 2HD1 ILE 73 10.153 -3.163 2.347 589 3HD1 ILE 73 3HD1 ILE 73 8.401 -3.346 2.608 590 H SER 74 HN SER 74 11.904 -4.164 -2.365 591 HA SER 74 HA SER 74 9.989 -3.622 -4.442 592 1HB SER 74 2HB SER 74 11.581 -1.854 -3.828 593 2HB SER 74 3HB SER 74 12.940 -2.917 -4.135 594 HG SER 74 HG SER 74 12.097 -3.053 -6.411 595 H GLN 75 HN GLN 75 13.061 -5.461 -3.898 596 HA GLN 75 HA GLN 75 13.129 -6.471 -6.515 597 1HB GLN 75 2HB GLN 75 14.889 -6.367 -4.387 598 2HB GLN 75 3HB GLN 75 14.460 -8.067 -4.390 599 1HG GLN 75 2HG GLN 75 15.402 -8.455 -6.487 600 2HG GLN 75 3HG GLN 75 15.080 -6.830 -7.058 601 1HE2 GLN 75 1HE2 GLN 75 16.183 -5.149 -5.397 602 2HE2 GLN 75 2HE2 GLN 75 17.890 -5.379 -5.208 Start of MODEL 27 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.050 -1.016 -1.641 3 1HB LYS 1 2HB LYS 1 0.898 1.731 -1.772 4 2HB LYS 1 3HB LYS 1 2.148 1.338 -2.936 5 1HG LYS 1 2HG LYS 1 0.869 -0.724 -3.592 6 2HG LYS 1 3HG LYS 1 -0.391 -0.294 -2.452 7 1HD LYS 1 2HD LYS 1 -0.793 1.839 -3.678 8 2HD LYS 1 3HD LYS 1 0.496 1.451 -4.800 9 1HE LYS 1 2HE LYS 1 -0.791 -0.702 -5.369 10 2HE LYS 1 3HE LYS 1 -2.124 -0.070 -4.422 11 1HZ LYS 1 1HZ LYS 1 -1.955 0.415 -6.935 12 2HZ LYS 1 2HZ LYS 1 -2.495 1.576 -5.923 13 3HZ LYS 1 3HZ LYS 1 -0.960 1.625 -6.475 14 H SER 2 HN SER 2 2.939 2.043 0.093 15 HA SER 2 HA SER 2 5.631 1.781 -0.787 16 1HB SER 2 2HB SER 2 3.971 3.795 0.498 17 2HB SER 2 3HB SER 2 5.474 3.626 1.383 18 HG SER 2 HG SER 2 6.593 3.850 -0.734 19 HA PRO 3 HA PRO 3 7.169 -0.393 2.654 20 1HB PRO 3 2HB PRO 3 9.689 0.615 2.975 21 2HB PRO 3 3HB PRO 3 9.277 -0.561 1.744 22 1HG PRO 3 2HG PRO 3 9.791 2.335 1.443 23 2HG PRO 3 3HG PRO 3 9.800 1.085 0.215 24 1HD PRO 3 2HD PRO 3 7.731 3.015 0.683 25 2HD PRO 3 3HD PRO 3 7.691 1.694 -0.467 26 H GLU 4 HN GLU 4 7.748 3.062 2.972 27 HA GLU 4 HA GLU 4 8.137 3.073 5.674 28 1HB GLU 4 2HB GLU 4 7.790 4.978 3.606 29 2HB GLU 4 3HB GLU 4 6.587 5.395 4.809 30 1HG GLU 4 2HG GLU 4 9.431 4.784 5.670 31 2HG GLU 4 3HG GLU 4 9.037 6.365 5.024 32 H GLU 5 HN GLU 5 5.083 3.056 3.773 33 HA GLU 5 HA GLU 5 3.446 3.485 6.012 34 1HB GLU 5 2HB GLU 5 3.121 2.921 3.137 35 2HB GLU 5 3HB GLU 5 1.876 2.161 4.108 36 1HG GLU 5 2HG GLU 5 2.102 4.725 5.238 37 2HG GLU 5 3HG GLU 5 2.307 5.021 3.523 38 H LEU 6 HN LEU 6 4.911 0.630 4.474 39 HA LEU 6 HA LEU 6 3.259 -1.318 5.591 40 1HB LEU 6 2HB LEU 6 5.951 -1.192 4.357 41 2HB LEU 6 3HB LEU 6 5.617 -2.593 5.356 42 HG LEU 6 HG LEU 6 3.836 -1.718 3.069 43 1HD1 LEU 6 1HD1 LEU 6 4.895 -3.349 1.668 44 2HD1 LEU 6 2HD1 LEU 6 6.151 -2.262 2.309 45 3HD1 LEU 6 3HD1 LEU 6 5.945 -3.890 2.999 46 1HD2 LEU 6 1HD2 LEU 6 2.440 -3.293 3.763 47 2HD2 LEU 6 2HD2 LEU 6 3.729 -4.515 3.649 48 3HD2 LEU 6 3HD2 LEU 6 3.494 -3.607 5.162 49 H LYS 7 HN LYS 7 6.167 0.398 6.833 50 HA LYS 7 HA LYS 7 6.341 -1.188 9.173 51 1HB LYS 7 2HB LYS 7 8.050 0.446 7.905 52 2HB LYS 7 3HB LYS 7 7.451 1.580 9.098 53 1HG LYS 7 2HG LYS 7 7.943 -0.157 10.897 54 2HG LYS 7 3HG LYS 7 8.690 -1.153 9.664 55 1HD LYS 7 2HD LYS 7 9.561 1.726 10.148 56 2HD LYS 7 3HD LYS 7 10.252 0.389 11.046 57 1HE LYS 7 2HE LYS 7 11.339 -0.503 9.172 58 2HE LYS 7 3HE LYS 7 10.161 0.138 8.044 59 1HZ LYS 7 1HZ LYS 7 12.327 1.570 9.384 60 2HZ LYS 7 2HZ LYS 7 12.017 1.459 7.784 61 3HZ LYS 7 3HZ LYS 7 11.063 2.379 8.739 62 H GLY 8 HN GLY 8 5.024 2.118 8.467 63 1HA GLY 8 1HA GLY 8 4.150 2.750 11.012 64 2HA GLY 8 2HA GLY 8 3.443 3.322 9.514 65 H ILE 9 HN ILE 9 2.154 1.346 8.305 66 HA ILE 9 HA ILE 9 -0.111 0.924 9.817 67 HB ILE 9 HB ILE 9 1.004 -0.177 7.284 68 1HG1 ILE 9 2HG1 ILE 9 -1.460 1.395 8.072 69 2HG1 ILE 9 3HG1 ILE 9 -0.066 1.966 7.178 70 1HG2 ILE 9 1HG2 ILE 9 -0.896 -1.645 6.950 71 2HG2 ILE 9 2HG2 ILE 9 0.013 -2.142 8.398 72 3HG2 ILE 9 3HG2 ILE 9 -1.520 -1.254 8.570 73 1HD1 ILE 9 1HD1 ILE 9 -2.037 -0.167 6.236 74 2HD1 ILE 9 2HD1 ILE 9 -1.922 1.503 5.630 75 3HD1 ILE 9 3HD1 ILE 9 -0.594 0.355 5.334 76 H PHE 10 HN PHE 10 2.706 -1.263 9.211 77 HA PHE 10 HA PHE 10 1.773 -3.500 10.462 78 1HB PHE 10 2HB PHE 10 3.895 -3.601 9.356 79 2HB PHE 10 3HB PHE 10 4.444 -2.101 10.077 80 HD1 PHE 10 HD1 PHE 10 4.193 -5.707 10.489 81 HD2 PHE 10 HD2 PHE 10 5.344 -2.078 12.365 82 HE1 PHE 10 HE1 PHE 10 5.479 -7.004 12.210 83 HE2 PHE 10 HE2 PHE 10 6.629 -3.376 14.086 84 HZ PHE 10 HZ PHE 10 6.681 -5.824 13.988 85 H GLU 11 HN GLU 11 3.709 -0.815 11.975 86 HA GLU 11 HA GLU 11 3.577 -1.890 14.523 87 1HB GLU 11 2HB GLU 11 4.729 0.368 13.266 88 2HB GLU 11 3HB GLU 11 3.708 1.033 14.525 89 1HG GLU 11 2HG GLU 11 4.962 -1.153 15.780 90 2HG GLU 11 3HG GLU 11 6.225 -0.483 14.767 91 H LYS 12 HN LYS 12 1.414 0.333 12.716 92 HA LYS 12 HA LYS 12 -0.157 1.133 14.873 93 1HB LYS 12 2HB LYS 12 -0.067 2.159 12.582 94 2HB LYS 12 3HB LYS 12 -1.008 0.808 11.982 95 1HG LYS 12 2HG LYS 12 -2.428 1.661 14.267 96 2HG LYS 12 3HG LYS 12 -1.891 3.154 13.523 97 1HD LYS 12 2HD LYS 12 -2.789 1.485 11.383 98 2HD LYS 12 3HD LYS 12 -3.989 1.333 12.651 99 1HE LYS 12 2HE LYS 12 -4.113 3.850 12.798 100 2HE LYS 12 3HE LYS 12 -2.972 3.964 11.473 101 1HZ LYS 12 1HZ LYS 12 -4.591 3.578 10.050 102 2HZ LYS 12 2HZ LYS 12 -5.091 2.229 10.823 103 3HZ LYS 12 3HZ LYS 12 -5.670 3.689 11.270 104 H TYR 13 HN TYR 13 0.172 -1.934 13.250 105 HA TYR 13 HA TYR 13 -2.426 -2.835 14.223 106 1HB TYR 13 2HB TYR 13 -0.316 -3.550 12.216 107 2HB TYR 13 3HB TYR 13 -0.974 -4.951 13.038 108 HD1 TYR 13 HD1 TYR 13 -3.148 -5.788 12.514 109 HD2 TYR 13 HD2 TYR 13 -1.864 -2.031 10.921 110 HE1 TYR 13 HE1 TYR 13 -5.146 -5.764 10.941 111 HE2 TYR 13 HE2 TYR 13 -3.866 -2.020 9.353 112 HH TYR 13 HH TYR 13 -6.347 -4.515 9.581 113 H ALA 14 HN ALA 14 1.114 -3.483 14.579 114 HA ALA 14 HA ALA 14 0.782 -5.600 16.402 115 1HB ALA 14 1HB ALA 14 2.816 -4.995 14.976 116 2HB ALA 14 2HB ALA 14 3.161 -3.726 16.175 117 3HB ALA 14 3HB ALA 14 3.152 -5.436 16.667 118 H ALA 15 HN ALA 15 0.233 -2.209 16.650 119 HA ALA 15 HA ALA 15 0.865 -2.074 19.466 120 1HB ALA 15 1HB ALA 15 0.301 0.244 19.250 121 2HB ALA 15 2HB ALA 15 1.190 -0.196 17.772 122 3HB ALA 15 3HB ALA 15 -0.583 -0.042 17.732 123 H LYS 16 HN LYS 16 -1.846 -2.802 17.335 124 HA LYS 16 HA LYS 16 -3.970 -2.134 18.958 125 1HB LYS 16 2HB LYS 16 -3.486 -3.710 16.589 126 2HB LYS 16 3HB LYS 16 -4.618 -4.548 17.630 127 1HG LYS 16 2HG LYS 16 -6.017 -3.135 16.347 128 2HG LYS 16 3HG LYS 16 -5.843 -2.257 17.853 129 1HD LYS 16 2HD LYS 16 -3.842 -1.038 16.732 130 2HD LYS 16 3HD LYS 16 -4.398 -1.734 15.223 131 1HE LYS 16 2HE LYS 16 -6.147 -0.272 15.060 132 2HE LYS 16 3HE LYS 16 -6.606 -0.497 16.736 133 1HZ LYS 16 1HZ LYS 16 -4.407 0.875 17.065 134 2HZ LYS 16 2HZ LYS 16 -4.809 1.444 15.589 135 3HZ LYS 16 3HZ LYS 16 -5.852 1.599 16.835 136 H GLU 17 HN GLU 17 -2.488 -5.443 18.656 137 HA GLU 17 HA GLU 17 -3.213 -5.787 21.462 138 1HB GLU 17 2HB GLU 17 -3.335 -7.745 19.143 139 2HB GLU 17 3HB GLU 17 -3.293 -8.304 20.803 140 1HG GLU 17 2HG GLU 17 -5.250 -6.273 20.825 141 2HG GLU 17 3HG GLU 17 -5.515 -7.094 19.300 142 H GLY 18 HN GLY 18 -1.570 -6.364 22.857 143 1HA GLY 18 1HA GLY 18 0.463 -7.006 23.580 144 2HA GLY 18 2HA GLY 18 0.705 -7.854 22.066 145 H ASP 19 HN ASP 19 2.962 -6.778 22.938 146 HA ASP 19 HA ASP 19 3.399 -4.111 22.546 147 1HB ASP 19 2HB ASP 19 4.928 -6.132 23.398 148 2HB ASP 19 3HB ASP 19 5.483 -6.151 21.736 149 HA PRO 20 HA PRO 20 3.274 -3.840 18.162 150 1HB PRO 20 2HB PRO 20 4.442 -1.397 17.798 151 2HB PRO 20 3HB PRO 20 2.758 -1.598 18.238 152 1HG PRO 20 2HG PRO 20 5.026 -0.746 19.931 153 2HG PRO 20 3HG PRO 20 3.309 -0.549 20.217 154 1HD PRO 20 2HD PRO 20 5.044 -2.472 21.449 155 2HD PRO 20 3HD PRO 20 3.307 -2.350 21.646 156 H ASN 21 HN ASN 21 5.949 -4.484 19.887 157 HA ASN 21 HA ASN 21 7.695 -4.267 17.598 158 1HB ASN 21 2HB ASN 21 8.122 -5.009 20.531 159 2HB ASN 21 3HB ASN 21 9.394 -5.218 19.344 160 1HD2 ASN 21 1HD2 ASN 21 6.990 -2.802 20.377 161 2HD2 ASN 21 2HD2 ASN 21 8.019 -1.411 20.280 162 H GLN 22 HN GLN 22 5.316 -6.319 18.464 163 HA GLN 22 HA GLN 22 6.601 -8.543 17.219 164 1HB GLN 22 2HB GLN 22 5.644 -10.045 19.196 165 2HB GLN 22 3HB GLN 22 7.246 -9.342 19.297 166 1HG GLN 22 2HG GLN 22 5.210 -7.455 20.252 167 2HG GLN 22 3HG GLN 22 5.113 -8.974 21.121 168 1HE2 GLN 22 1HE2 GLN 22 5.991 -8.490 23.017 169 2HE2 GLN 22 2HE2 GLN 22 7.599 -7.901 23.280 170 H LEU 23 HN LEU 23 5.127 -9.622 15.934 171 HA LEU 23 HA LEU 23 2.370 -8.721 16.157 172 1HB LEU 23 2HB LEU 23 3.908 -10.157 13.994 173 2HB LEU 23 3HB LEU 23 2.181 -9.868 13.922 174 HG LEU 23 HG LEU 23 4.039 -8.239 12.838 175 1HD1 LEU 23 1HD1 LEU 23 1.952 -6.493 13.578 176 2HD1 LEU 23 2HD1 LEU 23 2.119 -7.434 12.076 177 3HD1 LEU 23 3HD1 LEU 23 1.234 -8.118 13.460 178 1HD2 LEU 23 1HD2 LEU 23 5.065 -7.591 14.925 179 2HD2 LEU 23 2HD2 LEU 23 4.214 -6.194 14.224 180 3HD2 LEU 23 3HD2 LEU 23 3.491 -7.085 15.585 181 H SER 24 HN SER 24 0.585 -10.301 16.014 182 HA SER 24 HA SER 24 1.406 -12.878 17.104 183 1HB SER 24 2HB SER 24 -1.135 -11.389 17.882 184 2HB SER 24 3HB SER 24 -0.514 -12.862 18.601 185 HG SER 24 HG SER 24 0.145 -11.269 20.001 186 H LYS 25 HN LYS 25 -0.396 -14.597 16.796 187 HA LYS 25 HA LYS 25 -0.994 -14.834 14.119 188 1HB LYS 25 2HB LYS 25 -0.867 -16.717 15.668 189 2HB LYS 25 3HB LYS 25 -2.292 -16.157 16.519 190 1HG LYS 25 2HG LYS 25 -3.455 -16.262 14.149 191 2HG LYS 25 3HG LYS 25 -2.098 -17.280 13.707 192 1HD LYS 25 2HD LYS 25 -3.488 -18.944 14.500 193 2HD LYS 25 3HD LYS 25 -2.749 -18.507 16.028 194 1HE LYS 25 2HE LYS 25 -4.690 -17.613 16.853 195 2HE LYS 25 3HE LYS 25 -5.061 -16.789 15.352 196 1HZ LYS 25 1HZ LYS 25 -6.158 -19.132 16.295 197 2HZ LYS 25 2HZ LYS 25 -6.469 -18.390 14.873 198 3HZ LYS 25 3HZ LYS 25 -5.308 -19.536 14.960 199 H GLU 26 HN GLU 26 -3.322 -14.079 16.813 200 HA GLU 26 HA GLU 26 -5.433 -13.532 15.159 201 1HB GLU 26 2HB GLU 26 -4.819 -13.343 17.951 202 2HB GLU 26 3HB GLU 26 -5.535 -11.813 17.487 203 1HG GLU 26 2HG GLU 26 -7.158 -13.668 16.165 204 2HG GLU 26 3HG GLU 26 -6.779 -14.494 17.664 205 H GLU 27 HN GLU 27 -2.770 -11.412 16.323 206 HA GLU 27 HA GLU 27 -3.854 -9.027 15.447 207 1HB GLU 27 2HB GLU 27 -1.282 -10.014 16.429 208 2HB GLU 27 3HB GLU 27 -1.045 -8.809 15.179 209 1HG GLU 27 2HG GLU 27 -3.160 -7.831 16.842 210 2HG GLU 27 3HG GLU 27 -1.923 -8.435 17.927 211 H LEU 28 HN LEU 28 -1.411 -11.196 13.840 212 HA LEU 28 HA LEU 28 -1.185 -9.767 11.499 213 1HB LEU 28 2HB LEU 28 0.056 -11.859 12.474 214 2HB LEU 28 3HB LEU 28 -1.104 -12.759 11.516 215 HG LEU 28 HG LEU 28 -0.239 -12.016 9.495 216 1HD1 LEU 28 1HD1 LEU 28 1.420 -10.069 9.388 217 2HD1 LEU 28 2HD1 LEU 28 -0.294 -9.680 9.672 218 3HD1 LEU 28 3HD1 LEU 28 0.860 -9.662 11.028 219 1HD2 LEU 28 1HD2 LEU 28 2.203 -12.308 9.605 220 2HD2 LEU 28 2HD2 LEU 28 2.136 -12.132 11.375 221 3HD2 LEU 28 3HD2 LEU 28 1.333 -13.511 10.586 222 H LYS 29 HN LYS 29 -3.584 -12.287 12.454 223 HA LYS 29 HA LYS 29 -4.841 -12.728 10.111 224 1HB LYS 29 2HB LYS 29 -5.395 -13.816 12.239 225 2HB LYS 29 3HB LYS 29 -6.120 -12.336 12.832 226 1HG LYS 29 2HG LYS 29 -7.979 -12.502 11.421 227 2HG LYS 29 3HG LYS 29 -7.102 -13.384 10.185 228 1HD LYS 29 2HD LYS 29 -7.928 -15.325 11.009 229 2HD LYS 29 3HD LYS 29 -7.052 -15.049 12.501 230 1HE LYS 29 2HE LYS 29 -9.766 -13.769 11.960 231 2HE LYS 29 3HE LYS 29 -9.614 -15.352 12.696 232 1HZ LYS 29 1HZ LYS 29 -9.717 -13.344 14.201 233 2HZ LYS 29 2HZ LYS 29 -8.566 -14.455 14.529 234 3HZ LYS 29 3HZ LYS 29 -8.164 -13.059 13.783 235 H LEU 30 HN LEU 30 -5.568 -9.987 12.383 236 HA LEU 30 HA LEU 30 -7.481 -8.779 10.811 237 1HB LEU 30 2HB LEU 30 -5.481 -7.482 12.667 238 2HB LEU 30 3HB LEU 30 -6.966 -6.754 12.087 239 HG LEU 30 HG LEU 30 -6.590 -8.968 14.082 240 1HD1 LEU 30 1HD1 LEU 30 -8.598 -6.759 14.291 241 2HD1 LEU 30 2HD1 LEU 30 -7.670 -7.590 15.562 242 3HD1 LEU 30 3HD1 LEU 30 -6.873 -6.386 14.521 243 1HD2 LEU 30 1HD2 LEU 30 -8.949 -8.579 12.267 244 2HD2 LEU 30 2HD2 LEU 30 -8.166 -10.080 12.815 245 3HD2 LEU 30 3HD2 LEU 30 -9.188 -9.149 13.936 246 H LEU 31 HN LEU 31 -3.925 -8.036 10.964 247 HA LEU 31 HA LEU 31 -3.867 -6.144 8.997 248 1HB LEU 31 2HB LEU 31 -2.053 -7.081 10.593 249 2HB LEU 31 3HB LEU 31 -1.698 -8.198 9.291 250 HG LEU 31 HG LEU 31 -1.831 -5.496 8.263 251 1HD1 LEU 31 1HD1 LEU 31 0.552 -5.210 9.664 252 2HD1 LEU 31 2HD1 LEU 31 -0.961 -4.312 9.934 253 3HD1 LEU 31 3HD1 LEU 31 -0.610 -5.772 10.890 254 1HD2 LEU 31 1HD2 LEU 31 -0.020 -7.843 8.214 255 2HD2 LEU 31 2HD2 LEU 31 -0.617 -6.815 6.889 256 3HD2 LEU 31 3HD2 LEU 31 0.730 -6.257 7.911 257 H LEU 32 HN LEU 32 -3.086 -9.662 8.489 258 HA LEU 32 HA LEU 32 -3.016 -9.579 5.759 259 1HB LEU 32 2HB LEU 32 -4.030 -11.851 7.472 260 2HB LEU 32 3HB LEU 32 -3.413 -11.971 5.836 261 HG LEU 32 HG LEU 32 -1.734 -10.965 8.143 262 1HD1 LEU 32 1HD1 LEU 32 -2.239 -13.786 7.213 263 2HD1 LEU 32 2HD1 LEU 32 -0.714 -13.322 8.005 264 3HD1 LEU 32 3HD1 LEU 32 -2.259 -13.122 8.865 265 1HD2 LEU 32 1HD2 LEU 32 -0.594 -12.291 5.731 266 2HD2 LEU 32 2HD2 LEU 32 -1.232 -10.640 5.547 267 3HD2 LEU 32 3HD2 LEU 32 0.051 -10.971 6.735 268 H GLN 33 HN GLN 33 -5.747 -9.182 7.896 269 HA GLN 33 HA GLN 33 -7.706 -10.052 6.088 270 1HB GLN 33 2HB GLN 33 -7.663 -9.337 8.749 271 2HB GLN 33 3HB GLN 33 -8.459 -7.942 8.048 272 1HG GLN 33 2HG GLN 33 -10.058 -9.522 6.862 273 2HG GLN 33 3HG GLN 33 -9.311 -10.857 7.717 274 1HE2 GLN 33 1HE2 GLN 33 -9.924 -11.344 9.713 275 2HE2 GLN 33 2HE2 GLN 33 -11.029 -10.440 10.693 276 H THR 34 HN THR 34 -6.519 -6.750 7.044 277 HA THR 34 HA THR 34 -7.923 -5.633 4.742 278 HB THR 34 HB THR 34 -6.925 -4.716 7.396 279 HG1 THR 34 HG1 THR 34 -8.848 -3.768 5.390 280 1HG2 THR 34 1HG2 THR 34 -7.098 -2.281 6.304 281 2HG2 THR 34 2HG2 THR 34 -5.532 -3.128 6.343 282 3HG2 THR 34 3HG2 THR 34 -6.505 -3.123 4.852 283 H GLU 35 HN GLU 35 -4.582 -5.786 6.131 284 HA GLU 35 HA GLU 35 -3.297 -4.410 4.214 285 1HB GLU 35 2HB GLU 35 -2.146 -5.247 6.180 286 2HB GLU 35 3HB GLU 35 -2.428 -6.913 5.715 287 1HG GLU 35 2HG GLU 35 -0.254 -6.677 4.935 288 2HG GLU 35 3HG GLU 35 -1.121 -6.183 3.495 289 H PHE 36 HN PHE 36 -3.841 -8.012 4.186 290 HA PHE 36 HA PHE 36 -4.165 -7.884 1.319 291 1HB PHE 36 2HB PHE 36 -1.976 -9.433 2.826 292 2HB PHE 36 3HB PHE 36 -2.400 -9.787 1.163 293 HD1 PHE 36 HD1 PHE 36 -2.647 -7.247 -0.132 294 HD2 PHE 36 HD2 PHE 36 0.084 -8.411 2.899 295 HE1 PHE 36 HE1 PHE 36 -1.029 -5.497 -0.919 296 HE2 PHE 36 HE2 PHE 36 1.703 -6.661 2.113 297 HZ PHE 36 HZ PHE 36 1.127 -5.225 0.213 298 HA PRO 37 HA PRO 37 -6.855 -10.921 3.203 299 1HB PRO 37 2HB PRO 37 -9.072 -10.350 1.710 300 2HB PRO 37 3HB PRO 37 -8.737 -9.595 3.255 301 1HG PRO 37 2HG PRO 37 -8.471 -8.457 0.540 302 2HG PRO 37 3HG PRO 37 -8.555 -7.620 2.078 303 1HD PRO 37 2HD PRO 37 -6.204 -8.078 0.501 304 2HD PRO 37 3HD PRO 37 -6.273 -7.345 2.091 305 H SER 38 HN SER 38 -5.965 -10.296 -0.052 306 HA SER 38 HA SER 38 -7.084 -12.620 -1.114 307 1HB SER 38 2HB SER 38 -5.542 -10.397 -2.033 308 2HB SER 38 3HB SER 38 -4.663 -11.835 -2.513 309 HG SER 38 HG SER 38 -6.495 -12.603 -3.638 310 H LEU 39 HN LEU 39 -4.073 -11.881 0.633 311 HA LEU 39 HA LEU 39 -2.710 -14.249 -0.106 312 1HB LEU 39 2HB LEU 39 -2.219 -11.880 1.393 313 2HB LEU 39 3HB LEU 39 -1.837 -13.248 2.419 314 HG LEU 39 HG LEU 39 0.018 -12.216 0.947 315 1HD1 LEU 39 1HD1 LEU 39 -0.563 -15.010 1.641 316 2HD1 LEU 39 2HD1 LEU 39 0.634 -14.815 0.338 317 3HD1 LEU 39 3HD1 LEU 39 0.899 -14.031 1.913 318 1HD2 LEU 39 1HD2 LEU 39 -0.567 -14.076 -1.224 319 2HD2 LEU 39 2HD2 LEU 39 -1.768 -12.770 -1.093 320 3HD2 LEU 39 3HD2 LEU 39 -0.042 -12.376 -1.275 321 H LEU 40 HN LEU 40 -5.335 -13.513 2.068 322 HA LEU 40 HA LEU 40 -4.847 -15.688 3.848 323 1HB LEU 40 2HB LEU 40 -7.233 -13.907 3.355 324 2HB LEU 40 3HB LEU 40 -7.199 -15.164 4.575 325 HG LEU 40 HG LEU 40 -5.284 -12.817 4.473 326 1HD1 LEU 40 1HD1 LEU 40 -7.870 -13.224 5.975 327 2HD1 LEU 40 2HD1 LEU 40 -6.614 -12.090 6.528 328 3HD1 LEU 40 3HD1 LEU 40 -7.379 -11.863 4.937 329 1HD2 LEU 40 1HD2 LEU 40 -4.087 -13.858 6.019 330 2HD2 LEU 40 2HD2 LEU 40 -5.523 -14.022 7.057 331 3HD2 LEU 40 3HD2 LEU 40 -5.140 -15.285 5.863 332 H LYS 41 HN LYS 41 -6.360 -15.231 0.696 333 HA LYS 41 HA LYS 41 -7.997 -17.536 0.807 334 1HB LYS 41 2HB LYS 41 -8.566 -17.022 -1.371 335 2HB LYS 41 3HB LYS 41 -8.117 -15.452 -0.739 336 1HG LYS 41 2HG LYS 41 -6.702 -15.310 -2.518 337 2HG LYS 41 3HG LYS 41 -5.669 -16.417 -1.636 338 1HD LYS 41 2HD LYS 41 -7.346 -18.238 -2.751 339 2HD LYS 41 3HD LYS 41 -7.514 -16.967 -3.946 340 1HE LYS 41 2HE LYS 41 -4.755 -17.832 -3.013 341 2HE LYS 41 3HE LYS 41 -5.600 -18.753 -4.240 342 1HZ LYS 41 1HZ LYS 41 -4.578 -16.046 -4.380 343 2HZ LYS 41 2HZ LYS 41 -4.530 -17.234 -5.500 344 3HZ LYS 41 3HZ LYS 41 -5.910 -16.396 -5.257 345 H GLY 42 HN GLY 42 -4.576 -16.907 0.145 346 1HA GLY 42 1HA GLY 42 -3.723 -18.944 -1.381 347 2HA GLY 42 2HA GLY 42 -2.867 -18.391 0.044 348 H MET 43 HN MET 43 -2.686 -21.074 -0.790 349 HA MET 43 HA MET 43 -4.600 -22.663 0.523 350 1HB MET 43 2HB MET 43 -1.745 -23.266 -0.435 351 2HB MET 43 3HB MET 43 -2.904 -24.495 0.035 352 1HG MET 43 2HG MET 43 -4.154 -24.263 -1.904 353 2HG MET 43 3HG MET 43 -3.879 -22.535 -2.008 354 1HE MET 43 1HE MET 43 -3.247 -22.471 -4.635 355 2HE MET 43 2HE MET 43 -2.407 -23.861 -5.364 356 3HE MET 43 3HE MET 43 -3.932 -24.107 -4.481 357 H SER 44 HN SER 44 -2.283 -20.608 1.787 358 HA SER 44 HA SER 44 -1.533 -22.393 3.929 359 1HB SER 44 2HB SER 44 -0.711 -19.529 3.278 360 2HB SER 44 3HB SER 44 -0.113 -20.424 4.661 361 HG SER 44 HG SER 44 1.104 -20.408 2.436 362 H THR 45 HN THR 45 -3.297 -22.646 5.316 363 HA THR 45 HA THR 45 -5.176 -20.640 5.851 364 HB THR 45 HB THR 45 -5.895 -22.227 7.608 365 HG1 THR 45 HG1 THR 45 -4.309 -24.030 7.979 366 1HG2 THR 45 1HG2 THR 45 -6.272 -24.145 6.285 367 2HG2 THR 45 2HG2 THR 45 -5.932 -22.931 5.028 368 3HG2 THR 45 3HG2 THR 45 -4.658 -24.065 5.539 369 H LEU 46 HN LEU 46 -5.616 -19.832 8.182 370 HA LEU 46 HA LEU 46 -3.692 -17.976 8.794 371 1HB LEU 46 2HB LEU 46 -6.198 -18.243 9.462 372 2HB LEU 46 3HB LEU 46 -5.558 -19.060 10.874 373 HG LEU 46 HG LEU 46 -6.092 -16.552 11.039 374 1HD1 LEU 46 1HD1 LEU 46 -4.120 -18.188 12.267 375 2HD1 LEU 46 2HD1 LEU 46 -3.433 -16.557 12.079 376 3HD1 LEU 46 3HD1 LEU 46 -4.976 -16.779 12.938 377 1HD2 LEU 46 1HD2 LEU 46 -3.343 -16.127 9.905 378 2HD2 LEU 46 2HD2 LEU 46 -4.768 -16.141 8.838 379 3HD2 LEU 46 3HD2 LEU 46 -4.661 -14.959 10.164 380 H ASP 47 HN ASP 47 -4.458 -20.930 10.776 381 HA ASP 47 HA ASP 47 -2.450 -20.786 12.509 382 1HB ASP 47 2HB ASP 47 -4.218 -22.797 11.548 383 2HB ASP 47 3HB ASP 47 -2.625 -23.526 11.487 384 H GLU 48 HN GLU 48 -2.350 -22.398 9.240 385 HA GLU 48 HA GLU 48 0.250 -23.225 9.331 386 1HB GLU 48 2HB GLU 48 -1.836 -22.904 7.333 387 2HB GLU 48 3HB GLU 48 -0.293 -22.447 6.640 388 1HG GLU 48 2HG GLU 48 0.515 -24.700 7.895 389 2HG GLU 48 3HG GLU 48 -1.178 -25.117 7.718 390 H LEU 49 HN LEU 49 -1.126 -20.051 8.295 391 HA LEU 49 HA LEU 49 1.261 -18.962 7.354 392 1HB LEU 49 2HB LEU 49 -1.360 -18.222 7.446 393 2HB LEU 49 3HB LEU 49 -0.663 -17.132 8.629 394 HG LEU 49 HG LEU 49 1.119 -16.757 6.659 395 1HD1 LEU 49 1HD1 LEU 49 0.503 -17.889 4.823 396 2HD1 LEU 49 2HD1 LEU 49 -1.177 -18.086 5.378 397 3HD1 LEU 49 3HD1 LEU 49 -0.667 -16.565 4.607 398 1HD2 LEU 49 1HD2 LEU 49 -1.069 -15.350 7.765 399 2HD2 LEU 49 2HD2 LEU 49 0.333 -14.697 6.884 400 3HD2 LEU 49 3HD2 LEU 49 -1.152 -15.127 6.001 401 H PHE 50 HN PHE 50 -0.286 -18.888 10.626 402 HA PHE 50 HA PHE 50 1.537 -17.246 11.857 403 1HB PHE 50 2HB PHE 50 -0.670 -18.252 12.713 404 2HB PHE 50 3HB PHE 50 0.154 -19.785 12.913 405 HD1 PHE 50 HD1 PHE 50 0.237 -20.188 15.191 406 HD2 PHE 50 HD2 PHE 50 1.270 -16.328 13.761 407 HE1 PHE 50 HE1 PHE 50 0.928 -19.514 17.508 408 HE2 PHE 50 HE2 PHE 50 1.962 -15.655 16.079 409 HZ PHE 50 HZ PHE 50 1.782 -17.256 17.924 410 H GLU 51 HN GLU 51 1.594 -20.866 11.556 411 HA GLU 51 HA GLU 51 3.942 -21.183 12.978 412 1HB GLU 51 2HB GLU 51 2.902 -23.213 12.725 413 2HB GLU 51 3HB GLU 51 2.271 -22.819 11.139 414 1HG GLU 51 2HG GLU 51 3.989 -24.638 11.052 415 2HG GLU 51 3HG GLU 51 4.448 -23.245 10.094 416 H GLU 52 HN GLU 52 3.378 -21.052 9.387 417 HA GLU 52 HA GLU 52 5.990 -21.313 8.645 418 1HB GLU 52 2HB GLU 52 3.987 -21.366 7.130 419 2HB GLU 52 3HB GLU 52 3.850 -19.624 7.274 420 1HG GLU 52 2HG GLU 52 5.567 -19.247 5.813 421 2HG GLU 52 3HG GLU 52 6.583 -20.473 6.544 422 H LEU 53 HN LEU 53 4.110 -18.242 9.165 423 HA LEU 53 HA LEU 53 6.138 -16.474 8.645 424 1HB LEU 53 2HB LEU 53 3.903 -16.251 10.665 425 2HB LEU 53 3HB LEU 53 4.876 -14.915 10.082 426 HG LEU 53 HG LEU 53 3.395 -16.597 8.089 427 1HD1 LEU 53 1HD1 LEU 53 1.369 -16.096 8.832 428 2HD1 LEU 53 2HD1 LEU 53 2.090 -15.335 10.271 429 3HD1 LEU 53 3HD1 LEU 53 1.767 -14.361 8.817 430 1HD2 LEU 53 1HD2 LEU 53 5.073 -14.621 7.659 431 2HD2 LEU 53 2HD2 LEU 53 3.591 -14.789 6.688 432 3HD2 LEU 53 3HD2 LEU 53 3.651 -13.614 8.023 433 H ASP 54 HN ASP 54 5.193 -17.819 11.889 434 HA ASP 54 HA ASP 54 7.491 -16.712 13.080 435 1HB ASP 54 2HB ASP 54 5.268 -17.309 14.214 436 2HB ASP 54 3HB ASP 54 5.743 -18.993 14.108 437 H LYS 55 HN LYS 55 9.399 -17.551 12.061 438 HA LYS 55 HA LYS 55 9.667 -20.474 12.105 439 1HB LYS 55 2HB LYS 55 11.315 -20.218 10.340 440 2HB LYS 55 3HB LYS 55 9.800 -19.473 9.870 441 1HG LYS 55 2HG LYS 55 10.747 -17.409 9.711 442 2HG LYS 55 3HG LYS 55 11.512 -17.553 11.281 443 1HD LYS 55 2HD LYS 55 13.172 -19.201 10.027 444 2HD LYS 55 3HD LYS 55 12.572 -18.421 8.577 445 1HE LYS 55 2HE LYS 55 13.789 -16.537 8.974 446 2HE LYS 55 3HE LYS 55 13.215 -16.425 10.625 447 1HZ LYS 55 1HZ LYS 55 15.304 -18.309 9.788 448 2HZ LYS 55 2HZ LYS 55 15.623 -16.821 10.380 449 3HZ LYS 55 3HZ LYS 55 14.873 -17.929 11.317 450 H ASN 56 HN ASN 56 10.410 -17.666 13.813 451 HA ASN 56 HA ASN 56 13.071 -18.481 14.500 452 1HB ASN 56 2HB ASN 56 12.944 -16.469 16.050 453 2HB ASN 56 3HB ASN 56 12.640 -16.078 14.368 454 1HD2 ASN 56 1HD2 ASN 56 11.790 -14.271 16.007 455 2HD2 ASN 56 2HD2 ASN 56 10.076 -14.291 16.259 456 H GLY 57 HN GLY 57 10.292 -19.916 15.135 457 1HA GLY 57 1HA GLY 57 9.219 -20.852 16.911 458 2HA GLY 57 2HA GLY 57 10.850 -21.371 17.290 459 H ASP 58 HN ASP 58 8.944 -18.273 17.528 460 HA ASP 58 HA ASP 58 9.873 -18.148 20.289 461 1HB ASP 58 2HB ASP 58 11.005 -16.309 19.466 462 2HB ASP 58 3HB ASP 58 9.932 -16.132 18.092 463 H GLY 59 HN GLY 59 7.516 -16.654 17.929 464 1HA GLY 59 1HA GLY 59 5.146 -17.398 18.447 465 2HA GLY 59 2HA GLY 59 5.453 -16.734 20.039 466 H GLU 60 HN GLU 60 7.341 -14.789 18.184 467 HA GLU 60 HA GLU 60 5.124 -12.948 17.738 468 1HB GLU 60 2HB GLU 60 8.043 -12.359 18.396 469 2HB GLU 60 3HB GLU 60 6.844 -11.133 18.036 470 1HG GLU 60 2HG GLU 60 6.764 -11.190 20.382 471 2HG GLU 60 3HG GLU 60 5.443 -12.262 19.962 472 H VAL 61 HN VAL 61 4.846 -12.050 15.698 473 HA VAL 61 HA VAL 61 6.717 -13.012 13.664 474 HB VAL 61 HB VAL 61 3.842 -12.104 13.611 475 1HG1 VAL 61 1HG1 VAL 61 5.841 -12.063 11.449 476 2HG1 VAL 61 2HG1 VAL 61 4.363 -12.974 11.055 477 3HG1 VAL 61 3HG1 VAL 61 4.251 -11.271 11.561 478 1HG2 VAL 61 1HG2 VAL 61 4.683 -14.518 14.233 479 2HG2 VAL 61 2HG2 VAL 61 3.291 -14.301 13.146 480 3HG2 VAL 61 3HG2 VAL 61 4.895 -14.678 12.472 481 H SER 62 HN SER 62 8.092 -11.182 14.862 482 HA SER 62 HA SER 62 7.553 -8.568 14.653 483 1HB SER 62 2HB SER 62 10.235 -8.610 13.987 484 2HB SER 62 3HB SER 62 9.602 -8.733 15.617 485 HG SER 62 HG SER 62 9.967 -11.055 13.938 486 H PHE 63 HN PHE 63 8.756 -6.948 13.046 487 HA PHE 63 HA PHE 63 7.548 -7.195 10.576 488 1HB PHE 63 2HB PHE 63 8.543 -5.150 11.833 489 2HB PHE 63 3HB PHE 63 10.128 -5.697 11.325 490 HD1 PHE 63 HD1 PHE 63 10.956 -4.284 9.709 491 HD2 PHE 63 HD2 PHE 63 6.863 -5.391 9.528 492 HE1 PHE 63 HE1 PHE 63 10.707 -3.011 7.560 493 HE2 PHE 63 HE2 PHE 63 6.614 -4.118 7.379 494 HZ PHE 63 HZ PHE 63 8.539 -2.944 6.420 495 H GLU 64 HN GLU 64 10.414 -8.733 11.797 496 HA GLU 64 HA GLU 64 11.835 -8.888 9.399 497 1HB GLU 64 2HB GLU 64 12.037 -11.068 11.466 498 2HB GLU 64 3HB GLU 64 13.314 -10.266 10.573 499 1HG GLU 64 2HG GLU 64 11.807 -9.291 13.011 500 2HG GLU 64 3HG GLU 64 13.539 -9.363 12.748 501 H GLU 65 HN GLU 65 9.767 -11.344 11.119 502 HA GLU 65 HA GLU 65 9.888 -13.216 9.108 503 1HB GLU 65 2HB GLU 65 7.718 -12.686 11.183 504 2HB GLU 65 3HB GLU 65 7.778 -14.127 10.188 505 1HG GLU 65 2HG GLU 65 9.491 -15.051 11.399 506 2HG GLU 65 3HG GLU 65 10.358 -13.533 11.518 507 H PHE 66 HN PHE 66 8.022 -10.236 9.406 508 HA PHE 66 HA PHE 66 5.915 -10.828 7.702 509 1HB PHE 66 2HB PHE 66 6.438 -8.784 9.255 510 2HB PHE 66 3HB PHE 66 7.473 -8.192 7.971 511 HD1 PHE 66 HD1 PHE 66 6.493 -6.399 6.917 512 HD2 PHE 66 HD2 PHE 66 4.048 -9.695 7.997 513 HE1 PHE 66 HE1 PHE 66 4.518 -5.289 5.836 514 HE2 PHE 66 HE2 PHE 66 2.073 -8.585 6.917 515 HZ PHE 66 HZ PHE 66 2.332 -6.395 5.850 516 H GLN 67 HN GLN 67 9.274 -9.713 7.043 517 HA GLN 67 HA GLN 67 8.882 -9.083 4.386 518 1HB GLN 67 2HB GLN 67 11.432 -10.218 5.606 519 2HB GLN 67 3HB GLN 67 11.312 -9.189 4.193 520 1HG GLN 67 2HG GLN 67 10.176 -7.450 5.769 521 2HG GLN 67 3HG GLN 67 10.753 -8.446 7.091 522 1HE2 GLN 67 1HE2 GLN 67 11.639 -6.435 4.376 523 2HE2 GLN 67 2HE2 GLN 67 13.287 -6.135 4.815 524 H VAL 68 HN VAL 68 8.716 -12.122 5.983 525 HA VAL 68 HA VAL 68 9.674 -13.705 3.800 526 HB VAL 68 HB VAL 68 8.001 -14.505 6.186 527 1HG1 VAL 68 1HG1 VAL 68 7.989 -16.411 4.938 528 2HG1 VAL 68 2HG1 VAL 68 9.468 -15.974 4.049 529 3HG1 VAL 68 3HG1 VAL 68 9.582 -16.624 5.703 530 1HG2 VAL 68 1HG2 VAL 68 10.219 -13.209 6.622 531 2HG2 VAL 68 2HG2 VAL 68 9.914 -14.729 7.496 532 3HG2 VAL 68 3HG2 VAL 68 11.005 -14.714 6.090 533 H LEU 69 HN LEU 69 6.532 -12.480 5.022 534 HA LEU 69 HA LEU 69 5.037 -14.028 3.139 535 1HB LEU 69 2HB LEU 69 4.387 -13.085 5.485 536 2HB LEU 69 3HB LEU 69 3.997 -11.625 4.597 537 HG LEU 69 HG LEU 69 2.312 -12.734 3.315 538 1HD1 LEU 69 1HD1 LEU 69 2.844 -14.822 2.671 539 2HD1 LEU 69 2HD1 LEU 69 3.722 -15.182 4.177 540 3HD1 LEU 69 3HD1 LEU 69 1.946 -15.295 4.133 541 1HD2 LEU 69 1HD2 LEU 69 2.239 -13.292 6.272 542 2HD2 LEU 69 2HD2 LEU 69 1.382 -12.046 5.333 543 3HD2 LEU 69 3HD2 LEU 69 0.884 -13.751 5.213 544 H VAL 70 HN VAL 70 6.553 -10.814 3.289 545 HA VAL 70 HA VAL 70 5.176 -9.541 1.278 546 HB VAL 70 HB VAL 70 7.950 -9.412 2.386 547 1HG1 VAL 70 1HG1 VAL 70 7.033 -8.217 -0.202 548 2HG1 VAL 70 2HG1 VAL 70 8.069 -7.238 0.864 549 3HG1 VAL 70 3HG1 VAL 70 8.638 -8.819 0.277 550 1HG2 VAL 70 1HG2 VAL 70 6.801 -6.899 2.458 551 2HG2 VAL 70 2HG2 VAL 70 5.402 -7.981 2.662 552 3HG2 VAL 70 3HG2 VAL 70 6.784 -8.092 3.779 553 H LYS 71 HN LYS 71 7.309 -12.314 1.141 554 HA LYS 71 HA LYS 71 8.083 -11.995 -1.567 555 1HB LYS 71 2HB LYS 71 8.965 -13.511 0.492 556 2HB LYS 71 3HB LYS 71 7.996 -14.705 -0.348 557 1HG LYS 71 2HG LYS 71 9.617 -13.101 -2.215 558 2HG LYS 71 3HG LYS 71 10.611 -13.908 -1.018 559 1HD LYS 71 2HD LYS 71 9.607 -16.089 -1.584 560 2HD LYS 71 3HD LYS 71 8.474 -15.323 -2.680 561 1HE LYS 71 2HE LYS 71 10.019 -15.722 -4.309 562 2HE LYS 71 3HE LYS 71 10.908 -14.372 -3.632 563 1HZ LYS 71 1HZ LYS 71 11.481 -16.569 -2.077 564 2HZ LYS 71 2HZ LYS 71 11.598 -17.072 -3.626 565 3HZ LYS 71 3HZ LYS 71 12.480 -15.798 -3.113 566 H LYS 72 HN LYS 72 5.503 -13.882 0.134 567 HA LYS 72 HA LYS 72 4.467 -14.937 -2.280 568 1HB LYS 72 2HB LYS 72 3.284 -14.718 0.504 569 2HB LYS 72 3HB LYS 72 2.559 -15.613 -0.816 570 1HG LYS 72 2HG LYS 72 3.786 -17.307 0.225 571 2HG LYS 72 3HG LYS 72 4.936 -16.778 -0.986 572 1HD LYS 72 2HD LYS 72 6.273 -15.625 0.581 573 2HD LYS 72 3HD LYS 72 4.953 -15.418 1.715 574 1HE LYS 72 2HE LYS 72 6.286 -18.091 1.061 575 2HE LYS 72 3HE LYS 72 6.629 -17.125 2.482 576 1HZ LYS 72 1HZ LYS 72 4.839 -17.932 3.450 577 2HZ LYS 72 2HZ LYS 72 3.861 -17.526 2.207 578 3HZ LYS 72 3HZ LYS 72 4.636 -18.963 2.200 579 H ILE 73 HN ILE 73 4.064 -11.924 -0.468 580 HA ILE 73 HA ILE 73 1.622 -11.217 -1.761 581 HB ILE 73 HB ILE 73 3.612 -9.717 -0.067 582 1HG1 ILE 73 2HG1 ILE 73 0.772 -10.261 0.702 583 2HG1 ILE 73 3HG1 ILE 73 1.910 -11.594 0.753 584 1HG2 ILE 73 1HG2 ILE 73 2.060 -7.854 -0.002 585 2HG2 ILE 73 2HG2 ILE 73 2.572 -8.168 -1.677 586 3HG2 ILE 73 3HG2 ILE 73 0.963 -8.692 -1.125 587 1HD1 ILE 73 1HD1 ILE 73 2.841 -9.009 1.956 588 2HD1 ILE 73 2HD1 ILE 73 1.569 -9.896 2.831 589 3HD1 ILE 73 3HD1 ILE 73 3.130 -10.682 2.492 590 H SER 74 HN SER 74 4.905 -11.396 -2.728 591 HA SER 74 HA SER 74 4.657 -9.196 -4.565 592 1HB SER 74 2HB SER 74 6.960 -9.372 -4.874 593 2HB SER 74 3HB SER 74 6.800 -9.981 -3.239 594 HG SER 74 HG SER 74 7.502 -11.338 -5.610 595 H GLN 75 HN GLN 75 4.779 -12.793 -4.505 596 HA GLN 75 HA GLN 75 4.839 -13.055 -7.298 597 1HB GLN 75 2HB GLN 75 5.236 -14.748 -5.175 598 2HB GLN 75 3HB GLN 75 3.639 -15.259 -5.684 599 1HG GLN 75 2HG GLN 75 5.254 -16.594 -6.906 600 2HG GLN 75 3HG GLN 75 4.512 -15.492 -8.049 601 1HE2 GLN 75 1HE2 GLN 75 7.171 -15.453 -5.671 602 2HE2 GLN 75 2HE2 GLN 75 8.366 -14.724 -6.691 Start of MODEL 28 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.820 0.791 -1.178 3 1HB LYS 1 2HB LYS 1 2.529 -2.018 -0.635 4 2HB LYS 1 3HB LYS 1 2.556 -1.776 -2.370 5 1HG LYS 1 2HG LYS 1 4.571 -0.071 -1.642 6 2HG LYS 1 3HG LYS 1 4.696 -1.242 -0.344 7 1HD LYS 1 2HD LYS 1 4.553 -3.023 -2.316 8 2HD LYS 1 3HD LYS 1 5.043 -1.674 -3.321 9 1HE LYS 1 2HE LYS 1 6.810 -1.471 -1.174 10 2HE LYS 1 3HE LYS 1 6.616 -3.206 -1.325 11 1HZ LYS 1 1HZ LYS 1 7.701 -3.200 -3.244 12 2HZ LYS 1 2HZ LYS 1 6.942 -1.876 -3.826 13 3HZ LYS 1 3HZ LYS 1 8.230 -1.710 -2.836 14 H SER 2 HN SER 2 -0.406 -0.710 -1.500 15 HA SER 2 HA SER 2 -0.583 -0.076 -4.254 16 1HB SER 2 2HB SER 2 -2.203 -1.436 -2.220 17 2HB SER 2 3HB SER 2 -3.197 -0.431 -3.255 18 HG SER 2 HG SER 2 -2.534 -1.571 -5.076 19 HA PRO 3 HA PRO 3 -2.259 3.928 -3.929 20 1HB PRO 3 2HB PRO 3 -4.114 4.050 -5.932 21 2HB PRO 3 3HB PRO 3 -2.390 4.193 -6.212 22 1HG PRO 3 2HG PRO 3 -4.172 1.898 -6.756 23 2HG PRO 3 3HG PRO 3 -2.576 2.225 -7.401 24 1HD PRO 3 2HD PRO 3 -3.242 0.343 -5.341 25 2HD PRO 3 3HD PRO 3 -1.635 0.754 -5.905 26 H GLU 4 HN GLU 4 -4.840 1.554 -4.227 27 HA GLU 4 HA GLU 4 -6.775 3.182 -3.108 28 1HB GLU 4 2HB GLU 4 -6.592 0.545 -4.111 29 2HB GLU 4 3HB GLU 4 -7.155 0.352 -2.463 30 1HG GLU 4 2HG GLU 4 -8.485 2.565 -3.942 31 2HG GLU 4 3HG GLU 4 -8.769 0.978 -4.629 32 H GLU 5 HN GLU 5 -4.143 1.296 -1.685 33 HA GLU 5 HA GLU 5 -5.207 1.048 0.869 34 1HB GLU 5 2HB GLU 5 -2.663 0.583 -0.479 35 2HB GLU 5 3HB GLU 5 -2.385 1.268 1.110 36 1HG GLU 5 2HG GLU 5 -4.386 -0.601 1.626 37 2HG GLU 5 3HG GLU 5 -3.461 -1.395 0.367 38 H LEU 6 HN LEU 6 -3.442 3.674 -0.800 39 HA LEU 6 HA LEU 6 -2.759 5.185 1.423 40 1HB LEU 6 2HB LEU 6 -3.196 5.707 -1.478 41 2HB LEU 6 3HB LEU 6 -3.086 7.085 -0.401 42 HG LEU 6 HG LEU 6 -0.983 4.933 -0.766 43 1HD1 LEU 6 1HD1 LEU 6 -1.157 7.799 -1.716 44 2HD1 LEU 6 2HD1 LEU 6 0.356 6.862 -1.681 45 3HD1 LEU 6 3HD1 LEU 6 -1.003 6.320 -2.694 46 1HD2 LEU 6 1HD2 LEU 6 0.402 6.647 0.594 47 2HD2 LEU 6 2HD2 LEU 6 -1.180 7.245 1.149 48 3HD2 LEU 6 3HD2 LEU 6 -0.710 5.555 1.454 49 H LYS 7 HN LYS 7 -5.826 4.899 -0.416 50 HA LYS 7 HA LYS 7 -7.072 7.064 0.921 51 1HB LYS 7 2HB LYS 7 -7.593 5.627 -1.334 52 2HB LYS 7 3HB LYS 7 -8.756 4.918 -0.233 53 1HG LYS 7 2HG LYS 7 -8.562 7.900 -0.130 54 2HG LYS 7 3HG LYS 7 -9.184 7.244 -1.632 55 1HD LYS 7 2HD LYS 7 -10.263 6.381 1.086 56 2HD LYS 7 3HD LYS 7 -10.916 7.755 0.217 57 1HE LYS 7 2HE LYS 7 -11.964 6.440 -1.358 58 2HE LYS 7 3HE LYS 7 -10.645 5.289 -1.432 59 1HZ LYS 7 1HZ LYS 7 -12.990 4.926 -0.151 60 2HZ LYS 7 2HZ LYS 7 -11.650 4.015 0.047 61 3HZ LYS 7 3HZ LYS 7 -11.960 5.244 1.076 62 H GLY 8 HN GLY 8 -7.223 3.457 1.286 63 1HA GLY 8 1HA GLY 8 -9.006 3.377 3.414 64 2HA GLY 8 2HA GLY 8 -7.781 2.179 3.047 65 H ILE 9 HN ILE 9 -5.367 3.212 3.537 66 HA ILE 9 HA ILE 9 -5.173 3.275 6.286 67 HB ILE 9 HB ILE 9 -3.378 3.899 3.997 68 1HG1 ILE 9 2HG1 ILE 9 -3.303 1.956 6.320 69 2HG1 ILE 9 3HG1 ILE 9 -3.689 1.590 4.651 70 1HG2 ILE 9 1HG2 ILE 9 -2.821 4.675 6.862 71 2HG2 ILE 9 2HG2 ILE 9 -1.529 4.345 5.683 72 3HG2 ILE 9 3HG2 ILE 9 -2.683 5.669 5.391 73 1HD1 ILE 9 1HD1 ILE 9 -1.276 2.739 4.240 74 2HD1 ILE 9 2HD1 ILE 9 -1.027 2.166 5.907 75 3HD1 ILE 9 3HD1 ILE 9 -1.451 1.009 4.621 76 H PHE 10 HN PHE 10 -5.237 5.996 3.904 77 HA PHE 10 HA PHE 10 -4.758 8.064 5.615 78 1HB PHE 10 2HB PHE 10 -4.981 8.511 3.266 79 2HB PHE 10 3HB PHE 10 -6.454 7.570 3.136 80 HD1 PHE 10 HD1 PHE 10 -5.043 10.835 3.860 81 HD2 PHE 10 HD2 PHE 10 -8.609 8.535 3.859 82 HE1 PHE 10 HE1 PHE 10 -6.402 12.941 4.006 83 HE2 PHE 10 HE2 PHE 10 -9.967 10.640 4.005 84 HZ PHE 10 HZ PHE 10 -8.847 12.818 4.077 85 H GLU 11 HN GLU 11 -8.000 6.658 4.749 86 HA GLU 11 HA GLU 11 -9.409 8.318 6.454 87 1HB GLU 11 2HB GLU 11 -9.945 6.108 4.690 88 2HB GLU 11 3HB GLU 11 -10.759 5.784 6.208 89 1HG GLU 11 2HG GLU 11 -11.347 8.460 5.875 90 2HG GLU 11 3HG GLU 11 -11.270 7.934 4.205 91 H LYS 12 HN LYS 12 -7.760 5.180 6.957 92 HA LYS 12 HA LYS 12 -8.897 4.537 9.413 93 1HB LYS 12 2HB LYS 12 -7.605 2.979 8.021 94 2HB LYS 12 3HB LYS 12 -6.142 3.897 8.317 95 1HG LYS 12 2HG LYS 12 -6.994 3.494 10.901 96 2HG LYS 12 3HG LYS 12 -7.623 2.047 10.138 97 1HD LYS 12 2HD LYS 12 -5.319 1.617 9.169 98 2HD LYS 12 3HD LYS 12 -4.721 3.000 10.063 99 1HE LYS 12 2HE LYS 12 -4.608 1.818 12.008 100 2HE LYS 12 3HE LYS 12 -6.239 1.206 11.819 101 1HZ LYS 12 1HZ LYS 12 -4.398 0.047 9.986 102 2HZ LYS 12 2HZ LYS 12 -4.000 -0.241 11.544 103 3HZ LYS 12 3HZ LYS 12 -5.469 -0.679 10.982 104 H TYR 13 HN TYR 13 -6.580 7.007 8.472 105 HA TYR 13 HA TYR 13 -5.784 7.408 11.249 106 1HB TYR 13 2HB TYR 13 -4.935 8.143 8.443 107 2HB TYR 13 3HB TYR 13 -4.614 9.370 9.652 108 HD1 TYR 13 HD1 TYR 13 -3.792 5.958 8.528 109 HD2 TYR 13 HD2 TYR 13 -2.931 9.031 11.377 110 HE1 TYR 13 HE1 TYR 13 -1.666 4.741 9.209 111 HE2 TYR 13 HE2 TYR 13 -0.808 7.803 12.048 112 HH TYR 13 HH TYR 13 0.388 5.137 10.215 113 H ALA 14 HN ALA 14 -7.357 9.150 8.487 114 HA ALA 14 HA ALA 14 -7.808 11.532 9.844 115 1HB ALA 14 1HB ALA 14 -8.058 10.807 7.322 116 2HB ALA 14 2HB ALA 14 -9.735 10.445 7.796 117 3HB ALA 14 3HB ALA 14 -9.094 12.095 7.983 118 H ALA 15 HN ALA 15 -9.240 8.361 10.189 119 HA ALA 15 HA ALA 15 -11.657 9.386 11.396 120 1HB ALA 15 1HB ALA 15 -12.355 7.130 11.422 121 2HB ALA 15 2HB ALA 15 -11.379 7.260 9.939 122 3HB ALA 15 3HB ALA 15 -10.684 6.518 11.400 123 H LYS 16 HN LYS 16 -8.391 8.490 12.296 124 HA LYS 16 HA LYS 16 -8.769 7.633 14.890 125 1HB LYS 16 2HB LYS 16 -6.626 8.161 13.227 126 2HB LYS 16 3HB LYS 16 -6.425 9.357 14.491 127 1HG LYS 16 2HG LYS 16 -6.811 7.425 16.178 128 2HG LYS 16 3HG LYS 16 -6.634 6.335 14.818 129 1HD LYS 16 2HD LYS 16 -4.363 6.807 14.542 130 2HD LYS 16 3HD LYS 16 -4.511 8.439 15.161 131 1HE LYS 16 2HE LYS 16 -3.437 7.431 16.966 132 2HE LYS 16 3HE LYS 16 -5.105 7.199 17.451 133 1HZ LYS 16 1HZ LYS 16 -4.597 5.065 17.500 134 2HZ LYS 16 2HZ LYS 16 -4.570 5.073 15.867 135 3HZ LYS 16 3HZ LYS 16 -3.183 5.263 16.707 136 H GLU 17 HN GLU 17 -7.902 11.014 13.863 137 HA GLU 17 HA GLU 17 -9.418 11.881 16.201 138 1HB GLU 17 2HB GLU 17 -6.831 12.944 15.018 139 2HB GLU 17 3HB GLU 17 -7.826 13.939 16.063 140 1HG GLU 17 2HG GLU 17 -7.658 11.476 17.430 141 2HG GLU 17 3HG GLU 17 -6.053 11.698 16.762 142 H GLY 18 HN GLY 18 -11.086 13.314 15.838 143 1HA GLY 18 1HA GLY 18 -12.455 14.739 14.762 144 2HA GLY 18 2HA GLY 18 -11.108 15.208 13.743 145 H ASP 19 HN ASP 19 -13.308 15.234 12.330 146 HA ASP 19 HA ASP 19 -14.353 12.855 11.453 147 1HB ASP 19 2HB ASP 19 -14.910 15.454 10.993 148 2HB ASP 19 3HB ASP 19 -14.008 15.148 9.522 149 HA PRO 20 HA PRO 20 -11.063 11.443 8.898 150 1HB PRO 20 2HB PRO 20 -12.347 9.429 7.569 151 2HB PRO 20 3HB PRO 20 -11.685 9.244 9.181 152 1HG PRO 20 2HG PRO 20 -14.509 9.542 8.361 153 2HG PRO 20 3HG PRO 20 -13.863 8.940 9.875 154 1HD PRO 20 2HD PRO 20 -15.006 11.529 9.404 155 2HD PRO 20 3HD PRO 20 -14.256 10.968 10.885 156 H ASN 21 HN ASN 21 -13.563 13.252 7.892 157 HA ASN 21 HA ASN 21 -13.006 12.924 5.099 158 1HB ASN 21 2HB ASN 21 -15.261 13.465 5.289 159 2HB ASN 21 3HB ASN 21 -15.028 14.351 6.784 160 1HD2 ASN 21 1HD2 ASN 21 -14.185 16.484 6.722 161 2HD2 ASN 21 2HD2 ASN 21 -14.384 17.497 5.332 162 H GLN 22 HN GLN 22 -11.704 14.582 7.789 163 HA GLN 22 HA GLN 22 -10.329 16.397 6.003 164 1HB GLN 22 2HB GLN 22 -10.552 18.195 7.859 165 2HB GLN 22 3HB GLN 22 -11.938 17.920 6.823 166 1HG GLN 22 2HG GLN 22 -12.248 16.048 8.922 167 2HG GLN 22 3HG GLN 22 -11.672 17.500 9.716 168 1HE2 GLN 22 1HE2 GLN 22 -13.818 17.419 10.681 169 2HE2 GLN 22 2HE2 GLN 22 -15.156 18.165 9.873 170 H LEU 23 HN LEU 23 -8.138 16.522 6.448 171 HA LEU 23 HA LEU 23 -7.226 14.905 8.680 172 1HB LEU 23 2HB LEU 23 -6.000 15.970 6.163 173 2HB LEU 23 3HB LEU 23 -4.970 15.475 7.491 174 HG LEU 23 HG LEU 23 -5.531 13.797 5.589 175 1HD1 LEU 23 1HD1 LEU 23 -5.907 12.744 8.391 176 2HD1 LEU 23 2HD1 LEU 23 -5.076 11.988 7.010 177 3HD1 LEU 23 3HD1 LEU 23 -4.351 13.396 7.823 178 1HD2 LEU 23 1HD2 LEU 23 -7.888 13.944 5.472 179 2HD2 LEU 23 2HD2 LEU 23 -7.526 12.360 6.198 180 3HD2 LEU 23 3HD2 LEU 23 -8.070 13.707 7.226 181 H SER 24 HN SER 24 -5.577 15.696 10.182 182 HA SER 24 HA SER 24 -5.641 18.602 10.397 183 1HB SER 24 2HB SER 24 -5.792 16.640 12.729 184 2HB SER 24 3HB SER 24 -5.799 18.387 12.854 185 HG SER 24 HG SER 24 -7.800 16.852 11.427 186 H LYS 25 HN LYS 25 -3.771 19.445 11.812 187 HA LYS 25 HA LYS 25 -1.362 18.522 10.832 188 1HB LYS 25 2HB LYS 25 -1.781 20.788 11.717 189 2HB LYS 25 3HB LYS 25 -1.895 20.141 13.341 190 1HG LYS 25 2HG LYS 25 0.521 19.070 12.469 191 2HG LYS 25 3HG LYS 25 0.509 20.630 11.669 192 1HD LYS 25 2HD LYS 25 -0.380 20.801 14.483 193 2HD LYS 25 3HD LYS 25 1.241 20.150 14.333 194 1HE LYS 25 2HE LYS 25 2.105 22.114 13.404 195 2HE LYS 25 3HE LYS 25 0.581 22.572 12.670 196 1HZ LYS 25 1HZ LYS 25 -0.026 23.642 14.501 197 2HZ LYS 25 2HZ LYS 25 0.496 22.478 15.520 198 3HZ LYS 25 3HZ LYS 25 1.546 23.586 14.940 199 H GLU 26 HN GLU 26 -2.714 18.090 14.182 200 HA GLU 26 HA GLU 26 -0.723 16.436 15.057 201 1HB GLU 26 2HB GLU 26 -3.287 17.347 15.972 202 2HB GLU 26 3HB GLU 26 -3.237 15.613 16.222 203 1HG GLU 26 2HG GLU 26 -0.701 16.378 17.068 204 2HG GLU 26 3HG GLU 26 -1.667 17.759 17.548 205 H GLU 27 HN GLU 27 -3.678 15.709 13.157 206 HA GLU 27 HA GLU 27 -3.515 12.944 13.433 207 1HB GLU 27 2HB GLU 27 -5.058 14.896 11.873 208 2HB GLU 27 3HB GLU 27 -4.728 13.448 10.943 209 1HG GLU 27 2HG GLU 27 -5.451 12.605 13.598 210 2HG GLU 27 3HG GLU 27 -6.624 13.808 13.099 211 H LEU 28 HN LEU 28 -2.561 15.104 10.659 212 HA LEU 28 HA LEU 28 -1.423 13.169 9.085 213 1HB LEU 28 2HB LEU 28 -1.917 15.662 8.670 214 2HB LEU 28 3HB LEU 28 -0.319 15.955 9.325 215 HG LEU 28 HG LEU 28 0.751 15.159 7.489 216 1HD1 LEU 28 1HD1 LEU 28 0.022 12.859 7.723 217 2HD1 LEU 28 2HD1 LEU 28 -1.553 13.253 6.994 218 3HD1 LEU 28 3HD1 LEU 28 -0.068 13.357 6.017 219 1HD2 LEU 28 1HD2 LEU 28 -0.840 16.950 6.770 220 2HD2 LEU 28 2HD2 LEU 28 -0.319 15.855 5.466 221 3HD2 LEU 28 3HD2 LEU 28 -1.935 15.672 6.189 222 H LYS 29 HN LYS 29 0.055 15.083 11.771 223 HA LYS 29 HA LYS 29 2.638 14.367 11.569 224 1HB LYS 29 2HB LYS 29 1.719 15.870 13.275 225 2HB LYS 29 3HB LYS 29 0.979 14.515 14.103 226 1HG LYS 29 2HG LYS 29 3.105 13.571 14.706 227 2HG LYS 29 3HG LYS 29 3.969 14.561 13.547 228 1HD LYS 29 2HD LYS 29 4.394 15.937 15.318 229 2HD LYS 29 3HD LYS 29 2.753 16.507 15.087 230 1HE LYS 29 2HE LYS 29 3.372 14.090 16.836 231 2HE LYS 29 3HE LYS 29 3.419 15.722 17.473 232 1HZ LYS 29 1HZ LYS 29 1.231 14.246 17.358 233 2HZ LYS 29 2HZ LYS 29 1.211 15.879 17.382 234 3HZ LYS 29 3HZ LYS 29 1.066 15.081 15.964 235 H LEU 30 HN LEU 30 0.080 12.407 13.251 236 HA LEU 30 HA LEU 30 1.698 10.268 13.882 237 1HB LEU 30 2HB LEU 30 -1.242 10.272 13.184 238 2HB LEU 30 3HB LEU 30 -0.392 8.992 14.027 239 HG LEU 30 HG LEU 30 -1.151 11.729 15.001 240 1HD1 LEU 30 1HD1 LEU 30 -1.497 8.899 15.997 241 2HD1 LEU 30 2HD1 LEU 30 -1.802 10.323 17.021 242 3HD1 LEU 30 3HD1 LEU 30 -2.746 10.080 15.531 243 1HD2 LEU 30 1HD2 LEU 30 1.276 11.524 15.407 244 2HD2 LEU 30 2HD2 LEU 30 0.325 11.542 16.911 245 3HD2 LEU 30 3HD2 LEU 30 0.983 10.008 16.292 246 H LEU 31 HN LEU 31 -0.413 10.711 10.956 247 HA LEU 31 HA LEU 31 0.229 8.375 9.690 248 1HB LEU 31 2HB LEU 31 -1.407 10.346 9.141 249 2HB LEU 31 3HB LEU 31 -0.083 10.922 8.148 250 HG LEU 31 HG LEU 31 -0.518 8.128 7.602 251 1HD1 LEU 31 1HD1 LEU 31 -2.717 7.839 7.433 252 2HD1 LEU 31 2HD1 LEU 31 -2.898 9.324 8.398 253 3HD1 LEU 31 3HD1 LEU 31 -2.940 9.407 6.620 254 1HD2 LEU 31 1HD2 LEU 31 -0.415 10.714 6.131 255 2HD2 LEU 31 2HD2 LEU 31 0.489 9.202 5.873 256 3HD2 LEU 31 3HD2 LEU 31 -1.198 9.336 5.320 257 H LEU 32 HN LEU 32 1.806 11.592 9.049 258 HA LEU 32 HA LEU 32 3.834 10.612 7.479 259 1HB LEU 32 2HB LEU 32 3.959 12.958 9.377 260 2HB LEU 32 3HB LEU 32 4.996 12.683 7.991 261 HG LEU 32 HG LEU 32 1.998 13.087 7.811 262 1HD1 LEU 32 1HD1 LEU 32 2.858 15.127 8.651 263 2HD1 LEU 32 2HD1 LEU 32 4.270 15.067 7.569 264 3HD1 LEU 32 3HD1 LEU 32 2.646 15.356 6.899 265 1HD2 LEU 32 1HD2 LEU 32 3.061 11.804 5.959 266 2HD2 LEU 32 2HD2 LEU 32 2.332 13.345 5.448 267 3HD2 LEU 32 3HD2 LEU 32 4.097 13.214 5.632 268 H GLN 33 HN GLN 33 3.273 10.186 10.889 269 HA GLN 33 HA GLN 33 5.960 9.838 11.623 270 1HB GLN 33 2HB GLN 33 3.534 10.043 12.956 271 2HB GLN 33 3HB GLN 33 3.935 8.355 13.199 272 1HG GLN 33 2HG GLN 33 5.770 8.831 14.518 273 2HG GLN 33 3HG GLN 33 6.209 10.250 13.587 274 1HE2 GLN 33 1HE2 GLN 33 3.273 9.222 15.329 275 2HE2 GLN 33 2HE2 GLN 33 3.111 10.625 16.332 276 H THR 34 HN THR 34 3.286 7.584 10.690 277 HA THR 34 HA THR 34 5.248 5.402 10.625 278 HB THR 34 HB THR 34 2.332 5.699 11.188 279 HG1 THR 34 HG1 THR 34 3.110 4.314 12.768 280 1HG2 THR 34 1HG2 THR 34 1.952 4.330 9.247 281 2HG2 THR 34 2HG2 THR 34 3.476 3.442 9.483 282 3HG2 THR 34 3HG2 THR 34 2.106 3.168 10.586 283 H GLU 35 HN GLU 35 2.602 6.878 8.633 284 HA GLU 35 HA GLU 35 2.923 5.401 6.413 285 1HB GLU 35 2HB GLU 35 1.159 7.046 6.581 286 2HB GLU 35 3HB GLU 35 2.305 8.365 6.711 287 1HG GLU 35 2HG GLU 35 2.246 8.597 4.458 288 2HG GLU 35 3HG GLU 35 2.991 7.019 4.301 289 H PHE 36 HN PHE 36 4.672 8.508 7.147 290 HA PHE 36 HA PHE 36 6.980 7.465 5.758 291 1HB PHE 36 2HB PHE 36 5.387 9.981 4.986 292 2HB PHE 36 3HB PHE 36 7.016 9.686 4.409 293 HD1 PHE 36 HD1 PHE 36 3.730 9.517 3.468 294 HD2 PHE 36 HD2 PHE 36 7.238 7.129 3.419 295 HE1 PHE 36 HE1 PHE 36 2.809 8.203 1.538 296 HE2 PHE 36 HE2 PHE 36 6.317 5.815 1.489 297 HZ PHE 36 HZ PHE 36 4.114 6.368 0.571 298 HA PRO 37 HA PRO 37 8.086 9.944 9.321 299 1HB PRO 37 2HB PRO 37 10.050 8.293 10.261 300 2HB PRO 37 3HB PRO 37 8.379 8.188 10.781 301 1HG PRO 37 2HG PRO 37 9.863 6.412 8.941 302 2HG PRO 37 3HG PRO 37 8.364 6.103 9.795 303 1HD PRO 37 2HD PRO 37 8.653 6.754 7.016 304 2HD PRO 37 3HD PRO 37 7.150 6.559 7.896 305 H SER 38 HN SER 38 9.656 8.932 6.534 306 HA SER 38 HA SER 38 12.113 10.192 7.096 307 1HB SER 38 2HB SER 38 10.942 8.613 4.976 308 2HB SER 38 3HB SER 38 11.665 10.042 4.263 309 HG SER 38 HG SER 38 12.886 7.821 5.412 310 H LEU 39 HN LEU 39 9.007 11.129 5.575 311 HA LEU 39 HA LEU 39 9.952 13.551 4.474 312 1HB LEU 39 2HB LEU 39 7.555 12.029 4.537 313 2HB LEU 39 3HB LEU 39 7.160 13.648 5.078 314 HG LEU 39 HG LEU 39 6.978 13.086 2.568 315 1HD1 LEU 39 1HD1 LEU 39 8.439 15.493 2.359 316 2HD1 LEU 39 2HD1 LEU 39 6.680 15.282 2.535 317 3HD1 LEU 39 3HD1 LEU 39 7.702 15.482 3.979 318 1HD2 LEU 39 1HD2 LEU 39 8.867 13.059 1.220 319 2HD2 LEU 39 2HD2 LEU 39 9.905 13.773 2.478 320 3HD2 LEU 39 3HD2 LEU 39 9.366 12.083 2.622 321 H LEU 40 HN LEU 40 9.231 12.487 7.705 322 HA LEU 40 HA LEU 40 8.530 15.060 8.714 323 1HB LEU 40 2HB LEU 40 9.314 12.452 10.012 324 2HB LEU 40 3HB LEU 40 8.927 13.898 10.924 325 HG LEU 40 HG LEU 40 7.035 12.541 8.985 326 1HD1 LEU 40 1HD1 LEU 40 7.136 12.379 12.010 327 2HD1 LEU 40 2HD1 LEU 40 5.851 11.715 10.971 328 3HD1 LEU 40 3HD1 LEU 40 7.506 11.068 10.864 329 1HD2 LEU 40 1HD2 LEU 40 5.959 14.492 9.078 330 2HD2 LEU 40 2HD2 LEU 40 5.547 14.055 10.753 331 3HD2 LEU 40 3HD2 LEU 40 6.962 15.083 10.424 332 H LYS 41 HN LYS 41 11.511 13.226 8.117 333 HA LYS 41 HA LYS 41 13.145 14.827 9.786 334 1HB LYS 41 2HB LYS 41 14.893 13.520 9.034 335 2HB LYS 41 3HB LYS 41 13.529 12.439 8.835 336 1HG LYS 41 2HG LYS 41 14.188 12.212 6.670 337 2HG LYS 41 3HG LYS 41 13.551 13.823 6.410 338 1HD LYS 41 2HD LYS 41 16.169 14.093 7.597 339 2HD LYS 41 3HD LYS 41 16.296 12.946 6.279 340 1HE LYS 41 2HE LYS 41 14.828 14.763 4.971 341 2HE LYS 41 3HE LYS 41 15.461 15.851 6.190 342 1HZ LYS 41 1HZ LYS 41 17.321 15.910 5.045 343 2HZ LYS 41 2HZ LYS 41 17.566 14.313 5.285 344 3HZ LYS 41 3HZ LYS 41 16.764 14.826 3.958 345 H GLY 42 HN GLY 42 11.824 15.120 6.518 346 1HA GLY 42 1HA GLY 42 13.500 16.753 5.189 347 2HA GLY 42 2HA GLY 42 11.758 16.943 5.179 348 H MET 43 HN MET 43 13.390 19.186 4.844 349 HA MET 43 HA MET 43 13.876 20.428 7.336 350 1HB MET 43 2HB MET 43 13.677 21.540 4.481 351 2HB MET 43 3HB MET 43 14.307 22.444 5.844 352 1HG MET 43 2HG MET 43 15.818 20.140 6.023 353 2HG MET 43 3HG MET 43 15.573 20.231 4.290 354 1HE MET 43 1HE MET 43 19.068 21.346 5.149 355 2HE MET 43 2HE MET 43 17.956 20.089 4.556 356 3HE MET 43 3HE MET 43 18.431 21.433 3.490 357 H SER 44 HN SER 44 11.009 19.666 5.806 358 HA SER 44 HA SER 44 9.724 22.170 6.461 359 1HB SER 44 2HB SER 44 8.713 19.644 5.085 360 2HB SER 44 3HB SER 44 7.698 21.033 5.419 361 HG SER 44 HG SER 44 9.710 22.159 4.224 362 H THR 45 HN THR 45 9.469 22.286 8.702 363 HA THR 45 HA THR 45 9.012 20.073 10.352 364 HB THR 45 HB THR 45 8.543 21.833 12.036 365 HG1 THR 45 HG1 THR 45 8.689 23.677 9.787 366 1HG2 THR 45 1HG2 THR 45 10.804 22.218 11.909 367 2HG2 THR 45 2HG2 THR 45 10.803 22.050 10.137 368 3HG2 THR 45 3HG2 THR 45 10.383 23.610 10.883 369 H LEU 46 HN LEU 46 6.986 19.947 11.838 370 HA LEU 46 HA LEU 46 4.913 18.992 10.332 371 1HB LEU 46 2HB LEU 46 5.569 18.911 12.910 372 2HB LEU 46 3HB LEU 46 4.328 20.144 13.014 373 HG LEU 46 HG LEU 46 3.072 18.281 13.406 374 1HD1 LEU 46 1HD1 LEU 46 2.174 19.448 11.413 375 2HD1 LEU 46 2HD1 LEU 46 3.034 18.285 10.376 376 3HD1 LEU 46 3HD1 LEU 46 1.747 17.721 11.468 377 1HD2 LEU 46 1HD2 LEU 46 3.509 16.121 11.945 378 2HD2 LEU 46 2HD2 LEU 46 5.122 16.853 11.768 379 3HD2 LEU 46 3HD2 LEU 46 4.484 16.485 13.389 380 H ASP 47 HN ASP 47 4.916 22.143 12.153 381 HA ASP 47 HA ASP 47 2.585 23.097 11.252 382 1HB ASP 47 2HB ASP 47 4.974 24.152 12.445 383 2HB ASP 47 3HB ASP 47 4.544 25.242 11.142 384 H GLU 48 HN GLU 48 5.859 23.386 9.694 385 HA GLU 48 HA GLU 48 5.125 24.934 7.567 386 1HB GLU 48 2HB GLU 48 7.387 23.281 8.347 387 2HB GLU 48 3HB GLU 48 7.095 23.102 6.628 388 1HG GLU 48 2HG GLU 48 6.841 25.788 6.768 389 2HG GLU 48 3HG GLU 48 7.853 25.569 8.182 390 H LEU 49 HN LEU 49 5.117 21.327 7.895 391 HA LEU 49 HA LEU 49 4.274 20.827 5.272 392 1HB LEU 49 2HB LEU 49 5.129 19.356 7.422 393 2HB LEU 49 3HB LEU 49 3.435 18.915 7.336 394 HG LEU 49 HG LEU 49 4.524 18.822 4.684 395 1HD1 LEU 49 1HD1 LEU 49 6.721 18.543 5.461 396 2HD1 LEU 49 2HD1 LEU 49 6.209 17.499 6.809 397 3HD1 LEU 49 3HD1 LEU 49 6.138 16.893 5.137 398 1HD2 LEU 49 1HD2 LEU 49 2.808 17.341 6.382 399 2HD2 LEU 49 2HD2 LEU 49 3.073 17.148 4.633 400 3HD2 LEU 49 3HD2 LEU 49 4.056 16.219 5.790 401 H PHE 50 HN PHE 50 2.502 21.395 8.359 402 HA PHE 50 HA PHE 50 -0.029 20.781 7.435 403 1HB PHE 50 2HB PHE 50 0.804 21.300 9.810 404 2HB PHE 50 3HB PHE 50 0.910 22.991 9.361 405 HD1 PHE 50 HD1 PHE 50 -0.725 24.160 10.489 406 HD2 PHE 50 HD2 PHE 50 -1.731 20.414 8.766 407 HE1 PHE 50 HE1 PHE 50 -3.119 24.490 11.168 408 HE2 PHE 50 HE2 PHE 50 -4.124 20.744 9.445 409 HZ PHE 50 HZ PHE 50 -4.790 22.778 10.639 410 H GLU 51 HN GLU 51 1.700 23.976 7.497 411 HA GLU 51 HA GLU 51 -0.430 25.330 6.298 412 1HB GLU 51 2HB GLU 51 2.027 26.002 7.475 413 2HB GLU 51 3HB GLU 51 2.224 26.508 5.809 414 1HG GLU 51 2HG GLU 51 -0.395 27.338 6.489 415 2HG GLU 51 3HG GLU 51 0.556 27.683 7.920 416 H GLU 52 HN GLU 52 2.501 23.674 5.042 417 HA GLU 52 HA GLU 52 2.291 24.636 2.446 418 1HB GLU 52 2HB GLU 52 4.241 23.383 3.628 419 2HB GLU 52 3HB GLU 52 3.405 21.907 3.187 420 1HG GLU 52 2HG GLU 52 3.618 22.343 0.840 421 2HG GLU 52 3HG GLU 52 3.995 24.035 1.098 422 H LEU 53 HN LEU 53 1.225 21.472 3.894 423 HA LEU 53 HA LEU 53 0.041 20.456 1.620 424 1HB LEU 53 2HB LEU 53 -0.791 20.045 4.495 425 2HB LEU 53 3HB LEU 53 -1.194 19.007 3.142 426 HG LEU 53 HG LEU 53 1.702 19.505 3.686 427 1HD1 LEU 53 1HD1 LEU 53 -0.118 18.450 5.682 428 2HD1 LEU 53 2HD1 LEU 53 1.099 17.242 5.205 429 3HD1 LEU 53 3HD1 LEU 53 1.615 18.837 5.803 430 1HD2 LEU 53 1HD2 LEU 53 0.836 16.768 3.236 431 2HD2 LEU 53 2HD2 LEU 53 0.244 17.869 1.970 432 3HD2 LEU 53 3HD2 LEU 53 1.986 17.773 2.322 433 H ASP 54 HN ASP 54 -1.447 22.416 4.288 434 HA ASP 54 HA ASP 54 -3.936 22.505 3.027 435 1HB ASP 54 2HB ASP 54 -3.662 22.917 5.437 436 2HB ASP 54 3HB ASP 54 -2.636 24.304 5.123 437 H LYS 55 HN LYS 55 -4.149 23.491 0.998 438 HA LYS 55 HA LYS 55 -2.782 26.070 0.652 439 1HB LYS 55 2HB LYS 55 -2.767 23.671 -0.972 440 2HB LYS 55 3HB LYS 55 -3.422 25.016 -1.883 441 1HG LYS 55 2HG LYS 55 -1.342 26.325 -0.787 442 2HG LYS 55 3HG LYS 55 -0.682 24.707 -0.657 443 1HD LYS 55 2HD LYS 55 -0.506 24.430 -2.958 444 2HD LYS 55 3HD LYS 55 -1.912 25.421 -3.298 445 1HE LYS 55 2HE LYS 55 -0.573 27.471 -2.648 446 2HE LYS 55 3HE LYS 55 0.834 26.448 -2.433 447 1HZ LYS 55 1HZ LYS 55 0.309 25.712 -4.806 448 2HZ LYS 55 2HZ LYS 55 -0.584 27.076 -4.901 449 3HZ LYS 55 3HZ LYS 55 1.016 27.167 -4.583 450 H ASN 56 HN ASN 56 -5.729 24.528 1.216 451 HA ASN 56 HA ASN 56 -7.263 26.213 -0.508 452 1HB ASN 56 2HB ASN 56 -8.227 24.444 1.798 453 2HB ASN 56 3HB ASN 56 -9.207 25.063 0.483 454 1HD2 ASN 56 1HD2 ASN 56 -8.975 24.249 -1.603 455 2HD2 ASN 56 2HD2 ASN 56 -8.236 22.718 -1.936 456 H GLY 57 HN GLY 57 -6.214 25.954 2.907 457 1HA GLY 57 1HA GLY 57 -6.148 27.539 4.523 458 2HA GLY 57 2HA GLY 57 -6.854 28.700 3.417 459 H ASP 58 HN ASP 58 -7.729 25.717 5.297 460 HA ASP 58 HA ASP 58 -10.155 27.097 6.060 461 1HB ASP 58 2HB ASP 58 -10.418 24.169 5.474 462 2HB ASP 58 3HB ASP 58 -11.612 25.442 5.319 463 H GLY 59 HN GLY 59 -8.700 23.752 6.269 464 1HA GLY 59 1HA GLY 59 -7.441 23.617 8.561 465 2HA GLY 59 2HA GLY 59 -9.073 23.793 9.174 466 H GLU 60 HN GLU 60 -7.888 22.051 6.223 467 HA GLU 60 HA GLU 60 -8.250 19.534 7.481 468 1HB GLU 60 2HB GLU 60 -10.055 18.732 5.961 469 2HB GLU 60 3HB GLU 60 -10.605 20.014 7.022 470 1HG GLU 60 2HG GLU 60 -9.692 21.473 4.853 471 2HG GLU 60 3HG GLU 60 -10.271 20.019 4.063 472 H VAL 61 HN VAL 61 -6.592 18.335 6.666 473 HA VAL 61 HA VAL 61 -5.508 19.111 4.083 474 HB VAL 61 HB VAL 61 -4.543 17.360 6.343 475 1HG1 VAL 61 1HG1 VAL 61 -3.311 16.232 4.853 476 2HG1 VAL 61 2HG1 VAL 61 -3.753 17.341 3.533 477 3HG1 VAL 61 3HG1 VAL 61 -2.394 17.739 4.612 478 1HG2 VAL 61 1HG2 VAL 61 -4.493 19.985 6.346 479 2HG2 VAL 61 2HG2 VAL 61 -3.067 19.062 6.879 480 3HG2 VAL 61 3HG2 VAL 61 -3.112 19.765 5.244 481 H SER 62 HN SER 62 -7.982 18.102 3.641 482 HA SER 62 HA SER 62 -8.443 15.484 3.581 483 1HB SER 62 2HB SER 62 -9.186 16.538 0.987 484 2HB SER 62 3HB SER 62 -10.214 16.168 2.357 485 HG SER 62 HG SER 62 -8.798 18.639 1.844 486 H PHE 63 HN PHE 63 -8.387 13.923 1.600 487 HA PHE 63 HA PHE 63 -5.827 13.237 1.017 488 1HB PHE 63 2HB PHE 63 -8.075 11.997 0.666 489 2HB PHE 63 3HB PHE 63 -8.301 12.948 -0.788 490 HD1 PHE 63 HD1 PHE 63 -5.351 11.126 0.611 491 HD2 PHE 63 HD2 PHE 63 -8.034 11.611 -2.641 492 HE1 PHE 63 HE1 PHE 63 -4.064 9.420 -0.706 493 HE2 PHE 63 HE2 PHE 63 -6.747 9.905 -3.957 494 HZ PHE 63 HZ PHE 63 -4.777 8.830 -2.974 495 H GLU 64 HN GLU 64 -7.916 15.613 -0.638 496 HA GLU 64 HA GLU 64 -6.670 15.800 -3.029 497 1HB GLU 64 2HB GLU 64 -7.280 18.378 -2.710 498 2HB GLU 64 3HB GLU 64 -8.533 17.166 -2.891 499 1HG GLU 64 2HG GLU 64 -9.302 17.491 -0.770 500 2HG GLU 64 3HG GLU 64 -7.691 17.412 -0.086 501 H GLU 65 HN GLU 65 -5.845 17.674 -0.019 502 HA GLU 65 HA GLU 65 -3.606 18.865 -1.174 503 1HB GLU 65 2HB GLU 65 -4.255 18.375 1.766 504 2HB GLU 65 3HB GLU 65 -3.031 19.483 1.180 505 1HG GLU 65 2HG GLU 65 -4.572 21.093 0.717 506 2HG GLU 65 3HG GLU 65 -5.592 19.970 -0.160 507 H PHE 66 HN PHE 66 -4.177 15.741 0.403 508 HA PHE 66 HA PHE 66 -1.584 15.125 1.155 509 1HB PHE 66 2HB PHE 66 -3.990 13.963 1.401 510 2HB PHE 66 3HB PHE 66 -3.568 13.166 -0.101 511 HD1 PHE 66 HD1 PHE 66 -3.065 10.962 0.350 512 HD2 PHE 66 HD2 PHE 66 -1.556 13.960 2.946 513 HE1 PHE 66 HE1 PHE 66 -1.800 9.215 1.633 514 HE2 PHE 66 HE2 PHE 66 -0.291 12.213 4.229 515 HZ PHE 66 HZ PHE 66 -0.428 9.861 3.557 516 H GLN 67 HN GLN 67 -3.248 14.901 -2.021 517 HA GLN 67 HA GLN 67 -1.362 13.317 -3.266 518 1HB GLN 67 2HB GLN 67 -2.935 15.515 -4.655 519 2HB GLN 67 3HB GLN 67 -2.409 13.984 -5.324 520 1HG GLN 67 2HG GLN 67 -3.883 12.937 -3.378 521 2HG GLN 67 3HG GLN 67 -4.643 14.516 -3.348 522 1HE2 GLN 67 1HE2 GLN 67 -3.515 12.086 -5.699 523 2HE2 GLN 67 2HE2 GLN 67 -4.878 12.161 -6.764 524 H VAL 68 HN VAL 68 -1.109 16.525 -2.045 525 HA VAL 68 HA VAL 68 0.776 17.465 -3.988 526 HB VAL 68 HB VAL 68 0.110 18.511 -1.230 527 1HG1 VAL 68 1HG1 VAL 68 1.955 19.745 -1.765 528 2HG1 VAL 68 2HG1 VAL 68 1.739 19.519 -3.517 529 3HG1 VAL 68 3HG1 VAL 68 0.737 20.701 -2.642 530 1HG2 VAL 68 1HG2 VAL 68 -1.800 18.185 -3.011 531 2HG2 VAL 68 2HG2 VAL 68 -1.682 19.697 -2.079 532 3HG2 VAL 68 3HG2 VAL 68 -1.076 19.633 -3.751 533 H LEU 69 HN LEU 69 0.827 15.913 -0.750 534 HA LEU 69 HA LEU 69 3.650 16.212 -0.478 535 1HB LEU 69 2HB LEU 69 1.822 15.988 1.328 536 2HB LEU 69 3HB LEU 69 1.919 14.265 1.021 537 HG LEU 69 HG LEU 69 4.305 14.275 1.623 538 1HD1 LEU 69 1HD1 LEU 69 5.190 16.338 1.091 539 2HD1 LEU 69 2HD1 LEU 69 3.848 17.233 1.844 540 3HD1 LEU 69 3HD1 LEU 69 5.071 16.439 2.865 541 1HD2 LEU 69 1HD2 LEU 69 3.161 13.657 3.483 542 2HD2 LEU 69 2HD2 LEU 69 3.851 15.178 4.097 543 3HD2 LEU 69 3HD2 LEU 69 2.172 15.137 3.509 544 H VAL 70 HN VAL 70 1.420 13.878 -1.939 545 HA VAL 70 HA VAL 70 2.990 11.627 -1.983 546 HB VAL 70 HB VAL 70 0.869 12.795 -3.730 547 1HG1 VAL 70 1HG1 VAL 70 1.014 10.441 -4.932 548 2HG1 VAL 70 2HG1 VAL 70 1.962 11.832 -5.511 549 3HG1 VAL 70 3HG1 VAL 70 2.737 10.584 -4.507 550 1HG2 VAL 70 1HG2 VAL 70 0.863 11.223 -1.468 551 2HG2 VAL 70 2HG2 VAL 70 -0.487 11.390 -2.616 552 3HG2 VAL 70 3HG2 VAL 70 0.646 10.026 -2.768 553 H LYS 71 HN LYS 71 3.475 14.720 -3.545 554 HA LYS 71 HA LYS 71 5.088 13.773 -5.671 555 1HB LYS 71 2HB LYS 71 3.872 16.154 -5.013 556 2HB LYS 71 3HB LYS 71 5.560 16.518 -4.713 557 1HG LYS 71 2HG LYS 71 5.826 15.210 -7.088 558 2HG LYS 71 3HG LYS 71 4.194 15.815 -7.293 559 1HD LYS 71 2HD LYS 71 6.333 17.710 -6.299 560 2HD LYS 71 3HD LYS 71 6.301 17.295 -8.001 561 1HE LYS 71 2HE LYS 71 3.655 18.033 -6.813 562 2HE LYS 71 3HE LYS 71 4.828 19.332 -6.899 563 1HZ LYS 71 1HZ LYS 71 3.670 17.789 -9.077 564 2HZ LYS 71 2HZ LYS 71 3.841 19.407 -8.937 565 3HZ LYS 71 3HZ LYS 71 5.136 18.476 -9.285 566 H LYS 72 HN LYS 72 5.772 15.131 -2.384 567 HA LYS 72 HA LYS 72 8.574 14.858 -2.685 568 1HB LYS 72 2HB LYS 72 6.837 15.225 -0.226 569 2HB LYS 72 3HB LYS 72 8.586 15.316 -0.234 570 1HG LYS 72 2HG LYS 72 8.050 17.570 -0.514 571 2HG LYS 72 3HG LYS 72 8.216 17.078 -2.187 572 1HD LYS 72 2HD LYS 72 5.890 17.068 -2.567 573 2HD LYS 72 3HD LYS 72 5.506 16.814 -0.876 574 1HE LYS 72 2HE LYS 72 6.763 19.392 -1.922 575 2HE LYS 72 3HE LYS 72 5.031 19.168 -1.775 576 1HZ LYS 72 1HZ LYS 72 6.488 18.464 0.577 577 2HZ LYS 72 2HZ LYS 72 6.619 20.042 0.176 578 3HZ LYS 72 3HZ LYS 72 5.146 19.381 0.418 579 H ILE 73 HN ILE 73 5.919 12.739 -1.648 580 HA ILE 73 HA ILE 73 7.650 10.829 -0.426 581 HB ILE 73 HB ILE 73 4.748 10.879 -1.212 582 1HG1 ILE 73 2HG1 ILE 73 5.763 10.431 1.563 583 2HG1 ILE 73 3HG1 ILE 73 5.921 12.040 0.887 584 1HG2 ILE 73 1HG2 ILE 73 6.224 8.565 0.073 585 2HG2 ILE 73 2HG2 ILE 73 4.467 8.690 -0.181 586 3HG2 ILE 73 3HG2 ILE 73 5.564 8.595 -1.580 587 1HD1 ILE 73 1HD1 ILE 73 3.621 10.975 2.072 588 2HD1 ILE 73 2HD1 ILE 73 3.692 12.446 1.071 589 3HD1 ILE 73 3HD1 ILE 73 3.273 10.883 0.328 590 H SER 74 HN SER 74 7.062 11.784 -3.641 591 HA SER 74 HA SER 74 7.404 9.128 -4.692 592 1HB SER 74 2HB SER 74 5.896 11.024 -5.671 593 2HB SER 74 3HB SER 74 7.384 11.703 -6.302 594 HG SER 74 HG SER 74 6.489 10.352 -7.902 595 H GLN 75 HN GLN 75 9.133 12.299 -4.507 596 HA GLN 75 HA GLN 75 11.351 11.387 -5.964 597 1HB GLN 75 2HB GLN 75 10.422 13.843 -4.996 598 2HB GLN 75 3HB GLN 75 11.881 13.579 -4.063 599 1HG GLN 75 2HG GLN 75 12.792 14.599 -5.949 600 2HG GLN 75 3HG GLN 75 12.926 12.916 -6.422 601 1HE2 GLN 75 1HE2 GLN 75 10.302 15.329 -6.306 602 2HE2 GLN 75 2HE2 GLN 75 9.758 15.139 -7.940 Start of MODEL 29 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.915 -0.681 -1.121 3 1HB LYS 1 2HB LYS 1 0.160 -0.382 -2.165 4 2HB LYS 1 3HB LYS 1 1.435 -0.005 -3.306 5 1HG LYS 1 2HG LYS 1 1.311 -2.297 -3.644 6 2HG LYS 1 3HG LYS 1 2.508 -2.273 -2.364 7 1HD LYS 1 2HD LYS 1 0.933 -2.916 -0.699 8 2HD LYS 1 3HD LYS 1 -0.441 -2.418 -1.665 9 1HE LYS 1 2HE LYS 1 -0.004 -4.279 -3.270 10 2HE LYS 1 3HE LYS 1 1.397 -4.767 -2.338 11 1HZ LYS 1 1HZ LYS 1 -1.019 -5.731 -1.943 12 2HZ LYS 1 2HZ LYS 1 0.112 -5.666 -0.766 13 3HZ LYS 1 3HZ LYS 1 -1.048 -4.520 -0.848 14 H SER 2 HN SER 2 3.833 0.701 -3.013 15 HA SER 2 HA SER 2 4.288 3.273 -1.889 16 1HB SER 2 2HB SER 2 5.547 1.512 -3.866 17 2HB SER 2 3HB SER 2 5.501 3.167 -4.438 18 HG SER 2 HG SER 2 7.422 2.811 -3.216 19 HA PRO 3 HA PRO 3 1.662 5.550 -4.509 20 1HB PRO 3 2HB PRO 3 3.038 7.863 -4.982 21 2HB PRO 3 3HB PRO 3 2.179 7.548 -3.487 22 1HG PRO 3 2HG PRO 3 5.090 7.490 -4.000 23 2HG PRO 3 3HG PRO 3 4.247 7.601 -2.467 24 1HD PRO 3 2HD PRO 3 5.515 5.274 -3.565 25 2HD PRO 3 3HD PRO 3 4.573 5.357 -2.089 26 H GLU 4 HN GLU 4 4.921 5.283 -5.741 27 HA GLU 4 HA GLU 4 4.268 6.003 -8.338 28 1HB GLU 4 2HB GLU 4 6.579 5.307 -6.942 29 2HB GLU 4 3HB GLU 4 6.421 3.992 -8.090 30 1HG GLU 4 2HG GLU 4 5.999 6.783 -9.136 31 2HG GLU 4 3HG GLU 4 7.639 6.326 -8.720 32 H GLU 5 HN GLU 5 3.689 3.084 -6.482 33 HA GLU 5 HA GLU 5 3.540 1.325 -8.659 34 1HB GLU 5 2HB GLU 5 3.095 1.259 -5.773 35 2HB GLU 5 3HB GLU 5 1.842 0.357 -6.603 36 1HG GLU 5 2HG GLU 5 4.109 -0.466 -7.975 37 2HG GLU 5 3HG GLU 5 4.749 -0.229 -6.361 38 H LEU 6 HN LEU 6 1.252 3.558 -7.067 39 HA LEU 6 HA LEU 6 -1.114 2.536 -8.090 40 1HB LEU 6 2HB LEU 6 -0.158 5.061 -6.916 41 2HB LEU 6 3HB LEU 6 -1.554 5.226 -7.962 42 HG LEU 6 HG LEU 6 -1.374 3.362 -5.579 43 1HD1 LEU 6 1HD1 LEU 6 -1.385 5.883 -5.135 44 2HD1 LEU 6 2HD1 LEU 6 -3.052 5.861 -5.758 45 3HD1 LEU 6 3HD1 LEU 6 -2.624 4.896 -4.325 46 1HD2 LEU 6 1HD2 LEU 6 -2.914 2.348 -6.990 47 2HD2 LEU 6 2HD2 LEU 6 -3.936 3.370 -5.951 48 3HD2 LEU 6 3HD2 LEU 6 -3.534 3.900 -7.602 49 H LYS 7 HN LYS 7 1.234 4.910 -9.476 50 HA LYS 7 HA LYS 7 -0.248 5.486 -11.760 51 1HB LYS 7 2HB LYS 7 1.987 6.480 -10.670 52 2HB LYS 7 3HB LYS 7 2.735 5.463 -11.885 53 1HG LYS 7 2HG LYS 7 0.449 6.929 -13.002 54 2HG LYS 7 3HG LYS 7 1.608 8.028 -12.281 55 1HD LYS 7 2HD LYS 7 3.288 6.292 -13.634 56 2HD LYS 7 3HD LYS 7 1.887 6.294 -14.686 57 1HE LYS 7 2HE LYS 7 2.160 9.001 -14.089 58 2HE LYS 7 3HE LYS 7 3.830 8.470 -14.128 59 1HZ LYS 7 1HZ LYS 7 2.811 9.154 -16.291 60 2HZ LYS 7 2HZ LYS 7 3.577 7.711 -16.299 61 3HZ LYS 7 3HZ LYS 7 1.946 7.770 -16.258 62 H GLY 8 HN GLY 8 2.386 3.048 -11.215 63 1HA GLY 8 1HA GLY 8 2.398 1.947 -13.762 64 2HA GLY 8 2HA GLY 8 2.858 1.129 -12.282 65 H ILE 9 HN ILE 9 0.594 0.822 -10.803 66 HA ILE 9 HA ILE 9 -0.699 -1.286 -12.016 67 HB ILE 9 HB ILE 9 -0.815 0.184 -9.546 68 1HG1 ILE 9 2HG1 ILE 9 -1.748 -2.623 -10.206 69 2HG1 ILE 9 3HG1 ILE 9 -0.070 -2.184 -9.951 70 1HG2 ILE 9 1HG2 ILE 9 -3.025 0.907 -10.293 71 2HG2 ILE 9 2HG2 ILE 9 -3.485 -0.785 -10.605 72 3HG2 ILE 9 3HG2 ILE 9 -3.146 -0.246 -8.942 73 1HD1 ILE 9 1HD1 ILE 9 -1.921 -2.904 -7.964 74 2HD1 ILE 9 2HD1 ILE 9 -0.324 -2.165 -7.696 75 3HD1 ILE 9 3HD1 ILE 9 -1.773 -1.138 -7.802 76 H PHE 10 HN PHE 10 -1.743 2.166 -11.675 77 HA PHE 10 HA PHE 10 -4.217 1.952 -12.806 78 1HB PHE 10 2HB PHE 10 -3.558 4.070 -11.913 79 2HB PHE 10 3HB PHE 10 -1.981 4.003 -12.673 80 HD1 PHE 10 HD1 PHE 10 -1.712 4.633 -15.036 81 HD2 PHE 10 HD2 PHE 10 -5.460 4.981 -13.076 82 HE1 PHE 10 HE1 PHE 10 -2.533 6.133 -16.873 83 HE2 PHE 10 HE2 PHE 10 -6.281 6.481 -14.913 84 HZ PHE 10 HZ PHE 10 -4.808 7.040 -16.790 85 H GLU 11 HN GLU 11 -1.093 2.688 -14.520 86 HA GLU 11 HA GLU 11 -2.248 2.743 -17.034 87 1HB GLU 11 2HB GLU 11 0.422 2.850 -15.872 88 2HB GLU 11 3HB GLU 11 0.445 1.877 -17.329 89 1HG GLU 11 2HG GLU 11 -0.980 3.849 -18.370 90 2HG GLU 11 3HG GLU 11 -0.376 4.780 -17.013 91 H LYS 12 HN LYS 12 -0.954 0.077 -15.028 92 HA LYS 12 HA LYS 12 -0.737 -1.867 -16.981 93 1HB LYS 12 2HB LYS 12 0.067 -1.960 -14.597 94 2HB LYS 12 3HB LYS 12 -1.582 -2.278 -14.100 95 1HG LYS 12 2HG LYS 12 -0.889 -4.047 -16.304 96 2HG LYS 12 3HG LYS 12 0.347 -4.157 -15.067 97 1HD LYS 12 2HD LYS 12 -1.964 -4.172 -13.533 98 2HD LYS 12 3HD LYS 12 -2.502 -5.010 -14.976 99 1HE LYS 12 2HE LYS 12 0.083 -5.755 -13.540 100 2HE LYS 12 3HE LYS 12 -1.460 -6.463 -13.105 101 1HZ LYS 12 1HZ LYS 12 -1.206 -6.598 -15.860 102 2HZ LYS 12 2HZ LYS 12 0.193 -7.147 -15.221 103 3HZ LYS 12 3HZ LYS 12 -1.226 -7.832 -14.791 104 H TYR 13 HN TYR 13 -3.573 -0.398 -15.461 105 HA TYR 13 HA TYR 13 -5.298 -2.464 -16.585 106 1HB TYR 13 2HB TYR 13 -5.397 -0.153 -14.611 107 2HB TYR 13 3HB TYR 13 -6.909 -0.592 -15.380 108 HD1 TYR 13 HD1 TYR 13 -8.199 -2.374 -14.545 109 HD2 TYR 13 HD2 TYR 13 -4.100 -2.023 -13.373 110 HE1 TYR 13 HE1 TYR 13 -8.521 -4.229 -12.836 111 HE2 TYR 13 HE2 TYR 13 -4.435 -3.879 -11.669 112 HH TYR 13 HH TYR 13 -6.950 -4.726 -10.401 113 H ALA 14 HN ALA 14 -4.599 1.074 -16.802 114 HA ALA 14 HA ALA 14 -6.632 1.684 -18.607 115 1HB ALA 14 1HB ALA 14 -5.545 3.759 -18.796 116 2HB ALA 14 2HB ALA 14 -5.034 3.184 -17.191 117 3HB ALA 14 3HB ALA 14 -3.930 3.043 -18.580 118 H ALA 15 HN ALA 15 -3.638 -0.096 -18.961 119 HA ALA 15 HA ALA 15 -3.482 0.344 -21.804 120 1HB ALA 15 1HB ALA 15 -1.907 -1.034 -19.673 121 2HB ALA 15 2HB ALA 15 -1.767 -1.687 -21.323 122 3HB ALA 15 3HB ALA 15 -1.359 0.016 -21.001 123 H LYS 16 HN LYS 16 -5.087 -1.798 -19.541 124 HA LYS 16 HA LYS 16 -5.302 -4.099 -21.045 125 1HB LYS 16 2HB LYS 16 -6.243 -3.176 -18.616 126 2HB LYS 16 3HB LYS 16 -7.720 -3.378 -19.538 127 1HG LYS 16 2HG LYS 16 -6.796 -5.709 -20.216 128 2HG LYS 16 3HG LYS 16 -5.586 -5.477 -18.970 129 1HD LYS 16 2HD LYS 16 -7.139 -5.614 -17.227 130 2HD LYS 16 3HD LYS 16 -8.456 -4.993 -18.202 131 1HE LYS 16 2HE LYS 16 -7.506 -7.510 -19.330 132 2HE LYS 16 3HE LYS 16 -7.862 -7.725 -17.627 133 1HZ LYS 16 1HZ LYS 16 -10.010 -7.529 -18.034 134 2HZ LYS 16 2HZ LYS 16 -9.839 -6.180 -18.938 135 3HZ LYS 16 3HZ LYS 16 -9.673 -7.650 -19.628 136 H GLU 17 HN GLU 17 -7.786 -1.449 -20.818 137 HA GLU 17 HA GLU 17 -8.442 -2.122 -23.581 138 1HB GLU 17 2HB GLU 17 -10.276 -1.420 -21.260 139 2HB GLU 17 3HB GLU 17 -10.806 -1.281 -22.925 140 1HG GLU 17 2HG GLU 17 -9.609 -3.828 -22.821 141 2HG GLU 17 3HG GLU 17 -10.435 -3.697 -21.281 142 H GLY 18 HN GLY 18 -8.394 -0.434 -25.037 143 1HA GLY 18 1HA GLY 18 -8.269 1.666 -25.840 144 2HA GLY 18 2HA GLY 18 -8.953 2.252 -24.337 145 H ASP 19 HN ASP 19 -7.182 3.968 -25.214 146 HA ASP 19 HA ASP 19 -4.524 3.463 -24.922 147 1HB ASP 19 2HB ASP 19 -5.915 5.612 -25.666 148 2HB ASP 19 3HB ASP 19 -5.707 6.092 -23.994 149 HA PRO 20 HA PRO 20 -4.105 3.150 -20.561 150 1HB PRO 20 2HB PRO 20 -1.409 3.508 -20.294 151 2HB PRO 20 3HB PRO 20 -2.131 1.980 -20.756 152 1HG PRO 20 2HG PRO 20 -0.697 3.938 -22.444 153 2HG PRO 20 3HG PRO 20 -1.045 2.252 -22.772 154 1HD PRO 20 2HD PRO 20 -2.395 4.530 -23.876 155 2HD PRO 20 3HD PRO 20 -2.816 2.845 -24.113 156 H ASN 21 HN ASN 21 -3.962 5.951 -22.203 157 HA ASN 21 HA ASN 21 -3.058 7.496 -19.960 158 1HB ASN 21 2HB ASN 21 -3.930 8.105 -22.807 159 2HB ASN 21 3HB ASN 21 -3.860 9.410 -21.640 160 1HD2 ASN 21 1HD2 ASN 21 -2.257 8.527 -24.081 161 2HD2 ASN 21 2HD2 ASN 21 -0.598 8.628 -23.591 162 H GLN 22 HN GLN 22 -6.034 6.916 -21.958 163 HA GLN 22 HA GLN 22 -7.564 8.366 -19.960 164 1HB GLN 22 2HB GLN 22 -9.421 8.013 -21.793 165 2HB GLN 22 3HB GLN 22 -8.180 9.226 -22.041 166 1HG GLN 22 2HG GLN 22 -7.585 6.439 -23.010 167 2HG GLN 22 3HG GLN 22 -8.777 7.358 -23.908 168 1HE2 GLN 22 1HE2 GLN 22 -7.584 7.657 -25.716 169 2HE2 GLN 22 2HE2 GLN 22 -6.164 8.644 -25.811 170 H LEU 23 HN LEU 23 -8.949 7.314 -18.566 171 HA LEU 23 HA LEU 23 -8.985 4.420 -18.754 172 1HB LEU 23 2HB LEU 23 -9.606 6.441 -16.631 173 2HB LEU 23 3HB LEU 23 -10.238 4.813 -16.495 174 HG LEU 23 HG LEU 23 -7.958 5.494 -15.378 175 1HD1 LEU 23 1HD1 LEU 23 -7.632 2.884 -16.710 176 2HD1 LEU 23 2HD1 LEU 23 -7.688 3.301 -14.981 177 3HD1 LEU 23 3HD1 LEU 23 -9.200 3.131 -15.905 178 1HD2 LEU 23 1HD2 LEU 23 -6.017 4.855 -16.806 179 2HD2 LEU 23 2HD2 LEU 23 -7.109 4.847 -18.212 180 3HD2 LEU 23 3HD2 LEU 23 -6.829 6.356 -17.311 181 H SER 24 HN SER 24 -11.112 3.270 -18.316 182 HA SER 24 HA SER 24 -13.308 4.790 -19.474 183 1HB SER 24 2HB SER 24 -12.767 1.872 -20.147 184 2HB SER 24 3HB SER 24 -13.931 2.941 -20.903 185 HG SER 24 HG SER 24 -11.445 4.075 -21.080 186 H LYS 25 HN LYS 25 -15.485 3.877 -18.904 187 HA LYS 25 HA LYS 25 -15.748 3.370 -16.230 188 1HB LYS 25 2HB LYS 25 -17.549 4.169 -17.684 189 2HB LYS 25 3HB LYS 25 -17.616 2.619 -18.499 190 1HG LYS 25 2HG LYS 25 -17.839 1.840 -15.851 191 2HG LYS 25 3HG LYS 25 -18.649 3.394 -15.815 192 1HD LYS 25 2HD LYS 25 -19.541 2.038 -18.188 193 2HD LYS 25 3HD LYS 25 -19.616 0.877 -16.878 194 1HE LYS 25 2HE LYS 25 -20.711 2.976 -15.573 195 2HE LYS 25 3HE LYS 25 -21.113 3.472 -17.205 196 1HZ LYS 25 1HZ LYS 25 -22.765 2.043 -17.103 197 2HZ LYS 25 2HZ LYS 25 -21.707 0.801 -17.049 198 3HZ LYS 25 3HZ LYS 25 -22.277 1.449 -15.662 199 H GLU 26 HN GLU 26 -16.039 0.921 -18.906 200 HA GLU 26 HA GLU 26 -16.218 -1.243 -17.240 201 1HB GLU 26 2HB GLU 26 -15.919 -0.738 -20.055 202 2HB GLU 26 3HB GLU 26 -14.772 -1.991 -19.624 203 1HG GLU 26 2HG GLU 26 -17.028 -2.802 -18.224 204 2HG GLU 26 3HG GLU 26 -17.744 -2.077 -19.649 205 H GLU 27 HN GLU 27 -13.360 0.556 -18.426 206 HA GLU 27 HA GLU 27 -11.475 -1.347 -17.676 207 1HB GLU 27 2HB GLU 27 -11.516 1.417 -18.641 208 2HB GLU 27 3HB GLU 27 -10.250 1.191 -17.450 209 1HG GLU 27 2HG GLU 27 -10.247 -1.111 -19.198 210 2HG GLU 27 3HG GLU 27 -10.287 0.326 -20.200 211 H LEU 28 HN LEU 28 -12.406 1.771 -16.035 212 HA LEU 28 HA LEU 28 -10.949 1.391 -13.745 213 1HB LEU 28 2HB LEU 28 -12.320 3.396 -14.627 214 2HB LEU 28 3HB LEU 28 -13.661 2.684 -13.752 215 HG LEU 28 HG LEU 28 -12.856 3.283 -11.725 216 1HD1 LEU 28 1HD1 LEU 28 -10.491 3.357 -11.078 217 2HD1 LEU 28 2HD1 LEU 28 -10.932 1.790 -11.799 218 3HD1 LEU 28 3HD1 LEU 28 -10.021 2.985 -12.754 219 1HD2 LEU 28 1HD2 LEU 28 -11.977 5.463 -11.731 220 2HD2 LEU 28 2HD2 LEU 28 -11.096 5.199 -13.255 221 3HD2 LEU 28 3HD2 LEU 28 -12.872 5.318 -13.263 222 H LYS 29 HN LYS 29 -14.155 0.077 -14.673 223 HA LYS 29 HA LYS 29 -15.038 -0.853 -12.278 224 1HB LYS 29 2HB LYS 29 -16.286 -0.964 -14.390 225 2HB LYS 29 3HB LYS 29 -15.212 -2.215 -14.982 226 1HG LYS 29 2HG LYS 29 -16.063 -3.842 -13.529 227 2HG LYS 29 3HG LYS 29 -16.527 -2.671 -12.310 228 1HD LYS 29 2HD LYS 29 -18.241 -1.836 -14.164 229 2HD LYS 29 3HD LYS 29 -17.976 -3.420 -14.863 230 1HE LYS 29 2HE LYS 29 -18.813 -4.551 -12.919 231 2HE LYS 29 3HE LYS 29 -18.668 -3.121 -11.916 232 1HZ LYS 29 1HZ LYS 29 -20.680 -2.518 -12.524 233 2HZ LYS 29 2HZ LYS 29 -20.318 -2.583 -14.115 234 3HZ LYS 29 3HZ LYS 29 -20.861 -3.917 -13.346 235 H LEU 30 HN LEU 30 -12.837 -2.610 -14.575 236 HA LEU 30 HA LEU 30 -12.428 -4.822 -12.988 237 1HB LEU 30 2HB LEU 30 -10.493 -3.494 -14.892 238 2HB LEU 30 3HB LEU 30 -10.383 -5.139 -14.298 239 HG LEU 30 HG LEU 30 -12.317 -3.959 -16.270 240 1HD1 LEU 30 1HD1 LEU 30 -10.594 -6.451 -16.247 241 2HD1 LEU 30 2HD1 LEU 30 -11.699 -5.978 -17.559 242 3HD1 LEU 30 3HD1 LEU 30 -10.302 -4.951 -17.159 243 1HD2 LEU 30 1HD2 LEU 30 -13.630 -6.095 -16.129 244 2HD2 LEU 30 2HD2 LEU 30 -12.788 -6.437 -14.599 245 3HD2 LEU 30 3HD2 LEU 30 -13.823 -4.996 -14.741 246 H LEU 31 HN LEU 31 -10.376 -1.827 -13.205 247 HA LEU 31 HA LEU 31 -8.573 -2.486 -11.263 248 1HB LEU 31 2HB LEU 31 -8.777 -0.463 -12.879 249 2HB LEU 31 3HB LEU 31 -9.630 0.307 -11.556 250 HG LEU 31 HG LEU 31 -7.131 -0.885 -10.650 251 1HD1 LEU 31 1HD1 LEU 31 -5.797 -0.419 -12.370 252 2HD1 LEU 31 2HD1 LEU 31 -7.070 0.495 -13.214 253 3HD1 LEU 31 3HD1 LEU 31 -6.059 1.300 -11.990 254 1HD2 LEU 31 1HD2 LEU 31 -8.555 0.814 -9.472 255 2HD2 LEU 31 2HD2 LEU 31 -6.827 1.226 -9.586 256 3HD2 LEU 31 3HD2 LEU 31 -8.003 2.013 -10.666 257 H LEU 32 HN LEU 32 -11.536 -0.438 -10.742 258 HA LEU 32 HA LEU 32 -11.393 -0.326 -8.021 259 1HB LEU 32 2HB LEU 32 -13.902 -0.521 -9.692 260 2HB LEU 32 3HB LEU 32 -13.779 0.135 -8.072 261 HG LEU 32 HG LEU 32 -12.293 1.298 -10.438 262 1HD1 LEU 32 1HD1 LEU 32 -14.450 1.663 -11.146 263 2HD1 LEU 32 2HD1 LEU 32 -15.100 1.753 -9.491 264 3HD1 LEU 32 3HD1 LEU 32 -14.164 3.114 -10.155 265 1HD2 LEU 32 1HD2 LEU 32 -12.739 2.153 -7.589 266 2HD2 LEU 32 2HD2 LEU 32 -11.227 2.067 -8.526 267 3HD2 LEU 32 3HD2 LEU 32 -12.412 3.352 -8.864 268 H GLN 33 HN GLN 33 -12.073 -3.081 -10.070 269 HA GLN 33 HA GLN 33 -13.501 -4.541 -8.138 270 1HB GLN 33 2HB GLN 33 -12.944 -4.823 -10.841 271 2HB GLN 33 3HB GLN 33 -11.962 -6.094 -10.141 272 1HG GLN 33 2HG GLN 33 -13.820 -7.233 -9.242 273 2HG GLN 33 3HG GLN 33 -14.813 -5.790 -9.186 274 1HE2 GLN 33 1HE2 GLN 33 -14.446 -8.645 -10.668 275 2HE2 GLN 33 2HE2 GLN 33 -15.153 -8.340 -12.219 276 H THR 34 HN THR 34 -10.135 -5.022 -9.454 277 HA THR 34 HA THR 34 -9.443 -6.591 -7.136 278 HB THR 34 HB THR 34 -8.396 -5.983 -9.853 279 HG1 THR 34 HG1 THR 34 -9.106 -8.086 -9.347 280 1HG2 THR 34 1HG2 THR 34 -6.073 -6.559 -9.313 281 2HG2 THR 34 2HG2 THR 34 -6.506 -5.107 -8.378 282 3HG2 THR 34 3HG2 THR 34 -6.469 -6.700 -7.583 283 H GLU 35 HN GLU 35 -8.426 -3.414 -8.548 284 HA GLU 35 HA GLU 35 -6.568 -2.742 -6.734 285 1HB GLU 35 2HB GLU 35 -7.192 -1.384 -8.716 286 2HB GLU 35 3HB GLU 35 -8.690 -0.911 -7.939 287 1HG GLU 35 2HG GLU 35 -7.498 0.890 -7.190 288 2HG GLU 35 3HG GLU 35 -6.876 -0.220 -5.985 289 H PHE 36 HN PHE 36 -10.081 -1.805 -6.468 290 HA PHE 36 HA PHE 36 -9.945 -2.296 -3.624 291 1HB PHE 36 2HB PHE 36 -9.890 0.359 -4.986 292 2HB PHE 36 3HB PHE 36 -11.215 0.228 -3.847 293 HD1 PHE 36 HD1 PHE 36 -7.531 -0.185 -4.117 294 HD2 PHE 36 HD2 PHE 36 -10.840 0.544 -1.563 295 HE1 PHE 36 HE1 PHE 36 -5.960 0.332 -2.230 296 HE2 PHE 36 HE2 PHE 36 -9.269 1.062 0.325 297 HZ PHE 36 HZ PHE 36 -6.847 0.950 -0.031 298 HA PRO 37 HA PRO 37 -13.923 -3.390 -5.358 299 1HB PRO 37 2HB PRO 37 -14.240 -5.725 -3.973 300 2HB PRO 37 3HB PRO 37 -13.502 -5.645 -5.560 301 1HG PRO 37 2HG PRO 37 -12.206 -6.024 -2.930 302 2HG PRO 37 3HG PRO 37 -11.568 -6.360 -4.527 303 1HD PRO 37 2HD PRO 37 -10.920 -4.121 -2.856 304 2HD PRO 37 3HD PRO 37 -10.371 -4.397 -4.497 305 H SER 38 HN SER 38 -12.795 -2.492 -2.370 306 HA SER 38 HA SER 38 -15.233 -2.845 -0.985 307 1HB SER 38 2HB SER 38 -12.734 -2.521 -0.124 308 2HB SER 38 3HB SER 38 -13.147 -0.819 -0.166 309 HG SER 38 HG SER 38 -14.284 -2.915 1.433 310 H LEU 39 HN LEU 39 -13.800 -0.392 -3.096 311 HA LEU 39 HA LEU 39 -15.462 1.746 -2.251 312 1HB LEU 39 2HB LEU 39 -13.264 1.326 -3.995 313 2HB LEU 39 3HB LEU 39 -14.548 2.044 -4.947 314 HG LEU 39 HG LEU 39 -14.032 3.328 -2.322 315 1HD1 LEU 39 1HD1 LEU 39 -12.146 4.467 -4.127 316 2HD1 LEU 39 2HD1 LEU 39 -11.861 3.705 -2.544 317 3HD1 LEU 39 3HD1 LEU 39 -11.831 2.718 -4.025 318 1HD2 LEU 39 1HD2 LEU 39 -14.833 4.129 -5.091 319 2HD2 LEU 39 2HD2 LEU 39 -15.588 4.504 -3.523 320 3HD2 LEU 39 3HD2 LEU 39 -14.100 5.345 -4.017 321 H LEU 40 HN LEU 40 -15.946 -1.122 -4.145 322 HA LEU 40 HA LEU 40 -18.009 -0.059 -5.797 323 1HB LEU 40 2HB LEU 40 -17.180 -2.879 -5.109 324 2HB LEU 40 3HB LEU 40 -18.435 -2.479 -6.264 325 HG LEU 40 HG LEU 40 -15.719 -1.272 -6.639 326 1HD1 LEU 40 1HD1 LEU 40 -14.650 -3.146 -7.287 327 2HD1 LEU 40 2HD1 LEU 40 -15.802 -3.936 -6.185 328 3HD1 LEU 40 3HD1 LEU 40 -16.126 -3.901 -7.935 329 1HD2 LEU 40 1HD2 LEU 40 -16.562 -0.663 -8.598 330 2HD2 LEU 40 2HD2 LEU 40 -17.001 -2.344 -8.990 331 3HD2 LEU 40 3HD2 LEU 40 -18.134 -1.317 -8.078 332 H LYS 41 HN LYS 41 -17.744 -1.276 -2.505 333 HA LYS 41 HA LYS 41 -20.465 -1.985 -2.210 334 1HB LYS 41 2HB LYS 41 -18.305 -1.308 -0.194 335 2HB LYS 41 3HB LYS 41 -19.898 -1.900 0.234 336 1HG LYS 41 2HG LYS 41 -19.074 -3.706 -1.744 337 2HG LYS 41 3HG LYS 41 -17.587 -3.370 -0.880 338 1HD LYS 41 2HD LYS 41 -18.306 -4.408 1.045 339 2HD LYS 41 3HD LYS 41 -19.945 -3.809 0.884 340 1HE LYS 41 2HE LYS 41 -19.728 -5.562 -1.283 341 2HE LYS 41 3HE LYS 41 -18.778 -6.366 -0.050 342 1HZ LYS 41 1HZ LYS 41 -21.582 -5.963 -0.164 343 2HZ LYS 41 2HZ LYS 41 -20.724 -7.040 0.714 344 3HZ LYS 41 3HZ LYS 41 -20.961 -5.527 1.282 345 H GLY 42 HN GLY 42 -18.566 1.030 -1.822 346 1HA GLY 42 1HA GLY 42 -20.127 2.673 -0.404 347 2HA GLY 42 2HA GLY 42 -19.320 3.170 -1.878 348 H MET 43 HN MET 43 -21.780 4.323 -1.008 349 HA MET 43 HA MET 43 -23.942 3.053 -2.287 350 1HB MET 43 2HB MET 43 -23.517 5.948 -1.357 351 2HB MET 43 3HB MET 43 -25.072 5.286 -1.820 352 1HG MET 43 2HG MET 43 -24.809 3.531 -0.002 353 2HG MET 43 3HG MET 43 -23.329 4.324 0.500 354 1HE MET 43 1HE MET 43 -25.491 5.368 3.350 355 2HE MET 43 2HE MET 43 -26.426 4.162 2.433 356 3HE MET 43 3HE MET 43 -24.662 3.986 2.593 357 H SER 44 HN SER 44 -21.224 4.491 -3.590 358 HA SER 44 HA SER 44 -22.622 5.852 -5.706 359 1HB SER 44 2HB SER 44 -20.082 6.067 -6.499 360 2HB SER 44 3HB SER 44 -20.724 7.085 -5.224 361 HG SER 44 HG SER 44 -18.844 6.264 -4.367 362 H THR 45 HN THR 45 -23.613 4.341 -7.062 363 HA THR 45 HA THR 45 -22.547 1.815 -7.641 364 HB THR 45 HB THR 45 -24.328 1.865 -9.417 365 HG1 THR 45 HG1 THR 45 -25.452 4.019 -9.498 366 1HG2 THR 45 1HG2 THR 45 -25.297 3.370 -6.937 367 2HG2 THR 45 2HG2 THR 45 -26.256 2.308 -7.996 368 3HG2 THR 45 3HG2 THR 45 -24.997 1.616 -6.945 369 H LEU 46 HN LEU 46 -22.069 1.093 -9.990 370 HA LEU 46 HA LEU 46 -19.626 2.120 -10.697 371 1HB LEU 46 2HB LEU 46 -20.957 -0.060 -11.335 372 2HB LEU 46 3HB LEU 46 -21.402 0.871 -12.752 373 HG LEU 46 HG LEU 46 -19.386 -0.674 -12.945 374 1HD1 LEU 46 1HD1 LEU 46 -18.858 0.519 -14.746 375 2HD1 LEU 46 2HD1 LEU 46 -19.992 1.757 -14.156 376 3HD1 LEU 46 3HD1 LEU 46 -18.260 1.878 -13.764 377 1HD2 LEU 46 1HD2 LEU 46 -17.294 -0.050 -12.059 378 2HD2 LEU 46 2HD2 LEU 46 -17.893 1.545 -11.542 379 3HD2 LEU 46 3HD2 LEU 46 -18.442 0.074 -10.704 380 H ASP 47 HN ASP 47 -22.720 2.602 -12.553 381 HA ASP 47 HA ASP 47 -21.860 4.385 -14.323 382 1HB ASP 47 2HB ASP 47 -24.393 3.668 -13.116 383 2HB ASP 47 3HB ASP 47 -24.364 5.407 -13.327 384 H GLU 48 HN GLU 48 -23.145 5.123 -10.992 385 HA GLU 48 HA GLU 48 -22.862 7.835 -11.093 386 1HB GLU 48 2HB GLU 48 -23.314 5.794 -9.074 387 2HB GLU 48 3HB GLU 48 -22.244 7.023 -8.429 388 1HG GLU 48 2HG GLU 48 -24.038 8.670 -9.600 389 2HG GLU 48 3HG GLU 48 -25.091 7.287 -9.376 390 H LEU 49 HN LEU 49 -20.472 5.314 -10.076 391 HA LEU 49 HA LEU 49 -18.476 7.068 -9.264 392 1HB LEU 49 2HB LEU 49 -18.852 4.380 -9.282 393 2HB LEU 49 3HB LEU 49 -17.652 4.541 -10.549 394 HG LEU 49 HG LEU 49 -16.406 6.024 -8.736 395 1HD1 LEU 49 1HD1 LEU 49 -18.529 4.650 -7.204 396 2HD1 LEU 49 2HD1 LEU 49 -16.890 4.552 -6.517 397 3HD1 LEU 49 3HD1 LEU 49 -17.624 6.140 -6.846 398 1HD2 LEU 49 1HD2 LEU 49 -14.932 4.351 -8.752 399 2HD2 LEU 49 2HD2 LEU 49 -16.075 3.219 -7.990 400 3HD2 LEU 49 3HD2 LEU 49 -16.113 3.472 -9.752 401 H PHE 50 HN PHE 50 -19.136 5.560 -12.491 402 HA PHE 50 HA PHE 50 -16.956 6.577 -13.816 403 1HB PHE 50 2HB PHE 50 -18.807 4.920 -14.551 404 2HB PHE 50 3HB PHE 50 -19.856 6.301 -14.805 405 HD1 PHE 50 HD1 PHE 50 -16.247 5.970 -15.644 406 HD2 PHE 50 HD2 PHE 50 -20.216 6.299 -17.108 407 HE1 PHE 50 HE1 PHE 50 -15.365 6.211 -17.982 408 HE2 PHE 50 HE2 PHE 50 -19.334 6.540 -19.445 409 HZ PHE 50 HZ PHE 50 -16.919 6.493 -19.855 410 H GLU 51 HN GLU 51 -20.266 8.034 -13.457 411 HA GLU 51 HA GLU 51 -19.643 10.309 -14.920 412 1HB GLU 51 2HB GLU 51 -21.919 9.230 -13.781 413 2HB GLU 51 3HB GLU 51 -21.656 10.628 -12.758 414 1HG GLU 51 2HG GLU 51 -21.311 11.923 -15.039 415 2HG GLU 51 3HG GLU 51 -22.126 10.546 -15.754 416 H GLU 52 HN GLU 52 -19.479 9.554 -11.396 417 HA GLU 52 HA GLU 52 -18.918 12.106 -10.536 418 1HB GLU 52 2HB GLU 52 -19.385 9.803 -9.270 419 2HB GLU 52 3HB GLU 52 -17.636 9.723 -9.202 420 1HG GLU 52 2HG GLU 52 -17.645 12.079 -8.214 421 2HG GLU 52 3HG GLU 52 -19.392 11.979 -8.132 422 H LEU 53 HN LEU 53 -16.640 9.396 -11.366 423 HA LEU 53 HA LEU 53 -14.289 10.713 -10.885 424 1HB LEU 53 2HB LEU 53 -14.870 8.716 -13.077 425 2HB LEU 53 3HB LEU 53 -13.287 9.127 -12.449 426 HG LEU 53 HG LEU 53 -15.313 8.146 -10.491 427 1HD1 LEU 53 1HD1 LEU 53 -14.856 6.710 -12.874 428 2HD1 LEU 53 2HD1 LEU 53 -13.927 5.883 -11.600 429 3HD1 LEU 53 3HD1 LEU 53 -15.674 6.154 -11.394 430 1HD2 LEU 53 1HD2 LEU 53 -13.498 7.477 -9.258 431 2HD2 LEU 53 2HD2 LEU 53 -12.478 7.205 -10.692 432 3HD2 LEU 53 3HD2 LEU 53 -12.806 8.864 -10.134 433 H ASP 54 HN ASP 54 -16.098 10.532 -14.033 434 HA ASP 54 HA ASP 54 -14.367 12.379 -15.239 435 1HB ASP 54 2HB ASP 54 -15.661 10.761 -16.559 436 2HB ASP 54 3HB ASP 54 -17.172 11.408 -15.950 437 H LYS 55 HN LYS 55 -14.313 14.518 -14.502 438 HA LYS 55 HA LYS 55 -16.902 15.752 -13.865 439 1HB LYS 55 2HB LYS 55 -14.516 15.538 -12.322 440 2HB LYS 55 3HB LYS 55 -14.689 17.221 -12.777 441 1HG LYS 55 2HG LYS 55 -16.744 17.465 -11.668 442 2HG LYS 55 3HG LYS 55 -17.150 15.766 -11.814 443 1HD LYS 55 2HD LYS 55 -15.192 15.293 -10.194 444 2HD LYS 55 3HD LYS 55 -15.123 17.021 -9.913 445 1HE LYS 55 2HE LYS 55 -17.792 16.649 -9.532 446 2HE LYS 55 3HE LYS 55 -17.236 15.044 -9.099 447 1HZ LYS 55 1HZ LYS 55 -17.095 16.221 -7.153 448 2HZ LYS 55 2HZ LYS 55 -15.554 16.305 -7.686 449 3HZ LYS 55 3HZ LYS 55 -16.547 17.590 -7.854 450 H ASN 56 HN ASN 56 -14.314 15.562 -16.088 451 HA ASN 56 HA ASN 56 -14.306 18.308 -16.790 452 1HB ASN 56 2HB ASN 56 -13.350 15.938 -18.473 453 2HB ASN 56 3HB ASN 56 -12.825 17.604 -18.617 454 1HD2 ASN 56 1HD2 ASN 56 -10.987 18.101 -17.713 455 2HD2 ASN 56 2HD2 ASN 56 -10.218 17.305 -16.380 456 H GLY 57 HN GLY 57 -15.410 15.202 -18.358 457 1HA GLY 57 1HA GLY 57 -17.631 15.074 -19.261 458 2HA GLY 57 2HA GLY 57 -17.499 16.747 -19.765 459 H ASP 58 HN ASP 58 -15.555 13.685 -20.123 460 HA ASP 58 HA ASP 58 -15.573 14.212 -22.979 461 1HB ASP 58 2HB ASP 58 -13.148 13.306 -22.970 462 2HB ASP 58 3HB ASP 58 -13.388 14.952 -22.418 463 H GLY 59 HN GLY 59 -14.645 11.949 -20.281 464 1HA GLY 59 1HA GLY 59 -16.001 9.859 -20.282 465 2HA GLY 59 2HA GLY 59 -15.540 9.686 -21.964 466 H GLU 60 HN GLU 60 -12.929 11.189 -20.484 467 HA GLU 60 HA GLU 60 -11.641 8.603 -20.156 468 1HB GLU 60 2HB GLU 60 -10.301 11.318 -20.494 469 2HB GLU 60 3HB GLU 60 -9.541 9.744 -20.621 470 1HG GLU 60 2HG GLU 60 -10.115 9.577 -22.808 471 2HG GLU 60 3HG GLU 60 -11.808 9.828 -22.430 472 H VAL 61 HN VAL 61 -11.155 7.911 -18.118 473 HA VAL 61 HA VAL 61 -11.327 9.888 -15.977 474 HB VAL 61 HB VAL 61 -11.476 6.877 -16.083 475 1HG1 VAL 61 1HG1 VAL 61 -10.498 6.937 -14.040 476 2HG1 VAL 61 2HG1 VAL 61 -10.852 8.665 -13.800 477 3HG1 VAL 61 3HG1 VAL 61 -12.118 7.448 -13.509 478 1HG2 VAL 61 1HG2 VAL 61 -13.537 8.702 -14.878 479 2HG2 VAL 61 2HG2 VAL 61 -13.450 8.516 -16.646 480 3HG2 VAL 61 3HG2 VAL 61 -13.732 7.093 -15.614 481 H SER 62 HN SER 62 -9.108 10.467 -17.320 482 HA SER 62 HA SER 62 -6.881 8.986 -17.021 483 1HB SER 62 2HB SER 62 -6.236 11.758 -16.450 484 2HB SER 62 3HB SER 62 -5.938 10.838 -17.911 485 HG SER 62 HG SER 62 -8.356 12.266 -17.210 486 H PHE 63 HN PHE 63 -4.940 9.490 -15.472 487 HA PHE 63 HA PHE 63 -5.547 8.697 -12.946 488 1HB PHE 63 2HB PHE 63 -3.297 9.042 -14.321 489 2HB PHE 63 3HB PHE 63 -3.300 10.660 -13.647 490 HD1 PHE 63 HD1 PHE 63 -1.658 10.799 -12.037 491 HD2 PHE 63 HD2 PHE 63 -4.099 7.330 -12.151 492 HE1 PHE 63 HE1 PHE 63 -0.532 9.938 -9.966 493 HE2 PHE 63 HE2 PHE 63 -2.973 6.469 -10.080 494 HZ PHE 63 HZ PHE 63 -1.202 7.783 -9.012 495 H GLU 64 HN GLU 64 -5.570 12.000 -14.303 496 HA GLU 64 HA GLU 64 -5.421 13.473 -12.041 497 1HB GLU 64 2HB GLU 64 -7.159 14.993 -13.381 498 2HB GLU 64 3HB GLU 64 -5.513 14.784 -13.944 499 1HG GLU 64 2HG GLU 64 -6.179 13.660 -15.814 500 2HG GLU 64 3HG GLU 64 -7.259 12.620 -14.906 501 H GLU 65 HN GLU 65 -8.447 12.128 -13.550 502 HA GLU 65 HA GLU 65 -10.070 13.003 -11.455 503 1HB GLU 65 2HB GLU 65 -10.536 10.756 -13.466 504 2HB GLU 65 3HB GLU 65 -11.777 11.499 -12.477 505 1HG GLU 65 2HG GLU 65 -11.930 13.326 -13.837 506 2HG GLU 65 3HG GLU 65 -10.190 13.510 -13.934 507 H PHE 66 HN PHE 66 -8.089 10.102 -11.996 508 HA PHE 66 HA PHE 66 -9.295 8.393 -10.181 509 1HB PHE 66 2HB PHE 66 -7.329 8.156 -11.950 510 2HB PHE 66 3HB PHE 66 -6.284 8.719 -10.661 511 HD1 PHE 66 HD1 PHE 66 -9.113 6.274 -10.803 512 HD2 PHE 66 HD2 PHE 66 -5.057 6.987 -9.781 513 HE1 PHE 66 HE1 PHE 66 -8.918 3.926 -9.937 514 HE2 PHE 66 HE2 PHE 66 -4.862 4.640 -8.914 515 HZ PHE 66 HZ PHE 66 -6.795 3.137 -9.002 516 H GLN 67 HN GLN 67 -6.921 11.050 -9.723 517 HA GLN 67 HA GLN 67 -6.186 10.400 -7.146 518 1HB GLN 67 2HB GLN 67 -6.409 13.167 -8.413 519 2HB GLN 67 3HB GLN 67 -5.475 12.780 -6.982 520 1HG GLN 67 2HG GLN 67 -4.575 10.882 -8.829 521 2HG GLN 67 3HG GLN 67 -4.836 12.295 -9.831 522 1HE2 GLN 67 1HE2 GLN 67 -2.348 11.070 -9.191 523 2HE2 GLN 67 2HE2 GLN 67 -1.363 12.217 -8.346 524 H VAL 68 HN VAL 68 -9.231 11.414 -8.387 525 HA VAL 68 HA VAL 68 -10.086 12.821 -6.042 526 HB VAL 68 HB VAL 68 -11.703 11.669 -8.321 527 1HG1 VAL 68 1HG1 VAL 68 -13.358 13.349 -7.728 528 2HG1 VAL 68 2HG1 VAL 68 -12.990 12.340 -6.309 529 3HG1 VAL 68 3HG1 VAL 68 -12.303 13.977 -6.440 530 1HG2 VAL 68 1HG2 VAL 68 -9.870 13.134 -9.135 531 2HG2 VAL 68 2HG2 VAL 68 -11.486 13.817 -9.433 532 3HG2 VAL 68 3HG2 VAL 68 -10.488 14.444 -8.099 533 H LEU 69 HN LEU 69 -10.388 9.512 -7.430 534 HA LEU 69 HA LEU 69 -12.068 8.668 -5.257 535 1HB LEU 69 2HB LEU 69 -11.971 7.886 -7.758 536 2HB LEU 69 3HB LEU 69 -10.709 6.818 -7.178 537 HG LEU 69 HG LEU 69 -12.334 5.934 -5.470 538 1HD1 LEU 69 1HD1 LEU 69 -13.932 8.102 -6.477 539 2HD1 LEU 69 2HD1 LEU 69 -14.781 6.557 -6.726 540 3HD1 LEU 69 3HD1 LEU 69 -14.231 7.018 -5.097 541 1HD2 LEU 69 1HD2 LEU 69 -13.322 5.564 -8.302 542 2HD2 LEU 69 2HD2 LEU 69 -11.798 4.867 -7.702 543 3HD2 LEU 69 3HD2 LEU 69 -13.345 4.398 -6.958 544 H VAL 70 HN VAL 70 -8.631 8.836 -6.039 545 HA VAL 70 HA VAL 70 -7.605 6.835 -4.485 546 HB VAL 70 HB VAL 70 -6.702 9.542 -5.352 547 1HG1 VAL 70 1HG1 VAL 70 -5.778 9.495 -3.134 548 2HG1 VAL 70 2HG1 VAL 70 -5.232 7.813 -3.338 549 3HG1 VAL 70 3HG1 VAL 70 -4.471 9.117 -4.282 550 1HG2 VAL 70 1HG2 VAL 70 -4.771 7.825 -6.106 551 2HG2 VAL 70 2HG2 VAL 70 -6.134 6.687 -5.977 552 3HG2 VAL 70 3HG2 VAL 70 -6.253 8.099 -7.054 553 H LYS 71 HN LYS 71 -9.326 9.742 -3.523 554 HA LYS 71 HA LYS 71 -8.299 9.840 -0.880 555 1HB LYS 71 2HB LYS 71 -9.602 11.603 -2.421 556 2HB LYS 71 3HB LYS 71 -10.983 10.962 -1.554 557 1HG LYS 71 2HG LYS 71 -8.733 11.454 0.268 558 2HG LYS 71 3HG LYS 71 -9.150 12.905 -0.621 559 1HD LYS 71 2HD LYS 71 -11.576 11.536 0.270 560 2HD LYS 71 3HD LYS 71 -10.507 11.815 1.630 561 1HE LYS 71 2HE LYS 71 -10.723 14.144 -0.201 562 2HE LYS 71 3HE LYS 71 -12.246 13.697 0.542 563 1HZ LYS 71 1HZ LYS 71 -9.855 14.713 1.772 564 2HZ LYS 71 2HZ LYS 71 -11.417 14.930 2.193 565 3HZ LYS 71 3HZ LYS 71 -10.639 13.560 2.621 566 H LYS 72 HN LYS 72 -11.273 8.463 -2.416 567 HA LYS 72 HA LYS 72 -12.200 7.417 0.069 568 1HB LYS 72 2HB LYS 72 -13.075 6.810 -2.772 569 2HB LYS 72 3HB LYS 72 -13.939 6.371 -1.312 570 1HG LYS 72 2HG LYS 72 -13.196 9.265 -1.885 571 2HG LYS 72 3HG LYS 72 -14.651 8.556 -2.556 572 1HD LYS 72 2HD LYS 72 -14.776 7.785 0.132 573 2HD LYS 72 3HD LYS 72 -14.079 9.391 0.224 574 1HE LYS 72 2HE LYS 72 -15.947 10.338 -1.070 575 2HE LYS 72 3HE LYS 72 -16.604 8.741 -1.369 576 1HZ LYS 72 1HZ LYS 72 -17.786 9.284 0.439 577 2HZ LYS 72 2HZ LYS 72 -16.492 8.701 1.247 578 3HZ LYS 72 3HZ LYS 72 -16.671 10.312 1.045 579 H ILE 73 HN ILE 73 -9.755 6.530 -2.181 580 HA ILE 73 HA ILE 73 -10.000 3.701 -1.750 581 HB ILE 73 HB ILE 73 -7.973 5.451 -3.131 582 1HG1 ILE 73 2HG1 ILE 73 -9.892 3.401 -4.267 583 2HG1 ILE 73 3HG1 ILE 73 -10.257 5.111 -4.150 584 1HG2 ILE 73 1HG2 ILE 73 -7.271 3.051 -4.022 585 2HG2 ILE 73 2HG2 ILE 73 -6.544 3.769 -2.564 586 3HG2 ILE 73 3HG2 ILE 73 -7.841 2.560 -2.408 587 1HD1 ILE 73 1HD1 ILE 73 -7.608 4.620 -5.351 588 2HD1 ILE 73 2HD1 ILE 73 -8.935 3.871 -6.271 589 3HD1 ILE 73 3HD1 ILE 73 -8.954 5.621 -5.945 590 H SER 74 HN SER 74 -8.194 6.477 -0.412 591 HA SER 74 HA SER 74 -6.630 4.682 1.205 592 1HB SER 74 2HB SER 74 -6.075 7.124 0.075 593 2HB SER 74 3HB SER 74 -6.507 7.622 1.699 594 HG SER 74 HG SER 74 -4.563 6.992 2.308 595 H GLN 75 HN GLN 75 -9.286 7.093 1.457 596 HA GLN 75 HA GLN 75 -9.350 7.058 4.263 597 1HB GLN 75 2HB GLN 75 -10.317 8.967 3.280 598 2HB GLN 75 3HB GLN 75 -11.188 8.039 2.076 599 1HG GLN 75 2HG GLN 75 -11.830 7.737 5.033 600 2HG GLN 75 3HG GLN 75 -12.528 9.042 4.094 601 1HE2 GLN 75 1HE2 GLN 75 -13.071 8.036 1.704 602 2HE2 GLN 75 2HE2 GLN 75 -14.198 6.723 1.771 Start of MODEL 30 1 H LYS 1 HN LYS 1 1.884 0.000 0.829 2 HA LYS 1 HA LYS 1 2.510 -0.992 -1.364 3 1HB LYS 1 2HB LYS 1 1.688 0.106 -3.366 4 2HB LYS 1 3HB LYS 1 0.349 -0.527 -2.430 5 1HG LYS 1 2HG LYS 1 -0.121 1.710 -1.499 6 2HG LYS 1 3HG LYS 1 1.299 2.373 -2.284 7 1HD LYS 1 2HD LYS 1 0.306 1.756 -4.525 8 2HD LYS 1 3HD LYS 1 -1.135 1.190 -3.704 9 1HE LYS 1 2HE LYS 1 -1.318 3.541 -2.658 10 2HE LYS 1 3HE LYS 1 -0.052 4.042 -3.762 11 1HZ LYS 1 1HZ LYS 1 -2.781 3.577 -4.293 12 2HZ LYS 1 2HZ LYS 1 -1.667 4.339 -5.212 13 3HZ LYS 1 3HZ LYS 1 -1.841 2.718 -5.315 14 H SER 2 HN SER 2 1.957 2.399 -0.273 15 HA SER 2 HA SER 2 4.199 3.465 -1.466 16 1HB SER 2 2HB SER 2 2.172 4.291 0.397 17 2HB SER 2 3HB SER 2 3.720 4.756 1.074 18 HG SER 2 HG SER 2 2.380 5.740 -1.188 19 HA PRO 3 HA PRO 3 7.487 2.397 1.196 20 1HB PRO 3 2HB PRO 3 8.828 4.708 1.773 21 2HB PRO 3 3HB PRO 3 8.979 3.869 0.242 22 1HG PRO 3 2HG PRO 3 7.502 6.355 0.855 23 2HG PRO 3 3HG PRO 3 8.016 5.739 -0.703 24 1HD PRO 3 2HD PRO 3 5.363 5.659 0.382 25 2HD PRO 3 3HD PRO 3 5.901 4.942 -1.123 26 H GLU 4 HN GLU 4 5.618 5.026 2.531 27 HA GLU 4 HA GLU 4 6.542 4.913 5.086 28 1HB GLU 4 2HB GLU 4 4.453 6.184 3.714 29 2HB GLU 4 3HB GLU 4 3.621 5.262 4.951 30 1HG GLU 4 2HG GLU 4 6.073 6.826 5.759 31 2HG GLU 4 3HG GLU 4 4.596 7.716 5.446 32 H GLU 5 HN GLU 5 3.981 2.911 3.503 33 HA GLU 5 HA GLU 5 3.310 1.545 5.847 34 1HB GLU 5 2HB GLU 5 2.657 1.417 2.974 35 2HB GLU 5 3HB GLU 5 2.670 -0.166 3.726 36 1HG GLU 5 2HG GLU 5 1.344 1.460 5.609 37 2HG GLU 5 3HG GLU 5 0.753 2.041 4.065 38 H LEU 6 HN LEU 6 5.820 1.124 3.361 39 HA LEU 6 HA LEU 6 6.452 -1.546 3.936 40 1HB LEU 6 2HB LEU 6 7.905 0.745 2.648 41 2HB LEU 6 3HB LEU 6 8.711 -0.785 2.929 42 HG LEU 6 HG LEU 6 6.100 -0.629 1.420 43 1HD1 LEU 6 1HD1 LEU 6 7.774 -0.857 -0.613 44 2HD1 LEU 6 2HD1 LEU 6 7.281 0.733 0.016 45 3HD1 LEU 6 3HD1 LEU 6 8.855 0.042 0.478 46 1HD2 LEU 6 1HD2 LEU 6 7.138 -2.810 2.385 47 2HD2 LEU 6 2HD2 LEU 6 6.532 -2.789 0.711 48 3HD2 LEU 6 3HD2 LEU 6 8.279 -2.660 1.026 49 H LYS 7 HN LYS 7 7.435 1.589 5.372 50 HA LYS 7 HA LYS 7 9.537 0.609 6.915 51 1HB LYS 7 2HB LYS 7 8.766 3.038 6.361 52 2HB LYS 7 3HB LYS 7 7.760 2.879 7.786 53 1HG LYS 7 2HG LYS 7 9.604 3.531 8.958 54 2HG LYS 7 3HG LYS 7 10.179 1.893 8.716 55 1HD LYS 7 2HD LYS 7 11.989 3.048 7.835 56 2HD LYS 7 3HD LYS 7 11.033 2.881 6.376 57 1HE LYS 7 2HE LYS 7 9.939 5.174 7.147 58 2HE LYS 7 3HE LYS 7 11.376 5.323 8.140 59 1HZ LYS 7 1HZ LYS 7 11.738 4.598 5.358 60 2HZ LYS 7 2HZ LYS 7 11.331 6.145 5.690 61 3HZ LYS 7 3HZ LYS 7 12.691 5.503 6.328 62 H GLY 8 HN GLY 8 6.124 1.337 7.949 63 1HA GLY 8 1HA GLY 8 6.275 0.217 10.467 64 2HA GLY 8 2HA GLY 8 4.821 0.363 9.499 65 H ILE 9 HN ILE 9 5.087 -1.340 7.395 66 HA ILE 9 HA ILE 9 4.565 -3.815 8.484 67 HB ILE 9 HB ILE 9 5.173 -2.765 5.764 68 1HG1 ILE 9 2HG1 ILE 9 2.823 -4.204 7.027 69 2HG1 ILE 9 3HG1 ILE 9 2.936 -2.493 6.665 70 1HG2 ILE 9 1HG2 ILE 9 4.575 -5.270 5.076 71 2HG2 ILE 9 2HG2 ILE 9 6.250 -4.711 5.294 72 3HG2 ILE 9 3HG2 ILE 9 5.437 -5.613 6.595 73 1HD1 ILE 9 1HD1 ILE 9 3.475 -3.410 4.193 74 2HD1 ILE 9 2HD1 ILE 9 2.561 -4.815 4.793 75 3HD1 ILE 9 3HD1 ILE 9 1.803 -3.204 4.769 76 H PHE 10 HN PHE 10 7.613 -2.595 6.944 77 HA PHE 10 HA PHE 10 9.093 -4.876 7.129 78 1HB PHE 10 2HB PHE 10 9.966 -2.902 6.028 79 2HB PHE 10 3HB PHE 10 9.627 -1.882 7.412 80 HD1 PHE 10 HD1 PHE 10 11.107 -1.957 9.397 81 HD2 PHE 10 HD2 PHE 10 12.023 -4.115 5.860 82 HE1 PHE 10 HE1 PHE 10 13.482 -2.212 10.168 83 HE2 PHE 10 HE2 PHE 10 14.398 -4.371 6.630 84 HZ PHE 10 HZ PHE 10 15.099 -3.416 8.775 85 H GLU 11 HN GLU 11 8.885 -2.221 9.610 86 HA GLU 11 HA GLU 11 10.494 -3.539 11.439 87 1HB GLU 11 2HB GLU 11 9.196 -1.059 11.253 88 2HB GLU 11 3HB GLU 11 8.453 -1.801 12.655 89 1HG GLU 11 2HG GLU 11 11.241 -2.364 12.874 90 2HG GLU 11 3HG GLU 11 11.134 -0.686 12.378 91 H LYS 12 HN LYS 12 6.969 -3.631 10.799 92 HA LYS 12 HA LYS 12 6.150 -4.890 13.120 93 1HB LYS 12 2HB LYS 12 4.910 -3.928 10.936 94 2HB LYS 12 3HB LYS 12 4.848 -5.634 10.544 95 1HG LYS 12 2HG LYS 12 3.896 -6.057 12.875 96 2HG LYS 12 3HG LYS 12 3.812 -4.321 13.099 97 1HD LYS 12 2HD LYS 12 2.573 -4.643 10.625 98 2HD LYS 12 3HD LYS 12 2.081 -6.097 11.470 99 1HE LYS 12 2HE LYS 12 0.722 -4.948 12.912 100 2HE LYS 12 3HE LYS 12 1.906 -3.683 13.172 101 1HZ LYS 12 1HZ LYS 12 -0.313 -3.643 11.496 102 2HZ LYS 12 2HZ LYS 12 0.738 -2.433 11.814 103 3HZ LYS 12 3HZ LYS 12 1.019 -3.453 10.570 104 H TYR 13 HN TYR 13 7.895 -6.115 10.281 105 HA TYR 13 HA TYR 13 7.546 -8.856 11.209 106 1HB TYR 13 2HB TYR 13 8.553 -7.318 8.781 107 2HB TYR 13 3HB TYR 13 9.174 -8.941 9.009 108 HD1 TYR 13 HD1 TYR 13 7.991 -10.754 8.134 109 HD2 TYR 13 HD2 TYR 13 5.925 -7.076 8.849 110 HE1 TYR 13 HE1 TYR 13 5.908 -11.699 7.024 111 HE2 TYR 13 HE2 TYR 13 3.850 -8.034 7.736 112 HH TYR 13 HH TYR 13 2.965 -10.526 7.422 113 H ALA 14 HN ALA 14 9.981 -6.249 10.936 114 HA ALA 14 HA ALA 14 12.208 -7.895 11.487 115 1HB ALA 14 1HB ALA 14 12.076 -4.965 12.184 116 2HB ALA 14 2HB ALA 14 13.406 -5.896 11.456 117 3HB ALA 14 3HB ALA 14 11.981 -5.468 10.479 118 H ALA 15 HN ALA 15 9.652 -6.441 13.433 119 HA ALA 15 HA ALA 15 11.158 -6.720 15.883 120 1HB ALA 15 1HB ALA 15 9.222 -5.000 15.087 121 2HB ALA 15 2HB ALA 15 8.216 -6.226 15.894 122 3HB ALA 15 3HB ALA 15 9.517 -5.410 16.794 123 H LYS 16 HN LYS 16 9.110 -8.629 13.804 124 HA LYS 16 HA LYS 16 7.831 -10.263 15.612 125 1HB LYS 16 2HB LYS 16 8.345 -10.188 12.801 126 2HB LYS 16 3HB LYS 16 8.679 -11.813 13.363 127 1HG LYS 16 2HG LYS 16 6.355 -11.864 12.902 128 2HG LYS 16 3HG LYS 16 6.416 -11.659 14.642 129 1HD LYS 16 2HD LYS 16 6.278 -9.110 14.206 130 2HD LYS 16 3HD LYS 16 5.891 -9.510 12.544 131 1HE LYS 16 2HE LYS 16 4.280 -11.051 14.492 132 2HE LYS 16 3HE LYS 16 4.056 -9.320 14.649 133 1HZ LYS 16 1HZ LYS 16 2.778 -9.438 12.880 134 2HZ LYS 16 2HZ LYS 16 4.056 -9.865 11.959 135 3HZ LYS 16 3HZ LYS 16 3.119 -11.016 12.638 136 H GLU 17 HN GLU 17 10.945 -11.043 13.899 137 HA GLU 17 HA GLU 17 11.645 -12.534 16.309 138 1HB GLU 17 2HB GLU 17 12.105 -13.150 13.378 139 2HB GLU 17 3HB GLU 17 13.153 -13.844 14.599 140 1HG GLU 17 2HG GLU 17 10.542 -14.245 15.610 141 2HG GLU 17 3HG GLU 17 10.394 -14.563 13.893 142 H GLY 18 HN GLY 18 13.513 -11.927 17.350 143 1HA GLY 18 1HA GLY 18 15.487 -10.920 17.747 144 2HA GLY 18 2HA GLY 18 15.784 -10.892 16.020 145 H ASP 19 HN ASP 19 16.763 -8.722 17.108 146 HA ASP 19 HA ASP 19 15.076 -6.686 17.802 147 1HB ASP 19 2HB ASP 19 17.751 -6.955 17.667 148 2HB ASP 19 3HB ASP 19 17.536 -6.101 16.152 149 HA PRO 20 HA PRO 20 13.350 -5.669 13.887 150 1HB PRO 20 2HB PRO 20 12.183 -3.276 14.505 151 2HB PRO 20 3HB PRO 20 11.442 -4.824 14.861 152 1HG PRO 20 2HG PRO 20 12.768 -2.935 16.709 153 2HG PRO 20 3HG PRO 20 11.670 -4.248 17.083 154 1HD PRO 20 2HD PRO 20 14.519 -4.248 17.412 155 2HD PRO 20 3HD PRO 20 13.434 -5.599 17.676 156 H ASN 21 HN ASN 21 15.972 -4.224 15.218 157 HA ASN 21 HA ASN 21 16.145 -2.187 13.207 158 1HB ASN 21 2HB ASN 21 17.894 -3.074 15.538 159 2HB ASN 21 3HB ASN 21 18.527 -1.962 14.341 160 1HD2 ASN 21 1HD2 ASN 21 16.489 -2.406 17.049 161 2HD2 ASN 21 2HD2 ASN 21 15.904 -0.786 17.230 162 H GLN 22 HN GLN 22 16.461 -5.470 13.177 163 HA GLN 22 HA GLN 22 18.347 -5.363 11.020 164 1HB GLN 22 2HB GLN 22 19.553 -7.438 12.066 165 2HB GLN 22 3HB GLN 22 19.997 -5.835 12.618 166 1HG GLN 22 2HG GLN 22 17.775 -6.641 14.228 167 2HG GLN 22 3HG GLN 22 18.838 -8.031 14.137 168 1HE2 GLN 22 1HE2 GLN 22 19.536 -7.932 16.215 169 2HE2 GLN 22 2HE2 GLN 22 20.570 -6.694 16.846 170 H LEU 23 HN LEU 23 17.722 -6.761 9.395 171 HA LEU 23 HA LEU 23 15.387 -8.374 9.939 172 1HB LEU 23 2HB LEU 23 16.764 -7.273 7.550 173 2HB LEU 23 3HB LEU 23 15.881 -8.771 7.334 174 HG LEU 23 HG LEU 23 14.757 -6.402 6.960 175 1HD1 LEU 23 1HD1 LEU 23 13.353 -8.740 8.284 176 2HD1 LEU 23 2HD1 LEU 23 12.563 -7.429 7.374 177 3HD1 LEU 23 3HD1 LEU 23 13.677 -8.542 6.544 178 1HD2 LEU 23 1HD2 LEU 23 13.551 -5.551 8.842 179 2HD2 LEU 23 2HD2 LEU 23 14.114 -6.883 9.879 180 3HD2 LEU 23 3HD2 LEU 23 15.269 -5.662 9.293 181 H SER 24 HN SER 24 15.288 -10.658 9.076 182 HA SER 24 HA SER 24 17.894 -11.925 9.139 183 1HB SER 24 2HB SER 24 15.551 -13.040 10.726 184 2HB SER 24 3HB SER 24 17.217 -13.581 10.760 185 HG SER 24 HG SER 24 17.841 -11.707 11.864 186 H LYS 25 HN LYS 25 17.715 -14.294 8.363 187 HA LYS 25 HA LYS 25 16.445 -14.383 5.921 188 1HB LYS 25 2HB LYS 25 18.377 -15.781 6.710 189 2HB LYS 25 3HB LYS 25 17.248 -16.753 7.632 190 1HG LYS 25 2HG LYS 25 15.944 -17.025 5.376 191 2HG LYS 25 3HG LYS 25 17.403 -16.426 4.613 192 1HD LYS 25 2HD LYS 25 17.371 -18.803 6.530 193 2HD LYS 25 3HD LYS 25 17.237 -18.969 4.791 194 1HE LYS 25 2HE LYS 25 19.445 -18.082 4.422 195 2HE LYS 25 3HE LYS 25 19.549 -17.440 6.049 196 1HZ LYS 25 1HZ LYS 25 19.220 -20.309 5.615 197 2HZ LYS 25 2HZ LYS 25 20.699 -19.622 5.534 198 3HZ LYS 25 3HZ LYS 25 19.834 -19.538 6.917 199 H GLU 26 HN GLU 26 15.448 -16.005 9.019 200 HA GLU 26 HA GLU 26 13.078 -16.974 7.990 201 1HB GLU 26 2HB GLU 26 14.437 -16.910 10.515 202 2HB GLU 26 3HB GLU 26 12.790 -16.387 10.807 203 1HG GLU 26 2HG GLU 26 12.484 -18.553 9.038 204 2HG GLU 26 3HG GLU 26 13.801 -19.060 10.077 205 H GLU 27 HN GLU 27 13.892 -13.865 9.617 206 HA GLU 27 HA GLU 27 11.301 -12.972 9.921 207 1HB GLU 27 2HB GLU 27 14.027 -11.778 9.915 208 2HB GLU 27 3HB GLU 27 12.737 -10.648 9.552 209 1HG GLU 27 2HG GLU 27 11.562 -11.843 11.655 210 2HG GLU 27 3HG GLU 27 13.217 -12.238 12.072 211 H LEU 28 HN LEU 28 13.706 -12.152 7.311 212 HA LEU 28 HA LEU 28 11.989 -10.665 5.754 213 1HB LEU 28 2HB LEU 28 14.541 -11.084 5.638 214 2HB LEU 28 3HB LEU 28 14.124 -12.434 4.601 215 HG LEU 28 HG LEU 28 13.651 -11.118 2.836 216 1HD1 LEU 28 1HD1 LEU 28 12.546 -8.987 4.687 217 2HD1 LEU 28 2HD1 LEU 28 12.460 -8.988 2.909 218 3HD1 LEU 28 3HD1 LEU 28 11.601 -10.236 3.843 219 1HD2 LEU 28 1HD2 LEU 28 15.272 -9.561 2.569 220 2HD2 LEU 28 2HD2 LEU 28 14.888 -8.729 4.095 221 3HD2 LEU 28 3HD2 LEU 28 15.837 -10.235 4.117 222 H LYS 29 HN LYS 29 12.599 -14.227 5.773 223 HA LYS 29 HA LYS 29 11.226 -15.032 3.618 224 1HB LYS 29 2HB LYS 29 12.389 -16.533 5.151 225 2HB LYS 29 3HB LYS 29 11.177 -16.265 6.388 226 1HG LYS 29 2HG LYS 29 9.437 -17.294 5.006 227 2HG LYS 29 3HG LYS 29 10.514 -17.383 3.626 228 1HD LYS 29 2HD LYS 29 11.924 -19.034 4.716 229 2HD LYS 29 3HD LYS 29 11.136 -18.785 6.261 230 1HE LYS 29 2HE LYS 29 9.149 -19.899 5.581 231 2HE LYS 29 3HE LYS 29 9.492 -19.683 3.876 232 1HZ LYS 29 1HZ LYS 29 10.131 -21.811 4.151 233 2HZ LYS 29 2HZ LYS 29 11.560 -21.115 4.526 234 3HZ LYS 29 3HZ LYS 29 10.569 -21.637 5.715 235 H LEU 30 HN LEU 30 9.727 -14.312 6.848 236 HA LEU 30 HA LEU 30 7.118 -14.766 6.100 237 1HB LEU 30 2HB LEU 30 8.186 -12.743 8.074 238 2HB LEU 30 3HB LEU 30 6.533 -13.321 7.993 239 HG LEU 30 HG LEU 30 9.007 -14.785 8.884 240 1HD1 LEU 30 1HD1 LEU 30 6.753 -15.339 10.492 241 2HD1 LEU 30 2HD1 LEU 30 8.165 -14.328 10.883 242 3HD1 LEU 30 3HD1 LEU 30 6.719 -13.593 10.149 243 1HD2 LEU 30 1HD2 LEU 30 7.444 -16.832 9.026 244 2HD2 LEU 30 2HD2 LEU 30 6.475 -15.994 7.790 245 3HD2 LEU 30 3HD2 LEU 30 8.170 -16.422 7.454 246 H LEU 31 HN LEU 31 8.899 -11.595 6.128 247 HA LEU 31 HA LEU 31 6.907 -10.068 5.045 248 1HB LEU 31 2HB LEU 31 9.298 -9.531 5.954 249 2HB LEU 31 3HB LEU 31 9.771 -9.654 4.271 250 HG LEU 31 HG LEU 31 7.520 -7.983 4.244 251 1HD1 LEU 31 1HD1 LEU 31 7.506 -7.597 6.575 252 2HD1 LEU 31 2HD1 LEU 31 9.275 -7.410 6.636 253 3HD1 LEU 31 3HD1 LEU 31 8.276 -6.168 5.845 254 1HD2 LEU 31 1HD2 LEU 31 9.038 -7.300 2.734 255 2HD2 LEU 31 2HD2 LEU 31 9.593 -6.241 4.053 256 3HD2 LEU 31 3HD2 LEU 31 10.423 -7.785 3.743 257 H LEU 32 HN LEU 32 9.660 -11.518 3.159 258 HA LEU 32 HA LEU 32 8.711 -10.956 0.673 259 1HB LEU 32 2HB LEU 32 10.185 -13.451 1.529 260 2HB LEU 32 3HB LEU 32 10.084 -12.818 -0.102 261 HG LEU 32 HG LEU 32 11.347 -11.328 2.214 262 1HD1 LEU 32 1HD1 LEU 32 12.568 -13.171 0.157 263 2HD1 LEU 32 2HD1 LEU 32 13.511 -11.934 1.024 264 3HD1 LEU 32 3HD1 LEU 32 12.702 -13.234 1.931 265 1HD2 LEU 32 1HD2 LEU 32 10.488 -9.939 0.336 266 2HD2 LEU 32 2HD2 LEU 32 12.251 -9.843 0.555 267 3HD2 LEU 32 3HD2 LEU 32 11.570 -10.825 -0.764 268 H GLN 33 HN GLN 33 7.422 -13.188 3.044 269 HA GLN 33 HA GLN 33 6.097 -14.857 1.222 270 1HB GLN 33 2HB GLN 33 6.579 -14.893 3.936 271 2HB GLN 33 3HB GLN 33 4.875 -14.487 3.911 272 1HG GLN 33 2HG GLN 33 4.586 -16.456 2.244 273 2HG GLN 33 3HG GLN 33 6.218 -16.926 2.674 274 1HE2 GLN 33 1HE2 GLN 33 6.701 -17.633 4.744 275 2HE2 GLN 33 2HE2 GLN 33 5.495 -18.165 5.868 276 H THR 34 HN THR 34 4.811 -12.264 3.438 277 HA THR 34 HA THR 34 2.380 -12.138 1.878 278 HB THR 34 HB THR 34 3.409 -11.269 4.530 279 HG1 THR 34 HG1 THR 34 0.879 -11.895 3.182 280 1HG2 THR 34 1HG2 THR 34 1.444 -9.564 2.917 281 2HG2 THR 34 2HG2 THR 34 1.522 -9.546 4.695 282 3HG2 THR 34 3HG2 THR 34 2.922 -9.006 3.737 283 H GLU 35 HN GLU 35 5.179 -9.968 2.620 284 HA GLU 35 HA GLU 35 4.361 -7.784 1.284 285 1HB GLU 35 2HB GLU 35 6.422 -7.756 2.529 286 2HB GLU 35 3HB GLU 35 7.130 -9.015 1.537 287 1HG GLU 35 2HG GLU 35 8.086 -6.907 0.817 288 2HG GLU 35 3HG GLU 35 7.008 -7.451 -0.454 289 H PHE 36 HN PHE 36 6.343 -10.480 -0.157 290 HA PHE 36 HA PHE 36 4.904 -10.136 -2.637 291 1HB PHE 36 2HB PHE 36 7.900 -9.654 -2.173 292 2HB PHE 36 3HB PHE 36 7.288 -10.055 -3.766 293 HD1 PHE 36 HD1 PHE 36 8.547 -7.437 -2.213 294 HD2 PHE 36 HD2 PHE 36 4.840 -8.508 -3.981 295 HE1 PHE 36 HE1 PHE 36 8.045 -5.014 -2.631 296 HE2 PHE 36 HE2 PHE 36 4.339 -6.085 -4.399 297 HZ PHE 36 HZ PHE 36 5.948 -4.366 -3.719 298 HA PRO 37 HA PRO 37 5.911 -14.420 -1.822 299 1HB PRO 37 2HB PRO 37 3.507 -15.464 -2.596 300 2HB PRO 37 3HB PRO 37 3.863 -15.002 -0.944 301 1HG PRO 37 2HG PRO 37 2.188 -13.605 -2.938 302 2HG PRO 37 3HG PRO 37 2.218 -13.406 -1.198 303 1HD PRO 37 2HD PRO 37 3.382 -11.652 -3.146 304 2HD PRO 37 3HD PRO 37 3.511 -11.516 -1.404 305 H SER 38 HN SER 38 5.597 -12.554 -4.450 306 HA SER 38 HA SER 38 5.711 -14.781 -6.283 307 1HB SER 38 2HB SER 38 4.358 -12.600 -6.660 308 2HB SER 38 3HB SER 38 5.897 -11.828 -6.983 309 HG SER 38 HG SER 38 5.654 -12.550 -8.979 310 H LEU 39 HN LEU 39 7.718 -12.250 -4.780 311 HA LEU 39 HA LEU 39 9.905 -12.489 -6.547 312 1HB LEU 39 2HB LEU 39 9.161 -10.982 -4.235 313 2HB LEU 39 3HB LEU 39 10.756 -11.658 -3.969 314 HG LEU 39 HG LEU 39 10.637 -9.339 -4.997 315 1HD1 LEU 39 1HD1 LEU 39 12.473 -11.373 -5.277 316 2HD1 LEU 39 2HD1 LEU 39 12.213 -10.839 -6.955 317 3HD1 LEU 39 3HD1 LEU 39 12.724 -9.667 -5.716 318 1HD2 LEU 39 1HD2 LEU 39 10.471 -10.104 -7.724 319 2HD2 LEU 39 2HD2 LEU 39 9.021 -10.731 -6.903 320 3HD2 LEU 39 3HD2 LEU 39 9.415 -8.997 -6.813 321 H LEU 40 HN LEU 40 8.625 -14.485 -3.987 322 HA LEU 40 HA LEU 40 11.105 -15.725 -3.326 323 1HB LEU 40 2HB LEU 40 8.220 -16.417 -2.781 324 2HB LEU 40 3HB LEU 40 9.564 -17.390 -2.217 325 HG LEU 40 HG LEU 40 9.064 -14.489 -1.493 326 1HD1 LEU 40 1HD1 LEU 40 7.734 -15.197 0.131 327 2HD1 LEU 40 2HD1 LEU 40 7.874 -16.858 -0.494 328 3HD1 LEU 40 3HD1 LEU 40 9.010 -16.274 0.746 329 1HD2 LEU 40 1HD2 LEU 40 10.878 -15.737 0.295 330 2HD2 LEU 40 2HD2 LEU 40 11.451 -16.060 -1.358 331 3HD2 LEU 40 3HD2 LEU 40 11.174 -14.385 -0.825 332 H LYS 41 HN LYS 41 8.576 -16.136 -5.774 333 HA LYS 41 HA LYS 41 9.232 -18.787 -6.463 334 1HB LYS 41 2HB LYS 41 7.631 -18.568 -8.081 335 2HB LYS 41 3HB LYS 41 7.140 -17.282 -6.997 336 1HG LYS 41 2HG LYS 41 7.189 -16.025 -8.925 337 2HG LYS 41 3HG LYS 41 8.888 -15.873 -8.525 338 1HD LYS 41 2HD LYS 41 9.299 -17.985 -9.932 339 2HD LYS 41 3HD LYS 41 7.635 -17.864 -10.467 340 1HE LYS 41 2HE LYS 41 8.383 -15.318 -10.994 341 2HE LYS 41 3HE LYS 41 9.967 -16.062 -11.089 342 1HZ LYS 41 1HZ LYS 41 8.124 -17.653 -12.450 343 2HZ LYS 41 2HZ LYS 41 7.979 -16.117 -12.987 344 3HZ LYS 41 3HZ LYS 41 9.427 -16.870 -13.046 345 H GLY 42 HN GLY 42 10.580 -15.597 -7.264 346 1HA GLY 42 1HA GLY 42 11.930 -15.963 -9.568 347 2HA GLY 42 2HA GLY 42 12.580 -15.095 -8.192 348 H MET 43 HN MET 43 14.354 -16.377 -9.890 349 HA MET 43 HA MET 43 14.871 -19.011 -9.008 350 1HB MET 43 2HB MET 43 16.595 -16.971 -10.523 351 2HB MET 43 3HB MET 43 16.993 -18.671 -10.368 352 1HG MET 43 2HG MET 43 15.599 -19.227 -12.077 353 2HG MET 43 3HG MET 43 14.251 -18.401 -11.323 354 1HE MET 43 1HE MET 43 14.505 -18.705 -14.185 355 2HE MET 43 2HE MET 43 13.331 -17.399 -13.895 356 3HE MET 43 3HE MET 43 14.642 -17.171 -15.077 357 H SER 44 HN SER 44 15.201 -16.073 -7.440 358 HA SER 44 HA SER 44 17.754 -16.671 -6.261 359 1HB SER 44 2HB SER 44 15.777 -14.408 -5.732 360 2HB SER 44 3HB SER 44 17.374 -14.525 -5.019 361 HG SER 44 HG SER 44 18.176 -14.610 -7.333 362 H THR 45 HN THR 45 17.573 -18.460 -4.892 363 HA THR 45 HA THR 45 15.279 -18.975 -3.330 364 HB THR 45 HB THR 45 16.805 -20.706 -2.327 365 HG1 THR 45 HG1 THR 45 19.051 -20.562 -3.213 366 1HG2 THR 45 1HG2 THR 45 15.980 -21.472 -4.448 367 2HG2 THR 45 2HG2 THR 45 16.924 -20.256 -5.341 368 3HG2 THR 45 3HG2 THR 45 17.747 -21.639 -4.582 369 H LEU 46 HN LEU 46 15.468 -19.275 -0.851 370 HA LEU 46 HA LEU 46 15.555 -16.780 0.285 371 1HB LEU 46 2HB LEU 46 14.603 -19.091 1.064 372 2HB LEU 46 3HB LEU 46 16.141 -19.240 1.890 373 HG LEU 46 HG LEU 46 15.713 -17.377 3.284 374 1HD1 LEU 46 1HD1 LEU 46 14.886 -15.638 2.057 375 2HD1 LEU 46 2HD1 LEU 46 13.687 -16.647 1.214 376 3HD1 LEU 46 3HD1 LEU 46 13.401 -16.146 2.898 377 1HD2 LEU 46 1HD2 LEU 46 14.541 -19.396 3.960 378 2HD2 LEU 46 2HD2 LEU 46 13.588 -17.953 4.381 379 3HD2 LEU 46 3HD2 LEU 46 13.134 -18.939 2.970 380 H ASP 47 HN ASP 47 18.021 -19.405 0.811 381 HA ASP 47 HA ASP 47 19.827 -18.004 2.160 382 1HB ASP 47 2HB ASP 47 19.782 -20.416 0.722 383 2HB ASP 47 3HB ASP 47 21.106 -19.538 -0.019 384 H GLU 48 HN GLU 48 19.566 -18.240 -1.467 385 HA GLU 48 HA GLU 48 21.682 -16.626 -2.082 386 1HB GLU 48 2HB GLU 48 19.381 -17.769 -3.442 387 2HB GLU 48 3HB GLU 48 19.656 -16.142 -4.033 388 1HG GLU 48 2HG GLU 48 22.225 -16.985 -4.054 389 2HG GLU 48 3HG GLU 48 21.455 -18.553 -4.194 390 H LEU 49 HN LEU 49 18.228 -15.754 -1.449 391 HA LEU 49 HA LEU 49 18.566 -13.017 -1.997 392 1HB LEU 49 2HB LEU 49 16.466 -14.684 -1.601 393 2HB LEU 49 3HB LEU 49 16.497 -13.850 -0.059 394 HG LEU 49 HG LEU 49 16.636 -11.695 -1.614 395 1HD1 LEU 49 1HD1 LEU 49 16.246 -13.765 -3.521 396 2HD1 LEU 49 2HD1 LEU 49 14.747 -12.808 -3.444 397 3HD1 LEU 49 3HD1 LEU 49 16.299 -12.005 -3.781 398 1HD2 LEU 49 1HD2 LEU 49 13.893 -12.310 -1.709 399 2HD2 LEU 49 2HD2 LEU 49 14.536 -13.146 -0.275 400 3HD2 LEU 49 3HD2 LEU 49 14.766 -11.391 -0.460 401 H PHE 50 HN PHE 50 18.763 -14.995 1.016 402 HA PHE 50 HA PHE 50 19.061 -12.888 2.784 403 1HB PHE 50 2HB PHE 50 18.725 -15.433 3.162 404 2HB PHE 50 3HB PHE 50 20.425 -15.645 2.791 405 HD1 PHE 50 HD1 PHE 50 18.483 -13.290 4.957 406 HD2 PHE 50 HD2 PHE 50 21.683 -16.062 4.665 407 HE1 PHE 50 HE1 PHE 50 19.060 -12.878 7.365 408 HE2 PHE 50 HE2 PHE 50 22.259 -15.650 7.073 409 HZ PHE 50 HZ PHE 50 20.941 -14.063 8.394 410 H GLU 51 HN GLU 51 21.614 -14.880 1.128 411 HA GLU 51 HA GLU 51 23.695 -13.351 2.205 412 1HB GLU 51 2HB GLU 51 23.387 -15.681 0.537 413 2HB GLU 51 3HB GLU 51 24.515 -14.599 -0.257 414 1HG GLU 51 2HG GLU 51 25.398 -14.435 2.354 415 2HG GLU 51 3HG GLU 51 24.802 -16.082 2.315 416 H GLU 52 HN GLU 52 21.779 -13.201 -0.824 417 HA GLU 52 HA GLU 52 23.424 -11.399 -2.142 418 1HB GLU 52 2HB GLU 52 21.691 -12.686 -3.301 419 2HB GLU 52 3HB GLU 52 20.427 -11.913 -2.366 420 1HG GLU 52 2HG GLU 52 21.216 -9.672 -3.330 421 2HG GLU 52 3HG GLU 52 22.275 -10.576 -4.394 422 H LEU 53 HN LEU 53 20.394 -10.860 -0.202 423 HA LEU 53 HA LEU 53 20.406 -8.096 -0.398 424 1HB LEU 53 2HB LEU 53 19.368 -9.842 1.838 425 2HB LEU 53 3HB LEU 53 18.937 -8.166 1.562 426 HG LEU 53 HG LEU 53 18.472 -10.157 -0.632 427 1HD1 LEU 53 1HD1 LEU 53 17.297 -11.449 0.788 428 2HD1 LEU 53 2HD1 LEU 53 17.144 -10.163 2.009 429 3HD1 LEU 53 3HD1 LEU 53 16.059 -10.184 0.598 430 1HD2 LEU 53 1HD2 LEU 53 17.407 -8.457 -1.578 431 2HD2 LEU 53 2HD2 LEU 53 16.360 -8.261 -0.152 432 3HD2 LEU 53 3HD2 LEU 53 17.928 -7.422 -0.226 433 H ASP 54 HN ASP 54 21.807 -10.258 2.157 434 HA ASP 54 HA ASP 54 22.909 -8.064 3.533 435 1HB ASP 54 2HB ASP 54 22.337 -10.316 4.539 436 2HB ASP 54 3HB ASP 54 23.670 -11.021 3.647 437 H LYS 55 HN LYS 55 24.439 -6.857 2.334 438 HA LYS 55 HA LYS 55 26.623 -8.409 1.126 439 1HB LYS 55 2HB LYS 55 25.021 -7.093 -0.406 440 2HB LYS 55 3HB LYS 55 25.774 -5.650 0.241 441 1HG LYS 55 2HG LYS 55 27.650 -5.952 -1.013 442 2HG LYS 55 3HG LYS 55 27.807 -7.623 -0.508 443 1HD LYS 55 2HD LYS 55 27.324 -8.075 -2.705 444 2HD LYS 55 3HD LYS 55 25.663 -7.864 -2.188 445 1HE LYS 55 2HE LYS 55 25.427 -5.871 -3.307 446 2HE LYS 55 3HE LYS 55 27.027 -5.311 -2.859 447 1HZ LYS 55 1HZ LYS 55 26.241 -6.948 -5.120 448 2HZ LYS 55 2HZ LYS 55 27.288 -5.696 -5.060 449 3HZ LYS 55 3HZ LYS 55 27.738 -7.164 -4.505 450 H ASN 56 HN ASN 56 25.670 -6.410 3.692 451 HA ASN 56 HA ASN 56 28.161 -4.999 3.831 452 1HB ASN 56 2HB ASN 56 27.163 -4.163 6.040 453 2HB ASN 56 3HB ASN 56 26.206 -3.791 4.619 454 1HD2 ASN 56 1HD2 ASN 56 24.588 -3.555 6.381 455 2HD2 ASN 56 2HD2 ASN 56 23.639 -4.935 6.823 456 H GLY 57 HN GLY 57 27.605 -8.125 4.118 457 1HA GLY 57 1HA GLY 57 28.151 -9.838 5.513 458 2HA GLY 57 2HA GLY 57 29.674 -8.972 5.559 459 H ASP 58 HN ASP 58 26.367 -8.781 7.072 460 HA ASP 58 HA ASP 58 27.758 -8.395 9.601 461 1HB ASP 58 2HB ASP 58 25.193 -7.017 8.674 462 2HB ASP 58 3HB ASP 58 25.866 -6.881 10.286 463 H GLY 59 HN GLY 59 24.578 -9.089 7.958 464 1HA GLY 59 1HA GLY 59 23.637 -11.305 8.296 465 2HA GLY 59 2HA GLY 59 24.084 -11.187 9.986 466 H GLU 60 HN GLU 60 22.853 -8.370 8.176 467 HA GLU 60 HA GLU 60 20.208 -8.798 9.214 468 1HB GLU 60 2HB GLU 60 20.137 -6.590 10.360 469 2HB GLU 60 3HB GLU 60 21.287 -7.680 11.106 470 1HG GLU 60 2HG GLU 60 22.841 -6.398 9.168 471 2HG GLU 60 3HG GLU 60 21.764 -5.120 9.696 472 H VAL 61 HN VAL 61 18.716 -8.095 7.726 473 HA VAL 61 HA VAL 61 19.763 -6.498 5.517 474 HB VAL 61 HB VAL 61 17.326 -8.251 5.854 475 1HG1 VAL 61 1HG1 VAL 61 16.352 -7.363 4.045 476 2HG1 VAL 61 2HG1 VAL 61 17.492 -6.006 4.207 477 3HG1 VAL 61 3HG1 VAL 61 17.877 -7.369 3.129 478 1HG2 VAL 61 1HG2 VAL 61 19.490 -8.613 3.795 479 2HG2 VAL 61 2HG2 VAL 61 19.747 -9.170 5.466 480 3HG2 VAL 61 3HG2 VAL 61 18.391 -9.815 4.512 481 H SER 62 HN SER 62 19.753 -4.691 7.288 482 HA SER 62 HA SER 62 17.478 -3.695 8.351 483 1HB SER 62 2HB SER 62 19.115 -1.490 7.426 484 2HB SER 62 3HB SER 62 18.918 -2.104 9.056 485 HG SER 62 HG SER 62 20.806 -2.978 7.051 486 H PHE 63 HN PHE 63 16.672 -1.264 7.586 487 HA PHE 63 HA PHE 63 15.065 -1.712 5.379 488 1HB PHE 63 2HB PHE 63 14.841 -0.024 7.311 489 2HB PHE 63 3HB PHE 63 16.117 0.924 6.572 490 HD1 PHE 63 HD1 PHE 63 15.703 2.207 4.548 491 HD2 PHE 63 HD2 PHE 63 12.615 -0.098 6.327 492 HE1 PHE 63 HE1 PHE 63 13.998 3.424 3.166 493 HE2 PHE 63 HE2 PHE 63 10.910 1.119 4.944 494 HZ PHE 63 HZ PHE 63 11.622 2.866 3.380 495 H GLU 64 HN GLU 64 18.418 -0.749 5.573 496 HA GLU 64 HA GLU 64 18.514 0.747 3.218 497 1HB GLU 64 2HB GLU 64 20.892 -0.856 4.135 498 2HB GLU 64 3HB GLU 64 20.826 0.798 3.557 499 1HG GLU 64 2HG GLU 64 20.145 -0.278 6.303 500 2HG GLU 64 3HG GLU 64 21.191 1.063 5.879 501 H GLU 65 HN GLU 65 19.504 -2.688 3.913 502 HA GLU 65 HA GLU 65 20.066 -3.312 1.292 503 1HB GLU 65 2HB GLU 65 19.148 -5.073 3.605 504 2HB GLU 65 3HB GLU 65 19.731 -5.713 2.081 505 1HG GLU 65 2HG GLU 65 21.889 -4.441 2.410 506 2HG GLU 65 3HG GLU 65 21.304 -3.901 3.972 507 H PHE 66 HN PHE 66 16.997 -3.027 3.020 508 HA PHE 66 HA PHE 66 15.411 -4.638 1.411 509 1HB PHE 66 2HB PHE 66 14.923 -3.412 3.644 510 2HB PHE 66 3HB PHE 66 14.764 -1.931 2.721 511 HD1 PHE 66 HD1 PHE 66 12.671 -1.305 1.957 512 HD2 PHE 66 HD2 PHE 66 13.377 -5.391 2.860 513 HE1 PHE 66 HE1 PHE 66 10.245 -1.813 1.559 514 HE2 PHE 66 HE2 PHE 66 10.951 -5.898 2.462 515 HZ PHE 66 HZ PHE 66 9.414 -4.103 1.816 516 H GLN 67 HN GLN 67 16.465 -1.209 1.052 517 HA GLN 67 HA GLN 67 14.777 -0.591 -1.043 518 1HB GLN 67 2HB GLN 67 17.584 0.510 -0.598 519 2HB GLN 67 3HB GLN 67 16.268 1.305 -1.439 520 1HG GLN 67 2HG GLN 67 14.950 1.031 0.823 521 2HG GLN 67 3HG GLN 67 16.524 0.732 1.533 522 1HE2 GLN 67 1HE2 GLN 67 14.281 3.033 0.689 523 2HE2 GLN 67 2HE2 GLN 67 15.248 4.468 0.762 524 H VAL 68 HN VAL 68 17.382 -2.822 -0.897 525 HA VAL 68 HA VAL 68 18.243 -2.508 -3.612 526 HB VAL 68 HB VAL 68 18.693 -4.805 -1.702 527 1HG1 VAL 68 1HG1 VAL 68 19.448 -5.526 -3.780 528 2HG1 VAL 68 2HG1 VAL 68 19.972 -3.898 -4.272 529 3HG1 VAL 68 3HG1 VAL 68 20.916 -4.812 -3.071 530 1HG2 VAL 68 1HG2 VAL 68 19.278 -2.431 -0.843 531 2HG2 VAL 68 2HG2 VAL 68 20.521 -3.701 -0.748 532 3HG2 VAL 68 3HG2 VAL 68 20.590 -2.484 -2.044 533 H LEU 69 HN LEU 69 15.986 -4.595 -1.749 534 HA LEU 69 HA LEU 69 15.417 -6.230 -4.027 535 1HB LEU 69 2HB LEU 69 15.311 -6.729 -1.453 536 2HB LEU 69 3HB LEU 69 13.691 -6.073 -1.588 537 HG LEU 69 HG LEU 69 13.002 -7.786 -3.088 538 1HD1 LEU 69 1HD1 LEU 69 14.746 -9.616 -3.708 539 2HD1 LEU 69 2HD1 LEU 69 14.691 -8.098 -4.636 540 3HD1 LEU 69 3HD1 LEU 69 15.940 -8.334 -3.390 541 1HD2 LEU 69 1HD2 LEU 69 14.404 -9.741 -1.528 542 2HD2 LEU 69 2HD2 LEU 69 13.999 -8.347 -0.499 543 3HD2 LEU 69 3HD2 LEU 69 12.716 -9.192 -1.399 544 H VAL 70 HN VAL 70 14.206 -3.228 -2.588 545 HA VAL 70 HA VAL 70 11.665 -3.172 -3.655 546 HB VAL 70 HB VAL 70 13.706 -1.145 -2.847 547 1HG1 VAL 70 1HG1 VAL 70 11.042 -0.421 -4.116 548 2HG1 VAL 70 2HG1 VAL 70 12.200 0.706 -3.367 549 3HG1 VAL 70 3HG1 VAL 70 12.643 -0.169 -4.852 550 1HG2 VAL 70 1HG2 VAL 70 12.198 -0.673 -1.086 551 2HG2 VAL 70 2HG2 VAL 70 10.843 -1.471 -1.920 552 3HG2 VAL 70 3HG2 VAL 70 12.179 -2.444 -1.261 553 H LYS 71 HN LYS 71 14.835 -2.805 -5.196 554 HA LYS 71 HA LYS 71 13.834 -1.584 -7.555 555 1HB LYS 71 2HB LYS 71 16.277 -1.775 -6.475 556 2HB LYS 71 3HB LYS 71 16.379 -3.145 -7.561 557 1HG LYS 71 2HG LYS 71 15.245 -1.269 -9.231 558 2HG LYS 71 3HG LYS 71 16.205 -0.233 -8.193 559 1HD LYS 71 2HD LYS 71 17.345 -2.718 -9.545 560 2HD LYS 71 3HD LYS 71 17.387 -1.134 -10.292 561 1HE LYS 71 2HE LYS 71 18.570 -1.757 -7.543 562 2HE LYS 71 3HE LYS 71 19.501 -1.730 -9.027 563 1HZ LYS 71 1HZ LYS 71 18.499 0.597 -9.267 564 2HZ LYS 71 2HZ LYS 71 18.205 0.494 -7.664 565 3HZ LYS 71 3HZ LYS 71 19.736 0.381 -8.223 566 H LYS 72 HN LYS 72 14.642 -4.961 -6.554 567 HA LYS 72 HA LYS 72 13.866 -5.999 -9.103 568 1HB LYS 72 2HB LYS 72 14.612 -7.274 -6.461 569 2HB LYS 72 3HB LYS 72 14.142 -8.206 -7.868 570 1HG LYS 72 2HG LYS 72 16.397 -6.148 -7.897 571 2HG LYS 72 3HG LYS 72 16.655 -7.855 -7.597 572 1HD LYS 72 2HD LYS 72 15.159 -7.998 -9.896 573 2HD LYS 72 3HD LYS 72 15.958 -6.459 -10.149 574 1HE LYS 72 2HE LYS 72 17.638 -8.785 -9.209 575 2HE LYS 72 3HE LYS 72 17.110 -8.776 -10.880 576 1HZ LYS 72 1HZ LYS 72 18.085 -6.602 -11.125 577 2HZ LYS 72 2HZ LYS 72 18.554 -6.582 -9.561 578 3HZ LYS 72 3HZ LYS 72 19.211 -7.660 -10.596 579 H ILE 73 HN ILE 73 12.181 -4.746 -6.431 580 HA ILE 73 HA ILE 73 10.016 -6.604 -6.445 581 HB ILE 73 HB ILE 73 10.642 -3.994 -5.143 582 1HG1 ILE 73 2HG1 ILE 73 9.608 -6.584 -3.966 583 2HG1 ILE 73 3HG1 ILE 73 11.310 -6.285 -4.254 584 1HG2 ILE 73 1HG2 ILE 73 7.873 -5.228 -5.161 585 2HG2 ILE 73 2HG2 ILE 73 8.409 -3.831 -4.196 586 3HG2 ILE 73 3HG2 ILE 73 8.343 -3.714 -5.971 587 1HD1 ILE 73 1HD1 ILE 73 9.954 -4.051 -2.857 588 2HD1 ILE 73 2HD1 ILE 73 9.945 -5.582 -1.950 589 3HD1 ILE 73 3HD1 ILE 73 11.489 -4.867 -2.474 590 H SER 74 HN SER 74 10.612 -3.295 -7.792 591 HA SER 74 HA SER 74 8.074 -3.280 -9.046 592 1HB SER 74 2HB SER 74 9.481 -1.257 -8.263 593 2HB SER 74 3HB SER 74 10.445 -1.491 -9.708 594 HG SER 74 HG SER 74 8.517 0.056 -9.777 595 H GLN 75 HN GLN 75 11.483 -3.939 -10.002 596 HA GLN 75 HA GLN 75 10.899 -4.130 -12.741 597 1HB GLN 75 2HB GLN 75 13.202 -4.076 -11.144 598 2HB GLN 75 3HB GLN 75 13.227 -5.688 -11.829 599 1HG GLN 75 2HG GLN 75 13.375 -4.906 -14.041 600 2HG GLN 75 3HG GLN 75 12.605 -3.376 -13.668 601 1HE2 GLN 75 1HE2 GLN 75 13.881 -2.184 -11.791 602 2HE2 GLN 75 2HE2 GLN 75 15.572 -1.960 -12.096
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