NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15801 | 1yyj | 6560 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HT ALA 1 12.767 4.252 13.441 2 2H ALA 1 2HT ALA 1 11.228 4.812 12.991 3 3H ALA 1 3HT ALA 1 12.579 5.834 12.861 4 HA ALA 1 HA ALA 1 12.593 5.218 10.724 5 1HB ALA 1 1HB ALA 1 14.497 3.959 11.979 6 2HB ALA 1 2HB ALA 1 14.112 3.463 10.331 7 3HB ALA 1 3HB ALA 1 13.523 2.517 11.699 8 H ASP 2 H ASP 2 10.010 4.690 11.932 9 HA ASP 2 HA ASP 2 9.104 2.092 10.864 10 1HB ASP 2 2HB ASP 2 7.901 4.360 12.408 11 2HB ASP 2 1HB ASP 2 6.818 3.247 11.571 12 H LEU 3 H LEU 3 9.462 5.304 9.811 13 HA LEU 3 HA LEU 3 7.329 5.147 7.783 14 1HB LEU 3 2HB LEU 3 9.446 7.281 8.205 15 2HB LEU 3 1HB LEU 3 8.014 7.424 7.190 16 HG LEU 3 HG LEU 3 7.904 6.882 10.171 17 1HD1 LEU 3 1HD1 LEU 3 8.935 9.060 9.818 18 2HD1 LEU 3 2HD1 LEU 3 7.273 9.290 10.364 19 3HD1 LEU 3 3HD1 LEU 3 7.679 9.502 8.661 20 1HD2 LEU 3 1HD2 LEU 3 5.860 7.549 8.041 21 2HD2 LEU 3 2HD2 LEU 3 5.539 7.870 9.745 22 3HD2 LEU 3 3HD2 LEU 3 5.843 6.221 9.203 23 H GLU 4 H GLU 4 10.879 5.454 7.862 24 HA GLU 4 HA GLU 4 11.219 5.111 5.024 25 1HB GLU 4 1HB GLU 4 13.542 4.927 5.493 26 2HB GLU 4 2HB GLU 4 13.255 4.290 7.112 27 1HG GLU 4 1HG GLU 4 12.360 6.471 7.817 28 2HG GLU 4 2HG GLU 4 12.584 7.105 6.187 29 H ASP 5 H ASP 5 10.713 3.071 7.755 30 HA ASP 5 HA ASP 5 11.565 0.602 6.468 31 1HB ASP 5 2HB ASP 5 11.637 0.661 8.842 32 2HB ASP 5 1HB ASP 5 10.004 1.312 8.932 33 H ASN 6 H ASN 6 8.395 2.141 7.136 34 HA ASN 6 HA ASN 6 6.751 0.096 6.160 35 1HB ASN 6 2HB ASN 6 5.407 1.758 7.022 36 2HB ASN 6 1HB ASN 6 6.504 3.036 6.510 37 1HD2 ASN 6 1HD2 ASN 6 6.546 3.342 4.017 38 2HD2 ASN 6 2HD2 ASN 6 5.050 3.270 3.214 39 H TRP 7 H TRP 7 8.325 2.740 4.349 40 HA TRP 7 HA TRP 7 7.354 2.137 1.773 41 1HB TRP 7 2HB TRP 7 9.960 3.271 2.794 42 2HB TRP 7 1HB TRP 7 9.788 2.924 1.077 43 HD1 TRP 7 HD TRP 7 7.613 4.742 3.752 44 HE1 TRP 7 1HE TRP 7 6.686 6.891 2.677 45 HE3 TRP 7 3HE TRP 7 9.617 4.328 -0.932 46 HZ2 TRP 7 2HZ TRP 7 6.787 8.258 0.180 47 HZ3 TRP 7 3HZ TRP 7 9.185 6.075 -2.635 48 HH2 TRP 7 HH TRP 7 7.773 8.036 -2.085 49 H GLU 8 H GLU 8 10.398 0.904 3.226 50 HA GLU 8 HA GLU 8 10.892 -0.998 1.196 51 1HB GLU 8 2HB GLU 8 12.480 -0.286 3.037 52 2HB GLU 8 1HB GLU 8 11.533 -1.285 4.140 53 1HG GLU 8 2HG GLU 8 11.905 -3.190 2.492 54 2HG GLU 8 1HG GLU 8 13.133 -2.176 1.743 55 H THR 9 H THR 9 8.726 -0.982 3.968 56 HA THR 9 HA THR 9 8.179 -3.811 3.913 57 HB THR 9 HB THR 9 6.218 -1.720 4.857 58 HG1 THR 9 1HG THR 9 8.576 -1.621 5.609 59 1HG2 THR 9 1HG2 THR 9 5.636 -3.476 6.481 60 2HG2 THR 9 2HG2 THR 9 6.873 -4.526 5.790 61 3HG2 THR 9 3HG2 THR 9 5.471 -4.059 4.824 62 H LEU 10 H LEU 10 6.285 -1.020 2.691 63 HA LEU 10 HA LEU 10 4.311 -2.540 1.342 64 1HB LEU 10 2HB LEU 10 5.546 -0.001 0.234 65 2HB LEU 10 1HB LEU 10 3.928 -0.615 -0.076 66 HG LEU 10 HG LEU 10 5.009 0.688 2.424 67 1HD1 LEU 10 1HD1 LEU 10 3.018 2.074 2.184 68 2HD1 LEU 10 2HD1 LEU 10 2.460 1.082 0.836 69 3HD1 LEU 10 3HD1 LEU 10 3.917 2.061 0.666 70 1HD2 LEU 10 1HD2 LEU 10 2.614 -1.147 2.172 71 2HD2 LEU 10 2HD2 LEU 10 2.776 0.039 3.466 72 3HD2 LEU 10 3HD2 LEU 10 3.950 -1.270 3.318 73 H ASN 11 H ASN 11 7.555 -1.518 0.400 74 HA ASN 11 HA ASN 11 7.458 -2.681 -2.246 75 1HB ASN 11 2HB ASN 11 9.136 -0.938 -1.305 76 2HB ASN 11 1HB ASN 11 9.998 -2.328 -0.643 77 1HD2 ASN 11 1HD2 ASN 11 8.463 -1.405 -3.799 78 2HD2 ASN 11 2HD2 ASN 11 9.712 -2.037 -4.758 79 H ASP 12 H ASP 12 9.213 -3.796 0.670 80 HA ASP 12 HA ASP 12 9.887 -6.356 -0.340 81 1HB ASP 12 2HB ASP 12 10.952 -5.468 1.656 82 2HB ASP 12 1HB ASP 12 9.413 -5.458 2.517 83 H ASN 13 H ASN 13 6.822 -5.150 0.557 84 HA ASN 13 HA ASN 13 5.639 -7.671 1.399 85 1HB ASN 13 2HB ASN 13 4.754 -4.882 0.853 86 2HB ASN 13 1HB ASN 13 3.577 -6.095 0.449 87 1HD2 ASN 13 1HD2 ASN 13 3.654 -4.043 2.692 88 2HD2 ASN 13 2HD2 ASN 13 3.357 -4.941 4.106 89 H LEU 14 H LEU 14 5.413 -5.640 -1.509 90 HA LEU 14 HA LEU 14 3.912 -7.365 -3.132 91 1HB LEU 14 2HB LEU 14 6.032 -5.329 -3.834 92 2HB LEU 14 1HB LEU 14 4.991 -6.095 -5.035 93 HG LEU 14 HG LEU 14 3.701 -4.825 -2.627 94 1HD1 LEU 14 1HD1 LEU 14 4.772 -3.308 -5.019 95 2HD1 LEU 14 2HD1 LEU 14 5.214 -3.074 -3.329 96 3HD1 LEU 14 3HD1 LEU 14 3.591 -2.664 -3.881 97 1HD2 LEU 14 1HD2 LEU 14 2.545 -6.169 -4.537 98 2HD2 LEU 14 2HD2 LEU 14 2.824 -4.729 -5.513 99 3HD2 LEU 14 3HD2 LEU 14 1.842 -4.628 -4.054 100 H LYS 15 H LYS 15 7.350 -7.485 -2.397 101 HA LYS 15 HA LYS 15 7.983 -9.254 -4.601 102 1HB LYS 15 2HB LYS 15 9.689 -7.904 -3.309 103 2HB LYS 15 1HB LYS 15 9.453 -9.021 -1.963 104 1HG LYS 15 2HG LYS 15 9.886 -10.832 -3.947 105 2HG LYS 15 1HG LYS 15 10.807 -9.475 -4.596 106 1HD LYS 15 2HD LYS 15 12.305 -10.815 -3.254 107 2HD LYS 15 1HD LYS 15 12.006 -9.310 -2.391 108 1HE LYS 15 2HE LYS 15 11.014 -10.404 -0.639 109 2HE LYS 15 1HE LYS 15 10.066 -11.441 -1.705 110 1HZ LYS 15 1HZ LYS 15 12.077 -12.324 -0.229 111 2HZ LYS 15 2HZ LYS 15 12.929 -11.936 -1.645 112 3HZ LYS 15 3HZ LYS 15 11.634 -13.033 -1.705 113 H VAL 16 H VAL 16 7.171 -9.736 -1.170 114 HA VAL 16 HA VAL 16 7.533 -12.557 -1.145 115 HB VAL 16 HB VAL 16 5.607 -10.825 0.436 116 1HG1 VAL 16 1HG1 VAL 16 6.395 -13.734 0.776 117 2HG1 VAL 16 2HG1 VAL 16 4.776 -13.115 0.463 118 3HG1 VAL 16 3HG1 VAL 16 5.560 -12.786 2.004 119 1HG2 VAL 16 1HG2 VAL 16 8.160 -10.533 0.674 120 2HG2 VAL 16 2HG2 VAL 16 8.167 -12.155 1.358 121 3HG2 VAL 16 3HG2 VAL 16 7.263 -10.868 2.152 122 H ILE 17 H ILE 17 5.010 -10.590 -2.539 123 HA ILE 17 HA ILE 17 3.017 -12.686 -2.721 124 HB ILE 17 HB ILE 17 3.277 -10.311 -4.579 125 1HG1 ILE 17 2HG1 ILE 17 2.193 -10.462 -1.753 126 2HG1 ILE 17 1HG1 ILE 17 3.547 -9.504 -2.329 127 1HG2 ILE 17 1HG2 ILE 17 0.891 -10.515 -4.762 128 2HG2 ILE 17 2HG2 ILE 17 0.826 -11.667 -3.429 129 3HG2 ILE 17 3HG2 ILE 17 1.544 -12.141 -4.967 130 1HD1 ILE 17 1HD1 ILE 17 0.620 -9.136 -2.943 131 2HD1 ILE 17 2HD1 ILE 17 1.872 -8.407 -3.948 132 3HD1 ILE 17 3HD1 ILE 17 1.742 -7.969 -2.244 133 H GLU 18 H GLU 18 4.706 -11.142 -5.457 134 HA GLU 18 HA GLU 18 4.302 -13.130 -7.354 135 1HB GLU 18 2HB GLU 18 7.007 -11.814 -7.201 136 2HB GLU 18 1HB GLU 18 5.976 -12.091 -8.610 137 1HG GLU 18 2HG GLU 18 4.323 -10.467 -7.330 138 2HG GLU 18 1HG GLU 18 5.784 -9.945 -6.508 139 H LYS 19 H LYS 19 6.482 -13.131 -4.641 140 HA LYS 19 HA LYS 19 7.609 -15.769 -5.518 141 1HB LYS 19 2HB LYS 19 8.658 -13.539 -3.858 142 2HB LYS 19 1HB LYS 19 9.005 -15.135 -3.220 143 1HG LYS 19 2HG LYS 19 10.858 -14.787 -4.587 144 2HG LYS 19 1HG LYS 19 9.804 -15.648 -5.686 145 1HD LYS 19 2HD LYS 19 10.121 -13.897 -7.123 146 2HD LYS 19 1HD LYS 19 9.010 -13.005 -6.091 147 1HE LYS 19 2HE LYS 19 10.836 -11.559 -6.099 148 2HE LYS 19 1HE LYS 19 11.234 -12.534 -4.686 149 1HZ LYS 19 1HZ LYS 19 13.044 -12.215 -6.391 150 2HZ LYS 19 2HZ LYS 19 12.154 -13.248 -7.405 151 3HZ LYS 19 3HZ LYS 19 12.739 -13.813 -5.914 152 H ALA 20 H ALA 20 5.035 -14.685 -3.800 153 HA ALA 20 HA ALA 20 5.131 -16.121 -1.351 154 1HB ALA 20 1HB ALA 20 3.240 -14.719 -1.561 155 2HB ALA 20 2HB ALA 20 2.554 -16.328 -1.756 156 3HB ALA 20 3HB ALA 20 2.854 -15.330 -3.166 157 H ASP 21 H ASP 21 4.021 -17.091 -4.557 158 HA ASP 21 HA ASP 21 3.883 -19.199 -5.546 159 1HB ASP 21 2HB ASP 21 6.152 -19.296 -3.875 160 2HB ASP 21 1HB ASP 21 5.263 -20.755 -3.464 161 H ASN 22 H ASN 22 2.706 -18.551 -2.386 162 HA ASN 22 HA ASN 22 0.643 -20.636 -2.786 163 1HB ASN 22 2HB ASN 22 1.727 -20.426 0.009 164 2HB ASN 22 1HB ASN 22 0.913 -21.775 -0.783 165 1HD2 ASN 22 1HD2 ASN 22 3.817 -19.813 -1.442 166 2HD2 ASN 22 2HD2 ASN 22 4.823 -21.135 -1.748 167 H ALA 23 H ALA 23 -1.332 -20.125 -1.834 168 HA ALA 23 HA ALA 23 -1.987 -17.383 -1.501 169 1HB ALA 23 1HB ALA 23 -3.525 -19.398 -2.006 170 2HB ALA 23 2HB ALA 23 -4.167 -18.111 -0.985 171 3HB ALA 23 3HB ALA 23 -3.591 -19.610 -0.256 172 H ALA 24 H ALA 24 -0.762 -19.681 0.821 173 HA ALA 24 HA ALA 24 -1.706 -18.397 3.199 174 1HB ALA 24 1HB ALA 24 -0.659 -20.676 3.092 175 2HB ALA 24 2HB ALA 24 0.020 -19.645 4.352 176 3HB ALA 24 3HB ALA 24 0.904 -19.896 2.847 177 H GLN 25 H GLN 25 1.432 -18.078 1.507 178 HA GLN 25 HA GLN 25 2.383 -15.974 3.215 179 1HB GLN 25 2HB GLN 25 3.325 -16.373 0.387 180 2HB GLN 25 1HB GLN 25 4.247 -15.906 1.804 181 1HG GLN 25 2HG GLN 25 3.579 -18.262 2.724 182 2HG GLN 25 1HG GLN 25 3.214 -18.630 1.036 183 1HE2 GLN 25 1HE2 GLN 25 5.126 -17.919 -0.522 184 2HE2 GLN 25 2HE2 GLN 25 6.688 -18.308 0.018 185 H VAL 26 H VAL 26 0.182 -15.990 0.556 186 HA VAL 26 HA VAL 26 0.643 -13.245 -0.282 187 HB VAL 26 HB VAL 26 -1.889 -14.893 -0.586 188 1HG1 VAL 26 1HG1 VAL 26 -2.626 -13.301 -2.169 189 2HG1 VAL 26 2HG1 VAL 26 -1.021 -12.605 -2.360 190 3HG1 VAL 26 3HG1 VAL 26 -1.943 -12.289 -0.902 191 1HG2 VAL 26 1HG2 VAL 26 0.303 -15.779 -1.628 192 2HG2 VAL 26 2HG2 VAL 26 0.218 -14.393 -2.700 193 3HG2 VAL 26 3HG2 VAL 26 -1.071 -15.595 -2.707 194 H LYS 27 H LYS 27 -1.814 -14.780 1.882 195 HA LYS 27 HA LYS 27 -3.103 -12.361 2.619 196 1HB LYS 27 2HB LYS 27 -2.441 -14.739 4.373 197 2HB LYS 27 1HB LYS 27 -3.585 -13.482 4.797 198 1HG LYS 27 2HG LYS 27 -5.248 -14.518 3.644 199 2HG LYS 27 1HG LYS 27 -4.283 -14.568 2.182 200 1HD LYS 27 2HD LYS 27 -4.813 -16.854 2.810 201 2HD LYS 27 1HD LYS 27 -3.100 -16.576 3.091 202 1HE LYS 27 2HE LYS 27 -3.333 -16.563 5.404 203 2HE LYS 27 1HE LYS 27 -5.033 -16.102 5.341 204 1HZ LYS 27 1HZ LYS 27 -3.905 -18.681 5.450 205 2HZ LYS 27 2HZ LYS 27 -4.801 -18.523 4.013 206 3HZ LYS 27 3HZ LYS 27 -5.540 -18.233 5.516 207 H ASP 28 H ASP 28 -0.509 -14.143 4.177 208 HA ASP 28 HA ASP 28 0.235 -12.350 6.183 209 1HB ASP 28 2HB ASP 28 2.107 -14.010 4.464 210 2HB ASP 28 1HB ASP 28 2.451 -13.409 6.085 211 H ALA 29 H ALA 29 1.184 -12.395 2.767 212 HA ALA 29 HA ALA 29 3.061 -10.239 2.962 213 1HB ALA 29 1HB ALA 29 2.917 -10.140 0.530 214 2HB ALA 29 2HB ALA 29 1.420 -11.072 0.551 215 3HB ALA 29 3HB ALA 29 2.936 -11.826 1.038 216 H LEU 30 H LEU 30 -0.212 -10.204 1.489 217 HA LEU 30 HA LEU 30 -0.385 -7.355 1.444 218 1HB LEU 30 2HB LEU 30 -2.559 -9.463 1.460 219 2HB LEU 30 1HB LEU 30 -2.854 -7.751 1.162 220 HG LEU 30 HG LEU 30 -1.049 -9.552 -0.486 221 1HD1 LEU 30 1HD1 LEU 30 -3.435 -10.042 -0.776 222 2HD1 LEU 30 2HD1 LEU 30 -2.789 -9.274 -2.221 223 3HD1 LEU 30 3HD1 LEU 30 -3.765 -8.341 -1.085 224 1HD2 LEU 30 1HD2 LEU 30 -1.582 -6.595 -0.505 225 2HD2 LEU 30 2HD2 LEU 30 -1.383 -7.404 -2.059 226 3HD2 LEU 30 3HD2 LEU 30 -0.095 -7.471 -0.863 227 H THR 31 H THR 31 -0.937 -9.667 4.003 228 HA THR 31 HA THR 31 -2.632 -8.090 5.685 229 HB THR 31 HB THR 31 -0.437 -10.058 6.410 230 HG1 THR 31 1HG THR 31 -2.259 -10.834 5.182 231 1HG2 THR 31 1HG2 THR 31 -0.792 -8.898 8.415 232 2HG2 THR 31 2HG2 THR 31 -1.952 -10.219 8.539 233 3HG2 THR 31 3HG2 THR 31 -2.497 -8.611 8.067 234 H LYS 32 H LYS 32 0.859 -8.224 5.238 235 HA LYS 32 HA LYS 32 1.440 -6.280 7.306 236 1HB LYS 32 2HB LYS 32 2.929 -7.715 5.147 237 2HB LYS 32 1HB LYS 32 3.685 -6.268 5.824 238 1HG LYS 32 2HG LYS 32 3.589 -7.212 8.066 239 2HG LYS 32 1HG LYS 32 2.666 -8.596 7.485 240 1HD LYS 32 2HD LYS 32 4.857 -9.445 7.604 241 2HD LYS 32 1HD LYS 32 4.696 -9.016 5.905 242 1HE LYS 32 2HE LYS 32 5.905 -6.947 6.242 243 2HE LYS 32 1HE LYS 32 5.906 -7.177 7.991 244 1HZ LYS 32 1HZ LYS 32 8.008 -7.863 7.178 245 2HZ LYS 32 2HZ LYS 32 7.311 -8.818 5.959 246 3HZ LYS 32 3HZ LYS 32 7.160 -9.273 7.589 247 H MET 33 H MET 33 0.706 -6.153 3.855 248 HA MET 33 HA MET 33 1.561 -3.436 3.369 249 1HB MET 33 2HB MET 33 -0.593 -5.133 2.087 250 2HB MET 33 1HB MET 33 -0.148 -3.534 1.497 251 1HG MET 33 2HG MET 33 2.250 -4.425 1.376 252 2HG MET 33 1HG MET 33 1.538 -6.028 1.562 253 1HE MET 33 1HE MET 33 2.851 -3.595 -0.801 254 2HE MET 33 2HE MET 33 1.402 -2.682 -0.384 255 3HE MET 33 3HE MET 33 1.619 -3.276 -2.029 256 H ARG 34 H ARG 34 -1.771 -4.576 3.402 257 HA ARG 34 HA ARG 34 -3.056 -2.163 3.848 258 1HB ARG 34 2HB ARG 34 -3.888 -4.767 3.692 259 2HB ARG 34 1HB ARG 34 -4.157 -4.467 5.402 260 1HG ARG 34 2HG ARG 34 -5.275 -2.195 4.336 261 2HG ARG 34 1HG ARG 34 -5.567 -3.322 3.020 262 1HD ARG 34 2HD ARG 34 -6.322 -4.686 5.423 263 2HD ARG 34 1HD ARG 34 -7.001 -3.071 5.515 264 HE ARG 34 HE ARG 34 -7.691 -3.879 2.972 265 1HH1 ARG 34 1HH2 ARG 34 -7.855 -5.177 6.177 266 2HH1 ARG 34 2HH2 ARG 34 -9.365 -5.988 5.935 267 1HH2 ARG 34 1HH1 ARG 34 -9.743 -4.936 2.679 268 2HH2 ARG 34 2HH1 ARG 34 -10.417 -5.851 3.973 269 H ALA 35 H ALA 35 -1.216 -4.077 6.080 270 HA ALA 35 HA ALA 35 -2.171 -2.768 8.494 271 1HB ALA 35 1HB ALA 35 0.343 -4.353 7.923 272 2HB ALA 35 2HB ALA 35 -1.134 -4.956 8.673 273 3HB ALA 35 3HB ALA 35 -0.123 -3.787 9.523 274 H ALA 36 H ALA 36 1.050 -2.593 6.878 275 HA ALA 36 HA ALA 36 1.809 -0.214 8.287 276 1HB ALA 36 1HB ALA 36 3.645 -0.082 6.741 277 2HB ALA 36 2HB ALA 36 2.774 -1.030 5.535 278 3HB ALA 36 3HB ALA 36 3.343 -1.796 7.017 279 H ALA 37 H ALA 37 -0.114 -0.726 5.405 280 HA ALA 37 HA ALA 37 0.031 1.907 4.314 281 1HB ALA 37 1HB ALA 37 -2.074 1.373 3.201 282 2HB ALA 37 2HB ALA 37 -2.373 0.055 4.335 283 3HB ALA 37 3HB ALA 37 -1.042 -0.059 3.183 284 H LEU 38 H LEU 38 -2.156 0.477 6.744 285 HA LEU 38 HA LEU 38 -3.656 2.885 7.214 286 1HB LEU 38 2HB LEU 38 -3.108 0.524 9.040 287 2HB LEU 38 1HB LEU 38 -4.322 1.765 9.342 288 HG LEU 38 HG LEU 38 -4.365 0.283 6.714 289 1HD1 LEU 38 1HD1 LEU 38 -5.591 -0.728 9.299 290 2HD1 LEU 38 2HD1 LEU 38 -4.220 -1.463 8.467 291 3HD1 LEU 38 3HD1 LEU 38 -5.808 -1.441 7.701 292 1HD2 LEU 38 1HD2 LEU 38 -6.809 0.692 6.972 293 2HD2 LEU 38 2HD2 LEU 38 -5.882 2.189 7.021 294 3HD2 LEU 38 3HD2 LEU 38 -6.498 1.484 8.516 295 H ASP 39 H ASP 39 -0.524 1.753 8.246 296 HA ASP 39 HA ASP 39 -0.330 3.689 10.453 297 1HB ASP 39 2HB ASP 39 0.870 1.456 10.424 298 2HB ASP 39 1HB ASP 39 1.891 2.098 9.137 299 H ALA 40 H ALA 40 1.106 3.262 7.212 300 HA ALA 40 HA ALA 40 2.602 5.683 7.208 301 1HB ALA 40 1HB ALA 40 1.442 3.971 5.009 302 2HB ALA 40 2HB ALA 40 3.133 4.200 5.457 303 3HB ALA 40 3HB ALA 40 2.260 5.487 4.629 304 H GLN 41 H GLN 41 -0.761 5.261 7.284 305 HA GLN 41 HA GLN 41 -1.763 7.310 5.647 306 1HB GLN 41 2HB GLN 41 -3.228 5.862 6.990 307 2HB GLN 41 1HB GLN 41 -2.612 6.583 8.475 308 1HG GLN 41 2HG GLN 41 -3.830 8.328 6.342 309 2HG GLN 41 1HG GLN 41 -4.870 7.466 7.475 310 1HE2 GLN 41 1HE2 GLN 41 -2.760 10.203 7.098 311 2HE2 GLN 41 2HE2 GLN 41 -2.851 10.758 8.699 312 H LYS 42 H LYS 42 -0.747 7.615 9.052 313 HA LYS 42 HA LYS 42 -0.682 10.521 8.943 314 1HB LYS 42 2HB LYS 42 0.480 8.555 10.938 315 2HB LYS 42 1HB LYS 42 0.470 10.303 11.150 316 1HG LYS 42 2HG LYS 42 -1.503 9.895 12.264 317 2HG LYS 42 1HG LYS 42 -2.176 9.917 10.643 318 1HD LYS 42 2HD LYS 42 -3.023 7.905 11.485 319 2HD LYS 42 1HD LYS 42 -1.578 7.360 10.636 320 1HE LYS 42 2HE LYS 42 -1.418 6.291 12.737 321 2HE LYS 42 1HE LYS 42 -0.378 7.702 12.925 322 1HZ LYS 42 1HZ LYS 42 -2.133 8.869 14.024 323 2HZ LYS 42 2HZ LYS 42 -1.938 7.366 14.791 324 3HZ LYS 42 3HZ LYS 42 -3.235 7.617 13.723 325 H ALA 43 H ALA 43 0.960 9.099 6.905 326 HA ALA 43 HA ALA 43 3.736 9.363 7.753 327 1HB ALA 43 1HB ALA 43 2.453 8.956 5.042 328 2HB ALA 43 2HB ALA 43 3.304 7.761 6.024 329 3HB ALA 43 3HB ALA 43 4.197 9.079 5.270 330 H THR 44 H THR 44 5.096 11.073 7.450 331 HA THR 44 HA THR 44 4.374 13.291 5.674 332 HB THR 44 HB THR 44 3.098 13.764 7.771 333 HG1 THR 44 1HG THR 44 5.106 15.352 6.718 334 1HG2 THR 44 1HG2 THR 44 4.154 14.033 9.840 335 2HG2 THR 44 2HG2 THR 44 5.742 14.253 9.111 336 3HG2 THR 44 3HG2 THR 44 5.012 12.650 9.166 337 HA PRO 45 HA PRO 45 8.949 12.193 6.984 338 1HB PRO 45 2HB PRO 45 9.415 11.664 4.159 339 2HB PRO 45 1HB PRO 45 9.626 10.574 5.537 340 1HG PRO 45 2HG PRO 45 7.441 10.697 3.616 341 2HG PRO 45 1HG PRO 45 7.807 9.448 4.812 342 1HD PRO 45 2HD PRO 45 5.647 11.191 4.976 343 2HD PRO 45 1HD PRO 45 6.347 10.326 6.354 344 HA PRO 46 HA PRO 46 9.866 15.800 4.078 345 1HB PRO 46 2HB PRO 46 8.006 16.623 2.233 346 2HB PRO 46 1HB PRO 46 9.132 15.287 1.943 347 1HG PRO 46 2HG PRO 46 6.247 15.189 2.324 348 2HG PRO 46 1HG PRO 46 7.344 13.902 1.811 349 1HD PRO 46 2HD PRO 46 6.241 14.435 4.476 350 2HD PRO 46 1HD PRO 46 7.007 12.958 3.875 351 H LYS 47 H LYS 47 6.847 15.638 5.609 352 HA LYS 47 HA LYS 47 5.853 17.116 7.129 353 1HB LYS 47 2HB LYS 47 7.614 19.360 6.115 354 2HB LYS 47 1HB LYS 47 6.729 19.260 7.621 355 1HG LYS 47 2HG LYS 47 8.357 18.055 8.682 356 2HG LYS 47 1HG LYS 47 8.669 17.042 7.282 357 1HD LYS 47 2HD LYS 47 10.659 18.326 7.691 358 2HD LYS 47 1HD LYS 47 9.904 19.004 6.251 359 1HE LYS 47 2HE LYS 47 8.731 20.647 7.866 360 2HE LYS 47 1HE LYS 47 9.921 20.118 9.056 361 1HZ LYS 47 1HZ LYS 47 11.483 21.338 8.091 362 2HZ LYS 47 2HZ LYS 47 10.269 22.045 7.135 363 3HZ LYS 47 3HZ LYS 47 11.141 20.706 6.554 364 H LEU 48 H LEU 48 3.845 17.277 6.285 365 HA LEU 48 HA LEU 48 3.377 18.557 3.703 366 1HB LEU 48 2HB LEU 48 1.614 17.332 5.822 367 2HB LEU 48 1HB LEU 48 0.919 18.188 4.447 368 HG LEU 48 HG LEU 48 3.021 16.280 3.621 369 1HD1 LEU 48 1HD1 LEU 48 0.495 15.098 4.811 370 2HD1 LEU 48 2HD1 LEU 48 2.065 15.066 5.614 371 3HD1 LEU 48 3HD1 LEU 48 1.843 14.227 4.081 372 1HD2 LEU 48 1HD2 LEU 48 0.083 16.326 2.870 373 2HD2 LEU 48 2HD2 LEU 48 1.441 15.732 1.912 374 3HD2 LEU 48 3HD2 LEU 48 1.252 17.462 2.195 375 H GLU 49 H GLU 49 4.146 19.805 6.574 376 HA GLU 49 HA GLU 49 2.236 22.088 6.447 377 1HB GLU 49 2HB GLU 49 3.008 20.798 8.639 378 2HB GLU 49 1HB GLU 49 4.427 21.834 8.506 379 1HG GLU 49 2HG GLU 49 2.952 23.827 8.462 380 2HG GLU 49 1HG GLU 49 1.544 22.776 8.629 381 H ASP 50 H ASP 50 4.580 21.288 4.639 382 HA ASP 50 HA ASP 50 5.756 24.020 4.493 383 1HB ASP 50 2HB ASP 50 7.192 22.341 5.877 384 2HB ASP 50 1HB ASP 50 7.569 21.612 4.320 385 H LYS 51 H LYS 51 3.846 22.830 2.773 386 HA LYS 51 HA LYS 51 5.120 23.188 0.229 387 1HB LYS 51 2HB LYS 51 4.923 20.908 -0.666 388 2HB LYS 51 1HB LYS 51 5.984 20.924 0.727 389 1HG LYS 51 2HG LYS 51 4.350 19.981 2.158 390 2HG LYS 51 1HG LYS 51 3.044 20.294 1.025 391 1HD LYS 51 2HD LYS 51 3.444 17.989 0.771 392 2HD LYS 51 1HD LYS 51 4.322 18.699 -0.580 393 1HE LYS 51 2HE LYS 51 5.736 17.043 0.518 394 2HE LYS 51 1HE LYS 51 6.405 18.647 0.807 395 1HZ LYS 51 1HZ LYS 51 6.334 17.313 2.830 396 2HZ LYS 51 2HZ LYS 51 4.649 17.157 2.680 397 3HZ LYS 51 3HZ LYS 51 5.341 18.681 2.963 398 H SER 52 H SER 52 3.021 21.252 -0.991 399 HA SER 52 HA SER 52 0.901 23.209 -1.060 400 1HB SER 52 2HB SER 52 1.520 21.808 -3.017 401 2HB SER 52 1HB SER 52 0.936 20.388 -2.151 402 HG SER 52 HG SER 52 -1.018 22.004 -1.937 403 HA PRO 53 HA PRO 53 -1.084 21.078 2.463 404 1HB PRO 53 2HB PRO 53 -2.716 23.026 3.270 405 2HB PRO 53 1HB PRO 53 -0.955 23.246 3.407 406 1HG PRO 53 2HG PRO 53 -2.811 24.233 1.267 407 2HG PRO 53 1HG PRO 53 -1.576 25.137 2.179 408 1HD PRO 53 2HD PRO 53 -1.122 24.080 -0.325 409 2HD PRO 53 1HD PRO 53 0.167 24.310 0.879 410 H ASP 54 H ASP 54 -2.450 22.218 -0.447 411 HA ASP 54 HA ASP 54 -4.339 21.615 -1.645 412 1HB ASP 54 2HB ASP 54 -4.966 19.533 0.450 413 2HB ASP 54 1HB ASP 54 -5.327 19.502 -1.273 414 H SER 55 H SER 55 -6.572 20.411 0.417 415 HA SER 55 HA SER 55 -7.254 22.743 1.933 416 1HB SER 55 2HB SER 55 -8.603 23.940 0.527 417 2HB SER 55 1HB SER 55 -7.779 23.065 -0.757 418 HG SER 55 HG SER 55 -10.278 22.561 0.447 419 HA PRO 56 HA PRO 56 -10.911 19.379 1.756 420 1HB PRO 56 2HB PRO 56 -9.006 17.121 1.237 421 2HB PRO 56 1HB PRO 56 -10.716 17.275 0.775 422 1HG PRO 56 2HG PRO 56 -8.877 17.667 -1.041 423 2HG PRO 56 1HG PRO 56 -10.221 18.821 -0.926 424 1HD PRO 56 2HD PRO 56 -7.406 19.105 0.096 425 2HD PRO 56 1HD PRO 56 -8.399 20.304 -0.770 426 H GLU 57 H GLU 57 -9.381 20.481 3.857 427 HA GLU 57 HA GLU 57 -8.593 20.044 6.041 428 1HB GLU 57 2HB GLU 57 -10.819 18.011 5.680 429 2HB GLU 57 1HB GLU 57 -9.997 18.256 7.219 430 1HG GLU 57 2HG GLU 57 -11.870 19.671 7.397 431 2HG GLU 57 1HG GLU 57 -10.599 20.777 6.885 432 H MET 58 H MET 58 -7.299 18.734 3.782 433 HA MET 58 HA MET 58 -5.628 17.203 3.377 434 1HB MET 58 2HB MET 58 -5.764 16.701 6.364 435 2HB MET 58 1HB MET 58 -4.469 16.254 5.276 436 1HG MET 58 2HG MET 58 -3.628 18.376 5.155 437 2HG MET 58 1HG MET 58 -5.219 19.141 5.211 438 1HE MET 58 1HE MET 58 -6.712 19.084 7.519 439 2HE MET 58 2HE MET 58 -5.852 20.527 6.986 440 3HE MET 58 3HE MET 58 -5.840 20.081 8.690 441 H LYS 59 H LYS 59 -8.659 16.439 4.521 442 HA LYS 59 HA LYS 59 -8.762 13.694 4.967 443 1HB LYS 59 2HB LYS 59 -10.713 15.306 4.892 444 2HB LYS 59 1HB LYS 59 -10.622 15.225 3.127 445 1HG LYS 59 2HG LYS 59 -10.729 12.567 4.501 446 2HG LYS 59 1HG LYS 59 -12.182 13.544 4.674 447 1HD LYS 59 2HD LYS 59 -12.508 13.666 2.314 448 2HD LYS 59 1HD LYS 59 -10.891 13.053 1.979 449 1HE LYS 59 2HE LYS 59 -12.930 11.417 1.807 450 2HE LYS 59 1HE LYS 59 -11.445 10.861 2.581 451 1HZ LYS 59 1HZ LYS 59 -13.737 10.571 3.753 452 2HZ LYS 59 2HZ LYS 59 -13.491 12.187 4.217 453 3HZ LYS 59 3HZ LYS 59 -12.362 10.995 4.655 454 H ASP 60 H ASP 60 -8.468 15.446 1.924 455 HA ASP 60 HA ASP 60 -8.730 13.210 0.196 456 1HB ASP 60 2HB ASP 60 -8.902 15.352 -0.760 457 2HB ASP 60 1HB ASP 60 -7.396 15.909 -0.038 458 H PHE 61 H PHE 61 -6.163 14.206 2.297 459 HA PHE 61 HA PHE 61 -4.048 12.757 0.934 460 1HB PHE 61 2HB PHE 61 -4.006 14.709 2.779 461 2HB PHE 61 1HB PHE 61 -3.902 13.339 3.880 462 HD1 PHE 61 1HD PHE 61 -1.796 12.388 4.310 463 HD2 PHE 61 2HD PHE 61 -2.382 14.665 0.717 464 HE1 PHE 61 1HE PHE 61 0.622 12.178 3.785 465 HE2 PHE 61 2HE PHE 61 0.032 14.458 0.191 466 HZ PHE 61 HZ PHE 61 1.535 13.212 1.721 467 H ARG 62 H ARG 62 -5.913 12.112 3.955 468 HA ARG 62 HA ARG 62 -4.858 9.450 4.266 469 1HB ARG 62 2HB ARG 62 -7.281 9.329 5.573 470 2HB ARG 62 1HB ARG 62 -5.816 9.973 6.286 471 1HG ARG 62 2HG ARG 62 -7.518 11.802 4.644 472 2HG ARG 62 1HG ARG 62 -8.056 11.392 6.244 473 1HD ARG 62 2HD ARG 62 -6.381 13.479 5.717 474 2HD ARG 62 1HD ARG 62 -6.450 12.667 7.266 475 HE ARG 62 HE ARG 62 -4.536 11.418 5.445 476 1HH1 ARG 62 1HH2 ARG 62 -5.176 13.925 7.722 477 2HH1 ARG 62 2HH2 ARG 62 -3.518 14.097 8.196 478 1HH2 ARG 62 1HH1 ARG 62 -2.376 11.622 6.051 479 2HH2 ARG 62 2HH1 ARG 62 -1.934 12.789 7.252 480 H HIS 63 H HIS 63 -7.600 10.780 2.528 481 HA HIS 63 HA HIS 63 -8.986 8.350 1.940 482 1HB HIS 63 2HB HIS 63 -9.442 10.963 1.321 483 2HB HIS 63 1HB HIS 63 -8.829 10.413 -0.233 484 HD1 HIS 63 1HD HIS 63 -10.937 8.446 2.229 485 HD2 HIS 63 2HD HIS 63 -11.240 10.031 -1.614 486 HE1 HIS 63 1HE HIS 63 -13.097 7.578 1.273 487 H GLY 64 H GLY 64 -6.168 9.878 0.378 488 1HA GLY 64 2HA GLY 64 -6.058 7.983 -1.777 489 2HA GLY 64 1HA GLY 64 -4.690 8.939 -1.200 490 H PHE 65 H PHE 65 -4.949 7.952 1.565 491 HA PHE 65 HA PHE 65 -3.480 5.427 1.208 492 1HB PHE 65 2HB PHE 65 -4.189 7.109 3.620 493 2HB PHE 65 1HB PHE 65 -3.428 5.525 3.774 494 HD1 PHE 65 1HD PHE 65 -2.889 9.008 3.126 495 HD2 PHE 65 2HD PHE 65 -1.238 5.105 2.480 496 HE1 PHE 65 1HE PHE 65 -0.686 10.024 2.649 497 HE2 PHE 65 2HE PHE 65 0.972 6.122 1.992 498 HZ PHE 65 HZ PHE 65 1.243 8.591 2.073 499 H ASP 66 H ASP 66 -6.583 6.540 2.514 500 HA ASP 66 HA ASP 66 -7.429 3.915 3.402 501 1HB ASP 66 2HB ASP 66 -8.382 6.259 4.058 502 2HB ASP 66 1HB ASP 66 -9.319 6.125 2.571 503 H ILE 67 H ILE 67 -8.050 5.906 0.513 504 HA ILE 67 HA ILE 67 -9.702 4.083 -0.880 505 HB ILE 67 HB ILE 67 -7.621 6.042 -1.915 506 1HG1 ILE 67 2HG1 ILE 67 -9.809 6.763 -0.597 507 2HG1 ILE 67 1HG1 ILE 67 -9.351 7.615 -2.068 508 1HG2 ILE 67 1HG2 ILE 67 -9.018 5.829 -4.071 509 2HG2 ILE 67 2HG2 ILE 67 -9.624 4.324 -3.382 510 3HG2 ILE 67 3HG2 ILE 67 -7.901 4.516 -3.699 511 1HD1 ILE 67 1HD1 ILE 67 -11.024 6.573 -3.346 512 2HD1 ILE 67 2HD1 ILE 67 -11.822 6.831 -1.796 513 3HD1 ILE 67 3HD1 ILE 67 -11.199 5.236 -2.211 514 H LEU 68 H LEU 68 -6.178 4.353 -0.689 515 HA LEU 68 HA LEU 68 -5.475 2.287 -2.499 516 1HB LEU 68 2HB LEU 68 -3.739 3.713 -1.693 517 2HB LEU 68 1HB LEU 68 -4.164 3.408 -0.014 518 HG LEU 68 HG LEU 68 -3.323 1.142 -0.148 519 1HD1 LEU 68 1HD1 LEU 68 -2.076 0.586 -2.421 520 2HD1 LEU 68 2HD1 LEU 68 -3.232 1.729 -3.098 521 3HD1 LEU 68 3HD1 LEU 68 -3.801 0.286 -2.265 522 1HD2 LEU 68 1HD2 LEU 68 -0.968 1.615 -0.495 523 2HD2 LEU 68 2HD2 LEU 68 -1.724 3.045 0.206 524 3HD2 LEU 68 3HD2 LEU 68 -1.357 2.999 -1.519 525 H VAL 69 H VAL 69 -6.158 2.141 1.008 526 HA VAL 69 HA VAL 69 -5.749 -0.646 1.329 527 HB VAL 69 HB VAL 69 -7.531 1.349 2.745 528 1HG1 VAL 69 1HG1 VAL 69 -7.549 -0.531 4.551 529 2HG1 VAL 69 2HG1 VAL 69 -7.205 -1.604 3.194 530 3HG1 VAL 69 3HG1 VAL 69 -8.674 -0.634 3.198 531 1HG2 VAL 69 1HG2 VAL 69 -5.810 0.870 4.584 532 2HG2 VAL 69 2HG2 VAL 69 -5.226 1.770 3.188 533 3HG2 VAL 69 3HG2 VAL 69 -4.861 0.053 3.344 534 H GLY 70 H GLY 70 -8.100 1.068 -0.437 535 1HA GLY 70 2HA GLY 70 -10.263 -0.846 -0.125 536 2HA GLY 70 1HA GLY 70 -10.183 0.431 -1.316 537 H GLN 71 H GLN 71 -7.798 -0.242 -2.657 538 HA GLN 71 HA GLN 71 -8.789 -2.506 -4.234 539 1HB GLN 71 2HB GLN 71 -7.274 -1.874 -5.875 540 2HB GLN 71 1HB GLN 71 -7.468 -0.345 -5.036 541 1HG GLN 71 2HG GLN 71 -5.132 -0.643 -5.368 542 2HG GLN 71 1HG GLN 71 -5.412 -0.960 -3.675 543 1HE2 GLN 71 1HE2 GLN 71 -6.572 -3.484 -5.735 544 2HE2 GLN 71 2HE2 GLN 71 -5.280 -4.557 -5.508 545 H ILE 72 H ILE 72 -6.215 -1.892 -1.916 546 HA ILE 72 HA ILE 72 -5.027 -4.513 -2.167 547 HB ILE 72 HB ILE 72 -4.977 -2.394 0.005 548 1HG1 ILE 72 2HG1 ILE 72 -2.792 -3.494 -1.777 549 2HG1 ILE 72 1HG1 ILE 72 -3.729 -2.051 -2.156 550 1HG2 ILE 72 1HG2 ILE 72 -3.127 -3.825 1.009 551 2HG2 ILE 72 2HG2 ILE 72 -3.655 -5.128 -0.053 552 3HG2 ILE 72 3HG2 ILE 72 -4.742 -4.500 1.182 553 1HD1 ILE 72 1HD1 ILE 72 -1.716 -1.297 -1.090 554 2HD1 ILE 72 2HD1 ILE 72 -1.878 -2.492 0.195 555 3HD1 ILE 72 3HD1 ILE 72 -3.002 -1.139 0.106 556 H ASP 73 H ASP 73 -7.766 -3.111 -0.471 557 HA ASP 73 HA ASP 73 -8.182 -5.236 1.400 558 1HB ASP 73 2HB ASP 73 -9.445 -3.331 1.908 559 2HB ASP 73 1HB ASP 73 -9.876 -3.066 0.219 560 H ASP 74 H ASP 74 -9.640 -4.689 -1.830 561 HA ASP 74 HA ASP 74 -11.101 -7.155 -1.868 562 1HB ASP 74 2HB ASP 74 -10.106 -5.305 -4.050 563 2HB ASP 74 1HB ASP 74 -10.986 -6.788 -4.426 564 H ALA 75 H ALA 75 -7.756 -6.379 -2.727 565 HA ALA 75 HA ALA 75 -7.304 -8.938 -4.011 566 1HB ALA 75 1HB ALA 75 -5.877 -6.957 -4.494 567 2HB ALA 75 2HB ALA 75 -4.918 -8.320 -3.920 568 3HB ALA 75 3HB ALA 75 -5.292 -6.985 -2.831 569 H LEU 76 H LEU 76 -6.862 -7.636 -0.726 570 HA LEU 76 HA LEU 76 -5.450 -9.810 0.369 571 1HB LEU 76 2HB LEU 76 -6.602 -7.459 1.299 572 2HB LEU 76 1HB LEU 76 -7.602 -8.661 2.078 573 HG LEU 76 HG LEU 76 -4.708 -9.288 2.304 574 1HD1 LEU 76 1HD1 LEU 76 -5.712 -6.823 3.732 575 2HD1 LEU 76 2HD1 LEU 76 -4.646 -6.780 2.326 576 3HD1 LEU 76 3HD1 LEU 76 -4.098 -7.531 3.825 577 1HD2 LEU 76 1HD2 LEU 76 -6.613 -10.339 3.593 578 2HD2 LEU 76 2HD2 LEU 76 -6.781 -8.808 4.454 579 3HD2 LEU 76 3HD2 LEU 76 -5.288 -9.738 4.590 580 H LYS 77 H LYS 77 -8.744 -9.446 -0.653 581 HA LYS 77 HA LYS 77 -9.831 -11.776 0.622 582 1HB LYS 77 2HB LYS 77 -11.083 -9.789 -0.450 583 2HB LYS 77 1HB LYS 77 -10.735 -10.562 -1.999 584 1HG LYS 77 2HG LYS 77 -12.825 -11.471 -1.464 585 2HG LYS 77 1HG LYS 77 -11.701 -12.700 -0.884 586 1HD LYS 77 2HD LYS 77 -11.902 -11.053 1.339 587 2HD LYS 77 1HD LYS 77 -13.520 -10.923 0.660 588 1HE LYS 77 2HE LYS 77 -13.551 -13.469 0.561 589 2HE LYS 77 1HE LYS 77 -12.063 -13.443 1.514 590 1HZ LYS 77 1HZ LYS 77 -13.550 -11.806 2.950 591 2HZ LYS 77 2HZ LYS 77 -13.551 -13.487 3.196 592 3HZ LYS 77 3HZ LYS 77 -14.791 -12.756 2.292 593 H LEU 78 H LEU 78 -8.549 -11.103 -2.633 594 HA LEU 78 HA LEU 78 -8.925 -13.698 -3.703 595 1HB LEU 78 2HB LEU 78 -7.266 -11.306 -4.339 596 2HB LEU 78 1HB LEU 78 -6.666 -12.829 -5.018 597 HG LEU 78 HG LEU 78 -8.878 -13.246 -6.037 598 1HD1 LEU 78 1HD1 LEU 78 -9.554 -10.671 -4.606 599 2HD1 LEU 78 2HD1 LEU 78 -10.439 -12.196 -4.608 600 3HD1 LEU 78 3HD1 LEU 78 -10.451 -11.171 -6.039 601 1HD2 LEU 78 1HD2 LEU 78 -8.617 -11.710 -7.823 602 2HD2 LEU 78 2HD2 LEU 78 -7.008 -11.764 -7.099 603 3HD2 LEU 78 3HD2 LEU 78 -8.085 -10.413 -6.751 604 H ALA 79 H ALA 79 -6.479 -12.348 -1.613 605 HA ALA 79 HA ALA 79 -4.598 -14.513 -1.771 606 1HB ALA 79 1HB ALA 79 -5.118 -12.796 0.671 607 2HB ALA 79 2HB ALA 79 -4.248 -12.196 -0.733 608 3HB ALA 79 3HB ALA 79 -3.602 -13.551 0.188 609 H ASN 80 H ASN 80 -7.159 -13.754 0.605 610 HA ASN 80 HA ASN 80 -6.860 -16.288 1.952 611 1HB ASN 80 2HB ASN 80 -7.889 -13.945 2.745 612 2HB ASN 80 1HB ASN 80 -9.394 -14.715 2.243 613 1HD2 ASN 80 1HD2 ASN 80 -6.406 -15.723 3.990 614 2HD2 ASN 80 2HD2 ASN 80 -7.212 -16.589 5.176 615 1HG GLU 81 1HG GLU 81 -11.904 -14.665 -2.283 616 2HG GLU 81 2HG GLU 81 -11.119 -15.030 -0.748 617 H GLY 82 H GLY 82 -7.187 -17.251 -1.765 618 1HA GLY 82 2HA GLY 82 -5.817 -19.153 -2.358 619 2HA GLY 82 1HA GLY 82 -7.244 -19.972 -2.976 620 H LYS 83 H LYS 83 -6.962 -16.680 -3.939 621 HA LYS 83 HA LYS 83 -6.224 -17.586 -6.692 622 1HB LYS 83 2HB LYS 83 -7.146 -14.792 -6.106 623 2HB LYS 83 1HB LYS 83 -7.389 -15.765 -7.547 624 1HG LYS 83 2HG LYS 83 -8.749 -16.155 -4.882 625 2HG LYS 83 1HG LYS 83 -9.492 -15.531 -6.341 626 1HD LYS 83 2HD LYS 83 -9.103 -17.676 -7.485 627 2HD LYS 83 1HD LYS 83 -8.331 -18.322 -6.040 628 1HE LYS 83 2HE LYS 83 -10.340 -18.340 -4.818 629 2HE LYS 83 1HE LYS 83 -11.136 -17.225 -5.929 630 1HZ LYS 83 1HZ LYS 83 -10.244 -19.530 -7.305 631 2HZ LYS 83 2HZ LYS 83 -11.821 -18.919 -7.151 632 3HZ LYS 83 3HZ LYS 83 -11.203 -19.986 -5.984 633 H VAL 84 H VAL 84 -4.028 -17.791 -6.194 634 HA VAL 84 HA VAL 84 -2.406 -15.593 -5.214 635 HB VAL 84 HB VAL 84 -1.557 -18.111 -6.685 636 1HG1 VAL 84 1HG1 VAL 84 -0.083 -16.019 -5.079 637 2HG1 VAL 84 2HG1 VAL 84 0.251 -16.570 -6.721 638 3HG1 VAL 84 3HG1 VAL 84 0.582 -17.630 -5.350 639 1HG2 VAL 84 1HG2 VAL 84 -2.906 -18.341 -4.476 640 2HG2 VAL 84 2HG2 VAL 84 -1.469 -17.674 -3.706 641 3HG2 VAL 84 3HG2 VAL 84 -1.366 -19.189 -4.595 642 H LYS 85 H LYS 85 -2.352 -17.266 -8.369 643 HA LYS 85 HA LYS 85 -0.837 -15.399 -9.776 644 1HB LYS 85 2HB LYS 85 -3.207 -17.021 -10.757 645 2HB LYS 85 1HB LYS 85 -2.107 -16.143 -11.816 646 1HG LYS 85 2HG LYS 85 -0.976 -18.153 -11.857 647 2HG LYS 85 1HG LYS 85 -0.274 -17.549 -10.364 648 1HD LYS 85 2HD LYS 85 -0.998 -19.591 -9.569 649 2HD LYS 85 1HD LYS 85 -2.498 -18.705 -9.324 650 1HE LYS 85 2HE LYS 85 -3.090 -19.424 -11.737 651 2HE LYS 85 1HE LYS 85 -1.777 -20.589 -11.562 652 1HZ LYS 85 1HZ LYS 85 -2.858 -21.651 -9.807 653 2HZ LYS 85 2HZ LYS 85 -4.107 -21.335 -10.914 654 3HZ LYS 85 3HZ LYS 85 -3.920 -20.357 -9.538 655 H GLU 86 H GLU 86 -4.283 -15.248 -8.974 656 HA GLU 86 HA GLU 86 -4.779 -12.851 -10.513 657 1HB GLU 86 2HB GLU 86 -6.254 -13.806 -8.027 658 2HB GLU 86 1HB GLU 86 -6.832 -12.644 -9.224 659 1HG GLU 86 2HG GLU 86 -6.555 -14.489 -10.973 660 2HG GLU 86 1HG GLU 86 -6.378 -15.609 -9.626 661 H ALA 87 H ALA 87 -3.936 -13.548 -7.122 662 HA ALA 87 HA ALA 87 -3.884 -10.771 -6.331 663 1HB ALA 87 1HB ALA 87 -2.818 -11.549 -4.311 664 2HB ALA 87 2HB ALA 87 -2.312 -13.046 -5.094 665 3HB ALA 87 3HB ALA 87 -4.021 -12.756 -4.765 666 H GLN 88 H GLN 88 -1.377 -13.064 -7.288 667 HA GLN 88 HA GLN 88 0.887 -11.399 -7.078 668 1HB GLN 88 2HB GLN 88 1.653 -13.500 -7.563 669 2HB GLN 88 1HB GLN 88 0.120 -13.955 -8.265 670 1HG GLN 88 2HG GLN 88 0.728 -13.128 -10.412 671 2HG GLN 88 1HG GLN 88 2.126 -12.304 -9.751 672 1HE2 GLN 88 1HE2 GLN 88 1.452 -15.544 -8.539 673 2HE2 GLN 88 2HE2 GLN 88 2.678 -16.320 -9.386 674 H ALA 89 H ALA 89 -1.126 -12.032 -9.979 675 HA ALA 89 HA ALA 89 0.127 -10.162 -11.693 676 1HB ALA 89 1HB ALA 89 -2.164 -10.060 -12.827 677 2HB ALA 89 2HB ALA 89 -2.740 -11.134 -11.553 678 3HB ALA 89 3HB ALA 89 -1.471 -11.672 -12.653 679 H ALA 90 H ALA 90 -2.523 -9.706 -9.344 680 HA ALA 90 HA ALA 90 -3.004 -6.944 -9.954 681 1HB ALA 90 1HB ALA 90 -3.871 -6.836 -7.587 682 2HB ALA 90 2HB ALA 90 -3.291 -8.484 -7.347 683 3HB ALA 90 3HB ALA 90 -4.562 -8.161 -8.525 684 H ALA 91 H ALA 91 -0.632 -8.605 -7.911 685 HA ALA 91 HA ALA 91 0.475 -6.485 -6.475 686 1HB ALA 91 1HB ALA 91 1.217 -8.982 -6.612 687 2HB ALA 91 2HB ALA 91 2.443 -7.761 -6.282 688 3HB ALA 91 3HB ALA 91 2.282 -8.433 -7.905 689 H GLU 92 H GLU 92 1.101 -7.359 -9.885 690 HA GLU 92 HA GLU 92 2.972 -5.243 -10.381 691 1HB GLU 92 2HB GLU 92 1.074 -6.728 -12.228 692 2HB GLU 92 1HB GLU 92 2.255 -5.551 -12.795 693 1HG GLU 92 2HG GLU 92 3.736 -7.291 -12.923 694 2HG GLU 92 1HG GLU 92 3.798 -7.238 -11.164 695 H GLN 93 H GLN 93 -0.511 -5.380 -10.122 696 HA GLN 93 HA GLN 93 -1.000 -2.794 -11.355 697 1HB GLN 93 2HB GLN 93 -2.716 -4.700 -10.914 698 2HB GLN 93 1HB GLN 93 -2.732 -4.140 -9.249 699 1HG GLN 93 2HG GLN 93 -3.129 -1.989 -11.272 700 2HG GLN 93 1HG GLN 93 -4.409 -3.197 -11.199 701 1HE2 GLN 93 1HE2 GLN 93 -2.412 -1.902 -8.476 702 2HE2 GLN 93 2HE2 GLN 93 -3.731 -1.283 -7.600 703 H LEU 94 H LEU 94 -0.407 -4.078 -8.118 704 HA LEU 94 HA LEU 94 -0.779 -1.607 -6.718 705 1HB LEU 94 2HB LEU 94 0.640 -4.188 -6.091 706 2HB LEU 94 1HB LEU 94 0.834 -2.799 -5.025 707 HG LEU 94 HG LEU 94 -1.640 -2.655 -4.815 708 1HD1 LEU 94 1HD1 LEU 94 -2.349 -3.701 -6.879 709 2HD1 LEU 94 2HD1 LEU 94 -2.922 -4.714 -5.555 710 3HD1 LEU 94 3HD1 LEU 94 -1.495 -5.182 -6.459 711 1HD2 LEU 94 1HD2 LEU 94 -1.903 -4.765 -3.472 712 2HD2 LEU 94 2HD2 LEU 94 -0.434 -3.865 -3.092 713 3HD2 LEU 94 3HD2 LEU 94 -0.356 -5.305 -4.110 714 H LYS 95 H LYS 95 2.026 -3.168 -8.233 715 HA LYS 95 HA LYS 95 4.029 -1.330 -7.413 716 1HB LYS 95 2HB LYS 95 3.663 -2.870 -10.009 717 2HB LYS 95 1HB LYS 95 5.117 -1.943 -9.628 718 1HG LYS 95 2HG LYS 95 4.864 -3.460 -7.337 719 2HG LYS 95 1HG LYS 95 4.188 -4.557 -8.528 720 1HD LYS 95 2HD LYS 95 6.565 -4.981 -8.330 721 2HD LYS 95 1HD LYS 95 6.253 -4.267 -9.911 722 1HE LYS 95 2HE LYS 95 7.392 -2.324 -9.395 723 2HE LYS 95 1HE LYS 95 6.868 -2.335 -7.707 724 1HZ LYS 95 1HZ LYS 95 9.231 -2.769 -7.920 725 2HZ LYS 95 2HZ LYS 95 8.920 -4.124 -8.897 726 3HZ LYS 95 3HZ LYS 95 8.429 -4.114 -7.270 727 H THR 96 H THR 96 1.609 -1.184 -9.982 728 HA THR 96 HA THR 96 2.519 1.326 -11.106 729 HB THR 96 HB THR 96 -0.324 0.285 -11.179 730 HG1 THR 96 1HG THR 96 0.458 -0.844 -13.084 731 1HG2 THR 96 1HG2 THR 96 1.392 1.816 -13.152 732 2HG2 THR 96 2HG2 THR 96 0.102 2.499 -12.162 733 3HG2 THR 96 3HG2 THR 96 -0.278 1.323 -13.421 734 H THR 97 H THR 97 0.391 0.436 -8.418 735 HA THR 97 HA THR 97 -0.832 2.997 -8.101 736 HB THR 97 HB THR 97 -0.477 0.605 -6.414 737 HG1 THR 97 1HG THR 97 -2.571 0.746 -6.443 738 1HG2 THR 97 1HG2 THR 97 -0.722 3.342 -5.164 739 2HG2 THR 97 2HG2 THR 97 0.458 2.087 -4.786 740 3HG2 THR 97 3HG2 THR 97 -1.238 1.867 -4.345 741 H ILE 98 H ILE 98 2.215 1.602 -6.931 742 HA ILE 98 HA ILE 98 3.153 3.674 -5.298 743 HB ILE 98 HB ILE 98 4.819 2.149 -7.307 744 1HG1 ILE 98 2HG1 ILE 98 3.834 1.355 -4.548 745 2HG1 ILE 98 1HG1 ILE 98 3.471 0.548 -6.074 746 1HG2 ILE 98 1HG2 ILE 98 5.597 3.086 -4.538 747 2HG2 ILE 98 2HG2 ILE 98 5.810 4.110 -5.958 748 3HG2 ILE 98 3HG2 ILE 98 6.655 2.567 -5.849 749 1HD1 ILE 98 1HD1 ILE 98 6.114 0.673 -4.615 750 2HD1 ILE 98 2HD1 ILE 98 6.005 0.210 -6.313 751 3HD1 ILE 98 3HD1 ILE 98 5.195 -0.758 -5.083 752 H ARG 99 H ARG 99 3.149 3.350 -8.828 753 HA ARG 99 HA ARG 99 4.627 5.747 -9.320 754 1HB ARG 99 2HB ARG 99 3.967 3.817 -10.968 755 2HB ARG 99 1HB ARG 99 2.508 4.770 -11.222 756 1HG ARG 99 2HG ARG 99 3.885 5.682 -12.868 757 2HG ARG 99 1HG ARG 99 4.240 6.770 -11.522 758 1HD ARG 99 2HD ARG 99 6.378 6.187 -12.278 759 2HD ARG 99 1HD ARG 99 6.137 5.049 -10.963 760 HE ARG 99 HE ARG 99 5.984 4.400 -13.870 761 1HH1 ARG 99 1HH2 ARG 99 5.946 3.397 -10.542 762 2HH1 ARG 99 2HH2 ARG 99 6.179 1.728 -10.926 763 1HH2 ARG 99 1HH1 ARG 99 6.261 2.230 -14.349 764 2HH2 ARG 99 2HH1 ARG 99 6.351 1.067 -13.067 765 H ALA 100 H ALA 100 1.100 5.117 -9.321 766 HA ALA 100 HA ALA 100 0.338 7.854 -9.725 767 1HB ALA 100 1HB ALA 100 -1.860 7.057 -8.668 768 2HB ALA 100 2HB ALA 100 -1.094 5.476 -8.523 769 3HB ALA 100 3HB ALA 100 -1.335 6.198 -10.114 770 H TYR 101 H TYR 101 1.481 6.116 -6.970 771 HA TYR 101 HA TYR 101 0.394 7.912 -4.974 772 1HB TYR 101 2HB TYR 101 1.014 5.740 -4.219 773 2HB TYR 101 1HB TYR 101 2.574 5.844 -5.001 774 HD1 TYR 101 1HD TYR 101 4.357 7.243 -4.125 775 HD2 TYR 101 2HD TYR 101 0.650 6.721 -2.036 776 HE1 TYR 101 1HE TYR 101 5.404 8.107 -2.056 777 HE2 TYR 101 2HE TYR 101 1.696 7.579 0.039 778 HH TYR 101 HH TYR 101 3.526 8.425 0.962 779 H ASN 102 H ASN 102 3.284 7.737 -6.976 780 HA ASN 102 HA ASN 102 4.745 9.810 -5.625 781 1HB ASN 102 2HB ASN 102 6.152 8.700 -7.065 782 2HB ASN 102 1HB ASN 102 4.917 8.492 -8.304 783 1HD2 ASN 102 1HD2 ASN 102 5.805 11.599 -6.771 784 2HD2 ASN 102 2HD2 ASN 102 6.419 12.311 -8.185 785 H GLN 103 H GLN 103 2.120 9.815 -7.974 786 HA GLN 103 HA GLN 103 2.333 12.602 -8.649 787 1HB GLN 103 2HB GLN 103 0.894 11.478 -10.116 788 2HB GLN 103 1HB GLN 103 0.194 10.489 -8.845 789 1HG GLN 103 2HG GLN 103 -0.247 13.454 -8.845 790 2HG GLN 103 1HG GLN 103 -1.226 12.436 -9.896 791 1HE2 GLN 103 1HE2 GLN 103 -0.308 10.689 -7.121 792 2HE2 GLN 103 2HE2 GLN 103 -1.719 10.919 -6.208 793 H LYS 104 H LYS 104 1.185 10.709 -6.007 794 HA LYS 104 HA LYS 104 -0.157 12.946 -4.653 795 1HB LYS 104 2HB LYS 104 -1.148 11.223 -3.552 796 2HB LYS 104 1HB LYS 104 -0.121 10.098 -4.402 797 1HG LYS 104 2HG LYS 104 1.468 10.053 -2.667 798 2HG LYS 104 1HG LYS 104 0.833 11.506 -1.909 799 1HD LYS 104 2HD LYS 104 -0.967 9.118 -2.205 800 2HD LYS 104 1HD LYS 104 0.240 9.135 -0.934 801 1HE LYS 104 2HE LYS 104 -0.671 11.127 0.045 802 2HE LYS 104 1HE LYS 104 -1.737 11.385 -1.332 803 1HZ LYS 104 1HZ LYS 104 -2.824 9.262 -0.793 804 2HZ LYS 104 2HZ LYS 104 -2.971 10.406 0.454 805 3HZ LYS 104 3HZ LYS 104 -1.857 9.132 0.594 806 H TYR 105 H TYR 105 2.865 11.085 -4.362 807 HA TYR 105 HA TYR 105 3.988 13.089 -2.521 808 1HB TYR 105 2HB TYR 105 4.639 10.336 -3.302 809 2HB TYR 105 1HB TYR 105 6.073 11.354 -3.303 810 HD1 TYR 105 1HD TYR 105 2.997 10.907 -1.264 811 HD2 TYR 105 2HD TYR 105 7.246 11.440 -1.270 812 HE1 TYR 105 1HE TYR 105 3.004 10.805 1.216 813 HE2 TYR 105 2HE TYR 105 7.266 11.337 1.209 814 HH TYR 105 HH TYR 105 4.829 11.855 3.074 815 H GLY 106 H GLY 106 3.179 13.866 -5.224 816 1HA GLY 106 2HA GLY 106 5.705 15.190 -5.993 817 2HA GLY 106 1HA GLY 106 4.990 14.144 -7.221 Start of MODEL 2 1 1H ALA 1 1HT ALA 1 16.802 4.906 11.285 2 2H ALA 1 2HT ALA 1 17.127 4.580 9.650 3 3H ALA 1 3HT ALA 1 16.078 3.573 10.527 4 HA ALA 1 HA ALA 1 15.213 6.281 10.624 5 1HB ALA 1 1HB ALA 1 15.809 5.015 7.958 6 2HB ALA 1 2HB ALA 1 16.105 6.670 8.486 7 3HB ALA 1 3HB ALA 1 14.462 6.141 8.128 8 H ASP 2 H ASP 2 13.047 6.156 11.025 9 HA ASP 2 HA ASP 2 11.805 3.492 11.162 10 1HB ASP 2 2HB ASP 2 11.024 6.284 11.969 11 2HB ASP 2 1HB ASP 2 9.830 4.983 11.988 12 H LEU 3 H LEU 3 11.869 6.173 9.020 13 HA LEU 3 HA LEU 3 9.289 5.506 7.770 14 1HB LEU 3 2HB LEU 3 11.374 7.493 6.817 15 2HB LEU 3 1HB LEU 3 9.679 7.421 6.344 16 HG LEU 3 HG LEU 3 10.785 8.133 9.075 17 1HD1 LEU 3 1HD1 LEU 3 9.047 9.677 7.127 18 2HD1 LEU 3 2HD1 LEU 3 10.788 9.897 7.308 19 3HD1 LEU 3 3HD1 LEU 3 9.707 10.280 8.648 20 1HD2 LEU 3 1HD2 LEU 3 8.844 6.886 9.599 21 2HD2 LEU 3 2HD2 LEU 3 7.989 7.441 8.159 22 3HD2 LEU 3 3HD2 LEU 3 8.245 8.542 9.513 23 H GLU 4 H GLU 4 12.735 5.558 6.843 24 HA GLU 4 HA GLU 4 12.352 4.325 4.283 25 1HB GLU 4 2HB GLU 4 14.758 4.051 6.109 26 2HB GLU 4 1HB GLU 4 14.730 3.854 4.362 27 1HG GLU 4 2HG GLU 4 13.957 6.455 5.696 28 2HG GLU 4 1HG GLU 4 15.610 6.100 5.203 29 H ASP 5 H ASP 5 12.364 3.271 7.556 30 HA ASP 5 HA ASP 5 12.856 0.465 6.993 31 1HB ASP 5 2HB ASP 5 13.354 1.071 9.192 32 2HB ASP 5 1HB ASP 5 11.949 2.126 9.312 33 H ASN 6 H ASN 6 9.889 2.309 7.853 34 HA ASN 6 HA ASN 6 8.060 0.188 7.601 35 1HB ASN 6 2HB ASN 6 6.929 2.007 8.436 36 2HB ASN 6 1HB ASN 6 7.942 3.148 7.562 37 1HD2 ASN 6 1HD2 ASN 6 7.500 3.010 5.033 38 2HD2 ASN 6 2HD2 ASN 6 5.864 2.995 4.584 39 H TRP 7 H TRP 7 9.304 2.388 5.088 40 HA TRP 7 HA TRP 7 7.762 1.550 2.895 41 1HB TRP 7 2HB TRP 7 10.613 2.495 3.179 42 2HB TRP 7 1HB TRP 7 10.071 1.914 1.608 43 HD1 TRP 7 HD TRP 7 8.428 4.246 4.256 44 HE1 TRP 7 1HE TRP 7 7.578 6.343 3.033 45 HE3 TRP 7 3HE TRP 7 9.933 3.162 -0.502 46 HZ2 TRP 7 2HZ TRP 7 7.546 7.426 0.397 47 HZ3 TRP 7 3HZ TRP 7 9.483 4.752 -2.350 48 HH2 TRP 7 HH TRP 7 8.292 6.881 -1.908 49 H GLU 8 H GLU 8 10.881 0.112 3.932 50 HA GLU 8 HA GLU 8 10.927 -1.981 2.091 51 1HB GLU 8 2HB GLU 8 12.710 -1.328 3.781 52 2HB GLU 8 1HB GLU 8 11.766 -2.208 4.980 53 1HG GLU 8 2HG GLU 8 11.839 -4.182 3.402 54 2HG GLU 8 1HG GLU 8 13.066 -3.305 2.489 55 H THR 9 H THR 9 8.914 -1.539 4.928 56 HA THR 9 HA THR 9 8.178 -4.303 5.213 57 HB THR 9 HB THR 9 6.444 -1.952 6.005 58 HG1 THR 9 1HG THR 9 8.655 -1.804 6.748 59 1HG2 THR 9 1HG2 THR 9 5.585 -3.465 7.661 60 2HG2 THR 9 2HG2 THR 9 6.800 -4.677 7.254 61 3HG2 THR 9 3HG2 THR 9 5.523 -4.286 6.101 62 H LEU 10 H LEU 10 6.136 -1.629 3.924 63 HA LEU 10 HA LEU 10 4.294 -3.454 2.734 64 1HB LEU 10 2HB LEU 10 3.917 -1.369 1.100 65 2HB LEU 10 1HB LEU 10 3.322 -1.355 2.755 66 HG LEU 10 HG LEU 10 6.118 -0.392 2.267 67 1HD1 LEU 10 1HD1 LEU 10 5.086 1.939 1.927 68 2HD1 LEU 10 2HD1 LEU 10 3.603 1.088 1.500 69 3HD1 LEU 10 3HD1 LEU 10 5.062 0.848 0.541 70 1HD2 LEU 10 1HD2 LEU 10 5.740 0.864 4.227 71 2HD2 LEU 10 2HD2 LEU 10 4.829 -0.608 4.541 72 3HD2 LEU 10 3HD2 LEU 10 3.992 0.850 4.018 73 H ASN 11 H ASN 11 7.384 -2.145 1.684 74 HA ASN 11 HA ASN 11 7.127 -3.058 -1.059 75 1HB ASN 11 2HB ASN 11 8.889 -1.403 0.096 76 2HB ASN 11 1HB ASN 11 9.833 -2.882 0.252 77 1HD2 ASN 11 1HD2 ASN 11 8.691 -4.044 -2.292 78 2HD2 ASN 11 2HD2 ASN 11 9.396 -3.165 -3.565 79 H ASP 12 H ASP 12 8.902 -4.379 1.754 80 HA ASP 12 HA ASP 12 9.637 -6.849 0.547 81 1HB ASP 12 2HB ASP 12 10.672 -6.052 2.620 82 2HB ASP 12 1HB ASP 12 9.136 -6.221 3.472 83 H ASN 13 H ASN 13 6.565 -5.737 1.573 84 HA ASN 13 HA ASN 13 5.391 -8.309 2.234 85 1HB ASN 13 2HB ASN 13 4.504 -5.516 1.818 86 2HB ASN 13 1HB ASN 13 3.336 -6.695 1.312 87 1HD2 ASN 13 1HD2 ASN 13 3.468 -4.741 3.700 88 2HD2 ASN 13 2HD2 ASN 13 3.053 -5.724 5.034 89 H LEU 14 H LEU 14 5.445 -6.163 -0.579 90 HA LEU 14 HA LEU 14 3.921 -7.671 -2.402 91 1HB LEU 14 2HB LEU 14 6.174 -5.700 -2.678 92 2HB LEU 14 1HB LEU 14 5.443 -6.420 -4.111 93 HG LEU 14 HG LEU 14 3.533 -5.339 -2.073 94 1HD1 LEU 14 1HD1 LEU 14 5.619 -3.607 -3.187 95 2HD1 LEU 14 2HD1 LEU 14 4.431 -3.284 -1.940 96 3HD1 LEU 14 3HD1 LEU 14 4.004 -3.068 -3.630 97 1HD2 LEU 14 1HD2 LEU 14 3.598 -4.941 -5.075 98 2HD2 LEU 14 2HD2 LEU 14 2.210 -4.869 -3.991 99 3HD2 LEU 14 3HD2 LEU 14 2.982 -6.415 -4.319 100 H LYS 15 H LYS 15 7.331 -8.000 -1.504 101 HA LYS 15 HA LYS 15 7.992 -9.792 -3.669 102 1HB LYS 15 2HB LYS 15 9.682 -8.602 -2.208 103 2HB LYS 15 1HB LYS 15 9.246 -9.711 -0.910 104 1HG LYS 15 2HG LYS 15 9.722 -11.527 -2.893 105 2HG LYS 15 1HG LYS 15 10.803 -10.235 -3.410 106 1HD LYS 15 2HD LYS 15 12.189 -11.473 -1.995 107 2HD LYS 15 1HD LYS 15 11.576 -10.240 -0.893 108 1HE LYS 15 2HE LYS 15 11.312 -12.295 0.278 109 2HE LYS 15 1HE LYS 15 9.698 -11.920 -0.332 110 1HZ LYS 15 1HZ LYS 15 11.093 -13.328 -2.307 111 2HZ LYS 15 2HZ LYS 15 9.712 -13.812 -1.445 112 3HZ LYS 15 3HZ LYS 15 11.260 -14.177 -0.849 113 H VAL 16 H VAL 16 6.888 -10.284 -0.323 114 HA VAL 16 HA VAL 16 7.044 -13.114 -0.317 115 HB VAL 16 HB VAL 16 5.130 -11.243 1.109 116 1HG1 VAL 16 1HG1 VAL 16 5.514 -14.236 1.311 117 2HG1 VAL 16 2HG1 VAL 16 4.008 -13.347 1.075 118 3HG1 VAL 16 3HG1 VAL 16 4.834 -13.288 2.634 119 1HG2 VAL 16 1HG2 VAL 16 7.498 -11.015 1.750 120 2HG2 VAL 16 2HG2 VAL 16 7.616 -12.757 1.988 121 3HG2 VAL 16 3HG2 VAL 16 6.596 -11.788 3.050 122 H ILE 17 H ILE 17 4.794 -10.972 -1.911 123 HA ILE 17 HA ILE 17 2.699 -12.931 -2.296 124 HB ILE 17 HB ILE 17 3.265 -10.546 -4.063 125 1HG1 ILE 17 2HG1 ILE 17 1.902 -10.709 -1.358 126 2HG1 ILE 17 1HG1 ILE 17 3.368 -9.829 -1.763 127 1HG2 ILE 17 1HG2 ILE 17 1.506 -12.165 -4.777 128 2HG2 ILE 17 2HG2 ILE 17 0.825 -10.595 -4.356 129 3HG2 ILE 17 3HG2 ILE 17 0.703 -11.940 -3.227 130 1HD1 ILE 17 1HD1 ILE 17 1.647 -8.185 -1.778 131 2HD1 ILE 17 2HD1 ILE 17 0.554 -9.238 -2.673 132 3HD1 ILE 17 3HD1 ILE 17 1.962 -8.544 -3.476 133 H GLU 18 H GLU 18 4.689 -11.488 -4.906 134 HA GLU 18 HA GLU 18 4.276 -13.474 -6.815 135 1HB GLU 18 2HB GLU 18 7.068 -12.389 -6.565 136 2HB GLU 18 1HB GLU 18 6.038 -12.527 -7.995 137 1HG GLU 18 2HG GLU 18 4.546 -10.759 -6.697 138 2HG GLU 18 1HG GLU 18 6.046 -10.411 -5.857 139 H LYS 19 H LYS 19 6.253 -13.595 -3.962 140 HA LYS 19 HA LYS 19 7.294 -16.287 -4.744 141 1HB LYS 19 2HB LYS 19 8.309 -14.085 -3.059 142 2HB LYS 19 1HB LYS 19 8.486 -15.662 -2.307 143 1HG LYS 19 2HG LYS 19 10.486 -15.232 -3.591 144 2HG LYS 19 1HG LYS 19 9.561 -16.467 -4.428 145 1HD LYS 19 2HD LYS 19 10.141 -15.008 -6.174 146 2HD LYS 19 1HD LYS 19 8.503 -14.508 -5.771 147 1HE LYS 19 2HE LYS 19 9.197 -12.477 -4.931 148 2HE LYS 19 1HE LYS 19 10.713 -13.117 -4.301 149 1HZ LYS 19 1HZ LYS 19 11.243 -13.411 -6.814 150 2HZ LYS 19 2HZ LYS 19 11.438 -11.897 -6.066 151 3HZ LYS 19 3HZ LYS 19 10.062 -12.211 -7.011 152 H ALA 20 H ALA 20 4.637 -15.049 -3.233 153 HA ALA 20 HA ALA 20 4.421 -16.550 -0.821 154 1HB ALA 20 1HB ALA 20 1.885 -16.524 -1.419 155 2HB ALA 20 2HB ALA 20 2.365 -15.542 -2.791 156 3HB ALA 20 3HB ALA 20 2.678 -14.976 -1.152 157 H ASP 21 H ASP 21 3.787 -17.343 -4.170 158 HA ASP 21 HA ASP 21 3.481 -19.358 -5.277 159 1HB ASP 21 2HB ASP 21 5.118 -20.169 -2.880 160 2HB ASP 21 1HB ASP 21 4.534 -21.387 -4.007 161 H ASN 22 H ASN 22 1.976 -18.810 -2.257 162 HA ASN 22 HA ASN 22 -0.098 -20.773 -3.016 163 1HB ASN 22 2HB ASN 22 0.684 -20.804 -0.114 164 2HB ASN 22 1HB ASN 22 -0.109 -22.051 -1.079 165 1HD2 ASN 22 1HD2 ASN 22 2.953 -20.223 -1.263 166 2HD2 ASN 22 2HD2 ASN 22 3.916 -21.577 -1.562 167 H ALA 23 H ALA 23 -2.137 -20.182 -2.343 168 HA ALA 23 HA ALA 23 -2.698 -17.456 -1.844 169 1HB ALA 23 1HB ALA 23 -4.550 -19.698 -1.049 170 2HB ALA 23 2HB ALA 23 -4.245 -19.300 -2.740 171 3HB ALA 23 3HB ALA 23 -4.964 -18.098 -1.668 172 H ALA 24 H ALA 24 -1.824 -19.941 0.438 173 HA ALA 24 HA ALA 24 -3.102 -18.780 2.737 174 1HB ALA 24 1HB ALA 24 -2.343 -21.012 2.982 175 2HB ALA 24 2HB ALA 24 -1.262 -20.056 3.996 176 3HB ALA 24 3HB ALA 24 -0.724 -20.611 2.411 177 H GLN 25 H GLN 25 0.244 -18.502 1.519 178 HA GLN 25 HA GLN 25 1.026 -16.557 3.480 179 1HB GLN 25 2HB GLN 25 2.385 -16.766 0.808 180 2HB GLN 25 1HB GLN 25 3.085 -16.553 2.402 181 1HG GLN 25 2HG GLN 25 2.148 -18.941 2.884 182 2HG GLN 25 1HG GLN 25 2.029 -19.074 1.126 183 1HE2 GLN 25 1HE2 GLN 25 4.225 -18.214 0.006 184 2HE2 GLN 25 2HE2 GLN 25 5.649 -18.822 0.702 185 H VAL 26 H VAL 26 -0.738 -16.306 0.512 186 HA VAL 26 HA VAL 26 -0.038 -13.553 -0.079 187 HB VAL 26 HB VAL 26 -2.579 -15.029 -0.850 188 1HG1 VAL 26 1HG1 VAL 26 -2.910 -13.335 -2.490 189 2HG1 VAL 26 2HG1 VAL 26 -1.280 -12.702 -2.289 190 3HG1 VAL 26 3HG1 VAL 26 -2.484 -12.439 -1.039 191 1HG2 VAL 26 1HG2 VAL 26 -0.077 -14.580 -2.499 192 2HG2 VAL 26 2HG2 VAL 26 -1.452 -15.603 -2.903 193 3HG2 VAL 26 3HG2 VAL 26 -0.370 -16.057 -1.600 194 H LYS 27 H LYS 27 -2.833 -15.050 1.659 195 HA LYS 27 HA LYS 27 -4.131 -12.616 2.309 196 1HB LYS 27 2HB LYS 27 -3.737 -15.067 4.047 197 2HB LYS 27 1HB LYS 27 -4.879 -13.783 4.397 198 1HG LYS 27 2HG LYS 27 -6.444 -14.687 3.010 199 2HG LYS 27 1HG LYS 27 -5.301 -14.793 1.679 200 1HD LYS 27 2HD LYS 27 -6.058 -17.047 2.259 201 2HD LYS 27 1HD LYS 27 -4.361 -16.861 2.679 202 1HE LYS 27 2HE LYS 27 -4.764 -16.904 4.950 203 2HE LYS 27 1HE LYS 27 -6.378 -16.209 4.792 204 1HZ LYS 27 1HZ LYS 27 -5.860 -18.812 5.222 205 2HZ LYS 27 2HZ LYS 27 -6.063 -18.785 3.534 206 3HZ LYS 27 3HZ LYS 27 -7.298 -18.212 4.549 207 H ASP 28 H ASP 28 -1.805 -14.518 4.121 208 HA ASP 28 HA ASP 28 -1.238 -12.770 6.230 209 1HB ASP 28 2HB ASP 28 0.689 -14.592 4.754 210 2HB ASP 28 1HB ASP 28 0.912 -13.978 6.390 211 H ALA 29 H ALA 29 -0.012 -12.756 2.909 212 HA ALA 29 HA ALA 29 2.063 -10.836 3.386 213 1HB ALA 29 1HB ALA 29 1.895 -12.323 1.352 214 2HB ALA 29 2HB ALA 29 2.197 -10.626 0.982 215 3HB ALA 29 3HB ALA 29 0.577 -11.296 0.786 216 H LEU 30 H LEU 30 -0.999 -10.359 1.594 217 HA LEU 30 HA LEU 30 -0.896 -7.522 1.729 218 1HB LEU 30 2HB LEU 30 -3.217 -9.427 1.350 219 2HB LEU 30 1HB LEU 30 -3.371 -7.680 1.192 220 HG LEU 30 HG LEU 30 -1.307 -9.247 -0.361 221 1HD1 LEU 30 1HD1 LEU 30 -2.902 -9.229 -2.257 222 2HD1 LEU 30 2HD1 LEU 30 -4.138 -8.557 -1.197 223 3HD1 LEU 30 3HD1 LEU 30 -3.508 -10.178 -0.901 224 1HD2 LEU 30 1HD2 LEU 30 -1.833 -6.452 -0.069 225 2HD2 LEU 30 2HD2 LEU 30 -2.385 -6.885 -1.682 226 3HD2 LEU 30 3HD2 LEU 30 -0.728 -7.227 -1.198 227 H THR 31 H THR 31 -1.757 -9.853 4.123 228 HA THR 31 HA THR 31 -3.575 -8.316 5.717 229 HB THR 31 HB THR 31 -1.512 -10.394 6.521 230 HG1 THR 31 1HG THR 31 -4.112 -10.425 5.558 231 1HG2 THR 31 1HG2 THR 31 -1.983 -9.278 8.534 232 2HG2 THR 31 2HG2 THR 31 -3.159 -10.592 8.529 233 3HG2 THR 31 3HG2 THR 31 -3.659 -8.961 8.084 234 H LYS 32 H LYS 32 -0.049 -8.718 5.945 235 HA LYS 32 HA LYS 32 0.260 -6.758 8.029 236 1HB LYS 32 2HB LYS 32 2.099 -8.172 6.113 237 2HB LYS 32 1HB LYS 32 2.725 -6.894 7.162 238 1HG LYS 32 2HG LYS 32 1.783 -8.141 9.132 239 2HG LYS 32 1HG LYS 32 1.306 -9.434 8.035 240 1HD LYS 32 2HD LYS 32 3.365 -10.295 8.612 241 2HD LYS 32 1HD LYS 32 3.926 -9.224 7.332 242 1HE LYS 32 2HE LYS 32 4.034 -8.816 10.317 243 2HE LYS 32 1HE LYS 32 5.340 -8.697 9.138 244 1HZ LYS 32 1HZ LYS 32 3.042 -6.874 8.944 245 2HZ LYS 32 2HZ LYS 32 4.648 -6.640 8.442 246 3HZ LYS 32 3HZ LYS 32 4.250 -6.563 10.091 247 H MET 33 H MET 33 0.027 -6.575 4.550 248 HA MET 33 HA MET 33 1.252 -3.981 4.197 249 1HB MET 33 2HB MET 33 -0.940 -5.402 2.670 250 2HB MET 33 1HB MET 33 -0.188 -3.900 2.134 251 1HG MET 33 2HG MET 33 2.034 -5.089 2.305 252 2HG MET 33 1HG MET 33 1.133 -6.588 2.493 253 1HE MET 33 1HE MET 33 2.552 -3.940 0.428 254 2HE MET 33 2HE MET 33 0.940 -3.291 0.147 255 3HE MET 33 3HE MET 33 1.826 -4.036 -1.172 256 H ARG 34 H ARG 34 -2.142 -4.944 4.198 257 HA ARG 34 HA ARG 34 -3.349 -2.434 4.391 258 1HB ARG 34 2HB ARG 34 -4.343 -4.902 4.334 259 2HB ARG 34 1HB ARG 34 -4.395 -4.720 6.077 260 1HG ARG 34 2HG ARG 34 -6.327 -3.518 5.924 261 2HG ARG 34 1HG ARG 34 -5.542 -2.323 4.910 262 1HD ARG 34 2HD ARG 34 -5.935 -3.986 2.961 263 2HD ARG 34 1HD ARG 34 -7.048 -4.794 4.060 264 HE ARG 34 HE ARG 34 -7.515 -2.277 2.718 265 1HH1 ARG 34 1HH2 ARG 34 -8.140 -4.217 5.499 266 2HH1 ARG 34 2HH2 ARG 34 -9.652 -3.451 5.860 267 1HH2 ARG 34 1HH1 ARG 34 -9.503 -1.270 3.168 268 2HH2 ARG 34 2HH1 ARG 34 -10.422 -1.788 4.542 269 H ALA 35 H ALA 35 -1.606 -4.277 6.743 270 HA ALA 35 HA ALA 35 -2.411 -2.685 9.048 271 1HB ALA 35 1HB ALA 35 -1.462 -5.100 9.023 272 2HB ALA 35 2HB ALA 35 -0.922 -4.007 10.296 273 3HB ALA 35 3HB ALA 35 0.117 -4.325 8.910 274 H ALA 36 H ALA 36 0.843 -3.031 7.527 275 HA ALA 36 HA ALA 36 1.829 -0.628 8.731 276 1HB ALA 36 1HB ALA 36 3.562 -0.783 6.820 277 2HB ALA 36 2HB ALA 36 2.713 -2.254 6.348 278 3HB ALA 36 3HB ALA 36 3.468 -2.144 7.939 279 H ALA 37 H ALA 37 0.036 -1.175 5.752 280 HA ALA 37 HA ALA 37 0.575 1.320 4.491 281 1HB ALA 37 1HB ALA 37 -2.077 -0.147 4.464 282 2HB ALA 37 2HB ALA 37 -0.692 -0.637 3.491 283 3HB ALA 37 3HB ALA 37 -1.443 0.935 3.223 284 H LEU 38 H LEU 38 -1.869 0.383 6.909 285 HA LEU 38 HA LEU 38 -3.114 2.969 7.041 286 1HB LEU 38 2HB LEU 38 -2.966 0.668 9.006 287 2HB LEU 38 1HB LEU 38 -3.883 2.132 9.337 288 HG LEU 38 HG LEU 38 -4.338 0.600 6.771 289 1HD1 LEU 38 1HD1 LEU 38 -5.767 0.085 9.399 290 2HD1 LEU 38 2HD1 LEU 38 -4.568 -0.996 8.692 291 3HD1 LEU 38 3HD1 LEU 38 -6.092 -0.701 7.854 292 1HD2 LEU 38 1HD2 LEU 38 -5.997 2.472 8.491 293 2HD2 LEU 38 2HD2 LEU 38 -6.663 1.556 7.145 294 3HD2 LEU 38 3HD2 LEU 38 -5.414 2.758 6.851 295 H ASP 39 H ASP 39 -0.156 1.674 8.308 296 HA ASP 39 HA ASP 39 0.106 3.752 10.375 297 1HB ASP 39 2HB ASP 39 1.112 1.510 10.694 298 2HB ASP 39 1HB ASP 39 2.147 1.783 9.293 299 H ALA 40 H ALA 40 1.596 3.042 7.202 300 HA ALA 40 HA ALA 40 3.401 5.218 7.134 301 1HB ALA 40 1HB ALA 40 1.807 4.036 4.834 302 2HB ALA 40 2HB ALA 40 3.371 3.458 5.405 303 3HB ALA 40 3HB ALA 40 3.240 5.052 4.662 304 H GLN 41 H GLN 41 -0.052 5.161 6.923 305 HA GLN 41 HA GLN 41 -0.705 7.468 5.516 306 1HB GLN 41 2HB GLN 41 -2.398 6.031 6.516 307 2HB GLN 41 1HB GLN 41 -1.850 6.450 8.134 308 1HG GLN 41 2HG GLN 41 -2.666 8.689 6.304 309 2HG GLN 41 1HG GLN 41 -3.936 7.704 7.027 310 1HE2 GLN 41 1HE2 GLN 41 -1.690 10.265 7.626 311 2HE2 GLN 41 2HE2 GLN 41 -1.992 10.428 9.287 312 H LYS 42 H LYS 42 0.176 7.322 8.984 313 HA LYS 42 HA LYS 42 0.170 10.189 9.330 314 1HB LYS 42 2HB LYS 42 1.489 7.976 10.931 315 2HB LYS 42 1HB LYS 42 1.496 9.669 11.413 316 1HG LYS 42 2HG LYS 42 -0.376 8.981 12.586 317 2HG LYS 42 1HG LYS 42 -1.144 9.422 11.075 318 1HD LYS 42 2HD LYS 42 -2.035 7.315 11.184 319 2HD LYS 42 1HD LYS 42 -0.485 6.821 10.526 320 1HE LYS 42 2HE LYS 42 -1.177 6.954 13.475 321 2HE LYS 42 1HE LYS 42 -1.098 5.489 12.507 322 1HZ LYS 42 1HZ LYS 42 1.280 6.532 11.985 323 2HZ LYS 42 2HZ LYS 42 1.002 5.456 13.271 324 3HZ LYS 42 3HZ LYS 42 1.052 7.132 13.553 325 H ALA 43 H ALA 43 2.125 8.432 7.391 326 HA ALA 43 HA ALA 43 4.697 9.634 8.130 327 1HB ALA 43 1HB ALA 43 5.616 8.386 6.338 328 2HB ALA 43 2HB ALA 43 4.063 8.271 5.509 329 3HB ALA 43 3HB ALA 43 4.344 7.356 6.991 330 H THR 44 H THR 44 5.802 11.233 6.913 331 HA THR 44 HA THR 44 4.412 12.564 4.675 332 HB THR 44 HB THR 44 4.891 14.827 5.967 333 HG1 THR 44 1HG THR 44 5.696 14.287 7.847 334 1HG2 THR 44 1HG2 THR 44 2.552 13.065 6.756 335 2HG2 THR 44 2HG2 THR 44 2.652 14.001 5.263 336 3HG2 THR 44 3HG2 THR 44 2.607 14.825 6.820 337 HA PRO 45 HA PRO 45 9.090 11.997 4.506 338 1HB PRO 45 2HB PRO 45 8.269 11.910 1.628 339 2HB PRO 45 1HB PRO 45 9.448 10.915 2.496 340 1HG PRO 45 2HG PRO 45 6.993 10.008 1.859 341 2HG PRO 45 1HG PRO 45 7.853 9.492 3.316 342 1HD PRO 45 2HD PRO 45 5.484 11.262 3.089 343 2HD PRO 45 1HD PRO 45 6.044 10.305 4.473 344 HA PRO 46 HA PRO 46 9.201 16.022 2.076 345 1HB PRO 46 2HB PRO 46 7.062 16.946 0.706 346 2HB PRO 46 1HB PRO 46 8.019 15.575 0.120 347 1HG PRO 46 2HG PRO 46 5.297 15.599 1.239 348 2HG PRO 46 1HG PRO 46 6.090 14.371 0.239 349 1HD PRO 46 2HD PRO 46 5.799 14.438 3.150 350 2HD PRO 46 1HD PRO 46 6.400 13.117 2.135 351 H LYS 47 H LYS 47 5.935 17.135 2.191 352 HA LYS 47 HA LYS 47 5.874 18.171 4.876 353 1HB LYS 47 2HB LYS 47 5.949 20.669 3.540 354 2HB LYS 47 1HB LYS 47 7.173 20.043 4.631 355 1HG LYS 47 2HG LYS 47 8.555 19.308 2.888 356 2HG LYS 47 1HG LYS 47 7.234 19.245 1.723 357 1HD LYS 47 2HD LYS 47 7.341 21.513 1.269 358 2HD LYS 47 1HD LYS 47 7.875 21.929 2.896 359 1HE LYS 47 2HE LYS 47 10.121 21.170 2.420 360 2HE LYS 47 1HE LYS 47 9.620 20.510 0.863 361 1HZ LYS 47 1HZ LYS 47 9.419 22.579 -0.058 362 2HZ LYS 47 2HZ LYS 47 10.707 22.854 1.015 363 3HZ LYS 47 3HZ LYS 47 9.136 23.350 1.427 364 H LEU 48 H LEU 48 3.685 18.132 5.192 365 HA LEU 48 HA LEU 48 1.881 18.379 2.902 366 1HB LEU 48 2HB LEU 48 1.744 16.975 5.243 367 2HB LEU 48 1HB LEU 48 0.774 18.374 5.682 368 HG LEU 48 HG LEU 48 0.340 16.732 3.178 369 1HD1 LEU 48 1HD1 LEU 48 -0.136 15.279 5.015 370 2HD1 LEU 48 2HD1 LEU 48 -1.696 15.913 4.491 371 3HD1 LEU 48 3HD1 LEU 48 -0.913 16.575 5.925 372 1HD2 LEU 48 1HD2 LEU 48 -1.138 19.000 4.516 373 2HD2 LEU 48 2HD2 LEU 48 -1.978 17.883 3.441 374 3HD2 LEU 48 3HD2 LEU 48 -0.640 18.850 2.831 375 H GLU 49 H GLU 49 3.527 20.568 4.665 376 HA GLU 49 HA GLU 49 1.334 22.603 4.736 377 1HB GLU 49 2HB GLU 49 4.192 22.698 5.776 378 2HB GLU 49 1HB GLU 49 3.023 24.010 5.916 379 1HG GLU 49 2HG GLU 49 1.500 22.342 7.112 380 2HG GLU 49 1HG GLU 49 2.904 21.278 7.205 381 H ASP 50 H ASP 50 2.521 21.444 2.296 382 HA ASP 50 HA ASP 50 3.371 23.996 1.034 383 1HB ASP 50 2HB ASP 50 5.346 22.504 1.878 384 2HB ASP 50 1HB ASP 50 4.954 21.491 0.491 385 H LYS 51 H LYS 51 2.901 20.507 0.337 386 HA LYS 51 HA LYS 51 2.158 20.989 -2.387 387 1HB LYS 51 2HB LYS 51 1.579 18.679 -2.469 388 2HB LYS 51 1HB LYS 51 2.944 18.802 -1.376 389 1HG LYS 51 2HG LYS 51 1.495 18.642 0.561 390 2HG LYS 51 1HG LYS 51 0.054 18.710 -0.450 391 1HD LYS 51 2HD LYS 51 0.596 16.390 0.253 392 2HD LYS 51 1HD LYS 51 0.625 16.589 -1.498 393 1HE LYS 51 2HE LYS 51 2.963 16.470 -1.603 394 2HE LYS 51 1HE LYS 51 3.167 16.930 0.088 395 1HZ LYS 51 1HZ LYS 51 2.493 14.831 0.811 396 2HZ LYS 51 2HZ LYS 51 3.518 14.509 -0.505 397 3HZ LYS 51 3HZ LYS 51 1.833 14.411 -0.693 398 H SER 52 H SER 52 -0.341 19.590 -2.632 399 HA SER 52 HA SER 52 -2.121 21.789 -2.100 400 1HB SER 52 2HB SER 52 -2.523 20.459 -4.060 401 2HB SER 52 1HB SER 52 -2.605 18.981 -3.104 402 HG SER 52 HG SER 52 -4.687 19.628 -3.472 403 HA PRO 53 HA PRO 53 -3.103 20.098 2.012 404 1HB PRO 53 2HB PRO 53 -4.404 22.198 3.045 405 2HB PRO 53 1HB PRO 53 -2.664 22.305 2.689 406 1HG PRO 53 2HG PRO 53 -4.980 23.273 1.050 407 2HG PRO 53 1HG PRO 53 -3.486 24.130 1.489 408 1HD PRO 53 2HD PRO 53 -3.830 22.858 -0.929 409 2HD PRO 53 1HD PRO 53 -2.239 23.071 -0.160 410 H ASP 54 H ASP 54 -5.405 21.303 -0.324 411 HA ASP 54 HA ASP 54 -7.604 20.693 -0.778 412 1HB ASP 54 2HB ASP 54 -6.481 18.378 -0.314 413 2HB ASP 54 1HB ASP 54 -7.354 18.431 1.212 414 H SER 55 H SER 55 -9.178 19.308 1.619 415 HA SER 55 HA SER 55 -9.207 21.448 3.596 416 1HB SER 55 2HB SER 55 -10.581 22.793 2.362 417 2HB SER 55 1HB SER 55 -11.039 21.483 1.281 418 HG SER 55 HG SER 55 -12.184 22.339 3.673 419 HA PRO 56 HA PRO 56 -12.735 17.989 4.349 420 1HB PRO 56 2HB PRO 56 -11.005 15.890 3.086 421 2HB PRO 56 1HB PRO 56 -12.773 15.908 3.285 422 1HG PRO 56 2HG PRO 56 -11.820 16.554 0.957 423 2HG PRO 56 1HG PRO 56 -13.022 17.637 1.684 424 1HD PRO 56 2HD PRO 56 -10.033 17.956 1.595 425 2HD PRO 56 1HD PRO 56 -11.287 19.173 1.246 426 H GLU 57 H GLU 57 -11.341 18.910 6.272 427 HA GLU 57 HA GLU 57 -9.945 18.520 8.152 428 1HB GLU 57 2HB GLU 57 -11.402 15.862 7.948 429 2HB GLU 57 1HB GLU 57 -10.675 16.543 9.404 430 1HG GLU 57 2HG GLU 57 -12.215 18.442 9.325 431 2HG GLU 57 1HG GLU 57 -12.910 17.844 7.819 432 H MET 58 H MET 58 -8.731 17.848 5.582 433 HA MET 58 HA MET 58 -6.804 16.849 4.781 434 1HB MET 58 2HB MET 58 -6.326 15.785 7.570 435 2HB MET 58 1HB MET 58 -5.162 16.124 6.305 436 1HG MET 58 2HG MET 58 -4.856 18.059 7.489 437 2HG MET 58 1HG MET 58 -6.242 18.598 6.544 438 1HE MET 58 1HE MET 58 -5.859 18.008 10.995 439 2HE MET 58 2HE MET 58 -4.749 18.690 9.809 440 3HE MET 58 3HE MET 58 -5.023 16.950 9.849 441 H LYS 59 H LYS 59 -9.364 15.200 6.167 442 HA LYS 59 HA LYS 59 -8.746 12.485 6.149 443 1HB LYS 59 2HB LYS 59 -11.001 13.604 6.600 444 2HB LYS 59 1HB LYS 59 -11.215 13.682 4.845 445 1HG LYS 59 2HG LYS 59 -10.418 10.972 5.570 446 2HG LYS 59 1HG LYS 59 -11.763 11.451 6.600 447 1HD LYS 59 2HD LYS 59 -13.167 11.897 4.716 448 2HD LYS 59 1HD LYS 59 -11.810 11.803 3.591 449 1HE LYS 59 2HE LYS 59 -13.134 9.731 3.516 450 2HE LYS 59 1HE LYS 59 -11.520 9.413 4.150 451 1HZ LYS 59 1HZ LYS 59 -12.334 8.843 6.132 452 2HZ LYS 59 2HZ LYS 59 -13.835 8.703 5.347 453 3HZ LYS 59 3HZ LYS 59 -13.434 10.134 6.170 454 H ASP 60 H ASP 60 -9.603 14.568 3.428 455 HA ASP 60 HA ASP 60 -9.587 12.671 1.374 456 1HB ASP 60 2HB ASP 60 -10.352 14.799 0.822 457 2HB ASP 60 1HB ASP 60 -8.954 15.611 1.516 458 H PHE 61 H PHE 61 -6.863 14.080 3.111 459 HA PHE 61 HA PHE 61 -4.874 13.113 1.198 460 1HB PHE 61 2HB PHE 61 -4.559 15.000 2.934 461 2HB PHE 61 1HB PHE 61 -4.398 13.715 4.129 462 HD1 PHE 61 1HD PHE 61 -2.218 13.019 4.611 463 HD2 PHE 61 2HD PHE 61 -3.101 14.525 0.681 464 HE1 PHE 61 1HE PHE 61 0.162 12.746 3.968 465 HE2 PHE 61 2HE PHE 61 -0.723 14.245 0.043 466 HZ PHE 61 HZ PHE 61 0.913 13.356 1.684 467 H ARG 62 H ARG 62 -5.928 12.138 4.450 468 HA ARG 62 HA ARG 62 -4.551 9.642 4.527 469 1HB ARG 62 2HB ARG 62 -7.146 10.483 5.859 470 2HB ARG 62 1HB ARG 62 -6.178 9.096 6.333 471 1HG ARG 62 2HG ARG 62 -4.844 10.415 7.624 472 2HG ARG 62 1HG ARG 62 -4.431 11.408 6.230 473 1HD ARG 62 2HD ARG 62 -6.475 12.746 6.576 474 2HD ARG 62 1HD ARG 62 -6.886 11.738 7.962 475 HE ARG 62 HE ARG 62 -4.241 13.024 8.100 476 1HH1 ARG 62 1HH2 ARG 62 -7.609 13.104 8.859 477 2HH1 ARG 62 2HH2 ARG 62 -7.417 14.206 10.181 478 1HH2 ARG 62 1HH1 ARG 62 -3.982 14.465 9.818 479 2HH2 ARG 62 2HH1 ARG 62 -5.369 14.979 10.719 480 H HIS 63 H HIS 63 -7.549 10.671 3.043 481 HA HIS 63 HA HIS 63 -8.701 8.074 2.534 482 1HB HIS 63 2HB HIS 63 -9.671 10.522 2.214 483 2HB HIS 63 1HB HIS 63 -8.995 10.373 0.595 484 HD1 HIS 63 1HD HIS 63 -10.376 7.397 2.406 485 HD2 HIS 63 2HD HIS 63 -11.575 10.026 -0.594 486 HE1 HIS 63 1HE HIS 63 -12.444 6.402 1.384 487 H GLY 64 H GLY 64 -6.263 10.029 0.831 488 1HA GLY 64 2HA GLY 64 -6.131 8.314 -1.474 489 2HA GLY 64 1HA GLY 64 -4.828 9.367 -0.923 490 H PHE 65 H PHE 65 -4.879 8.132 1.784 491 HA PHE 65 HA PHE 65 -3.110 5.853 1.181 492 1HB PHE 65 2HB PHE 65 -3.921 7.339 3.682 493 2HB PHE 65 1HB PHE 65 -3.152 5.760 3.821 494 HD1 PHE 65 1HD PHE 65 -2.654 9.286 3.123 495 HD2 PHE 65 2HD PHE 65 -0.886 5.387 2.768 496 HE1 PHE 65 1HE PHE 65 -0.433 10.322 2.744 497 HE2 PHE 65 2HE PHE 65 1.333 6.429 2.388 498 HZ PHE 65 HZ PHE 65 1.556 8.900 2.369 499 H ASP 66 H ASP 66 -6.279 6.450 2.663 500 HA ASP 66 HA ASP 66 -6.781 3.656 3.258 501 1HB ASP 66 2HB ASP 66 -7.917 5.687 4.346 502 2HB ASP 66 1HB ASP 66 -8.890 5.785 2.877 503 H ILE 67 H ILE 67 -7.806 5.900 0.693 504 HA ILE 67 HA ILE 67 -9.410 4.097 -0.775 505 HB ILE 67 HB ILE 67 -7.697 6.440 -1.655 506 1HG1 ILE 67 2HG1 ILE 67 -9.682 6.933 -0.242 507 2HG1 ILE 67 1HG1 ILE 67 -9.874 7.573 -1.872 508 1HG2 ILE 67 1HG2 ILE 67 -9.135 6.299 -3.783 509 2HG2 ILE 67 2HG2 ILE 67 -9.452 4.629 -3.308 510 3HG2 ILE 67 3HG2 ILE 67 -7.801 5.156 -3.631 511 1HD1 ILE 67 1HD1 ILE 67 -11.345 5.370 -0.505 512 2HD1 ILE 67 2HD1 ILE 67 -11.048 5.156 -2.226 513 3HD1 ILE 67 3HD1 ILE 67 -11.931 6.566 -1.655 514 H LEU 68 H LEU 68 -5.909 4.777 -1.071 515 HA LEU 68 HA LEU 68 -5.402 2.896 -3.138 516 1HB LEU 68 2HB LEU 68 -3.697 4.516 -2.474 517 2HB LEU 68 1HB LEU 68 -3.618 3.831 -0.858 518 HG LEU 68 HG LEU 68 -1.750 3.161 -2.472 519 1HD1 LEU 68 1HD1 LEU 68 -1.415 1.230 -1.321 520 2HD1 LEU 68 2HD1 LEU 68 -3.003 0.577 -1.707 521 3HD1 LEU 68 3HD1 LEU 68 -2.823 1.741 -0.399 522 1HD2 LEU 68 1HD2 LEU 68 -3.804 1.288 -3.650 523 2HD2 LEU 68 2HD2 LEU 68 -2.176 1.632 -4.227 524 3HD2 LEU 68 3HD2 LEU 68 -3.440 2.850 -4.385 525 H VAL 69 H VAL 69 -5.397 2.539 0.396 526 HA VAL 69 HA VAL 69 -4.698 -0.194 0.493 527 HB VAL 69 HB VAL 69 -6.289 1.612 2.309 528 1HG1 VAL 69 1HG1 VAL 69 -7.199 -0.530 2.775 529 2HG1 VAL 69 2HG1 VAL 69 -5.988 -0.232 4.015 530 3HG1 VAL 69 3HG1 VAL 69 -5.619 -1.303 2.663 531 1HG2 VAL 69 1HG2 VAL 69 -3.634 0.258 2.776 532 2HG2 VAL 69 2HG2 VAL 69 -4.308 1.643 3.633 533 3HG2 VAL 69 3HG2 VAL 69 -3.752 1.818 1.967 534 H GLY 70 H GLY 70 -7.418 1.384 -0.756 535 1HA GLY 70 2HA GLY 70 -9.391 -0.671 -0.183 536 2HA GLY 70 1HA GLY 70 -9.581 0.648 -1.338 537 H GLN 71 H GLN 71 -7.310 0.133 -2.993 538 HA GLN 71 HA GLN 71 -8.383 -2.042 -4.581 539 1HB GLN 71 2HB GLN 71 -6.795 -1.477 -6.197 540 2HB GLN 71 1HB GLN 71 -6.944 0.044 -5.326 541 1HG GLN 71 2HG GLN 71 -4.627 -0.218 -5.451 542 2HG GLN 71 1HG GLN 71 -4.973 -0.892 -3.868 543 1HE2 GLN 71 1HE2 GLN 71 -6.284 -3.206 -5.705 544 2HE2 GLN 71 2HE2 GLN 71 -4.936 -4.195 -5.996 545 H ILE 72 H ILE 72 -5.983 -1.720 -2.108 546 HA ILE 72 HA ILE 72 -4.880 -4.406 -2.456 547 HB ILE 72 HB ILE 72 -4.729 -2.311 -0.279 548 1HG1 ILE 72 2HG1 ILE 72 -2.587 -3.571 -2.018 549 2HG1 ILE 72 1HG1 ILE 72 -3.404 -2.060 -2.411 550 1HG2 ILE 72 1HG2 ILE 72 -3.786 -5.178 -0.254 551 2HG2 ILE 72 2HG2 ILE 72 -4.625 -4.284 1.012 552 3HG2 ILE 72 3HG2 ILE 72 -2.928 -3.948 0.675 553 1HD1 ILE 72 1HD1 ILE 72 -2.625 -1.416 0.077 554 2HD1 ILE 72 2HD1 ILE 72 -1.553 -1.213 -1.305 555 3HD1 ILE 72 3HD1 ILE 72 -1.391 -2.629 -0.270 556 H ASP 73 H ASP 73 -7.455 -2.804 -0.669 557 HA ASP 73 HA ASP 73 -8.082 -4.864 1.187 558 1HB ASP 73 2HB ASP 73 -9.048 -2.561 1.226 559 2HB ASP 73 1HB ASP 73 -10.037 -2.984 -0.170 560 H ASP 74 H ASP 74 -9.547 -4.217 -2.016 561 HA ASP 74 HA ASP 74 -11.132 -6.603 -2.064 562 1HB ASP 74 2HB ASP 74 -11.586 -4.716 -3.566 563 2HB ASP 74 1HB ASP 74 -10.024 -4.942 -4.354 564 H ALA 75 H ALA 75 -7.762 -5.972 -2.864 565 HA ALA 75 HA ALA 75 -7.409 -8.469 -4.292 566 1HB ALA 75 1HB ALA 75 -5.834 -6.596 -4.626 567 2HB ALA 75 2HB ALA 75 -4.976 -8.010 -4.014 568 3HB ALA 75 3HB ALA 75 -5.366 -6.675 -2.929 569 H LEU 76 H LEU 76 -7.197 -7.424 -0.921 570 HA LEU 76 HA LEU 76 -5.894 -9.677 0.154 571 1HB LEU 76 2HB LEU 76 -7.099 -7.385 1.133 572 2HB LEU 76 1HB LEU 76 -8.227 -8.601 1.679 573 HG LEU 76 HG LEU 76 -5.459 -9.445 2.242 574 1HD1 LEU 76 1HD1 LEU 76 -5.247 -6.887 2.335 575 2HD1 LEU 76 2HD1 LEU 76 -4.758 -7.786 3.770 576 3HD1 LEU 76 3HD1 LEU 76 -6.321 -6.974 3.730 577 1HD2 LEU 76 1HD2 LEU 76 -7.641 -10.265 3.273 578 2HD2 LEU 76 2HD2 LEU 76 -7.672 -8.755 4.184 579 3HD2 LEU 76 3HD2 LEU 76 -6.346 -9.896 4.414 580 H LYS 77 H LYS 77 -9.145 -9.126 -0.998 581 HA LYS 77 HA LYS 77 -10.354 -11.529 -0.049 582 1HB LYS 77 2HB LYS 77 -11.479 -9.430 -1.022 583 2HB LYS 77 1HB LYS 77 -11.031 -10.064 -2.610 584 1HG LYS 77 2HG LYS 77 -13.164 -10.977 -2.340 585 2HG LYS 77 1HG LYS 77 -12.128 -12.274 -1.746 586 1HD LYS 77 2HD LYS 77 -12.469 -10.863 0.574 587 2HD LYS 77 1HD LYS 77 -13.986 -10.484 -0.237 588 1HE LYS 77 2HE LYS 77 -14.273 -12.988 -0.618 589 2HE LYS 77 1HE LYS 77 -12.895 -13.225 0.462 590 1HZ LYS 77 1HZ LYS 77 -14.488 -13.237 2.027 591 2HZ LYS 77 2HZ LYS 77 -15.608 -12.396 1.065 592 3HZ LYS 77 3HZ LYS 77 -14.392 -11.548 1.895 593 H LEU 78 H LEU 78 -8.780 -10.639 -3.112 594 HA LEU 78 HA LEU 78 -9.171 -13.111 -4.437 595 1HB LEU 78 2HB LEU 78 -7.329 -10.777 -4.702 596 2HB LEU 78 1HB LEU 78 -6.778 -12.269 -5.479 597 HG LEU 78 HG LEU 78 -8.913 -12.433 -6.700 598 1HD1 LEU 78 1HD1 LEU 78 -9.553 -9.961 -5.078 599 2HD1 LEU 78 2HD1 LEU 78 -10.519 -11.422 -5.286 600 3HD1 LEU 78 3HD1 LEU 78 -10.363 -10.274 -6.612 601 1HD2 LEU 78 1HD2 LEU 78 -6.870 -10.948 -7.435 602 2HD2 LEU 78 2HD2 LEU 78 -7.943 -9.596 -7.091 603 3HD2 LEU 78 3HD2 LEU 78 -8.394 -10.788 -8.309 604 H ALA 79 H ALA 79 -6.876 -12.088 -2.010 605 HA ALA 79 HA ALA 79 -5.092 -14.335 -2.189 606 1HB ALA 79 1HB ALA 79 -4.779 -12.125 -0.884 607 2HB ALA 79 2HB ALA 79 -4.251 -13.602 -0.079 608 3HB ALA 79 3HB ALA 79 -5.782 -12.857 0.365 609 H ASN 80 H ASN 80 -7.891 -13.656 -0.064 610 HA ASN 80 HA ASN 80 -7.871 -16.304 1.089 611 1HB ASN 80 2HB ASN 80 -8.915 -13.975 1.928 612 2HB ASN 80 1HB ASN 80 -10.364 -14.649 1.187 613 1HD2 ASN 80 1HD2 ASN 80 -7.657 -15.886 3.220 614 2HD2 ASN 80 2HD2 ASN 80 -8.637 -16.791 4.232 615 H GLU 81 H GLU 81 -9.012 -15.170 -1.928 616 HA GLU 81 HA GLU 81 -11.130 -17.252 -2.093 617 1HB GLU 81 2HB GLU 81 -10.234 -15.074 -3.978 618 2HB GLU 81 1HB GLU 81 -11.404 -16.301 -4.439 619 1HG GLU 81 2HG GLU 81 -11.718 -14.566 -1.980 620 2HG GLU 81 1HG GLU 81 -12.409 -14.148 -3.548 621 H GLY 82 H GLY 82 -7.805 -16.939 -2.697 622 1HA GLY 82 2HA GLY 82 -6.448 -18.830 -3.338 623 2HA GLY 82 1HA GLY 82 -7.831 -19.516 -4.184 624 H LYS 83 H LYS 83 -7.442 -16.183 -4.835 625 HA LYS 83 HA LYS 83 -6.398 -16.858 -7.546 626 1HB LYS 83 2HB LYS 83 -7.288 -14.106 -6.730 627 2HB LYS 83 1HB LYS 83 -7.307 -14.853 -8.318 628 1HG LYS 83 2HG LYS 83 -9.120 -15.482 -5.995 629 2HG LYS 83 1HG LYS 83 -9.567 -14.753 -7.525 630 1HD LYS 83 2HD LYS 83 -8.787 -16.854 -8.679 631 2HD LYS 83 1HD LYS 83 -8.591 -17.588 -7.091 632 1HE LYS 83 2HE LYS 83 -10.907 -17.503 -6.630 633 2HE LYS 83 1HE LYS 83 -11.209 -16.335 -7.917 634 1HZ LYS 83 1HZ LYS 83 -11.630 -18.936 -8.194 635 2HZ LYS 83 2HZ LYS 83 -10.018 -18.863 -8.723 636 3HZ LYS 83 3HZ LYS 83 -11.210 -17.927 -9.491 637 H VAL 84 H VAL 84 -4.270 -17.230 -6.773 638 HA VAL 84 HA VAL 84 -2.705 -15.134 -5.508 639 HB VAL 84 HB VAL 84 -1.750 -17.670 -6.883 640 1HG1 VAL 84 1HG1 VAL 84 0.152 -17.300 -5.180 641 2HG1 VAL 84 2HG1 VAL 84 -0.466 -15.655 -5.035 642 3HG1 VAL 84 3HG1 VAL 84 0.119 -16.244 -6.592 643 1HG2 VAL 84 1HG2 VAL 84 -3.183 -18.436 -5.185 644 2HG2 VAL 84 2HG2 VAL 84 -2.775 -17.104 -4.108 645 3HG2 VAL 84 3HG2 VAL 84 -1.612 -18.401 -4.386 646 H LYS 85 H LYS 85 -2.701 -16.604 -8.780 647 HA LYS 85 HA LYS 85 -0.758 -14.894 -9.907 648 1HB LYS 85 2HB LYS 85 -3.173 -16.283 -11.077 649 2HB LYS 85 1HB LYS 85 -2.138 -15.265 -12.079 650 1HG LYS 85 2HG LYS 85 -0.260 -16.647 -11.785 651 2HG LYS 85 1HG LYS 85 -0.923 -17.420 -10.348 652 1HD LYS 85 2HD LYS 85 -2.454 -17.752 -12.911 653 2HD LYS 85 1HD LYS 85 -0.937 -18.633 -12.761 654 1HE LYS 85 2HE LYS 85 -3.058 -19.845 -11.962 655 2HE LYS 85 1HE LYS 85 -1.688 -19.830 -10.852 656 1HZ LYS 85 1HZ LYS 85 -2.738 -17.769 -9.877 657 2HZ LYS 85 2HZ LYS 85 -3.539 -19.238 -9.576 658 3HZ LYS 85 3HZ LYS 85 -4.134 -18.168 -10.756 659 H GLU 86 H GLU 86 -4.233 -14.391 -9.404 660 HA GLU 86 HA GLU 86 -4.290 -11.814 -10.718 661 1HB GLU 86 2HB GLU 86 -6.152 -12.898 -8.571 662 2HB GLU 86 1HB GLU 86 -6.460 -11.513 -9.624 663 1HG GLU 86 2HG GLU 86 -5.876 -14.248 -10.772 664 2HG GLU 86 1HG GLU 86 -7.511 -13.744 -10.358 665 H ALA 87 H ALA 87 -3.867 -12.947 -7.379 666 HA ALA 87 HA ALA 87 -3.763 -10.316 -6.226 667 1HB ALA 87 1HB ALA 87 -2.956 -11.387 -4.246 668 2HB ALA 87 2HB ALA 87 -2.317 -12.750 -5.165 669 3HB ALA 87 3HB ALA 87 -4.059 -12.541 -4.997 670 H GLN 88 H GLN 88 -1.180 -12.577 -7.175 671 HA GLN 88 HA GLN 88 1.000 -10.840 -6.644 672 1HB GLN 88 2HB GLN 88 2.079 -12.765 -7.181 673 2HB GLN 88 1HB GLN 88 0.560 -13.468 -7.635 674 1HG GLN 88 2HG GLN 88 0.844 -12.775 -9.935 675 2HG GLN 88 1HG GLN 88 2.276 -11.852 -9.507 676 1HE2 GLN 88 1HE2 GLN 88 1.206 -15.211 -8.742 677 2HE2 GLN 88 2HE2 GLN 88 2.650 -15.931 -9.235 678 H ALA 89 H ALA 89 -0.865 -11.399 -9.631 679 HA ALA 89 HA ALA 89 0.547 -9.617 -11.313 680 1HB ALA 89 1HB ALA 89 -1.178 -11.010 -12.270 681 2HB ALA 89 2HB ALA 89 -1.691 -9.336 -12.488 682 3HB ALA 89 3HB ALA 89 -2.401 -10.316 -11.206 683 H ALA 90 H ALA 90 -1.880 -9.021 -8.811 684 HA ALA 90 HA ALA 90 -2.248 -6.217 -9.391 685 1HB ALA 90 1HB ALA 90 -3.370 -6.108 -7.306 686 2HB ALA 90 2HB ALA 90 -2.407 -7.415 -6.614 687 3HB ALA 90 3HB ALA 90 -3.640 -7.770 -7.825 688 H ALA 91 H ALA 91 0.141 -8.120 -7.718 689 HA ALA 91 HA ALA 91 1.475 -6.217 -6.145 690 1HB ALA 91 1HB ALA 91 2.043 -8.729 -6.545 691 2HB ALA 91 2HB ALA 91 3.379 -7.618 -6.256 692 3HB ALA 91 3HB ALA 91 3.013 -8.143 -7.896 693 H GLU 92 H GLU 92 1.919 -6.914 -9.614 694 HA GLU 92 HA GLU 92 3.765 -4.761 -10.014 695 1HB GLU 92 2HB GLU 92 1.988 -6.195 -12.000 696 2HB GLU 92 1HB GLU 92 3.303 -5.099 -12.426 697 1HG GLU 92 2HG GLU 92 4.490 -7.089 -12.498 698 2HG GLU 92 1HG GLU 92 4.693 -6.725 -10.783 699 H GLN 93 H GLN 93 0.313 -4.885 -9.723 700 HA GLN 93 HA GLN 93 -0.160 -2.361 -11.078 701 1HB GLN 93 2HB GLN 93 -1.932 -4.152 -10.481 702 2HB GLN 93 1HB GLN 93 -1.835 -3.551 -8.833 703 1HG GLN 93 2HG GLN 93 -2.238 -1.432 -10.894 704 2HG GLN 93 1HG GLN 93 -3.568 -2.572 -10.731 705 1HE2 GLN 93 1HE2 GLN 93 -1.384 -1.291 -8.146 706 2HE2 GLN 93 2HE2 GLN 93 -2.635 -0.600 -7.233 707 H LEU 94 H LEU 94 0.671 -3.506 -7.866 708 HA LEU 94 HA LEU 94 0.459 -0.927 -6.599 709 1HB LEU 94 2HB LEU 94 1.752 -3.536 -5.836 710 2HB LEU 94 1HB LEU 94 2.041 -2.088 -4.880 711 HG LEU 94 HG LEU 94 -0.562 -1.849 -4.832 712 1HD1 LEU 94 1HD1 LEU 94 -1.693 -4.110 -4.959 713 2HD1 LEU 94 2HD1 LEU 94 -0.233 -4.723 -5.715 714 3HD1 LEU 94 3HD1 LEU 94 -1.166 -3.457 -6.511 715 1HD2 LEU 94 1HD2 LEU 94 1.180 -2.915 -3.016 716 2HD2 LEU 94 2HD2 LEU 94 0.108 -4.289 -3.263 717 3HD2 LEU 94 3HD2 LEU 94 -0.543 -2.743 -2.739 718 H LYS 95 H LYS 95 3.134 -2.744 -8.138 719 HA LYS 95 HA LYS 95 5.326 -1.131 -7.500 720 1HB LYS 95 2HB LYS 95 4.496 -2.455 -10.096 721 2HB LYS 95 1HB LYS 95 5.939 -1.458 -10.042 722 1HG LYS 95 2HG LYS 95 5.876 -4.181 -9.556 723 2HG LYS 95 1HG LYS 95 7.176 -3.109 -9.128 724 1HD LYS 95 2HD LYS 95 4.953 -3.370 -7.126 725 2HD LYS 95 1HD LYS 95 5.998 -4.755 -7.355 726 1HE LYS 95 2HE LYS 95 7.878 -3.678 -6.546 727 2HE LYS 95 1HE LYS 95 7.331 -2.081 -7.055 728 1HZ LYS 95 1HZ LYS 95 5.608 -2.239 -5.299 729 2HZ LYS 95 2HZ LYS 95 7.196 -2.225 -4.693 730 3HZ LYS 95 3HZ LYS 95 6.326 -3.682 -4.773 731 H THR 96 H THR 96 2.716 -0.532 -9.798 732 HA THR 96 HA THR 96 3.725 2.049 -10.678 733 HB THR 96 HB THR 96 0.961 0.808 -10.867 734 HG1 THR 96 1HG THR 96 3.192 0.281 -12.100 735 1HG2 THR 96 1HG2 THR 96 0.605 3.139 -11.074 736 2HG2 THR 96 2HG2 THR 96 0.760 2.574 -12.737 737 3HG2 THR 96 3HG2 THR 96 2.117 3.378 -11.950 738 H THR 97 H THR 97 1.591 0.979 -8.044 739 HA THR 97 HA THR 97 0.425 3.498 -7.435 740 HB THR 97 HB THR 97 1.091 1.081 -5.785 741 HG1 THR 97 1HG THR 97 -1.310 2.522 -5.880 742 1HG2 THR 97 1HG2 THR 97 0.435 3.804 -4.696 743 2HG2 THR 97 2HG2 THR 97 1.703 2.689 -4.182 744 3HG2 THR 97 3HG2 THR 97 0.013 2.331 -3.820 745 H ILE 98 H ILE 98 3.502 2.030 -6.504 746 HA ILE 98 HA ILE 98 4.517 4.036 -4.813 747 HB ILE 98 HB ILE 98 6.066 2.451 -6.858 748 1HG1 ILE 98 2HG1 ILE 98 5.248 1.724 -4.028 749 2HG1 ILE 98 1HG1 ILE 98 4.603 0.999 -5.501 750 1HG2 ILE 98 1HG2 ILE 98 7.933 2.712 -5.316 751 2HG2 ILE 98 2HG2 ILE 98 6.896 3.532 -4.149 752 3HG2 ILE 98 3HG2 ILE 98 7.283 4.308 -5.684 753 1HD1 ILE 98 1HD1 ILE 98 6.328 -0.462 -4.622 754 2HD1 ILE 98 2HD1 ILE 98 7.471 0.876 -4.530 755 3HD1 ILE 98 3HD1 ILE 98 6.932 0.284 -6.101 756 H ARG 99 H ARG 99 4.731 3.738 -8.377 757 HA ARG 99 HA ARG 99 6.217 6.121 -8.766 758 1HB ARG 99 2HB ARG 99 5.901 4.387 -10.509 759 2HB ARG 99 1HB ARG 99 4.211 4.871 -10.657 760 1HG ARG 99 2HG ARG 99 4.743 6.966 -11.566 761 2HG ARG 99 1HG ARG 99 6.391 6.939 -10.937 762 1HD ARG 99 2HD ARG 99 6.881 5.034 -12.512 763 2HD ARG 99 1HD ARG 99 5.281 5.274 -13.216 764 HE ARG 99 HE ARG 99 6.456 7.783 -13.297 765 1HH1 ARG 99 1HH2 ARG 99 7.239 4.600 -14.340 766 2HH1 ARG 99 2HH2 ARG 99 8.140 5.125 -15.722 767 1HH2 ARG 99 1HH1 ARG 99 7.646 8.498 -15.090 768 2HH2 ARG 99 2HH1 ARG 99 8.374 7.333 -16.144 769 H ALA 100 H ALA 100 2.672 5.623 -9.120 770 HA ALA 100 HA ALA 100 2.075 8.388 -9.525 771 1HB ALA 100 1HB ALA 100 0.533 6.355 -9.861 772 2HB ALA 100 2HB ALA 100 -0.205 7.794 -9.157 773 3HB ALA 100 3HB ALA 100 0.238 6.433 -8.125 774 H TYR 101 H TYR 101 2.720 6.506 -6.664 775 HA TYR 101 HA TYR 101 1.697 8.420 -4.759 776 1HB TYR 101 2HB TYR 101 1.990 6.194 -3.969 777 2HB TYR 101 1HB TYR 101 3.611 6.106 -4.623 778 HD1 TYR 101 1HD TYR 101 5.440 7.495 -3.627 779 HD2 TYR 101 2HD TYR 101 1.613 7.006 -1.747 780 HE1 TYR 101 1HE TYR 101 6.406 8.221 -1.478 781 HE2 TYR 101 2HE TYR 101 2.584 7.742 0.415 782 HH TYR 101 HH TYR 101 5.852 7.869 1.010 783 H ASN 102 H ASN 102 4.700 7.948 -6.527 784 HA ASN 102 HA ASN 102 6.255 9.740 -4.947 785 1HB ASN 102 2HB ASN 102 7.729 8.613 -6.263 786 2HB ASN 102 1HB ASN 102 6.583 8.441 -7.588 787 1HD2 ASN 102 1HD2 ASN 102 7.546 11.579 -6.133 788 2HD2 ASN 102 2HD2 ASN 102 8.337 12.156 -7.521 789 H GLN 103 H GLN 103 3.935 10.267 -7.549 790 HA GLN 103 HA GLN 103 4.601 13.022 -8.002 791 1HB GLN 103 2HB GLN 103 3.137 12.029 -9.604 792 2HB GLN 103 1HB GLN 103 2.091 11.352 -8.360 793 1HG GLN 103 2HG GLN 103 2.433 14.323 -8.532 794 2HG GLN 103 1HG GLN 103 1.357 13.529 -9.676 795 1HE2 GLN 103 1HE2 GLN 103 1.413 11.762 -6.759 796 2HE2 GLN 103 2HE2 GLN 103 0.018 12.419 -6.051 797 H LYS 104 H LYS 104 3.001 11.173 -5.601 798 HA LYS 104 HA LYS 104 1.835 13.487 -4.201 799 1HB LYS 104 2HB LYS 104 0.466 11.859 -3.405 800 2HB LYS 104 1HB LYS 104 1.442 10.646 -4.207 801 1HG LYS 104 2HG LYS 104 2.919 10.507 -2.250 802 2HG LYS 104 1HG LYS 104 1.992 11.769 -1.454 803 1HD LYS 104 2HD LYS 104 0.843 9.126 -2.365 804 2HD LYS 104 1HD LYS 104 1.352 9.494 -0.724 805 1HE LYS 104 2HE LYS 104 -0.890 10.026 -0.521 806 2HE LYS 104 1HE LYS 104 -0.299 11.587 -1.086 807 1HZ LYS 104 1HZ LYS 104 -1.441 11.371 -2.955 808 2HZ LYS 104 2HZ LYS 104 -2.185 9.996 -2.293 809 3HZ LYS 104 3HZ LYS 104 -0.799 9.833 -3.263 810 H TYR 105 H TYR 105 4.715 11.432 -4.017 811 HA TYR 105 HA TYR 105 5.563 12.799 -1.532 812 1HB TYR 105 2HB TYR 105 6.312 10.719 -1.055 813 2HB TYR 105 1HB TYR 105 5.996 10.188 -2.691 814 HD1 TYR 105 1HD TYR 105 7.782 11.290 -4.456 815 HD2 TYR 105 2HD TYR 105 8.508 10.412 -0.324 816 HE1 TYR 105 1HE TYR 105 10.218 11.112 -4.927 817 HE2 TYR 105 2HE TYR 105 10.938 10.244 -0.781 818 HH TYR 105 HH TYR 105 12.386 9.705 -2.843 819 H GLY 106 H GLY 106 5.655 13.474 -4.709 820 1HA GLY 106 2HA GLY 106 7.932 15.310 -4.343 821 2HA GLY 106 1HA GLY 106 8.154 14.090 -5.597 Start of MODEL 3 1 1H ALA 1 1HT ALA 1 16.114 7.192 10.460 2 2H ALA 1 2HT ALA 1 15.465 5.648 10.743 3 3H ALA 1 3HT ALA 1 14.825 7.002 11.546 4 HA ALA 1 HA ALA 1 13.830 7.844 9.627 5 1HB ALA 1 1HB ALA 1 15.769 7.508 8.144 6 2HB ALA 1 2HB ALA 1 14.298 6.886 7.396 7 3HB ALA 1 3HB ALA 1 15.458 5.772 8.121 8 H ASP 2 H ASP 2 12.061 6.957 10.792 9 HA ASP 2 HA ASP 2 11.396 4.109 10.557 10 1HB ASP 2 2HB ASP 2 10.138 6.541 11.790 11 2HB ASP 2 1HB ASP 2 9.188 5.064 11.615 12 H LEU 3 H LEU 3 10.955 6.911 8.723 13 HA LEU 3 HA LEU 3 8.409 6.075 7.513 14 1HB LEU 3 2HB LEU 3 10.265 8.346 6.725 15 2HB LEU 3 1HB LEU 3 8.606 8.118 6.175 16 HG LEU 3 HG LEU 3 9.423 8.530 9.068 17 1HD1 LEU 3 1HD1 LEU 3 9.795 10.531 7.632 18 2HD1 LEU 3 2HD1 LEU 3 8.509 10.783 8.813 19 3HD1 LEU 3 3HD1 LEU 3 8.106 10.453 7.129 20 1HD2 LEU 3 1HD2 LEU 3 7.368 7.374 9.118 21 2HD2 LEU 3 2HD2 LEU 3 6.783 8.154 7.648 22 3HD2 LEU 3 3HD2 LEU 3 6.861 9.061 9.158 23 H GLU 4 H GLU 4 11.756 6.623 6.386 24 HA GLU 4 HA GLU 4 11.349 5.508 3.776 25 1HB GLU 4 2HB GLU 4 13.931 5.424 5.364 26 2HB GLU 4 1HB GLU 4 13.745 5.465 3.612 27 1HG GLU 4 2HG GLU 4 12.940 7.692 5.504 28 2HG GLU 4 1HG GLU 4 14.382 7.688 4.487 29 H ASP 5 H ASP 5 11.778 4.253 6.944 30 HA ASP 5 HA ASP 5 12.629 1.595 6.163 31 1HB ASP 5 2HB ASP 5 13.123 2.170 8.380 32 2HB ASP 5 1HB ASP 5 11.547 2.919 8.623 33 H ASN 6 H ASN 6 9.476 2.942 7.223 34 HA ASN 6 HA ASN 6 7.921 0.631 6.937 35 1HB ASN 6 2HB ASN 6 6.554 2.280 7.772 36 2HB ASN 6 1HB ASN 6 7.444 3.551 6.940 37 1HD2 ASN 6 1HD2 ASN 6 7.065 3.461 4.410 38 2HD2 ASN 6 2HD2 ASN 6 5.453 3.237 3.920 39 H TRP 7 H TRP 7 8.964 2.946 4.450 40 HA TRP 7 HA TRP 7 7.502 1.972 2.251 41 1HB TRP 7 2HB TRP 7 10.209 3.258 2.556 42 2HB TRP 7 1HB TRP 7 9.783 2.587 0.985 43 HD1 TRP 7 HD TRP 7 7.933 4.803 3.590 44 HE1 TRP 7 1HE TRP 7 6.762 6.707 2.307 45 HE3 TRP 7 3HE TRP 7 9.309 3.624 -1.182 46 HZ2 TRP 7 2HZ TRP 7 6.453 7.613 -0.392 47 HZ3 TRP 7 3HZ TRP 7 8.569 5.023 -3.088 48 HH2 TRP 7 HH TRP 7 7.143 7.014 -2.700 49 H GLU 8 H GLU 8 10.731 0.835 3.360 50 HA GLU 8 HA GLU 8 10.958 -1.236 1.478 51 1HB GLU 8 2HB GLU 8 12.712 -0.444 3.123 52 2HB GLU 8 1HB GLU 8 11.848 -1.360 4.359 53 1HG GLU 8 2HG GLU 8 12.161 -3.401 3.172 54 2HG GLU 8 1HG GLU 8 12.851 -2.569 1.783 55 H THR 9 H THR 9 9.012 -0.989 4.404 56 HA THR 9 HA THR 9 8.441 -3.809 4.602 57 HB THR 9 HB THR 9 6.647 -1.590 5.604 58 HG1 THR 9 1HG THR 9 9.160 -2.451 6.414 59 1HG2 THR 9 1HG2 THR 9 5.850 -3.965 5.683 60 2HG2 THR 9 2HG2 THR 9 6.024 -3.226 7.275 61 3HG2 THR 9 3HG2 THR 9 7.248 -4.351 6.687 62 H LEU 10 H LEU 10 6.198 -1.174 3.545 63 HA LEU 10 HA LEU 10 4.349 -2.988 2.386 64 1HB LEU 10 2HB LEU 10 3.534 -1.074 1.016 65 2HB LEU 10 1HB LEU 10 3.691 -0.685 2.724 66 HG LEU 10 HG LEU 10 6.165 0.050 1.847 67 1HD1 LEU 10 1HD1 LEU 10 4.304 0.813 -0.414 68 2HD1 LEU 10 2HD1 LEU 10 5.504 -0.471 -0.534 69 3HD1 LEU 10 3HD1 LEU 10 6.019 1.195 -0.278 70 1HD2 LEU 10 1HD2 LEU 10 3.613 1.670 1.887 71 2HD2 LEU 10 2HD2 LEU 10 5.208 2.399 1.704 72 3HD2 LEU 10 3HD2 LEU 10 4.806 1.516 3.178 73 H ASN 11 H ASN 11 7.384 -1.678 1.201 74 HA ASN 11 HA ASN 11 7.011 -2.601 -1.531 75 1HB ASN 11 2HB ASN 11 8.741 -0.861 -0.565 76 2HB ASN 11 1HB ASN 11 9.744 -2.282 -0.271 77 1HD2 ASN 11 1HD2 ASN 11 8.531 -3.642 -2.750 78 2HD2 ASN 11 2HD2 ASN 11 9.265 -2.869 -4.072 79 H ASP 12 H ASP 12 8.960 -3.819 1.205 80 HA ASP 12 HA ASP 12 9.745 -6.283 0.037 81 1HB ASP 12 2HB ASP 12 10.810 -5.495 2.061 82 2HB ASP 12 1HB ASP 12 9.279 -5.513 2.935 83 H ASN 13 H ASN 13 6.667 -5.232 1.054 84 HA ASN 13 HA ASN 13 5.541 -7.803 1.782 85 1HB ASN 13 2HB ASN 13 4.656 -5.034 1.463 86 2HB ASN 13 1HB ASN 13 3.490 -6.127 0.780 87 1HD2 ASN 13 1HD2 ASN 13 3.592 -4.375 3.345 88 2HD2 ASN 13 2HD2 ASN 13 3.061 -5.447 4.564 89 H LEU 14 H LEU 14 5.437 -5.724 -1.107 90 HA LEU 14 HA LEU 14 3.939 -7.403 -2.798 91 1HB LEU 14 2HB LEU 14 6.114 -5.388 -3.344 92 2HB LEU 14 1HB LEU 14 5.241 -6.188 -4.650 93 HG LEU 14 HG LEU 14 3.643 -4.909 -2.439 94 1HD1 LEU 14 1HD1 LEU 14 4.974 -3.411 -4.711 95 2HD1 LEU 14 2HD1 LEU 14 5.213 -3.146 -2.984 96 3HD1 LEU 14 3HD1 LEU 14 3.659 -2.768 -3.727 97 1HD2 LEU 14 1HD2 LEU 14 2.702 -6.281 -4.393 98 2HD2 LEU 14 2HD2 LEU 14 3.178 -4.935 -5.428 99 3HD2 LEU 14 3HD2 LEU 14 2.005 -4.687 -4.143 100 H LYS 15 H LYS 15 7.363 -7.588 -1.950 101 HA LYS 15 HA LYS 15 8.038 -9.363 -4.121 102 1HB LYS 15 2HB LYS 15 9.777 -8.152 -2.889 103 2HB LYS 15 1HB LYS 15 9.367 -9.026 -1.417 104 1HG LYS 15 2HG LYS 15 9.851 -10.926 -3.599 105 2HG LYS 15 1HG LYS 15 11.223 -9.836 -3.439 106 1HD LYS 15 2HD LYS 15 10.033 -11.196 -1.014 107 2HD LYS 15 1HD LYS 15 11.220 -12.009 -2.029 108 1HE LYS 15 2HE LYS 15 12.906 -10.444 -1.536 109 2HE LYS 15 1HE LYS 15 11.750 -9.234 -0.974 110 1HZ LYS 15 1HZ LYS 15 11.281 -10.551 0.943 111 2HZ LYS 15 2HZ LYS 15 12.966 -10.366 0.833 112 3HZ LYS 15 3HZ LYS 15 12.238 -11.830 0.375 113 H VAL 16 H VAL 16 7.299 -10.049 -0.659 114 HA VAL 16 HA VAL 16 7.480 -12.861 -0.925 115 HB VAL 16 HB VAL 16 5.849 -13.030 0.977 116 1HG1 VAL 16 1HG1 VAL 16 7.359 -11.717 2.563 117 2HG1 VAL 16 2HG1 VAL 16 8.245 -11.211 1.125 118 3HG1 VAL 16 3HG1 VAL 16 8.134 -12.924 1.535 119 1HG2 VAL 16 1HG2 VAL 16 4.886 -11.129 1.962 120 2HG2 VAL 16 2HG2 VAL 16 4.668 -10.849 0.238 121 3HG2 VAL 16 3HG2 VAL 16 5.954 -10.018 1.113 122 H ILE 17 H ILE 17 5.030 -10.727 -2.197 123 HA ILE 17 HA ILE 17 2.969 -12.762 -2.419 124 HB ILE 17 HB ILE 17 3.301 -10.410 -4.300 125 1HG1 ILE 17 2HG1 ILE 17 2.161 -10.474 -1.498 126 2HG1 ILE 17 1HG1 ILE 17 3.576 -9.590 -2.050 127 1HG2 ILE 17 1HG2 ILE 17 0.843 -11.757 -3.150 128 2HG2 ILE 17 2HG2 ILE 17 1.534 -12.160 -4.720 129 3HG2 ILE 17 3HG2 ILE 17 0.881 -10.549 -4.430 130 1HD1 ILE 17 1HD1 ILE 17 1.805 -7.988 -2.018 131 2HD1 ILE 17 2HD1 ILE 17 0.694 -9.109 -2.804 132 3HD1 ILE 17 3HD1 ILE 17 2.035 -8.417 -3.713 133 H GLU 18 H GLU 18 4.704 -11.241 -5.142 134 HA GLU 18 HA GLU 18 4.311 -13.248 -7.037 135 1HB GLU 18 2HB GLU 18 7.045 -12.019 -6.978 136 2HB GLU 18 1HB GLU 18 5.890 -12.130 -8.310 137 1HG GLU 18 2HG GLU 18 4.461 -10.469 -6.904 138 2HG GLU 18 1HG GLU 18 5.951 -10.161 -6.028 139 H LYS 19 H LYS 19 6.485 -13.217 -4.315 140 HA LYS 19 HA LYS 19 7.660 -15.831 -5.171 141 1HB LYS 19 2HB LYS 19 8.640 -13.531 -3.625 142 2HB LYS 19 1HB LYS 19 8.923 -15.046 -2.777 143 1HG LYS 19 2HG LYS 19 10.839 -14.612 -4.169 144 2HG LYS 19 1HG LYS 19 9.946 -15.947 -4.878 145 1HD LYS 19 2HD LYS 19 9.889 -14.788 -6.841 146 2HD LYS 19 1HD LYS 19 8.809 -13.635 -6.063 147 1HE LYS 19 2HE LYS 19 10.732 -12.465 -7.023 148 2HE LYS 19 1HE LYS 19 10.793 -12.361 -5.263 149 1HZ LYS 19 1HZ LYS 19 12.430 -14.005 -7.082 150 2HZ LYS 19 2HZ LYS 19 12.210 -14.483 -5.466 151 3HZ LYS 19 3HZ LYS 19 12.931 -12.986 -5.821 152 H ALA 20 H ALA 20 5.021 -14.802 -3.478 153 HA ALA 20 HA ALA 20 5.113 -16.254 -1.036 154 1HB ALA 20 1HB ALA 20 3.177 -14.913 -1.254 155 2HB ALA 20 2HB ALA 20 2.530 -16.530 -1.519 156 3HB ALA 20 3HB ALA 20 2.854 -15.482 -2.888 157 H ASP 21 H ASP 21 4.190 -17.202 -4.297 158 HA ASP 21 HA ASP 21 4.151 -19.279 -5.341 159 1HB ASP 21 2HB ASP 21 6.289 -19.410 -3.514 160 2HB ASP 21 1HB ASP 21 5.385 -20.884 -3.208 161 H ASN 22 H ASN 22 2.743 -18.759 -2.239 162 HA ASN 22 HA ASN 22 0.696 -20.775 -2.916 163 1HB ASN 22 2HB ASN 22 1.567 -20.848 -0.046 164 2HB ASN 22 1HB ASN 22 0.836 -22.112 -1.037 165 1HD2 ASN 22 1HD2 ASN 22 3.764 -20.086 -1.211 166 2HD2 ASN 22 2HD2 ASN 22 4.808 -21.363 -1.576 167 H ALA 23 H ALA 23 -1.322 -20.252 -2.148 168 HA ALA 23 HA ALA 23 -1.967 -17.563 -1.617 169 1HB ALA 23 1HB ALA 23 -4.188 -18.333 -1.151 170 2HB ALA 23 2HB ALA 23 -3.601 -19.942 -0.728 171 3HB ALA 23 3HB ALA 23 -3.522 -19.386 -2.400 172 H ALA 24 H ALA 24 -0.843 -19.976 0.628 173 HA ALA 24 HA ALA 24 -1.991 -18.844 3.005 174 1HB ALA 24 1HB ALA 24 0.481 -20.514 2.513 175 2HB ALA 24 2HB ALA 24 -1.060 -21.028 3.199 176 3HB ALA 24 3HB ALA 24 0.014 -19.984 4.129 177 H GLN 25 H GLN 25 1.255 -18.410 1.564 178 HA GLN 25 HA GLN 25 2.025 -16.357 3.416 179 1HB GLN 25 2HB GLN 25 3.218 -16.606 0.668 180 2HB GLN 25 1HB GLN 25 4.005 -16.245 2.194 181 1HG GLN 25 2HG GLN 25 3.279 -18.653 2.885 182 2HG GLN 25 1HG GLN 25 3.043 -18.907 1.153 183 1HE2 GLN 25 1HE2 GLN 25 5.053 -18.096 -0.209 184 2HE2 GLN 25 2HE2 GLN 25 6.575 -18.512 0.415 185 H VAL 26 H VAL 26 0.047 -16.317 0.585 186 HA VAL 26 HA VAL 26 0.529 -13.556 -0.160 187 HB VAL 26 HB VAL 26 -1.964 -15.218 -0.652 188 1HG1 VAL 26 1HG1 VAL 26 -2.024 -12.613 -0.940 189 2HG1 VAL 26 2HG1 VAL 26 -2.596 -13.612 -2.267 190 3HG1 VAL 26 3HG1 VAL 26 -0.991 -12.901 -2.332 191 1HG2 VAL 26 1HG2 VAL 26 -0.005 -16.292 -1.636 192 2HG2 VAL 26 2HG2 VAL 26 0.529 -14.772 -2.328 193 3HG2 VAL 26 3HG2 VAL 26 -0.939 -15.546 -2.920 194 H LYS 27 H LYS 27 -2.052 -15.142 1.820 195 HA LYS 27 HA LYS 27 -3.395 -12.738 2.509 196 1HB LYS 27 2HB LYS 27 -2.829 -15.128 4.284 197 2HB LYS 27 1HB LYS 27 -4.015 -13.884 4.630 198 1HG LYS 27 2HG LYS 27 -5.581 -14.934 3.354 199 2HG LYS 27 1HG LYS 27 -4.508 -14.980 1.970 200 1HD LYS 27 2HD LYS 27 -5.068 -17.268 2.572 201 2HD LYS 27 1HD LYS 27 -3.377 -16.977 2.959 202 1HE LYS 27 2HE LYS 27 -3.739 -17.020 5.240 203 2HE LYS 27 1HE LYS 27 -5.406 -16.461 5.105 204 1HZ LYS 27 1HZ LYS 27 -5.295 -18.792 5.726 205 2HZ LYS 27 2HZ LYS 27 -4.417 -19.149 4.316 206 3HZ LYS 27 3HZ LYS 27 -6.025 -18.609 4.206 207 H ASP 28 H ASP 28 -0.885 -14.531 4.192 208 HA ASP 28 HA ASP 28 -0.271 -12.774 6.262 209 1HB ASP 28 2HB ASP 28 1.761 -14.340 4.641 210 2HB ASP 28 1HB ASP 28 1.895 -13.870 6.337 211 H ALA 29 H ALA 29 0.794 -12.689 2.882 212 HA ALA 29 HA ALA 29 2.676 -10.547 3.245 213 1HB ALA 29 1HB ALA 29 2.821 -11.961 1.275 214 2HB ALA 29 2HB ALA 29 2.490 -10.305 0.769 215 3HB ALA 29 3HB ALA 29 1.193 -11.496 0.780 216 H LEU 30 H LEU 30 -0.406 -10.425 1.433 217 HA LEU 30 HA LEU 30 -0.604 -7.590 1.513 218 1HB LEU 30 2HB LEU 30 -2.811 -9.653 1.262 219 2HB LEU 30 1HB LEU 30 -2.987 -7.938 0.911 220 HG LEU 30 HG LEU 30 -1.015 -9.774 -0.477 221 1HD1 LEU 30 1HD1 LEU 30 -3.170 -10.474 -1.183 222 2HD1 LEU 30 2HD1 LEU 30 -2.633 -9.358 -2.435 223 3HD1 LEU 30 3HD1 LEU 30 -3.792 -8.824 -1.216 224 1HD2 LEU 30 1HD2 LEU 30 -1.707 -6.846 -0.702 225 2HD2 LEU 30 2HD2 LEU 30 -1.186 -7.718 -2.143 226 3HD2 LEU 30 3HD2 LEU 30 -0.125 -7.623 -0.744 227 H THR 31 H THR 31 -1.291 -9.967 3.932 228 HA THR 31 HA THR 31 -3.208 -8.528 5.501 229 HB THR 31 HB THR 31 -1.051 -10.534 6.218 230 HG1 THR 31 1HG THR 31 -2.581 -11.855 5.690 231 1HG2 THR 31 1HG2 THR 31 -1.306 -9.400 8.263 232 2HG2 THR 31 2HG2 THR 31 -2.468 -10.719 8.393 233 3HG2 THR 31 3HG2 THR 31 -3.022 -9.093 7.992 234 H LYS 32 H LYS 32 0.333 -8.610 5.546 235 HA LYS 32 HA LYS 32 0.568 -6.651 7.655 236 1HB LYS 32 2HB LYS 32 2.403 -8.033 5.730 237 2HB LYS 32 1HB LYS 32 3.018 -6.611 6.582 238 1HG LYS 32 2HG LYS 32 2.209 -7.771 8.741 239 2HG LYS 32 1HG LYS 32 2.025 -9.220 7.755 240 1HD LYS 32 2HD LYS 32 4.592 -7.628 7.997 241 2HD LYS 32 1HD LYS 32 4.236 -9.087 8.920 242 1HE LYS 32 2HE LYS 32 3.836 -10.233 6.659 243 2HE LYS 32 1HE LYS 32 4.599 -8.818 5.933 244 1HZ LYS 32 1HZ LYS 32 5.908 -10.987 6.884 245 2HZ LYS 32 2HZ LYS 32 6.055 -9.884 8.167 246 3HZ LYS 32 3HZ LYS 32 6.605 -9.465 6.615 247 H MET 33 H MET 33 0.265 -6.467 4.158 248 HA MET 33 HA MET 33 1.251 -3.774 3.831 249 1HB MET 33 2HB MET 33 -0.812 -5.414 2.342 250 2HB MET 33 1HB MET 33 -0.422 -3.767 1.860 251 1HG MET 33 2HG MET 33 2.062 -4.654 1.883 252 2HG MET 33 1HG MET 33 1.283 -6.228 1.712 253 1HE MET 33 1HE MET 33 1.381 -2.706 0.822 254 2HE MET 33 2HE MET 33 0.689 -2.515 -0.781 255 3HE MET 33 3HE MET 33 2.380 -2.972 -0.612 256 H ARG 34 H ARG 34 -2.084 -4.903 3.753 257 HA ARG 34 HA ARG 34 -3.404 -2.485 4.182 258 1HB ARG 34 2HB ARG 34 -4.409 -4.816 3.768 259 2HB ARG 34 1HB ARG 34 -4.265 -5.082 5.500 260 1HG ARG 34 2HG ARG 34 -6.009 -3.656 6.014 261 2HG ARG 34 1HG ARG 34 -5.624 -2.535 4.717 262 1HD ARG 34 2HD ARG 34 -6.532 -4.252 3.085 263 2HD ARG 34 1HD ARG 34 -7.102 -5.172 4.471 264 HE ARG 34 HE ARG 34 -8.275 -2.725 3.430 265 1HH1 ARG 34 1HH2 ARG 34 -7.749 -4.755 6.167 266 2HH1 ARG 34 2HH2 ARG 34 -9.160 -4.214 7.013 267 1HH2 ARG 34 1HH1 ARG 34 -10.134 -2.002 4.527 268 2HH2 ARG 34 2HH1 ARG 34 -10.510 -2.661 6.083 269 H ALA 35 H ALA 35 -1.570 -4.423 6.393 270 HA ALA 35 HA ALA 35 -2.526 -3.096 8.812 271 1HB ALA 35 1HB ALA 35 0.120 -4.529 8.556 272 2HB ALA 35 2HB ALA 35 -1.398 -5.420 8.632 273 3HB ALA 35 3HB ALA 35 -0.919 -4.383 9.973 274 H ALA 36 H ALA 36 0.630 -2.994 7.067 275 HA ALA 36 HA ALA 36 1.591 -0.729 8.535 276 1HB ALA 36 1HB ALA 36 3.195 -2.043 7.339 277 2HB ALA 36 2HB ALA 36 3.159 -0.474 6.533 278 3HB ALA 36 3HB ALA 36 2.318 -1.852 5.820 279 H ALA 37 H ALA 37 -0.213 -0.944 5.472 280 HA ALA 37 HA ALA 37 -0.033 1.780 4.731 281 1HB ALA 37 1HB ALA 37 -2.038 1.419 3.429 282 2HB ALA 37 2HB ALA 37 -2.498 0.041 4.429 283 3HB ALA 37 3HB ALA 37 -1.091 -0.068 3.371 284 H LEU 38 H LEU 38 -2.198 0.162 7.034 285 HA LEU 38 HA LEU 38 -3.806 2.478 7.596 286 1HB LEU 38 2HB LEU 38 -3.184 -0.026 9.177 287 2HB LEU 38 1HB LEU 38 -4.261 1.221 9.794 288 HG LEU 38 HG LEU 38 -4.712 0.044 7.044 289 1HD1 LEU 38 1HD1 LEU 38 -5.925 -1.056 9.594 290 2HD1 LEU 38 2HD1 LEU 38 -4.569 -1.818 8.766 291 3HD1 LEU 38 3HD1 LEU 38 -6.128 -1.676 7.957 292 1HD2 LEU 38 1HD2 LEU 38 -6.066 1.981 7.520 293 2HD2 LEU 38 2HD2 LEU 38 -6.456 1.391 9.135 294 3HD2 LEU 38 3HD2 LEU 38 -7.113 0.580 7.717 295 H ASP 39 H ASP 39 -0.719 1.293 8.851 296 HA ASP 39 HA ASP 39 -0.642 3.398 10.921 297 1HB ASP 39 2HB ASP 39 0.356 1.097 11.240 298 2HB ASP 39 1HB ASP 39 1.576 1.529 10.042 299 H ALA 40 H ALA 40 0.971 2.643 7.843 300 HA ALA 40 HA ALA 40 2.806 4.811 7.844 301 1HB ALA 40 1HB ALA 40 3.224 4.269 5.618 302 2HB ALA 40 2HB ALA 40 1.525 3.958 5.260 303 3HB ALA 40 3HB ALA 40 2.466 2.775 6.164 304 H GLN 41 H GLN 41 -0.603 4.858 7.621 305 HA GLN 41 HA GLN 41 -1.203 6.987 5.937 306 1HB GLN 41 2HB GLN 41 -2.942 5.787 7.136 307 2HB GLN 41 1HB GLN 41 -2.333 6.368 8.683 308 1HG GLN 41 2HG GLN 41 -3.107 8.371 6.575 309 2HG GLN 41 1HG GLN 41 -4.374 7.593 7.520 310 1HE2 GLN 41 1HE2 GLN 41 -2.099 10.151 7.534 311 2HE2 GLN 41 2HE2 GLN 41 -2.222 10.560 9.175 312 H LYS 42 H LYS 42 -0.241 7.242 9.369 313 HA LYS 42 HA LYS 42 -0.081 10.128 9.293 314 1HB LYS 42 2HB LYS 42 1.085 8.112 11.235 315 2HB LYS 42 1HB LYS 42 1.180 9.857 11.449 316 1HG LYS 42 2HG LYS 42 -0.750 9.497 12.664 317 2HG LYS 42 1HG LYS 42 -1.483 9.667 11.079 318 1HD LYS 42 2HD LYS 42 -2.459 7.680 11.810 319 2HD LYS 42 1HD LYS 42 -1.071 7.063 10.921 320 1HE LYS 42 2HE LYS 42 0.200 7.125 13.148 321 2HE LYS 42 1HE LYS 42 -1.367 7.379 13.912 322 1HZ LYS 42 1HZ LYS 42 -2.133 5.339 12.753 323 2HZ LYS 42 2HZ LYS 42 -0.917 5.062 13.907 324 3HZ LYS 42 3HZ LYS 42 -0.536 5.067 12.251 325 H ALA 43 H ALA 43 1.633 8.233 7.432 326 HA ALA 43 HA ALA 43 4.360 9.041 8.112 327 1HB ALA 43 1HB ALA 43 3.291 7.908 5.506 328 2HB ALA 43 2HB ALA 43 3.877 6.937 6.858 329 3HB ALA 43 3HB ALA 43 4.984 7.997 5.989 330 H THR 44 H THR 44 5.616 10.594 6.912 331 HA THR 44 HA THR 44 4.212 12.299 4.955 332 HB THR 44 HB THR 44 5.113 14.310 6.524 333 HG1 THR 44 1HG THR 44 4.893 12.048 8.113 334 1HG2 THR 44 1HG2 THR 44 2.859 14.604 7.343 335 2HG2 THR 44 2HG2 THR 44 2.499 12.897 7.104 336 3HG2 THR 44 3HG2 THR 44 2.764 13.947 5.710 337 HA PRO 45 HA PRO 45 8.779 11.400 4.284 338 1HB PRO 45 2HB PRO 45 7.736 11.475 1.486 339 2HB PRO 45 1HB PRO 45 8.858 10.336 2.243 340 1HG PRO 45 2HG PRO 45 6.269 9.721 1.738 341 2HG PRO 45 1HG PRO 45 7.183 9.027 3.085 342 1HD PRO 45 2HD PRO 45 5.002 11.040 3.161 343 2HD PRO 45 1HD PRO 45 5.561 9.940 4.430 344 HA PRO 46 HA PRO 46 8.885 15.511 1.964 345 1HB PRO 46 2HB PRO 46 6.701 16.648 0.899 346 2HB PRO 46 1HB PRO 46 7.433 15.211 0.162 347 1HG PRO 46 2HG PRO 46 4.932 15.455 1.732 348 2HG PRO 46 1HG PRO 46 5.367 14.286 0.479 349 1HD PRO 46 2HD PRO 46 5.524 13.936 3.337 350 2HD PRO 46 1HD PRO 46 5.976 12.773 2.084 351 H LYS 47 H LYS 47 6.429 15.167 4.346 352 HA LYS 47 HA LYS 47 5.887 16.465 6.212 353 1HB LYS 47 2HB LYS 47 7.937 18.499 5.295 354 2HB LYS 47 1HB LYS 47 7.266 18.290 6.900 355 1HG LYS 47 2HG LYS 47 8.391 16.210 7.224 356 2HG LYS 47 1HG LYS 47 8.853 16.115 5.526 357 1HD LYS 47 2HD LYS 47 10.306 18.063 5.770 358 2HD LYS 47 1HD LYS 47 9.783 18.274 7.440 359 1HE LYS 47 2HE LYS 47 11.049 15.699 6.497 360 2HE LYS 47 1HE LYS 47 12.023 17.056 7.064 361 1HZ LYS 47 1HZ LYS 47 10.561 17.023 9.099 362 2HZ LYS 47 2HZ LYS 47 11.641 15.721 8.933 363 3HZ LYS 47 3HZ LYS 47 9.995 15.515 8.568 364 H LEU 48 H LEU 48 3.815 17.074 5.708 365 HA LEU 48 HA LEU 48 3.363 19.181 3.703 366 1HB LEU 48 2HB LEU 48 1.660 17.261 5.244 367 2HB LEU 48 1HB LEU 48 0.890 18.776 4.793 368 HG LEU 48 HG LEU 48 1.967 18.181 2.389 369 1HD1 LEU 48 1HD1 LEU 48 2.111 15.859 1.940 370 2HD1 LEU 48 2HD1 LEU 48 1.346 15.431 3.471 371 3HD1 LEU 48 3HD1 LEU 48 2.988 16.073 3.456 372 1HD2 LEU 48 1HD2 LEU 48 -0.586 17.152 3.627 373 2HD2 LEU 48 2HD2 LEU 48 -0.218 16.912 1.918 374 3HD2 LEU 48 3HD2 LEU 48 -0.360 18.545 2.567 375 H GLU 49 H GLU 49 4.801 19.632 6.298 376 HA GLU 49 HA GLU 49 3.054 21.784 7.441 377 1HB GLU 49 2HB GLU 49 5.563 20.492 8.575 378 2HB GLU 49 1HB GLU 49 4.605 21.746 9.367 379 1HG GLU 49 2HG GLU 49 2.609 20.116 9.107 380 2HG GLU 49 1HG GLU 49 3.830 18.886 8.778 381 H ASP 50 H ASP 50 4.630 21.744 4.912 382 HA ASP 50 HA ASP 50 6.154 24.252 5.376 383 1HB ASP 50 2HB ASP 50 7.602 22.046 5.366 384 2HB ASP 50 1HB ASP 50 7.346 22.106 3.625 385 H LYS 51 H LYS 51 5.399 21.907 2.782 386 HA LYS 51 HA LYS 51 5.138 23.944 0.780 387 1HB LYS 51 2HB LYS 51 4.296 22.185 -0.631 388 2HB LYS 51 1HB LYS 51 5.573 21.506 0.356 389 1HG LYS 51 2HG LYS 51 3.921 20.547 1.894 390 2HG LYS 51 1HG LYS 51 2.607 21.276 0.976 391 1HD LYS 51 2HD LYS 51 2.621 19.126 0.077 392 2HD LYS 51 1HD LYS 51 3.680 19.961 -1.055 393 1HE LYS 51 2HE LYS 51 5.618 19.207 0.478 394 2HE LYS 51 1HE LYS 51 4.445 18.114 1.210 395 1HZ LYS 51 1HZ LYS 51 4.954 18.229 -1.706 396 2HZ LYS 51 2HZ LYS 51 4.080 17.051 -0.850 397 3HZ LYS 51 3HZ LYS 51 5.766 17.162 -0.666 398 H SER 52 H SER 52 2.610 23.399 -0.415 399 HA SER 52 HA SER 52 0.944 25.067 1.249 400 1HB SER 52 2HB SER 52 1.013 24.953 -1.335 401 2HB SER 52 1HB SER 52 -0.014 23.534 -1.168 402 HG SER 52 HG SER 52 -1.625 24.800 -0.696 403 HA PRO 53 HA PRO 53 -1.051 21.673 3.407 404 1HB PRO 53 2HB PRO 53 -3.130 22.932 4.524 405 2HB PRO 53 1HB PRO 53 -1.468 23.416 4.939 406 1HG PRO 53 2HG PRO 53 -3.313 24.630 2.902 407 2HG PRO 53 1HG PRO 53 -2.445 25.437 4.233 408 1HD PRO 53 2HD PRO 53 -1.453 25.405 1.712 409 2HD PRO 53 1HD PRO 53 -0.383 25.318 3.132 410 H ASP 54 H ASP 54 -2.582 23.358 0.826 411 HA ASP 54 HA ASP 54 -4.144 22.618 -0.740 412 1HB ASP 54 2HB ASP 54 -3.168 20.273 0.013 413 2HB ASP 54 1HB ASP 54 -4.713 20.111 0.839 414 H SER 55 H SER 55 -6.557 20.953 0.296 415 HA SER 55 HA SER 55 -7.673 22.678 2.360 416 1HB SER 55 2HB SER 55 -7.874 24.181 0.475 417 2HB SER 55 1HB SER 55 -8.656 22.930 -0.489 418 HG SER 55 HG SER 55 -10.097 24.460 0.564 419 HA PRO 56 HA PRO 56 -10.876 19.236 0.764 420 1HB PRO 56 2HB PRO 56 -8.732 17.161 0.455 421 2HB PRO 56 1HB PRO 56 -10.268 17.327 -0.422 422 1HG PRO 56 2HG PRO 56 -8.030 18.031 -1.597 423 2HG PRO 56 1HG PRO 56 -9.448 19.093 -1.730 424 1HD PRO 56 2HD PRO 56 -7.043 19.385 0.062 425 2HD PRO 56 1HD PRO 56 -7.875 20.631 -0.906 426 H GLU 57 H GLU 57 -9.700 20.103 3.297 427 HA GLU 57 HA GLU 57 -9.435 19.363 5.522 428 1HB GLU 57 2HB GLU 57 -11.861 18.655 4.843 429 2HB GLU 57 1HB GLU 57 -11.197 17.025 4.747 430 1HG GLU 57 2HG GLU 57 -12.009 17.203 6.968 431 2HG GLU 57 1HG GLU 57 -10.270 17.453 7.115 432 H MET 58 H MET 58 -7.743 18.371 3.297 433 HA MET 58 HA MET 58 -5.973 16.934 2.968 434 1HB MET 58 2HB MET 58 -6.518 16.037 5.812 435 2HB MET 58 1HB MET 58 -5.062 15.776 4.877 436 1HG MET 58 2HG MET 58 -4.260 17.852 5.314 437 2HG MET 58 1HG MET 58 -5.806 18.627 4.970 438 1HE MET 58 1HE MET 58 -3.837 16.409 7.266 439 2HE MET 58 2HE MET 58 -4.140 17.013 8.893 440 3HE MET 58 3HE MET 58 -3.241 18.005 7.747 441 H LYS 59 H LYS 59 -9.108 16.037 3.518 442 HA LYS 59 HA LYS 59 -9.262 13.271 3.665 443 1HB LYS 59 2HB LYS 59 -11.162 14.937 3.385 444 2HB LYS 59 1HB LYS 59 -10.772 14.980 1.661 445 1HG LYS 59 2HG LYS 59 -11.127 12.231 2.782 446 2HG LYS 59 1HG LYS 59 -12.582 13.221 2.811 447 1HD LYS 59 2HD LYS 59 -12.553 13.533 0.456 448 2HD LYS 59 1HD LYS 59 -10.893 12.954 0.319 449 1HE LYS 59 2HE LYS 59 -12.456 11.212 -0.424 450 2HE LYS 59 1HE LYS 59 -11.637 10.700 1.051 451 1HZ LYS 59 1HZ LYS 59 -14.287 12.029 1.041 452 2HZ LYS 59 2HZ LYS 59 -13.525 11.244 2.341 453 3HZ LYS 59 3HZ LYS 59 -14.096 10.344 1.018 454 H ASP 60 H ASP 60 -8.769 15.233 0.751 455 HA ASP 60 HA ASP 60 -8.493 13.144 -1.108 456 1HB ASP 60 2HB ASP 60 -8.645 15.378 -1.902 457 2HB ASP 60 1HB ASP 60 -7.273 15.909 -0.931 458 H PHE 61 H PHE 61 -6.336 14.219 1.417 459 HA PHE 61 HA PHE 61 -3.995 12.834 0.351 460 1HB PHE 61 2HB PHE 61 -4.224 14.849 2.112 461 2HB PHE 61 1HB PHE 61 -4.299 13.527 3.269 462 HD1 PHE 61 1HD PHE 61 -2.257 12.939 4.226 463 HD2 PHE 61 2HD PHE 61 -2.303 14.411 0.191 464 HE1 PHE 61 1HE PHE 61 0.208 12.707 4.114 465 HE2 PHE 61 2HE PHE 61 0.163 14.183 0.084 466 HZ PHE 61 HZ PHE 61 1.418 13.332 2.046 467 H ARG 62 H ARG 62 -6.242 12.347 3.062 468 HA ARG 62 HA ARG 62 -5.411 9.700 3.746 469 1HB ARG 62 2HB ARG 62 -8.099 11.062 4.074 470 2HB ARG 62 1HB ARG 62 -7.619 9.590 4.899 471 1HG ARG 62 2HG ARG 62 -6.577 10.792 6.528 472 2HG ARG 62 1HG ARG 62 -5.540 11.560 5.331 473 1HD ARG 62 2HD ARG 62 -7.129 13.320 4.968 474 2HD ARG 62 1HD ARG 62 -8.361 12.483 5.890 475 HE ARG 62 HE ARG 62 -6.135 14.026 7.011 476 1HH1 ARG 62 1HH2 ARG 62 -8.558 11.609 7.446 477 2HH1 ARG 62 2HH2 ARG 62 -8.595 11.767 9.170 478 1HH2 ARG 62 1HH1 ARG 62 -6.171 14.244 9.264 479 2HH2 ARG 62 2HH1 ARG 62 -7.244 13.256 10.199 480 H HIS 63 H HIS 63 -7.640 10.949 1.322 481 HA HIS 63 HA HIS 63 -9.019 8.518 0.705 482 1HB HIS 63 2HB HIS 63 -9.221 11.068 -0.211 483 2HB HIS 63 1HB HIS 63 -8.307 10.382 -1.546 484 HD1 HIS 63 1HD HIS 63 -10.876 8.471 0.449 485 HD2 HIS 63 2HD HIS 63 -10.493 10.175 -3.334 486 HE1 HIS 63 1HE HIS 63 -12.853 7.675 -0.890 487 H GLY 64 H GLY 64 -5.908 9.822 -0.443 488 1HA GLY 64 2HA GLY 64 -5.466 7.701 -2.319 489 2HA GLY 64 1HA GLY 64 -4.202 8.705 -1.604 490 H PHE 65 H PHE 65 -4.987 8.001 1.162 491 HA PHE 65 HA PHE 65 -3.522 5.453 1.329 492 1HB PHE 65 2HB PHE 65 -4.529 7.500 3.293 493 2HB PHE 65 1HB PHE 65 -4.187 5.875 3.887 494 HD1 PHE 65 1HD PHE 65 -2.767 9.022 2.810 495 HD2 PHE 65 2HD PHE 65 -1.895 4.870 3.472 496 HE1 PHE 65 1HE PHE 65 -0.340 9.531 2.853 497 HE2 PHE 65 2HE PHE 65 0.531 5.384 3.510 498 HZ PHE 65 HZ PHE 65 1.305 7.719 3.195 499 H ASP 66 H ASP 66 -6.816 6.654 1.957 500 HA ASP 66 HA ASP 66 -7.818 4.078 2.834 501 1HB ASP 66 2HB ASP 66 -8.960 6.226 3.381 502 2HB ASP 66 1HB ASP 66 -9.345 6.430 1.671 503 H ILE 67 H ILE 67 -7.921 5.883 -0.246 504 HA ILE 67 HA ILE 67 -9.373 3.988 -1.759 505 HB ILE 67 HB ILE 67 -7.117 5.848 -2.594 506 1HG1 ILE 67 2HG1 ILE 67 -9.449 6.693 -1.686 507 2HG1 ILE 67 1HG1 ILE 67 -8.775 7.413 -3.141 508 1HG2 ILE 67 1HG2 ILE 67 -7.151 4.199 -4.287 509 2HG2 ILE 67 2HG2 ILE 67 -8.169 5.494 -4.918 510 3HG2 ILE 67 3HG2 ILE 67 -8.908 4.049 -4.230 511 1HD1 ILE 67 1HD1 ILE 67 -10.577 5.030 -3.435 512 2HD1 ILE 67 2HD1 ILE 67 -10.317 6.380 -4.536 513 3HD1 ILE 67 3HD1 ILE 67 -11.294 6.602 -3.086 514 H LEU 68 H LEU 68 -5.893 4.233 -1.123 515 HA LEU 68 HA LEU 68 -5.001 2.041 -2.679 516 1HB LEU 68 2HB LEU 68 -3.324 3.455 -1.836 517 2HB LEU 68 1HB LEU 68 -3.995 3.446 -0.213 518 HG LEU 68 HG LEU 68 -3.209 1.181 0.169 519 1HD1 LEU 68 1HD1 LEU 68 -1.608 0.336 -1.848 520 2HD1 LEU 68 2HD1 LEU 68 -2.808 1.212 -2.792 521 3HD1 LEU 68 3HD1 LEU 68 -3.308 -0.107 -1.735 522 1HD2 LEU 68 1HD2 LEU 68 -1.563 2.860 0.636 523 2HD2 LEU 68 2HD2 LEU 68 -1.162 3.037 -1.073 524 3HD2 LEU 68 3HD2 LEU 68 -0.720 1.563 -0.211 525 H VAL 69 H VAL 69 -5.843 2.095 0.794 526 HA VAL 69 HA VAL 69 -5.508 -0.667 1.259 527 HB VAL 69 HB VAL 69 -7.228 1.432 2.583 528 1HG1 VAL 69 1HG1 VAL 69 -6.928 -1.490 3.163 529 2HG1 VAL 69 2HG1 VAL 69 -8.366 -0.482 3.247 530 3HG1 VAL 69 3HG1 VAL 69 -7.139 -0.369 4.507 531 1HG2 VAL 69 1HG2 VAL 69 -4.841 1.798 2.836 532 2HG2 VAL 69 2HG2 VAL 69 -4.585 0.108 3.268 533 3HG2 VAL 69 3HG2 VAL 69 -5.460 1.175 4.364 534 H GLY 70 H GLY 70 -7.981 0.966 -0.506 535 1HA GLY 70 2HA GLY 70 -10.056 -1.008 0.028 536 2HA GLY 70 1HA GLY 70 -10.116 0.237 -1.212 537 H GLN 71 H GLN 71 -7.791 -0.419 -2.693 538 HA GLN 71 HA GLN 71 -8.824 -2.700 -4.163 539 1HB GLN 71 2HB GLN 71 -7.324 -2.120 -5.827 540 2HB GLN 71 1HB GLN 71 -7.376 -0.593 -4.960 541 1HG GLN 71 2HG GLN 71 -5.084 -0.907 -5.149 542 2HG GLN 71 1HG GLN 71 -5.370 -1.646 -3.586 543 1HE2 GLN 71 1HE2 GLN 71 -6.768 -3.992 -5.005 544 2HE2 GLN 71 2HE2 GLN 71 -5.488 -4.925 -5.610 545 H ILE 72 H ILE 72 -6.412 -2.178 -1.713 546 HA ILE 72 HA ILE 72 -5.299 -4.866 -1.940 547 HB ILE 72 HB ILE 72 -5.074 -2.644 0.115 548 1HG1 ILE 72 2HG1 ILE 72 -3.114 -4.048 -1.719 549 2HG1 ILE 72 1HG1 ILE 72 -3.824 -2.465 -2.011 550 1HG2 ILE 72 1HG2 ILE 72 -3.373 -4.133 1.258 551 2HG2 ILE 72 2HG2 ILE 72 -3.922 -5.462 0.243 552 3HG2 ILE 72 3HG2 ILE 72 -5.019 -4.728 1.406 553 1HD1 ILE 72 1HD1 ILE 72 -1.790 -1.858 -1.063 554 2HD1 ILE 72 2HD1 ILE 72 -1.742 -3.268 -0.008 555 3HD1 ILE 72 3HD1 ILE 72 -2.808 -1.916 0.375 556 H ASP 73 H ASP 73 -7.939 -3.266 -0.265 557 HA ASP 73 HA ASP 73 -8.455 -5.268 1.706 558 1HB ASP 73 2HB ASP 73 -9.589 -3.110 1.770 559 2HB ASP 73 1HB ASP 73 -10.399 -3.457 0.239 560 H ASP 74 H ASP 74 -9.874 -4.878 -1.570 561 HA ASP 74 HA ASP 74 -11.273 -7.392 -1.476 562 1HB ASP 74 2HB ASP 74 -11.960 -6.913 -3.646 563 2HB ASP 74 1HB ASP 74 -11.516 -5.298 -3.105 564 H ALA 75 H ALA 75 -7.989 -6.497 -2.456 565 HA ALA 75 HA ALA 75 -7.442 -9.040 -3.699 566 1HB ALA 75 1HB ALA 75 -5.177 -8.324 -3.820 567 2HB ALA 75 2HB ALA 75 -5.344 -7.280 -2.408 568 3HB ALA 75 3HB ALA 75 -6.100 -6.825 -3.935 569 H LEU 76 H LEU 76 -7.476 -7.817 -0.431 570 HA LEU 76 HA LEU 76 -5.908 -9.784 0.862 571 1HB LEU 76 2HB LEU 76 -7.542 -7.626 1.602 572 2HB LEU 76 1HB LEU 76 -8.420 -9.004 2.246 573 HG LEU 76 HG LEU 76 -6.046 -9.709 3.163 574 1HD1 LEU 76 1HD1 LEU 76 -4.475 -7.991 3.498 575 2HD1 LEU 76 2HD1 LEU 76 -5.665 -6.719 3.220 576 3HD1 LEU 76 3HD1 LEU 76 -5.061 -7.667 1.867 577 1HD2 LEU 76 1HD2 LEU 76 -7.830 -9.242 4.692 578 2HD2 LEU 76 2HD2 LEU 76 -7.817 -7.526 4.287 579 3HD2 LEU 76 3HD2 LEU 76 -6.484 -8.225 5.206 580 H LYS 77 H LYS 77 -9.135 -9.689 -0.444 581 HA LYS 77 HA LYS 77 -10.088 -12.198 0.545 582 1HB LYS 77 2HB LYS 77 -11.384 -10.184 -0.456 583 2HB LYS 77 1HB LYS 77 -10.954 -10.867 -2.028 584 1HG LYS 77 2HG LYS 77 -13.015 -11.889 -1.610 585 2HG LYS 77 1HG LYS 77 -11.863 -13.094 -1.032 586 1HD LYS 77 2HD LYS 77 -12.201 -11.582 1.251 587 2HD LYS 77 1HD LYS 77 -13.788 -11.415 0.511 588 1HE LYS 77 2HE LYS 77 -13.943 -13.895 0.345 589 2HE LYS 77 1HE LYS 77 -12.372 -14.028 1.144 590 1HZ LYS 77 1HZ LYS 77 -14.967 -13.399 2.257 591 2HZ LYS 77 2HZ LYS 77 -13.707 -12.403 2.808 592 3HZ LYS 77 3HZ LYS 77 -13.605 -14.087 2.997 593 H LEU 78 H LEU 78 -8.743 -11.211 -2.617 594 HA LEU 78 HA LEU 78 -8.938 -13.711 -3.893 595 1HB LEU 78 2HB LEU 78 -7.219 -11.282 -4.216 596 2HB LEU 78 1HB LEU 78 -6.671 -12.741 -5.044 597 HG LEU 78 HG LEU 78 -8.825 -12.946 -6.186 598 1HD1 LEU 78 1HD1 LEU 78 -10.407 -10.893 -5.924 599 2HD1 LEU 78 2HD1 LEU 78 -9.551 -10.609 -4.409 600 3HD1 LEU 78 3HD1 LEU 78 -10.430 -12.117 -4.657 601 1HD2 LEU 78 1HD2 LEU 78 -8.017 -10.040 -6.442 602 2HD2 LEU 78 2HD2 LEU 78 -8.527 -11.154 -7.711 603 3HD2 LEU 78 3HD2 LEU 78 -6.937 -11.330 -6.968 604 H ALA 79 H ALA 79 -6.491 -12.486 -1.668 605 HA ALA 79 HA ALA 79 -4.653 -14.667 -1.924 606 1HB ALA 79 1HB ALA 79 -4.331 -12.426 -0.691 607 2HB ALA 79 2HB ALA 79 -3.685 -13.861 0.102 608 3HB ALA 79 3HB ALA 79 -5.209 -13.164 0.644 609 H ASN 80 H ASN 80 -7.313 -14.084 0.382 610 HA ASN 80 HA ASN 80 -7.050 -16.690 1.591 611 1HB ASN 80 2HB ASN 80 -8.168 -14.408 2.446 612 2HB ASN 80 1HB ASN 80 -9.624 -15.181 1.826 613 1HD2 ASN 80 1HD2 ASN 80 -6.713 -16.192 3.688 614 2HD2 ASN 80 2HD2 ASN 80 -7.558 -17.138 4.783 615 H GLU 81 H GLU 81 -8.483 -15.713 -1.358 616 HA GLU 81 HA GLU 81 -10.458 -17.942 -1.317 617 1HB GLU 81 2HB GLU 81 -9.893 -15.671 -3.212 618 2HB GLU 81 1HB GLU 81 -10.900 -17.025 -3.708 619 1HG GLU 81 2HG GLU 81 -11.415 -15.495 -1.152 620 2HG GLU 81 1HG GLU 81 -12.115 -15.003 -2.694 621 H GLY 82 H GLY 82 -7.215 -17.445 -2.151 622 1HA GLY 82 2HA GLY 82 -5.797 -19.257 -2.871 623 2HA GLY 82 1HA GLY 82 -7.187 -20.032 -3.620 624 H LYS 83 H LYS 83 -7.036 -16.691 -4.318 625 HA LYS 83 HA LYS 83 -6.138 -17.336 -7.085 626 1HB LYS 83 2HB LYS 83 -7.072 -14.593 -6.311 627 2HB LYS 83 1HB LYS 83 -7.272 -15.450 -7.831 628 1HG LYS 83 2HG LYS 83 -8.775 -15.850 -5.253 629 2HG LYS 83 1HG LYS 83 -9.412 -15.360 -6.812 630 1HD LYS 83 2HD LYS 83 -8.395 -17.726 -7.568 631 2HD LYS 83 1HD LYS 83 -8.632 -18.096 -5.862 632 1HE LYS 83 2HE LYS 83 -10.673 -18.739 -6.828 633 2HE LYS 83 1HE LYS 83 -11.022 -17.125 -6.206 634 1HZ LYS 83 1HZ LYS 83 -10.137 -16.478 -8.594 635 2HZ LYS 83 2HZ LYS 83 -11.766 -16.872 -8.313 636 3HZ LYS 83 3HZ LYS 83 -10.710 -18.032 -8.962 637 H VAL 84 H VAL 84 -3.953 -17.584 -6.493 638 HA VAL 84 HA VAL 84 -2.426 -15.414 -5.305 639 HB VAL 84 HB VAL 84 -1.463 -17.914 -6.736 640 1HG1 VAL 84 1HG1 VAL 84 0.598 -17.405 -5.289 641 2HG1 VAL 84 2HG1 VAL 84 -0.085 -15.792 -5.084 642 3HG1 VAL 84 3HG1 VAL 84 0.344 -16.369 -6.694 643 1HG2 VAL 84 1HG2 VAL 84 -2.680 -18.658 -4.858 644 2HG2 VAL 84 2HG2 VAL 84 -2.176 -17.286 -3.878 645 3HG2 VAL 84 3HG2 VAL 84 -1.023 -18.562 -4.262 646 H LYS 85 H LYS 85 -2.465 -16.872 -8.588 647 HA LYS 85 HA LYS 85 -0.744 -14.982 -9.784 648 1HB LYS 85 2HB LYS 85 -3.155 -16.384 -10.995 649 2HB LYS 85 1HB LYS 85 -1.943 -15.505 -11.920 650 1HG LYS 85 2HG LYS 85 -0.945 -17.577 -12.075 651 2HG LYS 85 1HG LYS 85 -0.286 -17.136 -10.508 652 1HD LYS 85 2HD LYS 85 -1.184 -19.148 -9.850 653 2HD LYS 85 1HD LYS 85 -2.679 -18.230 -9.721 654 1HE LYS 85 2HE LYS 85 -3.202 -18.851 -12.094 655 2HE LYS 85 1HE LYS 85 -1.756 -19.862 -12.103 656 1HZ LYS 85 1HZ LYS 85 -3.144 -21.435 -11.366 657 2HZ LYS 85 2HZ LYS 85 -4.323 -20.320 -10.862 658 3HZ LYS 85 3HZ LYS 85 -2.994 -20.667 -9.860 659 H GLU 86 H GLU 86 -4.229 -14.787 -9.123 660 HA GLU 86 HA GLU 86 -4.585 -12.231 -10.415 661 1HB GLU 86 2HB GLU 86 -6.173 -13.419 -8.106 662 2HB GLU 86 1HB GLU 86 -6.670 -12.075 -9.137 663 1HG GLU 86 2HG GLU 86 -6.431 -13.663 -11.121 664 2HG GLU 86 1HG GLU 86 -6.317 -14.969 -9.942 665 H ALA 87 H ALA 87 -3.844 -13.298 -7.109 666 HA ALA 87 HA ALA 87 -3.804 -10.647 -5.994 667 1HB ALA 87 1HB ALA 87 -2.269 -13.086 -5.058 668 2HB ALA 87 2HB ALA 87 -3.949 -12.747 -4.640 669 3HB ALA 87 3HB ALA 87 -2.668 -11.666 -4.091 670 H GLN 88 H GLN 88 -1.178 -12.796 -7.064 671 HA GLN 88 HA GLN 88 0.945 -10.954 -6.707 672 1HB GLN 88 2HB GLN 88 2.046 -12.865 -7.250 673 2HB GLN 88 1HB GLN 88 0.542 -13.613 -7.683 674 1HG GLN 88 2HG GLN 88 0.754 -12.899 -9.976 675 2HG GLN 88 1HG GLN 88 2.149 -11.912 -9.575 676 1HE2 GLN 88 1HE2 GLN 88 1.276 -15.323 -8.783 677 2HE2 GLN 88 2HE2 GLN 88 2.727 -15.974 -9.346 678 H ALA 89 H ALA 89 -1.031 -11.686 -9.593 679 HA ALA 89 HA ALA 89 0.179 -9.823 -11.349 680 1HB ALA 89 1HB ALA 89 -2.768 -10.541 -11.193 681 2HB ALA 89 2HB ALA 89 -1.549 -11.487 -12.045 682 3HB ALA 89 3HB ALA 89 -1.939 -9.855 -12.590 683 H ALA 90 H ALA 90 -2.178 -9.405 -8.759 684 HA ALA 90 HA ALA 90 -2.812 -6.650 -9.359 685 1HB ALA 90 1HB ALA 90 -4.007 -8.322 -7.728 686 2HB ALA 90 2HB ALA 90 -3.916 -6.620 -7.274 687 3HB ALA 90 3HB ALA 90 -2.802 -7.785 -6.557 688 H ALA 91 H ALA 91 -0.206 -8.317 -7.778 689 HA ALA 91 HA ALA 91 0.975 -6.261 -6.262 690 1HB ALA 91 1HB ALA 91 1.746 -8.727 -6.586 691 2HB ALA 91 2HB ALA 91 2.990 -7.499 -6.367 692 3HB ALA 91 3HB ALA 91 2.637 -8.113 -7.980 693 H GLU 92 H GLU 92 1.488 -7.038 -9.719 694 HA GLU 92 HA GLU 92 3.134 -4.743 -10.224 695 1HB GLU 92 2HB GLU 92 1.583 -6.684 -11.905 696 2HB GLU 92 1HB GLU 92 2.094 -5.177 -12.667 697 1HG GLU 92 2HG GLU 92 4.375 -5.644 -12.380 698 2HG GLU 92 1HG GLU 92 4.082 -6.809 -11.089 699 H GLN 93 H GLN 93 -0.309 -5.190 -9.852 700 HA GLN 93 HA GLN 93 -1.016 -2.656 -11.108 701 1HB GLN 93 2HB GLN 93 -2.578 -4.699 -10.689 702 2HB GLN 93 1HB GLN 93 -2.667 -4.133 -9.028 703 1HG GLN 93 2HG GLN 93 -3.188 -2.031 -11.085 704 2HG GLN 93 1HG GLN 93 -4.379 -3.320 -11.020 705 1HE2 GLN 93 1HE2 GLN 93 -2.539 -2.010 -8.222 706 2HE2 GLN 93 2HE2 GLN 93 -3.902 -1.414 -7.409 707 H LEU 94 H LEU 94 -0.230 -3.889 -7.908 708 HA LEU 94 HA LEU 94 -0.825 -1.500 -6.436 709 1HB LEU 94 2HB LEU 94 0.814 -3.954 -5.964 710 2HB LEU 94 1HB LEU 94 1.197 -2.559 -4.971 711 HG LEU 94 HG LEU 94 -1.412 -2.494 -4.530 712 1HD1 LEU 94 1HD1 LEU 94 -1.950 -4.204 -6.229 713 2HD1 LEU 94 2HD1 LEU 94 -2.448 -4.727 -4.619 714 3HD1 LEU 94 3HD1 LEU 94 -0.985 -5.382 -5.346 715 1HD2 LEU 94 1HD2 LEU 94 -0.098 -4.864 -3.222 716 2HD2 LEU 94 2HD2 LEU 94 -1.054 -3.572 -2.509 717 3HD2 LEU 94 3HD2 LEU 94 0.604 -3.268 -2.968 718 H LYS 95 H LYS 95 2.158 -2.787 -7.853 719 HA LYS 95 HA LYS 95 3.951 -0.735 -7.219 720 1HB LYS 95 2HB LYS 95 3.708 -2.352 -9.782 721 2HB LYS 95 1HB LYS 95 5.126 -1.401 -9.327 722 1HG LYS 95 2HG LYS 95 4.773 -2.903 -7.043 723 2HG LYS 95 1HG LYS 95 4.169 -4.017 -8.260 724 1HD LYS 95 2HD LYS 95 6.525 -4.437 -7.971 725 2HD LYS 95 1HD LYS 95 6.300 -3.682 -9.548 726 1HE LYS 95 2HE LYS 95 7.380 -1.733 -8.904 727 2HE LYS 95 1HE LYS 95 6.811 -1.836 -7.235 728 1HZ LYS 95 1HZ LYS 95 8.895 -3.574 -8.442 729 2HZ LYS 95 2HZ LYS 95 8.378 -3.600 -6.824 730 3HZ LYS 95 3HZ LYS 95 9.196 -2.242 -7.437 731 H THR 96 H THR 96 1.610 -0.894 -9.905 732 HA THR 96 HA THR 96 2.350 1.702 -10.982 733 HB THR 96 HB THR 96 -0.295 0.253 -11.316 734 HG1 THR 96 1HG THR 96 2.191 -0.444 -12.074 735 1HG2 THR 96 1HG2 THR 96 -0.245 1.436 -13.522 736 2HG2 THR 96 2HG2 THR 96 1.209 2.282 -12.990 737 3HG2 THR 96 3HG2 THR 96 -0.318 2.535 -12.144 738 H THR 97 H THR 97 -0.031 0.555 -8.613 739 HA THR 97 HA THR 97 -1.510 2.986 -8.377 740 HB THR 97 HB THR 97 -0.944 0.727 -6.474 741 HG1 THR 97 1HG THR 97 -2.751 0.056 -7.259 742 1HG2 THR 97 1HG2 THR 97 -2.746 1.862 -5.024 743 2HG2 THR 97 2HG2 THR 97 -2.314 3.336 -5.890 744 3HG2 THR 97 3HG2 THR 97 -1.096 2.488 -4.932 745 H ILE 98 H ILE 98 1.400 1.793 -6.722 746 HA ILE 98 HA ILE 98 1.862 3.893 -4.927 747 HB ILE 98 HB ILE 98 3.816 2.323 -6.602 748 1HG1 ILE 98 2HG1 ILE 98 2.986 2.039 -3.694 749 2HG1 ILE 98 1HG1 ILE 98 2.353 1.051 -5.008 750 1HG2 ILE 98 1HG2 ILE 98 4.250 4.245 -4.306 751 2HG2 ILE 98 2HG2 ILE 98 5.009 4.269 -5.896 752 3HG2 ILE 98 3HG2 ILE 98 5.443 3.019 -4.734 753 1HD1 ILE 98 1HD1 ILE 98 4.928 0.595 -5.479 754 2HD1 ILE 98 2HD1 ILE 98 4.068 -0.314 -4.238 755 3HD1 ILE 98 3HD1 ILE 98 5.088 1.048 -3.781 756 H ARG 99 H ARG 99 2.509 3.679 -8.399 757 HA ARG 99 HA ARG 99 4.016 6.027 -8.704 758 1HB ARG 99 2HB ARG 99 3.434 4.266 -10.468 759 2HB ARG 99 1HB ARG 99 1.918 5.131 -10.680 760 1HG ARG 99 2HG ARG 99 3.049 6.406 -12.211 761 2HG ARG 99 1HG ARG 99 3.750 7.214 -10.813 762 1HD ARG 99 2HD ARG 99 5.032 4.728 -11.980 763 2HD ARG 99 1HD ARG 99 5.355 6.324 -12.641 764 HE ARG 99 HE ARG 99 5.792 6.613 -9.908 765 1HH1 ARG 99 1HH2 ARG 99 6.901 4.584 -12.465 766 2HH1 ARG 99 2HH2 ARG 99 8.484 4.375 -11.791 767 1HH2 ARG 99 1HH1 ARG 99 7.852 6.355 -9.014 768 2HH2 ARG 99 2HH1 ARG 99 9.021 5.375 -9.836 769 H ALA 100 H ALA 100 0.459 5.681 -9.046 770 HA ALA 100 HA ALA 100 -0.015 8.501 -9.280 771 1HB ALA 100 1HB ALA 100 -1.706 6.780 -9.883 772 2HB ALA 100 2HB ALA 100 -2.353 7.947 -8.729 773 3HB ALA 100 3HB ALA 100 -1.854 6.347 -8.180 774 H TYR 101 H TYR 101 -0.348 6.304 -6.477 775 HA TYR 101 HA TYR 101 -0.915 8.272 -4.542 776 1HB TYR 101 2HB TYR 101 -1.123 6.058 -3.815 777 2HB TYR 101 1HB TYR 101 0.407 5.583 -4.496 778 HD1 TYR 101 1HD TYR 101 2.545 6.512 -3.458 779 HD2 TYR 101 2HD TYR 101 -1.283 6.627 -1.515 780 HE1 TYR 101 1HE TYR 101 3.663 6.780 -1.277 781 HE2 TYR 101 2HE TYR 101 -0.157 6.909 0.678 782 HH TYR 101 HH TYR 101 2.761 6.141 1.347 783 H ASN 102 H ASN 102 1.988 7.607 -6.296 784 HA ASN 102 HA ASN 102 3.795 8.924 -4.468 785 1HB ASN 102 2HB ASN 102 5.377 8.233 -5.947 786 2HB ASN 102 1HB ASN 102 4.107 7.623 -6.983 787 1HD2 ASN 102 1HD2 ASN 102 5.234 10.985 -6.196 788 2HD2 ASN 102 2HD2 ASN 102 5.435 11.443 -7.821 789 H GLN 103 H GLN 103 1.455 10.042 -6.863 790 HA GLN 103 HA GLN 103 2.496 12.722 -7.061 791 1HB GLN 103 2HB GLN 103 0.411 13.374 -7.992 792 2HB GLN 103 1HB GLN 103 0.558 11.687 -8.463 793 1HG GLN 103 2HG GLN 103 -1.673 11.900 -7.682 794 2HG GLN 103 1HG GLN 103 -0.818 11.163 -6.341 795 1HE2 GLN 103 1HE2 GLN 103 -0.982 12.123 -4.392 796 2HE2 GLN 103 2HE2 GLN 103 -1.514 13.705 -4.111 797 H LYS 104 H LYS 104 1.059 10.869 -4.639 798 HA LYS 104 HA LYS 104 0.225 13.144 -2.960 799 1HB LYS 104 2HB LYS 104 -0.832 11.543 -1.698 800 2HB LYS 104 1HB LYS 104 -0.520 10.518 -3.077 801 1HG LYS 104 2HG LYS 104 0.417 9.140 -1.516 802 2HG LYS 104 1HG LYS 104 1.805 10.156 -1.714 803 1HD LYS 104 2HD LYS 104 0.497 11.594 0.178 804 2HD LYS 104 1HD LYS 104 -0.085 9.975 0.548 805 1HE LYS 104 2HE LYS 104 1.847 10.122 1.865 806 2HE LYS 104 1HE LYS 104 2.445 9.310 0.420 807 1HZ LYS 104 1HZ LYS 104 3.048 11.551 -0.439 808 2HZ LYS 104 2HZ LYS 104 3.934 11.061 0.926 809 3HZ LYS 104 3HZ LYS 104 2.674 12.190 1.087 810 H TYR 105 H TYR 105 3.059 11.194 -3.500 811 HA TYR 105 HA TYR 105 4.451 12.531 -1.228 812 1HB TYR 105 2HB TYR 105 5.308 10.445 -0.896 813 2HB TYR 105 1HB TYR 105 4.587 9.876 -2.394 814 HD1 TYR 105 1HD TYR 105 5.784 10.588 -4.572 815 HD2 TYR 105 2HD TYR 105 7.662 10.562 -0.727 816 HE1 TYR 105 1HE TYR 105 8.013 10.479 -5.673 817 HE2 TYR 105 2HE TYR 105 9.893 10.460 -1.808 818 HH TYR 105 HH TYR 105 10.445 9.524 -4.788 819 H GLY 106 H GLY 106 3.730 13.138 -4.307 820 1HA GLY 106 2HA GLY 106 6.395 13.957 -5.261 821 2HA GLY 106 1HA GLY 106 4.865 14.206 -6.108 Start of MODEL 4 1 1H ALA 1 1HT ALA 1 15.775 3.871 8.279 2 2H ALA 1 2HT ALA 1 16.868 5.173 8.229 3 3H ALA 1 3HT ALA 1 15.431 5.229 7.322 4 HA ALA 1 HA ALA 1 15.798 5.505 10.236 5 1HB ALA 1 1HB ALA 1 14.600 7.534 9.930 6 2HB ALA 1 2HB ALA 1 13.997 7.034 8.348 7 3HB ALA 1 3HB ALA 1 15.697 7.454 8.552 8 H ASP 2 H ASP 2 13.081 6.345 10.600 9 HA ASP 2 HA ASP 2 11.806 3.699 10.841 10 1HB ASP 2 2HB ASP 2 11.205 6.491 11.784 11 2HB ASP 2 1HB ASP 2 9.931 5.269 11.827 12 H LEU 3 H LEU 3 11.726 6.431 8.757 13 HA LEU 3 HA LEU 3 9.072 5.762 7.658 14 1HB LEU 3 2HB LEU 3 11.082 7.833 6.711 15 2HB LEU 3 1HB LEU 3 9.393 7.719 6.227 16 HG LEU 3 HG LEU 3 10.301 8.152 9.090 17 1HD1 LEU 3 1HD1 LEU 3 9.262 10.188 7.097 18 2HD1 LEU 3 2HD1 LEU 3 10.947 10.036 7.595 19 3HD1 LEU 3 3HD1 LEU 3 9.718 10.501 8.772 20 1HD2 LEU 3 1HD2 LEU 3 8.099 7.275 9.132 21 2HD2 LEU 3 2HD2 LEU 3 7.624 8.153 7.679 22 3HD2 LEU 3 3HD2 LEU 3 7.854 9.017 9.197 23 H GLU 4 H GLU 4 12.461 5.916 6.571 24 HA GLU 4 HA GLU 4 12.013 4.751 3.993 25 1HB GLU 4 2HB GLU 4 14.512 4.423 5.674 26 2HB GLU 4 1HB GLU 4 14.388 4.451 3.915 27 1HG GLU 4 2HG GLU 4 13.584 6.824 4.063 28 2HG GLU 4 1HG GLU 4 13.912 6.777 5.797 29 H ASP 5 H ASP 5 12.137 3.596 7.210 30 HA ASP 5 HA ASP 5 12.723 0.825 6.591 31 1HB ASP 5 2HB ASP 5 13.171 1.390 8.812 32 2HB ASP 5 1HB ASP 5 11.735 2.401 8.937 33 H ASN 6 H ASN 6 9.699 2.603 7.345 34 HA ASN 6 HA ASN 6 7.880 0.485 7.134 35 1HB ASN 6 2HB ASN 6 6.645 2.335 7.690 36 2HB ASN 6 1HB ASN 6 7.787 3.421 6.913 37 1HD2 ASN 6 1HD2 ASN 6 7.649 3.192 4.332 38 2HD2 ASN 6 2HD2 ASN 6 6.071 3.198 3.704 39 H TRP 7 H TRP 7 9.267 2.460 4.510 40 HA TRP 7 HA TRP 7 7.829 1.355 2.343 41 1HB TRP 7 2HB TRP 7 10.591 2.533 2.618 42 2HB TRP 7 1HB TRP 7 10.110 1.814 1.085 43 HD1 TRP 7 HD TRP 7 8.795 4.477 3.575 44 HE1 TRP 7 1HE TRP 7 7.605 6.315 2.218 45 HE3 TRP 7 3HE TRP 7 9.168 2.486 -1.107 46 HZ2 TRP 7 2HZ TRP 7 6.903 6.867 -0.503 47 HZ3 TRP 7 3HZ TRP 7 8.232 3.685 -3.063 48 HH2 TRP 7 HH TRP 7 7.102 5.870 -2.768 49 H GLU 8 H GLU 8 10.920 0.198 3.753 50 HA GLU 8 HA GLU 8 11.271 -1.991 2.038 51 1HB GLU 8 2HB GLU 8 12.844 -1.126 3.848 52 2HB GLU 8 1HB GLU 8 11.842 -2.015 4.997 53 1HG GLU 8 2HG GLU 8 12.206 -4.066 3.705 54 2HG GLU 8 1HG GLU 8 13.289 -3.196 2.626 55 H THR 9 H THR 9 9.063 -1.530 4.748 56 HA THR 9 HA THR 9 8.401 -4.322 5.023 57 HB THR 9 HB THR 9 6.670 -1.947 5.770 58 HG1 THR 9 1HG THR 9 7.734 -2.670 7.885 59 1HG2 THR 9 1HG2 THR 9 5.686 -3.512 7.370 60 2HG2 THR 9 2HG2 THR 9 6.785 -4.783 6.829 61 3HG2 THR 9 3HG2 THR 9 5.546 -4.164 5.737 62 H LEU 10 H LEU 10 6.328 -1.700 3.662 63 HA LEU 10 HA LEU 10 4.560 -3.525 2.397 64 1HB LEU 10 2HB LEU 10 3.839 -1.641 0.977 65 2HB LEU 10 1HB LEU 10 3.951 -1.183 2.672 66 HG LEU 10 HG LEU 10 6.467 -0.534 1.858 67 1HD1 LEU 10 1HD1 LEU 10 4.669 -0.084 -0.542 68 2HD1 LEU 10 2HD1 LEU 10 6.121 -1.084 -0.495 69 3HD1 LEU 10 3HD1 LEU 10 6.251 0.662 -0.330 70 1HD2 LEU 10 1HD2 LEU 10 3.969 1.163 1.656 71 2HD2 LEU 10 2HD2 LEU 10 5.605 1.815 1.610 72 3HD2 LEU 10 3HD2 LEU 10 5.023 0.994 3.060 73 H ASN 11 H ASN 11 7.716 -2.307 1.460 74 HA ASN 11 HA ASN 11 7.532 -3.198 -1.300 75 1HB ASN 11 2HB ASN 11 9.216 -1.500 -0.313 76 2HB ASN 11 1HB ASN 11 10.125 -2.913 0.230 77 1HD2 ASN 11 1HD2 ASN 11 8.488 -1.767 -2.792 78 2HD2 ASN 11 2HD2 ASN 11 9.700 -2.325 -3.842 79 H ASP 12 H ASP 12 9.375 -4.514 1.479 80 HA ASP 12 HA ASP 12 10.085 -6.973 0.264 81 1HB ASP 12 2HB ASP 12 11.168 -6.321 2.311 82 2HB ASP 12 1HB ASP 12 9.633 -6.246 3.175 83 H ASN 13 H ASN 13 7.037 -5.847 1.243 84 HA ASN 13 HA ASN 13 5.782 -8.392 1.868 85 1HB ASN 13 2HB ASN 13 5.034 -5.568 1.565 86 2HB ASN 13 1HB ASN 13 3.829 -6.626 0.898 87 1HD2 ASN 13 1HD2 ASN 13 3.815 -4.856 3.357 88 2HD2 ASN 13 2HD2 ASN 13 3.319 -5.890 4.617 89 H LEU 14 H LEU 14 5.679 -6.167 -0.912 90 HA LEU 14 HA LEU 14 4.178 -7.733 -2.690 91 1HB LEU 14 2HB LEU 14 6.375 -5.717 -3.169 92 2HB LEU 14 1HB LEU 14 5.430 -6.416 -4.483 93 HG LEU 14 HG LEU 14 3.957 -5.227 -2.136 94 1HD1 LEU 14 1HD1 LEU 14 5.168 -3.628 -4.409 95 2HD1 LEU 14 2HD1 LEU 14 5.589 -3.495 -2.701 96 3HD1 LEU 14 3HD1 LEU 14 3.985 -3.016 -3.254 97 1HD2 LEU 14 1HD2 LEU 14 3.414 -5.226 -5.122 98 2HD2 LEU 14 2HD2 LEU 14 2.293 -4.748 -3.848 99 3HD2 LEU 14 3HD2 LEU 14 2.789 -6.431 -3.999 100 H LYS 15 H LYS 15 7.559 -8.026 -1.811 101 HA LYS 15 HA LYS 15 8.278 -9.672 -4.078 102 1HB LYS 15 2HB LYS 15 9.949 -8.514 -2.599 103 2HB LYS 15 1HB LYS 15 9.527 -9.640 -1.313 104 1HG LYS 15 2HG LYS 15 10.055 -11.473 -3.181 105 2HG LYS 15 1HG LYS 15 10.995 -10.160 -3.884 106 1HD LYS 15 2HD LYS 15 12.581 -11.186 -2.512 107 2HD LYS 15 1HD LYS 15 11.974 -9.917 -1.451 108 1HE LYS 15 2HE LYS 15 11.835 -11.760 -0.033 109 2HE LYS 15 1HE LYS 15 10.221 -11.806 -0.747 110 1HZ LYS 15 1HZ LYS 15 12.016 -13.155 -2.436 111 2HZ LYS 15 2HZ LYS 15 10.678 -13.781 -1.597 112 3HZ LYS 15 3HZ LYS 15 12.211 -13.757 -0.864 113 H VAL 16 H VAL 16 7.298 -10.378 -0.729 114 HA VAL 16 HA VAL 16 7.465 -13.195 -0.861 115 HB VAL 16 HB VAL 16 5.505 -11.444 0.657 116 1HG1 VAL 16 1HG1 VAL 16 4.537 -13.626 0.581 117 2HG1 VAL 16 2HG1 VAL 16 5.366 -13.526 2.135 118 3HG1 VAL 16 3HG1 VAL 16 6.107 -14.403 0.796 119 1HG2 VAL 16 1HG2 VAL 16 8.203 -12.665 1.296 120 2HG2 VAL 16 2HG2 VAL 16 7.093 -12.155 2.566 121 3HG2 VAL 16 3HG2 VAL 16 7.720 -10.974 1.421 122 H ILE 17 H ILE 17 5.087 -11.027 -2.249 123 HA ILE 17 HA ILE 17 3.051 -13.040 -2.671 124 HB ILE 17 HB ILE 17 3.373 -10.553 -4.359 125 1HG1 ILE 17 2HG1 ILE 17 2.285 -10.810 -1.540 126 2HG1 ILE 17 1HG1 ILE 17 3.706 -9.905 -2.037 127 1HG2 ILE 17 1HG2 ILE 17 0.942 -11.981 -3.244 128 2HG2 ILE 17 2HG2 ILE 17 1.574 -12.241 -4.866 129 3HG2 ILE 17 3HG2 ILE 17 0.937 -10.661 -4.409 130 1HD1 ILE 17 1HD1 ILE 17 2.034 -8.252 -1.894 131 2HD1 ILE 17 2HD1 ILE 17 0.813 -9.306 -2.606 132 3HD1 ILE 17 3HD1 ILE 17 2.091 -8.630 -3.616 133 H GLU 18 H GLU 18 4.901 -11.361 -5.248 134 HA GLU 18 HA GLU 18 4.457 -13.194 -7.300 135 1HB GLU 18 2HB GLU 18 7.246 -12.103 -7.031 136 2HB GLU 18 1HB GLU 18 6.180 -12.121 -8.439 137 1HG GLU 18 2HG GLU 18 4.710 -10.480 -7.055 138 2HG GLU 18 1HG GLU 18 6.149 -10.257 -6.075 139 H LYS 19 H LYS 19 6.543 -13.473 -4.535 140 HA LYS 19 HA LYS 19 7.627 -16.069 -5.537 141 1HB LYS 19 2HB LYS 19 8.577 -14.006 -3.638 142 2HB LYS 19 1HB LYS 19 8.845 -15.651 -3.089 143 1HG LYS 19 2HG LYS 19 10.786 -14.945 -4.354 144 2HG LYS 19 1HG LYS 19 9.921 -16.151 -5.289 145 1HD LYS 19 2HD LYS 19 10.418 -14.452 -6.865 146 2HD LYS 19 1HD LYS 19 8.729 -14.184 -6.450 147 1HE LYS 19 2HE LYS 19 9.204 -12.279 -5.183 148 2HE LYS 19 1HE LYS 19 10.880 -12.749 -4.907 149 1HZ LYS 19 1HZ LYS 19 9.721 -11.877 -7.495 150 2HZ LYS 19 2HZ LYS 19 11.328 -12.371 -7.253 151 3HZ LYS 19 3HZ LYS 19 10.748 -10.962 -6.502 152 H ALA 20 H ALA 20 4.980 -15.012 -3.836 153 HA ALA 20 HA ALA 20 4.850 -16.776 -1.601 154 1HB ALA 20 1HB ALA 20 2.720 -15.582 -3.378 155 2HB ALA 20 2HB ALA 20 3.100 -15.175 -1.708 156 3HB ALA 20 3HB ALA 20 2.294 -16.695 -2.088 157 H ASP 21 H ASP 21 3.418 -17.205 -4.814 158 HA ASP 21 HA ASP 21 3.132 -19.131 -6.103 159 1HB ASP 21 2HB ASP 21 4.846 -20.715 -4.207 160 2HB ASP 21 1HB ASP 21 4.721 -20.832 -5.958 161 H ASN 22 H ASN 22 2.190 -18.883 -2.848 162 HA ASN 22 HA ASN 22 0.170 -21.007 -3.317 163 1HB ASN 22 2HB ASN 22 1.348 -20.886 -0.553 164 2HB ASN 22 1HB ASN 22 0.501 -22.209 -1.356 165 1HD2 ASN 22 1HD2 ASN 22 3.392 -20.226 -1.994 166 2HD2 ASN 22 2HD2 ASN 22 4.386 -21.536 -2.369 167 H ALA 23 H ALA 23 -1.802 -20.556 -2.378 168 HA ALA 23 HA ALA 23 -2.532 -17.881 -1.872 169 1HB ALA 23 1HB ALA 23 -4.120 -19.707 -2.444 170 2HB ALA 23 2HB ALA 23 -4.642 -18.782 -1.037 171 3HB ALA 23 3HB ALA 23 -3.905 -20.371 -0.826 172 H ALA 24 H ALA 24 -1.259 -20.281 0.357 173 HA ALA 24 HA ALA 24 -2.130 -19.060 2.790 174 1HB ALA 24 1HB ALA 24 0.410 -20.641 2.315 175 2HB ALA 24 2HB ALA 24 -1.177 -21.353 2.604 176 3HB ALA 24 3HB ALA 24 -0.399 -20.391 3.862 177 H GLN 25 H GLN 25 1.019 -18.730 1.102 178 HA GLN 25 HA GLN 25 2.013 -16.764 2.928 179 1HB GLN 25 2HB GLN 25 2.932 -16.994 0.076 180 2HB GLN 25 1HB GLN 25 3.871 -16.620 1.511 181 1HG GLN 25 2HG GLN 25 3.250 -18.988 2.323 182 2HG GLN 25 1HG GLN 25 2.743 -19.291 0.658 183 1HE2 GLN 25 1HE2 GLN 25 4.509 -18.606 -1.033 184 2HE2 GLN 25 2HE2 GLN 25 6.107 -19.025 -0.646 185 H VAL 26 H VAL 26 -0.083 -16.505 0.132 186 HA VAL 26 HA VAL 26 0.429 -13.692 -0.351 187 HB VAL 26 HB VAL 26 -2.072 -15.275 -1.018 188 1HG1 VAL 26 1HG1 VAL 26 -2.025 -12.625 -1.083 189 2HG1 VAL 26 2HG1 VAL 26 -2.709 -13.516 -2.433 190 3HG1 VAL 26 3HG1 VAL 26 -1.076 -12.869 -2.541 191 1HG2 VAL 26 1HG2 VAL 26 0.582 -14.907 -2.421 192 2HG2 VAL 26 2HG2 VAL 26 -0.880 -15.200 -3.357 193 3HG2 VAL 26 3HG2 VAL 26 -0.342 -16.383 -2.179 194 H LYS 27 H LYS 27 -2.168 -15.417 1.499 195 HA LYS 27 HA LYS 27 -3.539 -13.087 2.347 196 1HB LYS 27 2HB LYS 27 -2.895 -15.613 3.881 197 2HB LYS 27 1HB LYS 27 -4.028 -14.399 4.453 198 1HG LYS 27 2HG LYS 27 -5.701 -15.149 3.090 199 2HG LYS 27 1HG LYS 27 -4.635 -15.314 1.703 200 1HD LYS 27 2HD LYS 27 -5.479 -17.529 2.406 201 2HD LYS 27 1HD LYS 27 -3.736 -17.405 2.630 202 1HE LYS 27 2HE LYS 27 -3.877 -17.390 4.924 203 2HE LYS 27 1HE LYS 27 -5.465 -16.624 4.942 204 1HZ LYS 27 1HZ LYS 27 -6.143 -18.687 5.431 205 2HZ LYS 27 2HZ LYS 27 -4.760 -19.430 4.778 206 3HZ LYS 27 3HZ LYS 27 -6.029 -18.942 3.758 207 H ASP 28 H ASP 28 -0.990 -14.929 3.889 208 HA ASP 28 HA ASP 28 -0.356 -13.261 6.045 209 1HB ASP 28 2HB ASP 28 1.615 -14.800 4.327 210 2HB ASP 28 1HB ASP 28 1.829 -14.352 6.018 211 H ALA 29 H ALA 29 0.704 -13.048 2.663 212 HA ALA 29 HA ALA 29 2.589 -10.928 3.123 213 1HB ALA 29 1HB ALA 29 2.519 -12.441 1.093 214 2HB ALA 29 2HB ALA 29 2.711 -10.725 0.741 215 3HB ALA 29 3HB ALA 29 1.139 -11.497 0.529 216 H LEU 30 H LEU 30 -0.571 -10.748 1.417 217 HA LEU 30 HA LEU 30 -0.706 -7.907 1.487 218 1HB LEU 30 2HB LEU 30 -2.988 -9.904 1.430 219 2HB LEU 30 1HB LEU 30 -3.122 -8.193 1.043 220 HG LEU 30 HG LEU 30 -1.408 -10.203 -0.446 221 1HD1 LEU 30 1HD1 LEU 30 -4.003 -10.240 -0.667 222 2HD1 LEU 30 2HD1 LEU 30 -3.049 -10.172 -2.147 223 3HD1 LEU 30 3HD1 LEU 30 -3.806 -8.708 -1.518 224 1HD2 LEU 30 1HD2 LEU 30 -1.433 -8.125 -2.101 225 2HD2 LEU 30 2HD2 LEU 30 -0.275 -8.181 -0.778 226 3HD2 LEU 30 3HD2 LEU 30 -1.739 -7.210 -0.624 227 H THR 31 H THR 31 -1.367 -10.265 3.958 228 HA THR 31 HA THR 31 -3.126 -8.733 5.618 229 HB THR 31 HB THR 31 -0.982 -10.753 6.349 230 HG1 THR 31 1HG THR 31 -3.802 -11.032 6.227 231 1HG2 THR 31 1HG2 THR 31 -2.478 -10.978 8.438 232 2HG2 THR 31 2HG2 THR 31 -3.135 -9.407 7.984 233 3HG2 THR 31 3HG2 THR 31 -1.419 -9.571 8.355 234 H LYS 32 H LYS 32 0.406 -8.985 5.518 235 HA LYS 32 HA LYS 32 0.842 -7.043 7.613 236 1HB LYS 32 2HB LYS 32 2.520 -8.437 5.549 237 2HB LYS 32 1HB LYS 32 3.220 -7.106 6.476 238 1HG LYS 32 2HG LYS 32 2.569 -8.291 8.576 239 2HG LYS 32 1HG LYS 32 1.993 -9.641 7.598 240 1HD LYS 32 2HD LYS 32 4.250 -9.912 6.637 241 2HD LYS 32 1HD LYS 32 4.829 -8.568 7.621 242 1HE LYS 32 2HE LYS 32 3.801 -11.248 8.579 243 2HE LYS 32 1HE LYS 32 5.413 -10.571 8.802 244 1HZ LYS 32 1HZ LYS 32 3.890 -8.663 9.883 245 2HZ LYS 32 2HZ LYS 32 4.578 -9.938 10.770 246 3HZ LYS 32 3HZ LYS 32 2.963 -10.035 10.251 247 H MET 33 H MET 33 0.430 -6.852 4.120 248 HA MET 33 HA MET 33 1.516 -4.202 3.776 249 1HB MET 33 2HB MET 33 -0.672 -5.672 2.286 250 2HB MET 33 1HB MET 33 0.002 -4.127 1.769 251 1HG MET 33 2HG MET 33 2.288 -5.340 1.918 252 2HG MET 33 1HG MET 33 1.333 -6.817 1.864 253 1HE MET 33 1HE MET 33 2.164 -3.520 0.575 254 2HE MET 33 2HE MET 33 0.745 -3.242 -0.426 255 3HE MET 33 3HE MET 33 2.273 -3.685 -1.179 256 H ARG 34 H ARG 34 -1.864 -5.248 3.841 257 HA ARG 34 HA ARG 34 -3.045 -2.728 4.163 258 1HB ARG 34 2HB ARG 34 -4.201 -5.026 3.868 259 2HB ARG 34 1HB ARG 34 -4.064 -5.191 5.616 260 1HG ARG 34 2HG ARG 34 -5.639 -3.535 6.043 261 2HG ARG 34 1HG ARG 34 -5.272 -2.643 4.572 262 1HD ARG 34 2HD ARG 34 -6.382 -4.428 3.238 263 2HD ARG 34 1HD ARG 34 -6.827 -5.243 4.730 264 HE ARG 34 HE ARG 34 -8.089 -2.865 3.647 265 1HH1 ARG 34 1HH2 ARG 34 -7.266 -4.660 6.470 266 2HH1 ARG 34 2HH2 ARG 34 -8.602 -4.068 7.401 267 1HH2 ARG 34 1HH1 ARG 34 -9.864 -2.095 4.845 268 2HH2 ARG 34 2HH1 ARG 34 -10.072 -2.623 6.481 269 H ALA 35 H ALA 35 -1.186 -4.618 6.353 270 HA ALA 35 HA ALA 35 -2.029 -3.232 8.781 271 1HB ALA 35 1HB ALA 35 -0.456 -4.551 9.900 272 2HB ALA 35 2HB ALA 35 0.642 -4.602 8.524 273 3HB ALA 35 3HB ALA 35 -0.834 -5.567 8.511 274 H ALA 36 H ALA 36 1.040 -3.168 6.893 275 HA ALA 36 HA ALA 36 2.048 -0.833 8.216 276 1HB ALA 36 1HB ALA 36 3.713 -0.770 6.494 277 2HB ALA 36 2HB ALA 36 2.672 -1.637 5.364 278 3HB ALA 36 3HB ALA 36 3.354 -2.477 6.758 279 H ALA 37 H ALA 37 -0.126 -1.239 5.482 280 HA ALA 37 HA ALA 37 0.005 1.396 4.424 281 1HB ALA 37 1HB ALA 37 -2.089 0.920 3.383 282 2HB ALA 37 2HB ALA 37 -2.540 -0.228 4.643 283 3HB ALA 37 3HB ALA 37 -1.265 -0.634 3.494 284 H LEU 38 H LEU 38 -1.981 0.034 7.043 285 HA LEU 38 HA LEU 38 -3.402 2.452 7.632 286 1HB LEU 38 2HB LEU 38 -2.699 0.051 9.344 287 2HB LEU 38 1HB LEU 38 -3.759 1.348 9.889 288 HG LEU 38 HG LEU 38 -4.341 -0.011 7.257 289 1HD1 LEU 38 1HD1 LEU 38 -5.073 -1.080 10.002 290 2HD1 LEU 38 2HD1 LEU 38 -4.054 -1.877 8.804 291 3HD1 LEU 38 3HD1 LEU 38 -5.773 -1.646 8.485 292 1HD2 LEU 38 1HD2 LEU 38 -5.672 1.952 7.865 293 2HD2 LEU 38 2HD2 LEU 38 -6.045 1.248 9.439 294 3HD2 LEU 38 3HD2 LEU 38 -6.683 0.512 7.970 295 H ASP 39 H ASP 39 -0.239 1.208 8.616 296 HA ASP 39 HA ASP 39 0.118 3.364 10.592 297 1HB ASP 39 2HB ASP 39 1.112 0.933 10.641 298 2HB ASP 39 1HB ASP 39 2.333 1.590 9.554 299 H ALA 40 H ALA 40 0.778 2.769 7.238 300 HA ALA 40 HA ALA 40 2.921 4.606 6.828 301 1HB ALA 40 1HB ALA 40 2.331 3.039 5.079 302 2HB ALA 40 2HB ALA 40 2.075 4.666 4.450 303 3HB ALA 40 3HB ALA 40 0.697 3.699 4.976 304 H GLN 41 H GLN 41 -0.566 5.105 7.031 305 HA GLN 41 HA GLN 41 -1.019 7.593 5.980 306 1HB GLN 41 2HB GLN 41 -2.624 6.213 7.366 307 2HB GLN 41 1HB GLN 41 -1.828 6.834 8.806 308 1HG GLN 41 2HG GLN 41 -2.817 8.811 6.768 309 2HG GLN 41 1HG GLN 41 -3.992 8.039 7.824 310 1HE2 GLN 41 1HE2 GLN 41 -1.072 10.102 7.839 311 2HE2 GLN 41 2HE2 GLN 41 -1.322 10.728 9.398 312 H LYS 42 H LYS 42 0.035 7.224 9.358 313 HA LYS 42 HA LYS 42 0.699 9.931 9.810 314 1HB LYS 42 2HB LYS 42 2.183 7.600 11.035 315 2HB LYS 42 1HB LYS 42 1.864 9.188 11.743 316 1HG LYS 42 2HG LYS 42 -0.291 7.164 11.063 317 2HG LYS 42 1HG LYS 42 0.394 7.386 12.667 318 1HD LYS 42 2HD LYS 42 -0.267 9.844 12.464 319 2HD LYS 42 1HD LYS 42 -1.201 9.362 11.052 320 1HE LYS 42 2HE LYS 42 -2.373 7.663 12.477 321 2HE LYS 42 1HE LYS 42 -1.542 8.339 13.877 322 1HZ LYS 42 1HZ LYS 42 -2.897 10.089 13.916 323 2HZ LYS 42 2HZ LYS 42 -3.909 9.200 12.881 324 3HZ LYS 42 3HZ LYS 42 -2.810 10.325 12.238 325 H ALA 43 H ALA 43 2.121 7.992 7.520 326 HA ALA 43 HA ALA 43 4.900 8.838 7.965 327 1HB ALA 43 1HB ALA 43 4.145 6.636 6.864 328 2HB ALA 43 2HB ALA 43 5.461 7.515 6.091 329 3HB ALA 43 3HB ALA 43 3.832 7.607 5.425 330 H THR 44 H THR 44 6.038 10.333 6.757 331 HA THR 44 HA THR 44 4.824 11.759 4.525 332 HB THR 44 HB THR 44 5.573 13.524 6.859 333 HG1 THR 44 1HG THR 44 3.541 13.348 7.674 334 1HG2 THR 44 1HG2 THR 44 5.173 14.650 4.765 335 2HG2 THR 44 2HG2 THR 44 3.781 14.943 5.798 336 3HG2 THR 44 3HG2 THR 44 3.674 13.759 4.503 337 HA PRO 45 HA PRO 45 9.406 11.194 4.416 338 1HB PRO 45 2HB PRO 45 9.038 11.762 1.524 339 2HB PRO 45 1HB PRO 45 9.846 10.406 2.312 340 1HG PRO 45 2HG PRO 45 7.410 10.186 1.116 341 2HG PRO 45 1HG PRO 45 7.944 9.163 2.455 342 1HD PRO 45 2HD PRO 45 5.963 11.386 2.479 343 2HD PRO 45 1HD PRO 45 6.087 9.978 3.551 344 HA PRO 46 HA PRO 46 9.904 15.640 2.906 345 1HB PRO 46 2HB PRO 46 7.827 17.104 1.980 346 2HB PRO 46 1HB PRO 46 8.683 15.946 0.942 347 1HG PRO 46 2HG PRO 46 6.030 15.694 2.266 348 2HG PRO 46 1HG PRO 46 6.578 15.065 0.705 349 1HD PRO 46 2HD PRO 46 6.417 13.590 3.104 350 2HD PRO 46 1HD PRO 46 7.284 13.101 1.647 351 H LYS 47 H LYS 47 6.633 16.703 3.571 352 HA LYS 47 HA LYS 47 6.742 16.722 6.419 353 1HB LYS 47 2HB LYS 47 7.011 19.439 6.366 354 2HB LYS 47 1HB LYS 47 8.351 18.351 6.675 355 1HG LYS 47 2HG LYS 47 9.242 18.592 4.529 356 2HG LYS 47 1HG LYS 47 7.687 19.054 3.831 357 1HD LYS 47 2HD LYS 47 7.822 21.209 5.060 358 2HD LYS 47 1HD LYS 47 9.391 20.733 5.699 359 1HE LYS 47 2HE LYS 47 10.267 20.554 3.390 360 2HE LYS 47 1HE LYS 47 8.701 21.075 2.766 361 1HZ LYS 47 1HZ LYS 47 9.289 22.967 4.609 362 2HZ LYS 47 2HZ LYS 47 9.535 23.119 2.934 363 3HZ LYS 47 3HZ LYS 47 10.812 22.629 3.942 364 H LEU 48 H LEU 48 4.624 16.836 6.952 365 HA LEU 48 HA LEU 48 2.684 17.976 5.065 366 1HB LEU 48 2HB LEU 48 2.627 16.174 7.379 367 2HB LEU 48 1HB LEU 48 1.373 17.394 7.532 368 HG LEU 48 HG LEU 48 1.739 15.881 4.938 369 1HD1 LEU 48 1HD1 LEU 48 0.273 15.021 7.437 370 2HD1 LEU 48 2HD1 LEU 48 1.431 14.095 6.479 371 3HD1 LEU 48 3HD1 LEU 48 -0.179 14.426 5.838 372 1HD2 LEU 48 1HD2 LEU 48 -0.512 16.578 4.522 373 2HD2 LEU 48 2HD2 LEU 48 0.300 17.994 5.192 374 3HD2 LEU 48 3HD2 LEU 48 -0.761 17.021 6.211 375 H GLU 49 H GLU 49 0.865 19.340 6.532 376 HA GLU 49 HA GLU 49 0.518 21.531 7.322 377 1HB GLU 49 2HB GLU 49 2.648 20.402 9.142 378 2HB GLU 49 1HB GLU 49 2.104 22.067 9.345 379 1HG GLU 49 2HG GLU 49 0.830 20.516 10.792 380 2HG GLU 49 1HG GLU 49 -0.216 21.292 9.602 381 H ASP 50 H ASP 50 2.668 20.858 5.251 382 HA ASP 50 HA ASP 50 3.802 23.589 5.127 383 1HB ASP 50 2HB ASP 50 5.492 21.066 5.164 384 2HB ASP 50 1HB ASP 50 6.077 22.644 4.619 385 H LYS 51 H LYS 51 3.957 20.399 3.492 386 HA LYS 51 HA LYS 51 4.323 21.572 0.902 387 1HB LYS 51 2HB LYS 51 4.028 19.376 0.040 388 2HB LYS 51 1HB LYS 51 4.837 19.185 1.580 389 1HG LYS 51 2HG LYS 51 3.079 18.051 2.523 390 2HG LYS 51 1HG LYS 51 1.870 19.091 1.797 391 1HD LYS 51 2HD LYS 51 1.569 16.911 0.850 392 2HD LYS 51 1HD LYS 51 2.300 17.907 -0.406 393 1HE LYS 51 2HE LYS 51 3.661 16.026 -0.530 394 2HE LYS 51 1HE LYS 51 4.565 16.965 0.656 395 1HZ LYS 51 1HZ LYS 51 4.341 15.170 1.937 396 2HZ LYS 51 2HZ LYS 51 3.103 14.510 0.982 397 3HZ LYS 51 3HZ LYS 51 2.739 15.669 2.170 398 H SER 52 H SER 52 2.297 20.357 -0.684 399 HA SER 52 HA SER 52 0.161 22.282 -0.286 400 1HB SER 52 2HB SER 52 0.817 20.216 -2.354 401 2HB SER 52 1HB SER 52 -0.810 20.888 -2.307 402 HG SER 52 HG SER 52 -0.019 22.857 -2.753 403 HA PRO 53 HA PRO 53 -2.069 19.076 2.099 404 1HB PRO 53 2HB PRO 53 -3.768 20.645 3.421 405 2HB PRO 53 1HB PRO 53 -2.023 20.775 3.752 406 1HG PRO 53 2HG PRO 53 -3.733 22.484 1.974 407 2HG PRO 53 1HG PRO 53 -2.572 22.986 3.224 408 1HD PRO 53 2HD PRO 53 -1.940 22.861 0.542 409 2HD PRO 53 1HD PRO 53 -0.739 22.650 1.837 410 H ASP 54 H ASP 54 -3.292 21.319 -0.207 411 HA ASP 54 HA ASP 54 -5.006 21.127 -1.756 412 1HB ASP 54 2HB ASP 54 -4.510 18.538 -1.303 413 2HB ASP 54 1HB ASP 54 -6.076 18.607 -0.500 414 H SER 55 H SER 55 -7.520 21.303 -1.686 415 HA SER 55 HA SER 55 -8.206 22.746 0.759 416 1HB SER 55 2HB SER 55 -9.317 23.909 -0.855 417 2HB SER 55 1HB SER 55 -9.256 22.560 -1.980 418 HG SER 55 HG SER 55 -11.391 23.107 -1.309 419 HA PRO 56 HA PRO 56 -11.692 19.085 0.654 420 1HB PRO 56 2HB PRO 56 -9.460 17.138 0.185 421 2HB PRO 56 1HB PRO 56 -11.199 16.935 -0.128 422 1HG PRO 56 2HG PRO 56 -9.598 17.563 -2.113 423 2HG PRO 56 1HG PRO 56 -11.156 18.398 -1.951 424 1HD PRO 56 2HD PRO 56 -8.405 19.425 -1.384 425 2HD PRO 56 1HD PRO 56 -9.839 20.312 -1.947 426 H GLU 57 H GLU 57 -10.816 20.333 2.826 427 HA GLU 57 HA GLU 57 -10.012 20.127 5.056 428 1HB GLU 57 2HB GLU 57 -11.630 17.581 4.724 429 2HB GLU 57 1HB GLU 57 -11.270 18.386 6.251 430 1HG GLU 57 2HG GLU 57 -12.605 20.277 5.692 431 2HG GLU 57 1HG GLU 57 -12.700 19.807 3.995 432 H MET 58 H MET 58 -8.251 18.939 2.992 433 HA MET 58 HA MET 58 -6.303 17.694 2.902 434 1HB MET 58 2HB MET 58 -6.656 17.047 5.825 435 2HB MET 58 1HB MET 58 -5.181 17.190 4.889 436 1HG MET 58 2HG MET 58 -5.054 19.272 5.798 437 2HG MET 58 1HG MET 58 -6.229 19.716 4.555 438 1HE MET 58 1HE MET 58 -5.740 21.333 6.956 439 2HE MET 58 2HE MET 58 -5.465 20.110 8.195 440 3HE MET 58 3HE MET 58 -6.836 21.208 8.338 441 H LYS 59 H LYS 59 -9.298 16.532 3.766 442 HA LYS 59 HA LYS 59 -9.054 13.814 4.321 443 1HB LYS 59 2HB LYS 59 -11.157 15.278 4.014 444 2HB LYS 59 1HB LYS 59 -10.987 14.967 2.281 445 1HG LYS 59 2HG LYS 59 -10.934 12.560 4.085 446 2HG LYS 59 1HG LYS 59 -12.478 13.388 3.943 447 1HD LYS 59 2HD LYS 59 -12.678 12.942 1.659 448 2HD LYS 59 1HD LYS 59 -10.943 12.748 1.436 449 1HE LYS 59 2HE LYS 59 -12.772 10.819 2.899 450 2HE LYS 59 1HE LYS 59 -12.055 10.562 1.311 451 1HZ LYS 59 1HZ LYS 59 -9.888 11.119 2.725 452 2HZ LYS 59 2HZ LYS 59 -10.482 9.541 2.523 453 3HZ LYS 59 3HZ LYS 59 -10.833 10.410 3.942 454 H ASP 60 H ASP 60 -8.838 15.504 1.232 455 HA ASP 60 HA ASP 60 -8.689 13.271 -0.477 456 1HB ASP 60 2HB ASP 60 -8.965 15.409 -1.442 457 2HB ASP 60 1HB ASP 60 -7.551 16.067 -0.624 458 H PHE 61 H PHE 61 -6.312 14.620 1.709 459 HA PHE 61 HA PHE 61 -4.036 13.190 0.578 460 1HB PHE 61 2HB PHE 61 -4.154 15.271 2.229 461 2HB PHE 61 1HB PHE 61 -4.222 14.031 3.475 462 HD1 PHE 61 1HD PHE 61 -2.224 13.087 4.273 463 HD2 PHE 61 2HD PHE 61 -2.245 15.046 0.451 464 HE1 PHE 61 1HE PHE 61 0.248 12.852 4.139 465 HE2 PHE 61 2HE PHE 61 0.219 14.803 0.312 466 HZ PHE 61 HZ PHE 61 1.465 13.712 2.159 467 H ARG 62 H ARG 62 -6.085 12.802 3.440 468 HA ARG 62 HA ARG 62 -5.154 10.221 4.218 469 1HB ARG 62 2HB ARG 62 -7.820 11.594 4.686 470 2HB ARG 62 1HB ARG 62 -7.257 10.182 5.567 471 1HG ARG 62 2HG ARG 62 -6.098 11.508 7.010 472 2HG ARG 62 1HG ARG 62 -5.148 12.155 5.675 473 1HD ARG 62 2HD ARG 62 -6.911 13.831 5.238 474 2HD ARG 62 1HD ARG 62 -7.850 13.178 6.571 475 HE ARG 62 HE ARG 62 -5.167 13.955 7.381 476 1HH1 ARG 62 1HH2 ARG 62 -8.393 14.988 6.731 477 2HH1 ARG 62 2HH2 ARG 62 -8.316 16.341 7.809 478 1HH2 ARG 62 1HH1 ARG 62 -5.054 15.714 8.795 479 2HH2 ARG 62 2HH1 ARG 62 -6.429 16.751 8.976 480 H HIS 63 H HIS 63 -7.619 11.272 1.919 481 HA HIS 63 HA HIS 63 -8.932 8.741 1.520 482 1HB HIS 63 2HB HIS 63 -9.400 11.227 0.591 483 2HB HIS 63 1HB HIS 63 -8.521 10.619 -0.801 484 HD1 HIS 63 1HD HIS 63 -10.570 8.194 1.142 485 HD2 HIS 63 2HD HIS 63 -11.029 10.565 -2.253 486 HE1 HIS 63 1HE HIS 63 -12.643 7.374 -0.016 487 H GLY 64 H GLY 64 -5.988 10.161 0.114 488 1HA GLY 64 2HA GLY 64 -5.629 8.084 -1.825 489 2HA GLY 64 1HA GLY 64 -4.337 9.107 -1.193 490 H PHE 65 H PHE 65 -4.924 8.334 1.614 491 HA PHE 65 HA PHE 65 -3.405 5.802 1.619 492 1HB PHE 65 2HB PHE 65 -4.359 7.662 3.807 493 2HB PHE 65 1HB PHE 65 -3.577 6.117 4.150 494 HD1 PHE 65 1HD PHE 65 -3.033 9.552 3.427 495 HD2 PHE 65 2HD PHE 65 -1.309 5.661 2.923 496 HE1 PHE 65 1HE PHE 65 -0.816 10.582 3.043 497 HE2 PHE 65 2HE PHE 65 0.910 6.694 2.524 498 HZ PHE 65 HZ PHE 65 1.151 9.164 2.571 499 H ASP 66 H ASP 66 -6.618 6.997 2.519 500 HA ASP 66 HA ASP 66 -7.558 4.460 3.546 501 1HB ASP 66 2HB ASP 66 -8.578 6.845 3.861 502 2HB ASP 66 1HB ASP 66 -9.344 6.562 2.298 503 H ILE 67 H ILE 67 -7.841 6.157 0.424 504 HA ILE 67 HA ILE 67 -9.346 4.197 -0.954 505 HB ILE 67 HB ILE 67 -7.198 6.103 -1.946 506 1HG1 ILE 67 2HG1 ILE 67 -9.504 6.908 -0.964 507 2HG1 ILE 67 1HG1 ILE 67 -8.937 7.584 -2.485 508 1HG2 ILE 67 1HG2 ILE 67 -8.341 5.647 -4.215 509 2HG2 ILE 67 2HG2 ILE 67 -8.968 4.182 -3.459 510 3HG2 ILE 67 3HG2 ILE 67 -7.228 4.425 -3.602 511 1HD1 ILE 67 1HD1 ILE 67 -11.368 6.896 -2.496 512 2HD1 ILE 67 2HD1 ILE 67 -10.845 5.225 -2.334 513 3HD1 ILE 67 3HD1 ILE 67 -10.407 6.153 -3.766 514 H LEU 68 H LEU 68 -5.868 4.452 -0.347 515 HA LEU 68 HA LEU 68 -4.979 2.332 -1.986 516 1HB LEU 68 2HB LEU 68 -3.667 4.071 -0.504 517 2HB LEU 68 1HB LEU 68 -3.772 2.839 0.736 518 HG LEU 68 HG LEU 68 -1.708 2.419 -0.277 519 1HD1 LEU 68 1HD1 LEU 68 -3.133 0.365 -0.204 520 2HD1 LEU 68 2HD1 LEU 68 -1.862 0.321 -1.418 521 3HD1 LEU 68 3HD1 LEU 68 -3.519 0.626 -1.904 522 1HD2 LEU 68 1HD2 LEU 68 -1.293 2.468 -2.680 523 2HD2 LEU 68 2HD2 LEU 68 -2.005 3.990 -2.153 524 3HD2 LEU 68 3HD2 LEU 68 -2.994 2.796 -2.987 525 H VAL 69 H VAL 69 -5.983 2.292 1.417 526 HA VAL 69 HA VAL 69 -5.597 -0.454 1.904 527 HB VAL 69 HB VAL 69 -7.510 1.570 3.084 528 1HG1 VAL 69 1HG1 VAL 69 -6.992 -1.290 3.815 529 2HG1 VAL 69 2HG1 VAL 69 -8.537 -0.491 3.558 530 3HG1 VAL 69 3HG1 VAL 69 -7.588 -0.132 5.000 531 1HG2 VAL 69 1HG2 VAL 69 -5.907 1.635 4.918 532 2HG2 VAL 69 2HG2 VAL 69 -5.034 1.906 3.411 533 3HG2 VAL 69 3HG2 VAL 69 -4.974 0.329 4.193 534 H GLY 70 H GLY 70 -7.964 1.180 0.007 535 1HA GLY 70 2HA GLY 70 -10.024 -0.858 0.288 536 2HA GLY 70 1HA GLY 70 -10.017 0.446 -0.891 537 H GLN 71 H GLN 71 -7.562 -0.116 -2.246 538 HA GLN 71 HA GLN 71 -8.490 -2.352 -3.865 539 1HB GLN 71 2HB GLN 71 -6.832 -1.774 -5.398 540 2HB GLN 71 1HB GLN 71 -7.094 -0.240 -4.590 541 1HG GLN 71 2HG GLN 71 -4.756 -0.464 -4.642 542 2HG GLN 71 1HG GLN 71 -5.181 -0.950 -3.014 543 1HE2 GLN 71 1HE2 GLN 71 -6.245 -3.394 -5.071 544 2HE2 GLN 71 2HE2 GLN 71 -4.896 -4.414 -4.982 545 H ILE 72 H ILE 72 -6.227 -1.898 -1.268 546 HA ILE 72 HA ILE 72 -5.040 -4.546 -1.521 547 HB ILE 72 HB ILE 72 -5.100 -2.526 0.764 548 1HG1 ILE 72 2HG1 ILE 72 -3.078 -3.304 -1.365 549 2HG1 ILE 72 1HG1 ILE 72 -3.807 -1.724 -1.094 550 1HG2 ILE 72 1HG2 ILE 72 -3.424 -3.925 1.876 551 2HG2 ILE 72 2HG2 ILE 72 -3.416 -5.059 0.526 552 3HG2 ILE 72 3HG2 ILE 72 -4.831 -4.927 1.562 553 1HD1 ILE 72 1HD1 ILE 72 -1.583 -1.620 -0.197 554 2HD1 ILE 72 2HD1 ILE 72 -1.789 -3.144 0.657 555 3HD1 ILE 72 3HD1 ILE 72 -2.677 -1.714 1.182 556 H ASP 73 H ASP 73 -7.833 -3.089 0.065 557 HA ASP 73 HA ASP 73 -8.403 -5.242 1.865 558 1HB ASP 73 2HB ASP 73 -9.520 -3.125 2.142 559 2HB ASP 73 1HB ASP 73 -10.242 -3.237 0.533 560 H ASP 74 H ASP 74 -9.891 -4.566 -1.332 561 HA ASP 74 HA ASP 74 -11.303 -7.049 -1.472 562 1HB ASP 74 2HB ASP 74 -11.847 -5.136 -2.924 563 2HB ASP 74 1HB ASP 74 -10.284 -5.289 -3.726 564 H ALA 75 H ALA 75 -7.960 -6.209 -2.253 565 HA ALA 75 HA ALA 75 -7.493 -8.672 -3.720 566 1HB ALA 75 1HB ALA 75 -5.484 -6.845 -2.358 567 2HB ALA 75 2HB ALA 75 -6.064 -6.638 -4.011 568 3HB ALA 75 3HB ALA 75 -5.122 -8.064 -3.579 569 H LEU 76 H LEU 76 -7.402 -7.658 -0.362 570 HA LEU 76 HA LEU 76 -5.884 -9.772 0.727 571 1HB LEU 76 2HB LEU 76 -7.373 -7.617 1.694 572 2HB LEU 76 1HB LEU 76 -8.324 -8.983 2.243 573 HG LEU 76 HG LEU 76 -5.868 -9.860 2.983 574 1HD1 LEU 76 1HD1 LEU 76 -5.558 -6.952 3.661 575 2HD1 LEU 76 2HD1 LEU 76 -5.059 -7.489 2.062 576 3HD1 LEU 76 3HD1 LEU 76 -4.327 -8.206 3.495 577 1HD2 LEU 76 1HD2 LEU 76 -7.628 -7.929 4.520 578 2HD2 LEU 76 2HD2 LEU 76 -6.355 -8.906 5.250 579 3HD2 LEU 76 3HD2 LEU 76 -7.753 -9.689 4.510 580 H LYS 77 H LYS 77 -9.132 -9.486 -0.469 581 HA LYS 77 HA LYS 77 -10.169 -11.999 0.409 582 1HB LYS 77 2HB LYS 77 -11.403 -9.899 -0.466 583 2HB LYS 77 1HB LYS 77 -10.999 -10.494 -2.078 584 1HG LYS 77 2HG LYS 77 -13.092 -11.468 -1.715 585 2HG LYS 77 1HG LYS 77 -11.979 -12.745 -1.228 586 1HD LYS 77 2HD LYS 77 -12.263 -11.357 1.150 587 2HD LYS 77 1HD LYS 77 -13.852 -11.135 0.433 588 1HE LYS 77 2HE LYS 77 -13.893 -13.662 0.056 589 2HE LYS 77 1HE LYS 77 -12.450 -13.746 1.076 590 1HZ LYS 77 1HZ LYS 77 -15.059 -13.695 1.927 591 2HZ LYS 77 2HZ LYS 77 -14.481 -12.132 2.253 592 3HZ LYS 77 3HZ LYS 77 -13.678 -13.486 2.890 593 H LEU 78 H LEU 78 -8.622 -10.909 -2.604 594 HA LEU 78 HA LEU 78 -9.017 -13.299 -4.074 595 1HB LEU 78 2HB LEU 78 -7.187 -10.938 -4.223 596 2HB LEU 78 1HB LEU 78 -6.650 -12.374 -5.110 597 HG LEU 78 HG LEU 78 -8.835 -12.465 -6.271 598 1HD1 LEU 78 1HD1 LEU 78 -10.269 -10.348 -6.047 599 2HD1 LEU 78 2HD1 LEU 78 -9.362 -10.016 -4.573 600 3HD1 LEU 78 3HD1 LEU 78 -10.337 -11.480 -4.698 601 1HD2 LEU 78 1HD2 LEU 78 -6.815 -11.045 -7.048 602 2HD2 LEU 78 2HD2 LEU 78 -7.736 -9.651 -6.494 603 3HD2 LEU 78 3HD2 LEU 78 -8.379 -10.678 -7.776 604 H ALA 79 H ALA 79 -6.515 -12.382 -1.761 605 HA ALA 79 HA ALA 79 -4.820 -14.662 -2.152 606 1HB ALA 79 1HB ALA 79 -4.328 -12.532 -0.819 607 2HB ALA 79 2HB ALA 79 -3.806 -14.042 -0.081 608 3HB ALA 79 3HB ALA 79 -5.272 -13.246 0.483 609 H ASN 80 H ASN 80 -7.413 -14.046 0.235 610 HA ASN 80 HA ASN 80 -7.293 -16.736 1.271 611 1HB ASN 80 2HB ASN 80 -8.273 -14.442 2.280 612 2HB ASN 80 1HB ASN 80 -9.777 -15.113 1.652 613 1HD2 ASN 80 1HD2 ASN 80 -6.877 -16.390 3.373 614 2HD2 ASN 80 2HD2 ASN 80 -7.748 -17.346 4.440 615 H GLU 81 H GLU 81 -8.650 -15.507 -1.596 616 HA GLU 81 HA GLU 81 -10.765 -17.603 -1.692 617 1HB GLU 81 2HB GLU 81 -10.048 -15.284 -3.487 618 2HB GLU 81 1HB GLU 81 -11.209 -16.518 -3.967 619 1HG GLU 81 2HG GLU 81 -11.433 -15.017 -1.353 620 2HG GLU 81 1HG GLU 81 -12.187 -14.439 -2.840 621 H GLY 82 H GLY 82 -7.503 -17.206 -2.521 622 1HA GLY 82 2HA GLY 82 -6.170 -19.033 -3.352 623 2HA GLY 82 1HA GLY 82 -7.598 -19.705 -4.128 624 H LYS 83 H LYS 83 -7.256 -16.324 -4.626 625 HA LYS 83 HA LYS 83 -6.420 -16.858 -7.443 626 1HB LYS 83 2HB LYS 83 -7.223 -14.130 -6.468 627 2HB LYS 83 1HB LYS 83 -7.430 -14.851 -8.056 628 1HG LYS 83 2HG LYS 83 -8.975 -15.485 -5.554 629 2HG LYS 83 1HG LYS 83 -9.583 -14.743 -7.022 630 1HD LYS 83 2HD LYS 83 -8.696 -16.973 -8.159 631 2HD LYS 83 1HD LYS 83 -8.848 -17.616 -6.523 632 1HE LYS 83 2HE LYS 83 -10.924 -18.020 -7.725 633 2HE LYS 83 1HE LYS 83 -11.215 -16.809 -6.475 634 1HZ LYS 83 1HZ LYS 83 -11.991 -15.523 -8.092 635 2HZ LYS 83 2HZ LYS 83 -11.431 -16.570 -9.307 636 3HZ LYS 83 3HZ LYS 83 -10.400 -15.381 -8.665 637 H VAL 84 H VAL 84 -4.256 -17.296 -6.681 638 HA VAL 84 HA VAL 84 -2.620 -15.226 -5.480 639 HB VAL 84 HB VAL 84 -1.902 -17.834 -6.853 640 1HG1 VAL 84 1HG1 VAL 84 0.298 -17.414 -5.529 641 2HG1 VAL 84 2HG1 VAL 84 -0.208 -15.725 -5.519 642 3HG1 VAL 84 3HG1 VAL 84 0.062 -16.554 -7.049 643 1HG2 VAL 84 1HG2 VAL 84 -2.262 -16.970 -3.982 644 2HG2 VAL 84 2HG2 VAL 84 -1.365 -18.424 -4.416 645 3HG2 VAL 84 3HG2 VAL 84 -3.074 -18.284 -4.831 646 H LYS 85 H LYS 85 -2.734 -16.657 -8.768 647 HA LYS 85 HA LYS 85 -0.837 -14.927 -9.942 648 1HB LYS 85 2HB LYS 85 -3.383 -15.946 -11.254 649 2HB LYS 85 1HB LYS 85 -1.929 -15.395 -12.081 650 1HG LYS 85 2HG LYS 85 -1.302 -17.598 -12.077 651 2HG LYS 85 1HG LYS 85 -0.898 -17.341 -10.384 652 1HD LYS 85 2HD LYS 85 -3.238 -18.026 -9.781 653 2HD LYS 85 1HD LYS 85 -3.523 -18.402 -11.478 654 1HE LYS 85 2HE LYS 85 -1.649 -20.018 -11.428 655 2HE LYS 85 1HE LYS 85 -1.393 -19.661 -9.721 656 1HZ LYS 85 1HZ LYS 85 -2.734 -21.638 -9.985 657 2HZ LYS 85 2HZ LYS 85 -3.869 -20.786 -10.920 658 3HZ LYS 85 3HZ LYS 85 -3.660 -20.404 -9.277 659 H GLU 86 H GLU 86 -4.257 -14.447 -9.215 660 HA GLU 86 HA GLU 86 -4.445 -11.856 -10.495 661 1HB GLU 86 2HB GLU 86 -6.135 -12.961 -8.215 662 2HB GLU 86 1HB GLU 86 -6.544 -11.611 -9.278 663 1HG GLU 86 2HG GLU 86 -6.334 -13.228 -11.239 664 2HG GLU 86 1HG GLU 86 -6.306 -14.528 -10.053 665 H ALA 87 H ALA 87 -3.815 -13.023 -7.191 666 HA ALA 87 HA ALA 87 -3.630 -10.412 -6.009 667 1HB ALA 87 1HB ALA 87 -3.842 -12.622 -4.771 668 2HB ALA 87 2HB ALA 87 -2.634 -11.516 -4.118 669 3HB ALA 87 3HB ALA 87 -2.131 -12.884 -5.111 670 H GLN 88 H GLN 88 -1.088 -12.657 -7.080 671 HA GLN 88 HA GLN 88 1.097 -10.895 -6.702 672 1HB GLN 88 2HB GLN 88 2.164 -12.818 -7.275 673 2HB GLN 88 1HB GLN 88 0.623 -13.542 -7.616 674 1HG GLN 88 2HG GLN 88 0.754 -12.899 -9.943 675 2HG GLN 88 1HG GLN 88 2.198 -11.947 -9.631 676 1HE2 GLN 88 1HE2 GLN 88 1.270 -15.301 -8.669 677 2HE2 GLN 88 2HE2 GLN 88 2.679 -16.007 -9.269 678 H ALA 89 H ALA 89 -0.931 -11.516 -9.562 679 HA ALA 89 HA ALA 89 0.380 -9.707 -11.324 680 1HB ALA 89 1HB ALA 89 -1.307 -11.253 -12.166 681 2HB ALA 89 2HB ALA 89 -1.841 -9.605 -12.502 682 3HB ALA 89 3HB ALA 89 -2.546 -10.505 -11.158 683 H ALA 90 H ALA 90 -2.159 -9.200 -8.882 684 HA ALA 90 HA ALA 90 -2.595 -6.415 -9.492 685 1HB ALA 90 1HB ALA 90 -3.045 -8.124 -7.038 686 2HB ALA 90 2HB ALA 90 -4.247 -7.397 -8.104 687 3HB ALA 90 3HB ALA 90 -3.326 -6.384 -6.992 688 H ALA 91 H ALA 91 -0.183 -8.196 -7.667 689 HA ALA 91 HA ALA 91 0.981 -6.187 -6.091 690 1HB ALA 91 1HB ALA 91 2.722 -8.018 -7.739 691 2HB ALA 91 2HB ALA 91 1.716 -8.667 -6.445 692 3HB ALA 91 3HB ALA 91 2.952 -7.468 -6.081 693 H GLU 92 H GLU 92 1.558 -6.876 -9.554 694 HA GLU 92 HA GLU 92 3.339 -4.664 -9.952 695 1HB GLU 92 2HB GLU 92 1.670 -6.417 -11.731 696 2HB GLU 92 1HB GLU 92 2.278 -4.909 -12.415 697 1HG GLU 92 2HG GLU 92 4.530 -5.536 -12.129 698 2HG GLU 92 1HG GLU 92 4.136 -6.774 -10.937 699 H GLN 93 H GLN 93 -0.150 -4.942 -9.682 700 HA GLN 93 HA GLN 93 -0.703 -2.301 -10.773 701 1HB GLN 93 2HB GLN 93 -2.392 -4.239 -10.470 702 2HB GLN 93 1HB GLN 93 -2.425 -3.804 -8.768 703 1HG GLN 93 2HG GLN 93 -2.837 -1.518 -10.635 704 2HG GLN 93 1HG GLN 93 -4.105 -2.735 -10.651 705 1HE2 GLN 93 1HE2 GLN 93 -2.181 -1.823 -7.750 706 2HE2 GLN 93 2HE2 GLN 93 -3.500 -1.185 -6.889 707 H LEU 94 H LEU 94 0.005 -3.705 -7.617 708 HA LEU 94 HA LEU 94 -0.458 -1.329 -6.071 709 1HB LEU 94 2HB LEU 94 1.089 -3.869 -5.650 710 2HB LEU 94 1HB LEU 94 1.349 -2.532 -4.538 711 HG LEU 94 HG LEU 94 -1.159 -2.454 -4.184 712 1HD1 LEU 94 1HD1 LEU 94 -1.951 -3.588 -6.160 713 2HD1 LEU 94 2HD1 LEU 94 -2.351 -4.614 -4.781 714 3HD1 LEU 94 3HD1 LEU 94 -0.973 -5.004 -5.793 715 1HD2 LEU 94 1HD2 LEU 94 -1.153 -4.219 -2.578 716 2HD2 LEU 94 2HD2 LEU 94 0.519 -3.679 -2.698 717 3HD2 LEU 94 3HD2 LEU 94 0.013 -5.158 -3.508 718 H LYS 95 H LYS 95 2.458 -2.752 -7.533 719 HA LYS 95 HA LYS 95 4.353 -0.796 -6.808 720 1HB LYS 95 2HB LYS 95 4.095 -2.343 -9.414 721 2HB LYS 95 1HB LYS 95 5.548 -1.487 -8.883 722 1HG LYS 95 2HG LYS 95 5.136 -2.996 -6.671 723 2HG LYS 95 1HG LYS 95 4.353 -4.037 -7.854 724 1HD LYS 95 2HD LYS 95 6.639 -4.735 -7.731 725 2HD LYS 95 1HD LYS 95 6.449 -3.881 -9.260 726 1HE LYS 95 2HE LYS 95 8.002 -2.324 -8.643 727 2HE LYS 95 1HE LYS 95 7.187 -2.024 -7.105 728 1HZ LYS 95 1HZ LYS 95 9.574 -3.179 -7.317 729 2HZ LYS 95 2HZ LYS 95 8.584 -4.560 -7.318 730 3HZ LYS 95 3HZ LYS 95 8.509 -3.459 -6.027 731 H THR 96 H THR 96 2.207 -0.864 -9.669 732 HA THR 96 HA THR 96 3.056 1.721 -10.651 733 HB THR 96 HB THR 96 0.440 0.277 -11.174 734 HG1 THR 96 1HG THR 96 1.519 -0.721 -12.814 735 1HG2 THR 96 1HG2 THR 96 1.930 2.518 -12.543 736 2HG2 THR 96 2HG2 THR 96 0.251 2.486 -12.005 737 3HG2 THR 96 3HG2 THR 96 0.746 1.533 -13.404 738 H THR 97 H THR 97 0.500 0.647 -8.457 739 HA THR 97 HA THR 97 -0.991 3.062 -8.350 740 HB THR 97 HB THR 97 -0.459 0.898 -6.329 741 HG1 THR 97 1HG THR 97 -1.924 0.150 -7.657 742 1HG2 THR 97 1HG2 THR 97 -2.044 3.430 -6.000 743 2HG2 THR 97 2HG2 THR 97 -0.809 2.763 -4.930 744 3HG2 THR 97 3HG2 THR 97 -2.388 1.980 -5.057 745 H ILE 98 H ILE 98 1.805 1.965 -6.412 746 HA ILE 98 HA ILE 98 2.155 4.162 -4.727 747 HB ILE 98 HB ILE 98 4.239 2.585 -6.229 748 1HG1 ILE 98 2HG1 ILE 98 2.423 1.404 -4.708 749 2HG1 ILE 98 1HG1 ILE 98 4.107 0.933 -4.584 750 1HG2 ILE 98 1HG2 ILE 98 5.322 4.489 -5.294 751 2HG2 ILE 98 2HG2 ILE 98 5.643 3.167 -4.172 752 3HG2 ILE 98 3HG2 ILE 98 4.406 4.363 -3.791 753 1HD1 ILE 98 1HD1 ILE 98 2.909 3.063 -2.804 754 2HD1 ILE 98 2HD1 ILE 98 4.413 2.173 -2.571 755 3HD1 ILE 98 3HD1 ILE 98 2.863 1.351 -2.381 756 H ARG 99 H ARG 99 2.911 3.776 -8.153 757 HA ARG 99 HA ARG 99 4.493 6.090 -8.489 758 1HB ARG 99 2HB ARG 99 3.797 4.251 -10.218 759 2HB ARG 99 1HB ARG 99 2.398 5.277 -10.513 760 1HG ARG 99 2HG ARG 99 3.670 6.512 -11.946 761 2HG ARG 99 1HG ARG 99 4.633 7.049 -10.574 762 1HD ARG 99 2HD ARG 99 5.145 4.698 -12.406 763 2HD ARG 99 1HD ARG 99 6.182 6.095 -12.115 764 HE ARG 99 HE ARG 99 5.733 4.616 -9.677 765 1HH1 ARG 99 1HH2 ARG 99 7.410 4.658 -12.684 766 2HH1 ARG 99 2HH2 ARG 99 8.736 3.702 -12.112 767 1HH2 ARG 99 1HH1 ARG 99 7.450 3.362 -8.908 768 2HH2 ARG 99 2HH1 ARG 99 8.763 2.971 -9.970 769 H ALA 100 H ALA 100 0.976 5.655 -8.438 770 HA ALA 100 HA ALA 100 0.283 8.397 -8.964 771 1HB ALA 100 1HB ALA 100 -1.357 6.503 -7.274 772 2HB ALA 100 2HB ALA 100 -1.241 6.321 -9.024 773 3HB ALA 100 3HB ALA 100 -1.925 7.793 -8.334 774 H TYR 101 H TYR 101 1.279 6.696 -6.056 775 HA TYR 101 HA TYR 101 0.359 8.702 -4.205 776 1HB TYR 101 2HB TYR 101 0.883 6.742 -3.071 777 2HB TYR 101 1HB TYR 101 2.260 6.402 -4.077 778 HD1 TYR 101 1HD TYR 101 4.427 7.448 -3.698 779 HD2 TYR 101 2HD TYR 101 1.095 8.174 -1.097 780 HE1 TYR 101 1HE TYR 101 5.963 8.416 -2.003 781 HE2 TYR 101 2HE TYR 101 2.624 9.148 0.599 782 HH TYR 101 HH TYR 101 4.944 10.264 0.565 783 H ASN 102 H ASN 102 3.286 8.245 -6.121 784 HA ASN 102 HA ASN 102 4.793 10.328 -4.889 785 1HB ASN 102 2HB ASN 102 6.236 9.197 -6.227 786 2HB ASN 102 1HB ASN 102 4.987 8.764 -7.392 787 1HD2 ASN 102 1HD2 ASN 102 5.730 12.143 -6.458 788 2HD2 ASN 102 2HD2 ASN 102 6.357 12.593 -7.967 789 H GLN 103 H GLN 103 2.244 10.388 -7.337 790 HA GLN 103 HA GLN 103 2.638 13.135 -8.072 791 1HB GLN 103 2HB GLN 103 1.163 12.011 -9.520 792 2HB GLN 103 1HB GLN 103 0.345 11.176 -8.207 793 1HG GLN 103 2HG GLN 103 0.174 14.160 -8.392 794 2HG GLN 103 1HG GLN 103 -0.856 13.179 -9.431 795 1HE2 GLN 103 1HE2 GLN 103 -0.182 11.535 -6.509 796 2HE2 GLN 103 2HE2 GLN 103 -1.606 11.931 -5.674 797 H LYS 104 H LYS 104 1.437 11.416 -5.362 798 HA LYS 104 HA LYS 104 0.135 13.753 -4.127 799 1HB LYS 104 2HB LYS 104 -0.975 12.128 -3.005 800 2HB LYS 104 1HB LYS 104 0.018 10.917 -3.773 801 1HG LYS 104 2HG LYS 104 1.637 11.017 -1.980 802 2HG LYS 104 1HG LYS 104 0.822 12.395 -1.265 803 1HD LYS 104 2HD LYS 104 -0.533 9.731 -1.668 804 2HD LYS 104 1HD LYS 104 0.323 10.169 -0.200 805 1HE LYS 104 2HE LYS 104 -1.229 12.298 -0.247 806 2HE LYS 104 1HE LYS 104 -2.238 11.294 -1.287 807 1HZ LYS 104 1HZ LYS 104 -1.510 9.667 0.795 808 2HZ LYS 104 2HZ LYS 104 -3.027 10.392 0.553 809 3HZ LYS 104 3HZ LYS 104 -1.864 11.157 1.525 810 H TYR 105 H TYR 105 3.225 12.011 -3.975 811 HA TYR 105 HA TYR 105 4.126 13.771 -1.789 812 1HB TYR 105 2HB TYR 105 5.316 11.929 -1.222 813 2HB TYR 105 1HB TYR 105 4.888 11.151 -2.733 814 HD1 TYR 105 1HD TYR 105 6.158 12.177 -4.837 815 HD2 TYR 105 2HD TYR 105 7.602 12.275 -0.811 816 HE1 TYR 105 1HE TYR 105 8.486 12.419 -5.687 817 HE2 TYR 105 2HE TYR 105 9.926 12.528 -1.642 818 HH TYR 105 HH TYR 105 10.614 12.730 -5.136 819 H GLY 106 H GLY 106 3.661 14.218 -4.925 820 1HA GLY 106 2HA GLY 106 5.663 16.363 -5.045 821 2HA GLY 106 1HA GLY 106 5.892 15.089 -6.244 Start of MODEL 5 1 1H ALA 1 1HT ALA 1 15.098 3.826 10.859 2 2H ALA 1 2HT ALA 1 15.969 5.276 10.705 3 3H ALA 1 3HT ALA 1 15.362 4.496 9.323 4 HA ALA 1 HA ALA 1 13.892 5.991 11.399 5 1HB ALA 1 1HB ALA 1 12.837 6.926 9.269 6 2HB ALA 1 2HB ALA 1 14.089 6.058 8.381 7 3HB ALA 1 3HB ALA 1 14.537 7.324 9.523 8 H ASP 2 H ASP 2 11.550 5.788 11.340 9 HA ASP 2 HA ASP 2 10.676 3.005 10.915 10 1HB ASP 2 2HB ASP 2 9.513 5.493 12.133 11 2HB ASP 2 1HB ASP 2 8.445 4.142 11.751 12 H LEU 3 H LEU 3 10.622 5.972 9.236 13 HA LEU 3 HA LEU 3 8.231 5.310 7.649 14 1HB LEU 3 2HB LEU 3 10.207 7.587 7.293 15 2HB LEU 3 1HB LEU 3 8.620 7.450 6.538 16 HG LEU 3 HG LEU 3 9.150 7.664 9.518 17 1HD1 LEU 3 1HD1 LEU 3 8.058 9.872 9.267 18 2HD1 LEU 3 2HD1 LEU 3 7.962 9.617 7.526 19 3HD1 LEU 3 3HD1 LEU 3 9.535 9.764 8.309 20 1HD2 LEU 3 1HD2 LEU 3 6.556 8.071 9.419 21 2HD2 LEU 3 2HD2 LEU 3 7.158 6.418 9.366 22 3HD2 LEU 3 3HD2 LEU 3 6.653 7.217 7.877 23 H GLU 4 H GLU 4 11.707 5.836 7.030 24 HA GLU 4 HA GLU 4 11.616 4.936 4.305 25 1HB GLU 4 2HB GLU 4 13.978 4.707 6.189 26 2HB GLU 4 1HB GLU 4 14.012 4.871 4.434 27 1HG GLU 4 2HG GLU 4 12.997 6.966 6.373 28 2HG GLU 4 1HG GLU 4 14.533 7.025 5.505 29 H ASP 5 H ASP 5 11.689 3.444 7.408 30 HA ASP 5 HA ASP 5 12.581 0.838 6.494 31 1HB ASP 5 2HB ASP 5 12.880 1.292 8.792 32 2HB ASP 5 1HB ASP 5 11.249 1.940 8.953 33 H ASN 6 H ASN 6 9.414 2.334 7.148 34 HA ASN 6 HA ASN 6 7.805 0.057 6.659 35 1HB ASN 6 2HB ASN 6 6.462 1.738 7.495 36 2HB ASN 6 1HB ASN 6 7.430 3.003 6.750 37 1HD2 ASN 6 1HD2 ASN 6 7.206 2.916 4.179 38 2HD2 ASN 6 2HD2 ASN 6 5.615 2.787 3.603 39 H TRP 7 H TRP 7 9.172 2.473 4.441 40 HA TRP 7 HA TRP 7 7.873 1.698 2.066 41 1HB TRP 7 2HB TRP 7 10.625 2.804 2.638 42 2HB TRP 7 1HB TRP 7 10.209 2.332 0.995 43 HD1 TRP 7 HD TRP 7 8.159 4.264 3.679 44 HE1 TRP 7 1HE TRP 7 7.302 6.441 2.612 45 HE3 TRP 7 3HE TRP 7 10.260 3.847 -0.948 46 HZ2 TRP 7 2HZ TRP 7 7.492 7.830 0.124 47 HZ3 TRP 7 3HZ TRP 7 9.909 5.613 -2.648 48 HH2 TRP 7 HH TRP 7 8.527 7.603 -2.121 49 H GLU 8 H GLU 8 10.969 0.388 3.353 50 HA GLU 8 HA GLU 8 11.224 -1.619 1.374 51 1HB GLU 8 2HB GLU 8 12.966 -0.929 3.098 52 2HB GLU 8 1HB GLU 8 12.054 -1.879 4.271 53 1HG GLU 8 2HG GLU 8 12.225 -3.807 2.617 54 2HG GLU 8 1HG GLU 8 13.444 -2.853 1.776 55 H THR 9 H THR 9 9.285 -1.410 4.300 56 HA THR 9 HA THR 9 8.594 -4.203 4.399 57 HB THR 9 HB THR 9 6.847 -1.938 5.391 58 HG1 THR 9 1HG THR 9 8.933 -1.600 6.154 59 1HG2 THR 9 1HG2 THR 9 6.207 -3.589 7.088 60 2HG2 THR 9 2HG2 THR 9 7.327 -4.758 6.390 61 3HG2 THR 9 3HG2 THR 9 5.919 -4.228 5.469 62 H LEU 10 H LEU 10 6.791 -1.367 3.174 63 HA LEU 10 HA LEU 10 4.674 -2.874 2.000 64 1HB LEU 10 2HB LEU 10 5.838 -0.334 0.828 65 2HB LEU 10 1HB LEU 10 4.196 -0.934 0.647 66 HG LEU 10 HG LEU 10 5.490 0.308 3.081 67 1HD1 LEU 10 1HD1 LEU 10 3.560 1.771 2.985 68 2HD1 LEU 10 2HD1 LEU 10 2.828 0.786 1.718 69 3HD1 LEU 10 3HD1 LEU 10 4.294 1.706 1.381 70 1HD2 LEU 10 1HD2 LEU 10 3.316 -0.314 4.258 71 2HD2 LEU 10 2HD2 LEU 10 4.441 -1.648 3.994 72 3HD2 LEU 10 3HD2 LEU 10 3.035 -1.461 2.947 73 H ASN 11 H ASN 11 7.898 -1.970 0.891 74 HA ASN 11 HA ASN 11 7.561 -3.026 -1.783 75 1HB ASN 11 2HB ASN 11 9.387 -1.394 -0.890 76 2HB ASN 11 1HB ASN 11 10.236 -2.857 -0.387 77 1HD2 ASN 11 1HD2 ASN 11 8.481 -1.675 -3.337 78 2HD2 ASN 11 2HD2 ASN 11 9.605 -2.313 -4.438 79 H ASP 12 H ASP 12 9.456 -4.334 0.966 80 HA ASP 12 HA ASP 12 9.951 -6.879 -0.153 81 1HB ASP 12 2HB ASP 12 11.146 -6.249 1.824 82 2HB ASP 12 1HB ASP 12 9.654 -5.965 2.719 83 H ASN 13 H ASN 13 6.990 -5.532 0.893 84 HA ASN 13 HA ASN 13 5.671 -8.011 1.618 85 1HB ASN 13 2HB ASN 13 4.993 -5.159 1.344 86 2HB ASN 13 1HB ASN 13 3.725 -6.197 0.738 87 1HD2 ASN 13 1HD2 ASN 13 3.892 -4.453 3.230 88 2HD2 ASN 13 2HD2 ASN 13 3.469 -5.495 4.509 89 H LEU 14 H LEU 14 5.518 -5.840 -1.216 90 HA LEU 14 HA LEU 14 3.906 -7.451 -2.859 91 1HB LEU 14 2HB LEU 14 6.120 -5.516 -3.553 92 2HB LEU 14 1HB LEU 14 5.028 -6.209 -4.754 93 HG LEU 14 HG LEU 14 3.827 -4.911 -2.313 94 1HD1 LEU 14 1HD1 LEU 14 3.792 -2.740 -3.589 95 2HD1 LEU 14 2HD1 LEU 14 4.996 -3.430 -4.675 96 3HD1 LEU 14 3HD1 LEU 14 5.378 -3.202 -2.970 97 1HD2 LEU 14 1HD2 LEU 14 1.990 -4.517 -3.763 98 2HD2 LEU 14 2HD2 LEU 14 2.540 -6.140 -4.169 99 3HD2 LEU 14 3HD2 LEU 14 2.962 -4.781 -5.208 100 H LYS 15 H LYS 15 7.241 -7.865 -1.977 101 HA LYS 15 HA LYS 15 7.968 -9.534 -4.225 102 1HB LYS 15 2HB LYS 15 9.633 -8.456 -2.695 103 2HB LYS 15 1HB LYS 15 9.108 -9.550 -1.419 104 1HG LYS 15 2HG LYS 15 9.630 -11.346 -3.464 105 2HG LYS 15 1HG LYS 15 10.824 -10.096 -3.794 106 1HD LYS 15 2HD LYS 15 11.878 -10.375 -1.686 107 2HD LYS 15 1HD LYS 15 10.504 -11.250 -1.011 108 1HE LYS 15 2HE LYS 15 12.311 -12.809 -1.554 109 2HE LYS 15 1HE LYS 15 10.909 -13.099 -2.583 110 1HZ LYS 15 1HZ LYS 15 13.523 -12.001 -3.268 111 2HZ LYS 15 2HZ LYS 15 12.177 -11.367 -4.090 112 3HZ LYS 15 3HZ LYS 15 12.516 -13.032 -4.159 113 H VAL 16 H VAL 16 7.189 -10.394 -0.820 114 HA VAL 16 HA VAL 16 7.133 -13.171 -1.222 115 HB VAL 16 HB VAL 16 5.467 -13.289 0.661 116 1HG1 VAL 16 1HG1 VAL 16 7.033 -12.449 2.331 117 2HG1 VAL 16 2HG1 VAL 16 7.851 -11.478 1.108 118 3HG1 VAL 16 3HG1 VAL 16 7.908 -13.239 1.019 119 1HG2 VAL 16 1HG2 VAL 16 4.498 -10.971 -0.048 120 2HG2 VAL 16 2HG2 VAL 16 5.797 -10.305 0.941 121 3HG2 VAL 16 3HG2 VAL 16 4.593 -11.363 1.665 122 H ILE 17 H ILE 17 4.792 -10.816 -2.352 123 HA ILE 17 HA ILE 17 2.627 -12.718 -2.673 124 HB ILE 17 HB ILE 17 3.062 -10.259 -4.385 125 1HG1 ILE 17 2HG1 ILE 17 1.974 -10.493 -1.572 126 2HG1 ILE 17 1HG1 ILE 17 3.375 -9.577 -2.104 127 1HG2 ILE 17 1HG2 ILE 17 1.190 -11.995 -4.811 128 2HG2 ILE 17 2HG2 ILE 17 0.709 -10.304 -4.669 129 3HG2 ILE 17 3HG2 ILE 17 0.483 -11.402 -3.309 130 1HD1 ILE 17 1HD1 ILE 17 1.619 -7.973 -1.899 131 2HD1 ILE 17 2HD1 ILE 17 0.465 -9.036 -2.705 132 3HD1 ILE 17 3HD1 ILE 17 1.766 -8.286 -3.628 133 H GLU 18 H GLU 18 4.341 -11.113 -5.363 134 HA GLU 18 HA GLU 18 3.735 -12.989 -7.341 135 1HB GLU 18 2HB GLU 18 6.527 -11.906 -7.420 136 2HB GLU 18 1HB GLU 18 5.270 -11.871 -8.660 137 1HG GLU 18 2HG GLU 18 4.057 -10.224 -7.033 138 2HG GLU 18 1HG GLU 18 5.642 -10.047 -6.296 139 H LYS 19 H LYS 19 6.045 -13.191 -4.762 140 HA LYS 19 HA LYS 19 7.055 -15.808 -5.800 141 1HB LYS 19 2HB LYS 19 8.192 -13.642 -4.135 142 2HB LYS 19 1HB LYS 19 8.545 -15.254 -3.534 143 1HG LYS 19 2HG LYS 19 10.317 -14.597 -5.053 144 2HG LYS 19 1HG LYS 19 9.369 -15.866 -5.811 145 1HD LYS 19 2HD LYS 19 9.540 -14.339 -7.569 146 2HD LYS 19 1HD LYS 19 8.008 -13.851 -6.853 147 1HE LYS 19 2HE LYS 19 9.496 -11.914 -7.320 148 2HE LYS 19 1HE LYS 19 9.124 -12.069 -5.607 149 1HZ LYS 19 1HZ LYS 19 11.583 -11.775 -6.508 150 2HZ LYS 19 2HZ LYS 19 11.489 -13.469 -6.574 151 3HZ LYS 19 3HZ LYS 19 11.232 -12.658 -5.104 152 H ALA 20 H ALA 20 4.535 -14.796 -3.976 153 HA ALA 20 HA ALA 20 4.694 -16.317 -1.571 154 1HB ALA 20 1HB ALA 20 2.389 -15.423 -3.301 155 2HB ALA 20 2HB ALA 20 2.766 -14.954 -1.647 156 3HB ALA 20 3HB ALA 20 2.083 -16.541 -1.981 157 H ASP 21 H ASP 21 3.813 -17.137 -4.856 158 HA ASP 21 HA ASP 21 3.648 -19.164 -5.976 159 1HB ASP 21 2HB ASP 21 5.619 -19.637 -3.834 160 2HB ASP 21 1HB ASP 21 4.787 -21.108 -4.310 161 H ASN 22 H ASN 22 2.343 -18.799 -2.797 162 HA ASN 22 HA ASN 22 0.220 -20.734 -3.522 163 1HB ASN 22 2HB ASN 22 1.268 -20.891 -0.703 164 2HB ASN 22 1HB ASN 22 0.371 -22.091 -1.637 165 1HD2 ASN 22 1HD2 ASN 22 3.409 -20.261 -2.088 166 2HD2 ASN 22 2HD2 ASN 22 4.328 -21.607 -2.533 167 H ALA 23 H ALA 23 -1.771 -20.208 -2.633 168 HA ALA 23 HA ALA 23 -2.291 -17.512 -1.956 169 1HB ALA 23 1HB ALA 23 -4.125 -19.653 -0.914 170 2HB ALA 23 2HB ALA 23 -3.883 -19.536 -2.656 171 3HB ALA 23 3HB ALA 23 -4.516 -18.156 -1.761 172 H ALA 24 H ALA 24 -0.994 -20.013 0.002 173 HA ALA 24 HA ALA 24 -1.976 -19.160 2.565 174 1HB ALA 24 1HB ALA 24 0.469 -20.709 1.705 175 2HB ALA 24 2HB ALA 24 -1.000 -21.327 2.460 176 3HB ALA 24 3HB ALA 24 0.131 -20.354 3.400 177 H GLN 25 H GLN 25 1.174 -18.595 0.997 178 HA GLN 25 HA GLN 25 2.062 -16.685 2.924 179 1HB GLN 25 2HB GLN 25 3.072 -16.743 0.093 180 2HB GLN 25 1HB GLN 25 3.962 -16.493 1.588 181 1HG GLN 25 2HG GLN 25 3.165 -18.960 2.135 182 2HG GLN 25 1HG GLN 25 2.957 -19.065 0.383 183 1HE2 GLN 25 1HE2 GLN 25 4.961 -18.374 -0.919 184 2HE2 GLN 25 2HE2 GLN 25 6.483 -18.778 -0.284 185 H VAL 26 H VAL 26 -0.072 -16.411 0.213 186 HA VAL 26 HA VAL 26 0.400 -13.594 -0.298 187 HB VAL 26 HB VAL 26 -2.132 -15.173 -0.853 188 1HG1 VAL 26 1HG1 VAL 26 -1.164 -12.742 -2.367 189 2HG1 VAL 26 2HG1 VAL 26 -2.108 -12.540 -0.901 190 3HG1 VAL 26 3HG1 VAL 26 -2.791 -13.405 -2.270 191 1HG2 VAL 26 1HG2 VAL 26 -1.180 -15.290 -3.181 192 2HG2 VAL 26 2HG2 VAL 26 -0.258 -16.209 -2.004 193 3HG2 VAL 26 3HG2 VAL 26 0.328 -14.644 -2.544 194 H LYS 27 H LYS 27 -2.064 -15.356 1.682 195 HA LYS 27 HA LYS 27 -3.433 -13.052 2.606 196 1HB LYS 27 2HB LYS 27 -2.656 -15.531 4.153 197 2HB LYS 27 1HB LYS 27 -3.846 -14.362 4.699 198 1HG LYS 27 2HG LYS 27 -5.491 -15.293 3.414 199 2HG LYS 27 1HG LYS 27 -4.463 -15.334 1.989 200 1HD LYS 27 2HD LYS 27 -5.078 -17.620 2.613 201 2HD LYS 27 1HD LYS 27 -3.353 -17.365 2.866 202 1HE LYS 27 2HE LYS 27 -3.564 -17.289 5.194 203 2HE LYS 27 1HE LYS 27 -5.286 -16.917 5.128 204 1HZ LYS 27 1HZ LYS 27 -5.766 -19.116 4.438 205 2HZ LYS 27 2HZ LYS 27 -4.721 -19.244 5.771 206 3HZ LYS 27 3HZ LYS 27 -4.127 -19.481 4.197 207 H ASP 28 H ASP 28 -0.809 -14.867 4.056 208 HA ASP 28 HA ASP 28 -0.103 -13.184 6.169 209 1HB ASP 28 2HB ASP 28 1.750 -14.780 4.370 210 2HB ASP 28 1HB ASP 28 2.127 -14.235 6.001 211 H ALA 29 H ALA 29 0.710 -12.931 2.737 212 HA ALA 29 HA ALA 29 2.691 -10.882 3.072 213 1HB ALA 29 1HB ALA 29 2.541 -12.222 1.011 214 2HB ALA 29 2HB ALA 29 2.397 -10.498 0.667 215 3HB ALA 29 3HB ALA 29 0.962 -11.514 0.668 216 H LEU 30 H LEU 30 -0.495 -10.524 1.511 217 HA LEU 30 HA LEU 30 -0.584 -7.709 1.740 218 1HB LEU 30 2HB LEU 30 -2.824 -9.740 1.606 219 2HB LEU 30 1HB LEU 30 -3.074 -8.006 1.444 220 HG LEU 30 HG LEU 30 -1.281 -9.683 -0.337 221 1HD1 LEU 30 1HD1 LEU 30 -3.068 -9.183 -2.046 222 2HD1 LEU 30 2HD1 LEU 30 -4.066 -8.555 -0.734 223 3HD1 LEU 30 3HD1 LEU 30 -3.591 -10.252 -0.745 224 1HD2 LEU 30 1HD2 LEU 30 -1.653 -7.443 -1.753 225 2HD2 LEU 30 2HD2 LEU 30 -0.373 -7.548 -0.552 226 3HD2 LEU 30 3HD2 LEU 30 -1.889 -6.741 -0.151 227 H THR 31 H THR 31 -1.060 -10.135 4.142 228 HA THR 31 HA THR 31 -2.710 -8.662 5.982 229 HB THR 31 HB THR 31 -0.543 -10.737 6.455 230 HG1 THR 31 1HG THR 31 -2.097 -12.132 6.148 231 1HG2 THR 31 1HG2 THR 31 -2.548 -9.456 8.322 232 2HG2 THR 31 2HG2 THR 31 -0.800 -9.584 8.520 233 3HG2 THR 31 3HG2 THR 31 -1.812 -11.021 8.666 234 H LYS 32 H LYS 32 0.762 -8.881 5.424 235 HA LYS 32 HA LYS 32 1.487 -7.116 7.596 236 1HB LYS 32 2HB LYS 32 2.854 -8.435 5.285 237 2HB LYS 32 1HB LYS 32 3.692 -7.096 6.078 238 1HG LYS 32 2HG LYS 32 3.646 -8.232 8.199 239 2HG LYS 32 1HG LYS 32 2.547 -9.467 7.581 240 1HD LYS 32 2HD LYS 32 4.238 -10.391 6.159 241 2HD LYS 32 1HD LYS 32 5.309 -9.016 6.429 242 1HE LYS 32 2HE LYS 32 5.823 -9.683 8.623 243 2HE LYS 32 1HE LYS 32 4.396 -10.713 8.749 244 1HZ LYS 32 1HZ LYS 32 5.420 -12.102 6.959 245 2HZ LYS 32 2HZ LYS 32 6.245 -12.124 8.444 246 3HZ LYS 32 3HZ LYS 32 6.844 -11.200 7.149 247 H MET 33 H MET 33 0.724 -6.680 4.170 248 HA MET 33 HA MET 33 1.701 -3.969 3.929 249 1HB MET 33 2HB MET 33 -0.481 -5.500 2.500 250 2HB MET 33 1HB MET 33 -0.037 -3.852 2.057 251 1HG MET 33 2HG MET 33 2.353 -4.703 1.832 252 2HG MET 33 1HG MET 33 1.676 -6.329 1.924 253 1HE MET 33 1HE MET 33 2.907 -3.720 -0.296 254 2HE MET 33 2HE MET 33 1.433 -2.869 0.160 255 3HE MET 33 3HE MET 33 1.668 -3.377 -1.511 256 H ARG 34 H ARG 34 -1.645 -5.068 3.966 257 HA ARG 34 HA ARG 34 -2.924 -2.687 4.572 258 1HB ARG 34 2HB ARG 34 -3.932 -5.022 4.145 259 2HB ARG 34 1HB ARG 34 -3.726 -5.310 5.865 260 1HG ARG 34 2HG ARG 34 -5.460 -3.912 6.462 261 2HG ARG 34 1HG ARG 34 -5.103 -2.744 5.204 262 1HD ARG 34 2HD ARG 34 -6.036 -4.596 3.578 263 2HD ARG 34 1HD ARG 34 -6.775 -5.239 5.037 264 HE ARG 34 HE ARG 34 -7.512 -2.769 3.669 265 1HH1 ARG 34 1HH2 ARG 34 -7.483 -4.588 6.594 266 2HH1 ARG 34 2HH2 ARG 34 -8.893 -3.822 7.246 267 1HH2 ARG 34 1HH1 ARG 34 -9.380 -1.761 4.505 268 2HH2 ARG 34 2HH1 ARG 34 -9.958 -2.221 6.070 269 H ALA 35 H ALA 35 -1.060 -4.753 6.667 270 HA ALA 35 HA ALA 35 -1.898 -3.478 9.151 271 1HB ALA 35 1HB ALA 35 -1.016 -5.693 9.331 272 2HB ALA 35 2HB ALA 35 0.178 -4.622 10.066 273 3HB ALA 35 3HB ALA 35 0.439 -5.250 8.441 274 H ALA 36 H ALA 36 1.326 -3.438 7.527 275 HA ALA 36 HA ALA 36 2.221 -1.155 9.002 276 1HB ALA 36 1HB ALA 36 3.978 -0.978 7.260 277 2HB ALA 36 2HB ALA 36 3.092 -2.130 6.260 278 3HB ALA 36 3HB ALA 36 3.779 -2.645 7.801 279 H ALA 37 H ALA 37 0.390 -1.457 6.005 280 HA ALA 37 HA ALA 37 0.635 1.247 5.132 281 1HB ALA 37 1HB ALA 37 -0.361 -0.265 3.597 282 2HB ALA 37 2HB ALA 37 -1.687 0.780 4.107 283 3HB ALA 37 3HB ALA 37 -1.525 -0.835 4.794 284 H LEU 38 H LEU 38 -1.519 -0.312 7.479 285 HA LEU 38 HA LEU 38 -3.154 2.001 7.953 286 1HB LEU 38 2HB LEU 38 -2.609 -0.570 9.412 287 2HB LEU 38 1HB LEU 38 -3.363 0.731 10.328 288 HG LEU 38 HG LEU 38 -4.478 -0.044 7.632 289 1HD1 LEU 38 1HD1 LEU 38 -4.431 -2.166 8.771 290 2HD1 LEU 38 2HD1 LEU 38 -6.071 -1.546 8.939 291 3HD1 LEU 38 3HD1 LEU 38 -4.942 -1.430 10.288 292 1HD2 LEU 38 1HD2 LEU 38 -5.199 2.022 9.026 293 2HD2 LEU 38 2HD2 LEU 38 -5.922 0.865 10.137 294 3HD2 LEU 38 3HD2 LEU 38 -6.481 0.950 8.468 295 H ASP 39 H ASP 39 0.036 1.036 9.030 296 HA ASP 39 HA ASP 39 0.087 3.035 11.192 297 1HB ASP 39 2HB ASP 39 1.350 0.873 11.330 298 2HB ASP 39 1HB ASP 39 2.379 1.438 10.012 299 H ALA 40 H ALA 40 1.357 2.722 7.889 300 HA ALA 40 HA ALA 40 3.023 5.029 7.926 301 1HB ALA 40 1HB ALA 40 1.578 3.550 5.733 302 2HB ALA 40 2HB ALA 40 3.309 3.709 6.010 303 3HB ALA 40 3HB ALA 40 2.395 5.072 5.373 304 H GLN 41 H GLN 41 -0.188 4.904 6.361 305 HA GLN 41 HA GLN 41 -1.323 6.977 5.698 306 1HB GLN 41 2HB GLN 41 -2.444 5.414 7.465 307 2HB GLN 41 1HB GLN 41 -2.092 6.705 8.604 308 1HG GLN 41 2HG GLN 41 -3.764 6.886 6.100 309 2HG GLN 41 1HG GLN 41 -4.317 7.094 7.754 310 1HE2 GLN 41 1HE2 GLN 41 -3.130 8.977 8.947 311 2HE2 GLN 41 2HE2 GLN 41 -2.788 10.374 8.053 312 H LYS 42 H LYS 42 -0.706 7.629 9.093 313 HA LYS 42 HA LYS 42 -0.471 10.427 8.869 314 1HB LYS 42 2HB LYS 42 1.134 8.920 10.935 315 2HB LYS 42 1HB LYS 42 0.245 10.437 11.097 316 1HG LYS 42 2HG LYS 42 -1.142 7.773 10.682 317 2HG LYS 42 1HG LYS 42 -0.769 8.422 12.268 318 1HD LYS 42 2HD LYS 42 -2.166 10.306 11.960 319 2HD LYS 42 1HD LYS 42 -2.292 10.023 10.231 320 1HE LYS 42 2HE LYS 42 -3.482 7.876 10.704 321 2HE LYS 42 1HE LYS 42 -3.444 8.280 12.420 322 1HZ LYS 42 1HZ LYS 42 -5.405 9.234 11.954 323 2HZ LYS 42 2HZ LYS 42 -5.076 9.378 10.292 324 3HZ LYS 42 3HZ LYS 42 -4.455 10.519 11.387 325 H ALA 43 H ALA 43 1.476 8.529 7.150 326 HA ALA 43 HA ALA 43 4.105 9.448 7.947 327 1HB ALA 43 1HB ALA 43 4.891 8.339 5.959 328 2HB ALA 43 2HB ALA 43 3.274 8.343 5.255 329 3HB ALA 43 3HB ALA 43 3.623 7.330 6.655 330 H THR 44 H THR 44 5.395 11.016 6.931 331 HA THR 44 HA THR 44 4.271 12.673 4.770 332 HB THR 44 HB THR 44 4.938 14.728 6.427 333 HG1 THR 44 1HG THR 44 3.863 12.706 8.098 334 1HG2 THR 44 1HG2 THR 44 2.767 14.410 5.232 335 2HG2 THR 44 2HG2 THR 44 2.564 15.035 6.869 336 3HG2 THR 44 3HG2 THR 44 2.244 13.337 6.532 337 HA PRO 45 HA PRO 45 8.854 11.781 4.713 338 1HB PRO 45 2HB PRO 45 8.252 12.139 1.805 339 2HB PRO 45 1HB PRO 45 9.236 10.911 2.613 340 1HG PRO 45 2HG PRO 45 6.773 10.362 1.697 341 2HG PRO 45 1HG PRO 45 7.428 9.612 3.158 342 1HD PRO 45 2HD PRO 45 5.341 11.731 2.924 343 2HD PRO 45 1HD PRO 45 5.562 10.500 4.181 344 HA PRO 46 HA PRO 46 9.470 16.066 2.870 345 1HB PRO 46 2HB PRO 46 7.489 17.479 1.718 346 2HB PRO 46 1HB PRO 46 8.271 16.130 0.871 347 1HG PRO 46 2HG PRO 46 5.585 16.271 2.113 348 2HG PRO 46 1HG PRO 46 6.154 15.277 0.762 349 1HD PRO 46 2HD PRO 46 5.874 14.485 3.512 350 2HD PRO 46 1HD PRO 46 6.510 13.519 2.181 351 H LYS 47 H LYS 47 6.315 17.464 3.263 352 HA LYS 47 HA LYS 47 6.322 17.862 6.088 353 1HB LYS 47 2HB LYS 47 6.940 20.429 5.847 354 2HB LYS 47 1HB LYS 47 8.209 19.231 6.049 355 1HG LYS 47 2HG LYS 47 8.844 19.306 3.794 356 2HG LYS 47 1HG LYS 47 7.287 19.949 3.276 357 1HD LYS 47 2HD LYS 47 9.073 21.672 3.206 358 2HD LYS 47 1HD LYS 47 7.803 22.097 4.351 359 1HE LYS 47 2HE LYS 47 10.252 20.589 5.264 360 2HE LYS 47 1HE LYS 47 10.277 22.343 5.111 361 1HZ LYS 47 1HZ LYS 47 8.782 20.664 6.976 362 2HZ LYS 47 2HZ LYS 47 8.043 22.100 6.448 363 3HZ LYS 47 3HZ LYS 47 9.548 22.154 7.237 364 H LEU 48 H LEU 48 4.089 17.795 6.064 365 HA LEU 48 HA LEU 48 2.582 19.454 4.148 366 1HB LEU 48 2HB LEU 48 2.019 17.169 5.860 367 2HB LEU 48 1HB LEU 48 0.845 18.435 6.201 368 HG LEU 48 HG LEU 48 1.474 17.602 3.358 369 1HD1 LEU 48 1HD1 LEU 48 0.761 15.549 4.315 370 2HD1 LEU 48 2HD1 LEU 48 -0.697 16.240 3.602 371 3HD1 LEU 48 3HD1 LEU 48 -0.428 16.348 5.343 372 1HD2 LEU 48 1HD2 LEU 48 0.257 19.740 3.791 373 2HD2 LEU 48 2HD2 LEU 48 -0.977 18.831 4.664 374 3HD2 LEU 48 3HD2 LEU 48 -0.742 18.562 2.938 375 H GLU 49 H GLU 49 0.602 20.645 5.566 376 HA GLU 49 HA GLU 49 0.243 22.628 6.784 377 1HB GLU 49 2HB GLU 49 2.180 21.282 8.698 378 2HB GLU 49 1HB GLU 49 1.057 22.581 9.104 379 1HG GLU 49 2HG GLU 49 0.139 19.937 7.959 380 2HG GLU 49 1HG GLU 49 0.281 20.221 9.693 381 H ASP 50 H ASP 50 2.638 22.252 4.964 382 HA ASP 50 HA ASP 50 4.005 24.786 5.698 383 1HB ASP 50 2HB ASP 50 5.377 22.130 5.185 384 2HB ASP 50 1HB ASP 50 6.201 23.676 4.968 385 H LYS 51 H LYS 51 4.166 22.176 3.260 386 HA LYS 51 HA LYS 51 4.607 24.029 1.103 387 1HB LYS 51 2HB LYS 51 4.288 22.113 -0.340 388 2HB LYS 51 1HB LYS 51 5.219 21.605 1.050 389 1HG LYS 51 2HG LYS 51 3.459 20.389 1.995 390 2HG LYS 51 1HG LYS 51 2.222 21.297 1.153 391 1HD LYS 51 2HD LYS 51 2.169 19.308 -0.046 392 2HD LYS 51 1HD LYS 51 3.315 20.222 -1.018 393 1HE LYS 51 2HE LYS 51 4.273 18.047 -0.651 394 2HE LYS 51 1HE LYS 51 5.165 19.176 0.371 395 1HZ LYS 51 1HZ LYS 51 3.608 16.935 1.128 396 2HZ LYS 51 2HZ LYS 51 2.998 18.341 1.861 397 3HZ LYS 51 3HZ LYS 51 4.624 17.900 2.082 398 H SER 52 H SER 52 2.403 22.800 -0.624 399 HA SER 52 HA SER 52 0.381 24.783 0.024 400 1HB SER 52 2HB SER 52 0.958 24.142 -2.326 401 2HB SER 52 1HB SER 52 0.283 22.545 -2.020 402 HG SER 52 HG SER 52 -0.982 25.036 -2.233 403 HA PRO 53 HA PRO 53 -1.810 21.771 2.607 404 1HB PRO 53 2HB PRO 53 -3.904 23.256 3.362 405 2HB PRO 53 1HB PRO 53 -2.260 23.718 3.866 406 1HG PRO 53 2HG PRO 53 -3.867 24.742 1.542 407 2HG PRO 53 1HG PRO 53 -3.045 25.672 2.821 408 1HD PRO 53 2HD PRO 53 -1.892 25.238 0.393 409 2HD PRO 53 1HD PRO 53 -0.927 25.324 1.886 410 H ASP 54 H ASP 54 -2.923 23.108 -0.322 411 HA ASP 54 HA ASP 54 -4.428 22.340 -1.912 412 1HB ASP 54 2HB ASP 54 -5.091 19.969 -0.175 413 2HB ASP 54 1HB ASP 54 -5.041 20.074 -1.933 414 H SER 55 H SER 55 -6.764 20.594 -0.476 415 HA SER 55 HA SER 55 -8.103 22.634 1.061 416 1HB SER 55 2HB SER 55 -8.260 23.612 -1.220 417 2HB SER 55 1HB SER 55 -9.138 22.181 -1.749 418 HG SER 55 HG SER 55 -10.056 24.347 -0.485 419 HA PRO 56 HA PRO 56 -10.994 18.715 0.078 420 1HB PRO 56 2HB PRO 56 -8.677 16.814 0.238 421 2HB PRO 56 1HB PRO 56 -10.194 16.659 -0.674 422 1HG PRO 56 2HG PRO 56 -8.009 17.322 -1.953 423 2HG PRO 56 1HG PRO 56 -9.502 18.224 -2.288 424 1HD PRO 56 2HD PRO 56 -7.173 19.022 -0.558 425 2HD PRO 56 1HD PRO 56 -8.057 20.006 -1.753 426 H GLU 57 H GLU 57 -10.186 20.142 2.410 427 HA GLU 57 HA GLU 57 -9.981 19.912 4.751 428 1HB GLU 57 2HB GLU 57 -11.579 17.410 4.103 429 2HB GLU 57 1HB GLU 57 -11.444 18.151 5.697 430 1HG GLU 57 2HG GLU 57 -12.614 20.109 4.994 431 2HG GLU 57 1HG GLU 57 -12.473 19.667 3.292 432 H MET 58 H MET 58 -7.967 18.693 2.967 433 HA MET 58 HA MET 58 -6.042 17.431 3.140 434 1HB MET 58 2HB MET 58 -6.893 17.003 6.022 435 2HB MET 58 1HB MET 58 -5.312 16.723 5.332 436 1HG MET 58 2HG MET 58 -4.794 18.956 5.188 437 2HG MET 58 1HG MET 58 -6.472 19.464 4.973 438 1HE MET 58 1HE MET 58 -7.280 21.097 6.943 439 2HE MET 58 2HE MET 58 -7.889 20.102 8.265 440 3HE MET 58 3HE MET 58 -8.160 19.601 6.599 441 H LYS 59 H LYS 59 -9.132 16.314 3.581 442 HA LYS 59 HA LYS 59 -9.024 13.593 4.152 443 1HB LYS 59 2HB LYS 59 -11.045 15.025 3.604 444 2HB LYS 59 1HB LYS 59 -10.596 14.873 1.901 445 1HG LYS 59 2HG LYS 59 -10.760 12.276 3.369 446 2HG LYS 59 1HG LYS 59 -12.293 13.132 3.230 447 1HD LYS 59 2HD LYS 59 -12.102 13.229 0.823 448 2HD LYS 59 1HD LYS 59 -10.467 12.576 0.879 449 1HE LYS 59 2HE LYS 59 -12.146 10.838 0.289 450 2HE LYS 59 1HE LYS 59 -11.306 10.466 1.795 451 1HZ LYS 59 1HZ LYS 59 -13.814 10.235 1.790 452 2HZ LYS 59 2HZ LYS 59 -13.874 11.933 1.758 453 3HZ LYS 59 3HZ LYS 59 -13.136 11.130 3.061 454 H ASP 60 H ASP 60 -8.512 15.187 1.009 455 HA ASP 60 HA ASP 60 -8.147 12.898 -0.558 456 1HB ASP 60 2HB ASP 60 -8.256 15.032 -1.601 457 2HB ASP 60 1HB ASP 60 -6.875 15.641 -0.692 458 H PHE 61 H PHE 61 -6.178 14.073 2.005 459 HA PHE 61 HA PHE 61 -3.702 12.797 1.164 460 1HB PHE 61 2HB PHE 61 -4.001 14.713 2.911 461 2HB PHE 61 1HB PHE 61 -4.411 13.422 4.041 462 HD1 PHE 61 1HD PHE 61 -1.815 14.582 1.666 463 HD2 PHE 61 2HD PHE 61 -2.692 12.073 5.026 464 HE1 PHE 61 1HE PHE 61 0.609 14.107 1.933 465 HE2 PHE 61 2HE PHE 61 -0.272 11.588 5.299 466 HZ PHE 61 HZ PHE 61 1.383 12.603 3.743 467 H ARG 62 H ARG 62 -5.786 12.072 3.967 468 HA ARG 62 HA ARG 62 -4.820 9.440 4.359 469 1HB ARG 62 2HB ARG 62 -7.273 9.222 5.440 470 2HB ARG 62 1HB ARG 62 -6.010 10.141 6.216 471 1HG ARG 62 2HG ARG 62 -7.684 11.593 4.227 472 2HG ARG 62 1HG ARG 62 -8.443 11.164 5.726 473 1HD ARG 62 2HD ARG 62 -6.790 13.415 5.250 474 2HD ARG 62 1HD ARG 62 -7.478 12.926 6.767 475 HE ARG 62 HE ARG 62 -4.705 12.322 5.876 476 1HH1 ARG 62 1HH2 ARG 62 -7.210 12.144 8.274 477 2HH1 ARG 62 2HH2 ARG 62 -6.111 11.824 9.568 478 1HH2 ARG 62 1HH1 ARG 62 -3.286 11.905 7.574 479 2HH2 ARG 62 2HH1 ARG 62 -3.905 11.694 9.178 480 H HIS 63 H HIS 63 -7.169 10.724 2.157 481 HA HIS 63 HA HIS 63 -8.554 8.306 1.466 482 1HB HIS 63 2HB HIS 63 -8.926 10.842 0.725 483 2HB HIS 63 1HB HIS 63 -7.923 10.376 -0.643 484 HD1 HIS 63 1HD HIS 63 -10.415 8.150 1.119 485 HD2 HIS 63 2HD HIS 63 -9.962 10.069 -2.552 486 HE1 HIS 63 1HE HIS 63 -12.275 7.309 -0.354 487 H GLY 64 H GLY 64 -5.582 9.780 0.110 488 1HA GLY 64 2HA GLY 64 -5.180 7.777 -1.872 489 2HA GLY 64 1HA GLY 64 -3.899 8.756 -1.164 490 H PHE 65 H PHE 65 -4.457 7.837 1.589 491 HA PHE 65 HA PHE 65 -2.949 5.308 1.449 492 1HB PHE 65 2HB PHE 65 -4.008 6.938 3.776 493 2HB PHE 65 1HB PHE 65 -3.115 5.431 3.970 494 HD1 PHE 65 1HD PHE 65 -2.922 8.959 3.082 495 HD2 PHE 65 2HD PHE 65 -0.731 5.282 3.299 496 HE1 PHE 65 1HE PHE 65 -0.808 10.220 2.893 497 HE2 PHE 65 2HE PHE 65 1.398 6.542 3.106 498 HZ PHE 65 HZ PHE 65 1.359 9.017 2.907 499 H ASP 66 H ASP 66 -6.165 6.428 2.467 500 HA ASP 66 HA ASP 66 -7.098 3.815 3.275 501 1HB ASP 66 2HB ASP 66 -8.131 6.040 3.945 502 2HB ASP 66 1HB ASP 66 -8.799 6.134 2.316 503 H ILE 67 H ILE 67 -7.463 5.764 0.307 504 HA ILE 67 HA ILE 67 -9.033 3.939 -1.171 505 HB ILE 67 HB ILE 67 -6.874 5.896 -2.031 506 1HG1 ILE 67 2HG1 ILE 67 -9.018 6.805 -1.105 507 2HG1 ILE 67 1HG1 ILE 67 -8.773 7.238 -2.791 508 1HG2 ILE 67 1HG2 ILE 67 -7.963 5.558 -4.356 509 2HG2 ILE 67 2HG2 ILE 67 -8.541 4.023 -3.708 510 3HG2 ILE 67 3HG2 ILE 67 -6.810 4.345 -3.801 511 1HD1 ILE 67 1HD1 ILE 67 -10.211 4.839 -2.950 512 2HD1 ILE 67 2HD1 ILE 67 -10.870 6.459 -3.128 513 3HD1 ILE 67 3HD1 ILE 67 -10.910 5.663 -1.559 514 H LEU 68 H LEU 68 -5.497 4.170 -0.842 515 HA LEU 68 HA LEU 68 -4.818 1.929 -2.472 516 1HB LEU 68 2HB LEU 68 -3.046 3.390 -1.876 517 2HB LEU 68 1HB LEU 68 -3.470 3.350 -0.170 518 HG LEU 68 HG LEU 68 -2.665 1.049 0.019 519 1HD1 LEU 68 1HD1 LEU 68 -2.365 1.308 -2.971 520 2HD1 LEU 68 2HD1 LEU 68 -3.152 0.025 -2.065 521 3HD1 LEU 68 3HD1 LEU 68 -1.397 0.148 -2.070 522 1HD2 LEU 68 1HD2 LEU 68 -0.670 2.741 -1.510 523 2HD2 LEU 68 2HD2 LEU 68 -0.297 1.465 -0.352 524 3HD2 LEU 68 3HD2 LEU 68 -1.060 2.958 0.197 525 H VAL 69 H VAL 69 -5.402 2.161 1.041 526 HA VAL 69 HA VAL 69 -4.969 -0.580 1.632 527 HB VAL 69 HB VAL 69 -6.673 1.537 2.948 528 1HG1 VAL 69 1HG1 VAL 69 -7.658 -0.442 3.706 529 2HG1 VAL 69 2HG1 VAL 69 -6.465 -0.083 4.952 530 3HG1 VAL 69 3HG1 VAL 69 -6.127 -1.306 3.730 531 1HG2 VAL 69 1HG2 VAL 69 -4.836 1.910 4.371 532 2HG2 VAL 69 2HG2 VAL 69 -4.049 1.624 2.821 533 3HG2 VAL 69 3HG2 VAL 69 -4.121 0.336 4.019 534 H GLY 70 H GLY 70 -7.646 1.041 0.105 535 1HA GLY 70 2HA GLY 70 -9.600 -1.017 0.738 536 2HA GLY 70 1HA GLY 70 -9.806 0.266 -0.448 537 H GLN 71 H GLN 71 -7.764 -0.205 -2.263 538 HA GLN 71 HA GLN 71 -8.805 -2.519 -3.636 539 1HB GLN 71 2HB GLN 71 -7.461 -1.892 -5.432 540 2HB GLN 71 1HB GLN 71 -7.636 -0.359 -4.590 541 1HG GLN 71 2HG GLN 71 -5.334 -0.446 -4.973 542 2HG GLN 71 1HG GLN 71 -5.452 -1.077 -3.338 543 1HE2 GLN 71 1HE2 GLN 71 -6.778 -3.530 -4.994 544 2HE2 GLN 71 2HE2 GLN 71 -5.398 -4.438 -5.378 545 H ILE 72 H ILE 72 -6.209 -1.967 -1.407 546 HA ILE 72 HA ILE 72 -4.961 -4.573 -1.864 547 HB ILE 72 HB ILE 72 -4.661 -2.346 0.143 548 1HG1 ILE 72 2HG1 ILE 72 -2.580 -4.018 -1.273 549 2HG1 ILE 72 1HG1 ILE 72 -3.322 -2.598 -2.008 550 1HG2 ILE 72 1HG2 ILE 72 -3.836 -5.219 0.610 551 2HG2 ILE 72 2HG2 ILE 72 -4.735 -4.156 1.690 552 3HG2 ILE 72 3HG2 ILE 72 -3.023 -3.868 1.402 553 1HD1 ILE 72 1HD1 ILE 72 -1.696 -2.692 0.548 554 2HD1 ILE 72 2HD1 ILE 72 -2.580 -1.270 -0.001 555 3HD1 ILE 72 3HD1 ILE 72 -1.247 -1.906 -0.965 556 H ASP 73 H ASP 73 -7.497 -3.173 0.137 557 HA ASP 73 HA ASP 73 -7.827 -5.320 1.986 558 1HB ASP 73 2HB ASP 73 -8.961 -3.102 2.190 559 2HB ASP 73 1HB ASP 73 -10.020 -3.555 0.855 560 H ASP 74 H ASP 74 -9.575 -4.699 -1.074 561 HA ASP 74 HA ASP 74 -11.024 -7.172 -1.065 562 1HB ASP 74 2HB ASP 74 -10.258 -5.227 -3.254 563 2HB ASP 74 1HB ASP 74 -11.181 -6.691 -3.596 564 H ALA 75 H ALA 75 -7.776 -6.337 -2.211 565 HA ALA 75 HA ALA 75 -7.462 -8.815 -3.671 566 1HB ALA 75 1HB ALA 75 -4.922 -8.199 -3.287 567 2HB ALA 75 2HB ALA 75 -5.578 -6.674 -2.692 568 3HB ALA 75 3HB ALA 75 -5.904 -7.187 -4.347 569 H LEU 76 H LEU 76 -7.013 -7.768 -0.344 570 HA LEU 76 HA LEU 76 -5.510 -9.956 0.619 571 1HB LEU 76 2HB LEU 76 -6.755 -7.707 1.680 572 2HB LEU 76 1HB LEU 76 -7.742 -8.987 2.345 573 HG LEU 76 HG LEU 76 -4.882 -9.627 2.645 574 1HD1 LEU 76 1HD1 LEU 76 -4.793 -7.088 2.695 575 2HD1 LEU 76 2HD1 LEU 76 -4.198 -7.901 4.141 576 3HD1 LEU 76 3HD1 LEU 76 -5.804 -7.172 4.138 577 1HD2 LEU 76 1HD2 LEU 76 -6.727 -10.691 3.909 578 2HD2 LEU 76 2HD2 LEU 76 -7.075 -9.142 4.677 579 3HD2 LEU 76 3HD2 LEU 76 -5.538 -9.951 4.982 580 H LYS 77 H LYS 77 -8.866 -9.539 -0.245 581 HA LYS 77 HA LYS 77 -9.899 -11.990 0.793 582 1HB LYS 77 2HB LYS 77 -11.167 -9.903 -0.042 583 2HB LYS 77 1HB LYS 77 -10.881 -10.528 -1.671 584 1HG LYS 77 2HG LYS 77 -12.964 -11.453 -1.138 585 2HG LYS 77 1HG LYS 77 -11.835 -12.746 -0.743 586 1HD LYS 77 2HD LYS 77 -11.932 -11.316 1.649 587 2HD LYS 77 1HD LYS 77 -13.579 -11.158 1.055 588 1HE LYS 77 2HE LYS 77 -13.554 -13.693 0.707 589 2HE LYS 77 1HE LYS 77 -12.046 -13.710 1.629 590 1HZ LYS 77 1HZ LYS 77 -13.101 -13.157 3.542 591 2HZ LYS 77 2HZ LYS 77 -14.394 -13.952 2.779 592 3HZ LYS 77 3HZ LYS 77 -14.311 -12.255 2.767 593 H LEU 78 H LEU 78 -8.604 -11.025 -2.366 594 HA LEU 78 HA LEU 78 -9.089 -13.477 -3.715 595 1HB LEU 78 2HB LEU 78 -7.293 -11.111 -4.071 596 2HB LEU 78 1HB LEU 78 -6.830 -12.566 -4.961 597 HG LEU 78 HG LEU 78 -9.047 -12.673 -5.999 598 1HD1 LEU 78 1HD1 LEU 78 -10.513 -10.526 -5.594 599 2HD1 LEU 78 2HD1 LEU 78 -9.612 -10.411 -4.084 600 3HD1 LEU 78 3HD1 LEU 78 -10.578 -11.845 -4.426 601 1HD2 LEU 78 1HD2 LEU 78 -8.773 -10.836 -7.482 602 2HD2 LEU 78 2HD2 LEU 78 -7.151 -11.110 -6.845 603 3HD2 LEU 78 3HD2 LEU 78 -8.134 -9.794 -6.210 604 H ALA 79 H ALA 79 -6.596 -12.443 -1.504 605 HA ALA 79 HA ALA 79 -4.769 -14.606 -1.905 606 1HB ALA 79 1HB ALA 79 -4.392 -12.431 -0.596 607 2HB ALA 79 2HB ALA 79 -3.766 -13.895 0.155 608 3HB ALA 79 3HB ALA 79 -5.271 -13.188 0.727 609 H ASN 80 H ASN 80 -7.279 -14.132 0.615 610 HA ASN 80 HA ASN 80 -7.007 -16.841 1.574 611 1HB ASN 80 2HB ASN 80 -7.948 -14.656 2.757 612 2HB ASN 80 1HB ASN 80 -9.491 -15.244 2.132 613 1HD2 ASN 80 1HD2 ASN 80 -6.573 -16.657 3.703 614 2HD2 ASN 80 2HD2 ASN 80 -7.435 -17.690 4.705 615 H GLU 81 H GLU 81 -8.609 -15.604 -1.169 616 HA GLU 81 HA GLU 81 -10.704 -17.709 -1.118 617 1HB GLU 81 2HB GLU 81 -10.092 -15.395 -2.943 618 2HB GLU 81 1HB GLU 81 -11.224 -16.653 -3.427 619 1HG GLU 81 2HG GLU 81 -12.572 -16.241 -1.422 620 2HG GLU 81 1HG GLU 81 -11.422 -15.019 -0.884 621 H GLY 82 H GLY 82 -7.487 -17.357 -2.155 622 1HA GLY 82 2HA GLY 82 -6.227 -19.214 -3.040 623 2HA GLY 82 1HA GLY 82 -7.714 -19.895 -3.696 624 H LYS 83 H LYS 83 -7.415 -16.535 -4.282 625 HA LYS 83 HA LYS 83 -6.807 -17.115 -7.142 626 1HB LYS 83 2HB LYS 83 -7.491 -14.379 -6.110 627 2HB LYS 83 1HB LYS 83 -7.811 -15.075 -7.684 628 1HG LYS 83 2HG LYS 83 -9.210 -15.692 -5.098 629 2HG LYS 83 1HG LYS 83 -9.892 -14.954 -6.537 630 1HD LYS 83 2HD LYS 83 -9.176 -17.151 -7.745 631 2HD LYS 83 1HD LYS 83 -9.077 -17.826 -6.121 632 1HE LYS 83 2HE LYS 83 -11.301 -18.230 -7.111 633 2HE LYS 83 1HE LYS 83 -11.418 -17.182 -5.697 634 1HZ LYS 83 1HZ LYS 83 -12.482 -16.619 -8.092 635 2HZ LYS 83 2HZ LYS 83 -10.997 -15.800 -8.201 636 3HZ LYS 83 3HZ LYS 83 -12.072 -15.451 -6.932 637 H VAL 84 H VAL 84 -4.608 -17.549 -6.720 638 HA VAL 84 HA VAL 84 -2.813 -15.586 -5.558 639 HB VAL 84 HB VAL 84 -2.094 -17.999 -7.249 640 1HG1 VAL 84 1HG1 VAL 84 -0.033 -17.912 -5.827 641 2HG1 VAL 84 2HG1 VAL 84 -0.614 -16.388 -5.156 642 3HG1 VAL 84 3HG1 VAL 84 -0.222 -16.504 -6.871 643 1HG2 VAL 84 1HG2 VAL 84 -2.647 -17.765 -4.278 644 2HG2 VAL 84 2HG2 VAL 84 -1.905 -19.170 -5.046 645 3HG2 VAL 84 3HG2 VAL 84 -3.563 -18.718 -5.445 646 H LYS 85 H LYS 85 -3.006 -16.908 -8.902 647 HA LYS 85 HA LYS 85 -1.283 -15.054 -10.102 648 1HB LYS 85 2HB LYS 85 -3.854 -16.223 -11.220 649 2HB LYS 85 1HB LYS 85 -2.659 -15.361 -12.183 650 1HG LYS 85 2HG LYS 85 -1.735 -17.435 -12.525 651 2HG LYS 85 1HG LYS 85 -1.054 -17.222 -10.917 652 1HD LYS 85 2HD LYS 85 -2.915 -18.435 -9.915 653 2HD LYS 85 1HD LYS 85 -3.737 -18.531 -11.473 654 1HE LYS 85 2HE LYS 85 -1.844 -19.846 -12.381 655 2HE LYS 85 1HE LYS 85 -1.057 -19.784 -10.803 656 1HZ LYS 85 1HZ LYS 85 -3.448 -21.261 -11.634 657 2HZ LYS 85 2HZ LYS 85 -3.352 -20.724 -10.024 658 3HZ LYS 85 3HZ LYS 85 -2.159 -21.759 -10.651 659 H GLU 86 H GLU 86 -4.688 -14.656 -9.225 660 HA GLU 86 HA GLU 86 -5.011 -12.059 -10.421 661 1HB GLU 86 2HB GLU 86 -6.481 -13.253 -8.046 662 2HB GLU 86 1HB GLU 86 -7.004 -11.878 -9.018 663 1HG GLU 86 2HG GLU 86 -8.207 -13.799 -9.828 664 2HG GLU 86 1HG GLU 86 -7.004 -13.370 -11.041 665 H ALA 87 H ALA 87 -4.240 -13.190 -7.122 666 HA ALA 87 HA ALA 87 -3.995 -10.538 -6.040 667 1HB ALA 87 1HB ALA 87 -2.573 -11.750 -4.270 668 2HB ALA 87 2HB ALA 87 -2.913 -13.223 -5.179 669 3HB ALA 87 3HB ALA 87 -4.237 -12.303 -4.463 670 H GLN 88 H GLN 88 -1.635 -12.818 -7.335 671 HA GLN 88 HA GLN 88 0.695 -11.227 -6.971 672 1HB GLN 88 2HB GLN 88 1.339 -13.362 -7.498 673 2HB GLN 88 1HB GLN 88 -0.142 -13.684 -8.370 674 1HG GLN 88 2HG GLN 88 0.694 -12.842 -10.393 675 2HG GLN 88 1HG GLN 88 1.981 -11.967 -9.588 676 1HE2 GLN 88 1HE2 GLN 88 1.026 -15.373 -9.008 677 2HE2 GLN 88 2HE2 GLN 88 2.504 -16.030 -9.478 678 H ALA 89 H ALA 89 -1.207 -11.756 -9.972 679 HA ALA 89 HA ALA 89 0.070 -9.800 -11.543 680 1HB ALA 89 1HB ALA 89 -1.614 -11.399 -12.427 681 2HB ALA 89 2HB ALA 89 -1.993 -9.738 -12.884 682 3HB ALA 89 3HB ALA 89 -2.880 -10.518 -11.574 683 H ALA 90 H ALA 90 -2.539 -9.439 -9.160 684 HA ALA 90 HA ALA 90 -3.051 -6.655 -9.678 685 1HB ALA 90 1HB ALA 90 -3.892 -6.655 -7.287 686 2HB ALA 90 2HB ALA 90 -3.345 -8.327 -7.157 687 3HB ALA 90 3HB ALA 90 -4.615 -7.901 -8.303 688 H ALA 91 H ALA 91 -0.674 -8.411 -7.746 689 HA ALA 91 HA ALA 91 0.468 -6.367 -6.213 690 1HB ALA 91 1HB ALA 91 2.230 -8.276 -7.749 691 2HB ALA 91 2HB ALA 91 1.171 -8.870 -6.470 692 3HB ALA 91 3HB ALA 91 2.417 -7.679 -6.100 693 H GLU 92 H GLU 92 0.977 -7.097 -9.663 694 HA GLU 92 HA GLU 92 2.887 -4.985 -10.104 695 1HB GLU 92 2HB GLU 92 1.106 -6.673 -11.845 696 2HB GLU 92 1HB GLU 92 1.867 -5.248 -12.554 697 1HG GLU 92 2HG GLU 92 4.012 -6.116 -12.371 698 2HG GLU 92 1HG GLU 92 3.624 -7.080 -10.948 699 H GLN 93 H GLN 93 -0.588 -5.122 -9.808 700 HA GLN 93 HA GLN 93 -1.087 -2.494 -10.957 701 1HB GLN 93 2HB GLN 93 -2.794 -4.432 -10.579 702 2HB GLN 93 1HB GLN 93 -2.834 -3.903 -8.904 703 1HG GLN 93 2HG GLN 93 -3.223 -1.732 -10.920 704 2HG GLN 93 1HG GLN 93 -4.503 -2.935 -10.842 705 1HE2 GLN 93 1HE2 GLN 93 -2.546 -1.850 -8.026 706 2HE2 GLN 93 2HE2 GLN 93 -3.850 -1.149 -7.195 707 H LEU 94 H LEU 94 -0.518 -3.886 -7.756 708 HA LEU 94 HA LEU 94 -0.875 -1.498 -6.218 709 1HB LEU 94 2HB LEU 94 0.687 -4.043 -5.816 710 2HB LEU 94 1HB LEU 94 0.852 -2.718 -4.670 711 HG LEU 94 HG LEU 94 -1.603 -2.745 -4.298 712 1HD1 LEU 94 1HD1 LEU 94 -1.492 -5.165 -6.105 713 2HD1 LEU 94 2HD1 LEU 94 -2.348 -3.665 -6.444 714 3HD1 LEU 94 3HD1 LEU 94 -2.884 -4.720 -5.136 715 1HD2 LEU 94 1HD2 LEU 94 -0.143 -5.372 -3.925 716 2HD2 LEU 94 2HD2 LEU 94 -1.679 -4.989 -3.157 717 3HD2 LEU 94 3HD2 LEU 94 -0.244 -4.040 -2.772 718 H LYS 95 H LYS 95 1.916 -2.971 -7.830 719 HA LYS 95 HA LYS 95 3.942 -1.163 -7.043 720 1HB LYS 95 2HB LYS 95 3.510 -2.682 -9.634 721 2HB LYS 95 1HB LYS 95 4.977 -1.773 -9.285 722 1HG LYS 95 2HG LYS 95 4.758 -3.294 -6.990 723 2HG LYS 95 1HG LYS 95 4.055 -4.383 -8.176 724 1HD LYS 95 2HD LYS 95 6.437 -4.817 -8.026 725 2HD LYS 95 1HD LYS 95 6.094 -4.091 -9.595 726 1HE LYS 95 2HE LYS 95 7.255 -2.157 -9.087 727 2HE LYS 95 1HE LYS 95 6.760 -2.177 -7.392 728 1HZ LYS 95 1HZ LYS 95 8.288 -4.334 -7.465 729 2HZ LYS 95 2HZ LYS 95 8.888 -2.784 -7.112 730 3HZ LYS 95 3HZ LYS 95 9.048 -3.425 -8.678 731 H THR 96 H THR 96 1.730 -0.989 -9.838 732 HA THR 96 HA THR 96 2.724 1.584 -10.714 733 HB THR 96 HB THR 96 0.029 0.293 -11.256 734 HG1 THR 96 1HG THR 96 1.860 -0.952 -11.896 735 1HG2 THR 96 1HG2 THR 96 -0.078 2.609 -11.835 736 2HG2 THR 96 2HG2 THR 96 0.226 1.746 -13.343 737 3HG2 THR 96 3HG2 THR 96 1.545 2.580 -12.523 738 H THR 97 H THR 97 0.213 0.561 -8.461 739 HA THR 97 HA THR 97 -1.134 3.059 -8.215 740 HB THR 97 HB THR 97 -0.710 0.779 -6.285 741 HG1 THR 97 1HG THR 97 -2.303 1.178 -8.286 742 1HG2 THR 97 1HG2 THR 97 -1.035 2.447 -4.712 743 2HG2 THR 97 2HG2 THR 97 -2.714 2.054 -5.105 744 3HG2 THR 97 3HG2 THR 97 -1.950 3.469 -5.824 745 H ILE 98 H ILE 98 1.617 1.693 -6.393 746 HA ILE 98 HA ILE 98 2.103 3.799 -4.614 747 HB ILE 98 HB ILE 98 4.058 2.081 -6.140 748 1HG1 ILE 98 2HG1 ILE 98 3.091 1.866 -3.277 749 2HG1 ILE 98 1HG1 ILE 98 2.403 0.945 -4.615 750 1HG2 ILE 98 1HG2 ILE 98 5.596 2.689 -4.171 751 2HG2 ILE 98 2HG2 ILE 98 4.460 3.991 -3.830 752 3HG2 ILE 98 3HG2 ILE 98 5.323 3.954 -5.367 753 1HD1 ILE 98 1HD1 ILE 98 5.337 0.890 -3.848 754 2HD1 ILE 98 2HD1 ILE 98 4.542 -0.125 -5.048 755 3HD1 ILE 98 3HD1 ILE 98 4.160 -0.320 -3.339 756 H ARG 99 H ARG 99 2.922 3.475 -8.047 757 HA ARG 99 HA ARG 99 4.617 5.680 -8.323 758 1HB ARG 99 2HB ARG 99 3.742 3.949 -10.103 759 2HB ARG 99 1HB ARG 99 2.483 5.145 -10.386 760 1HG ARG 99 2HG ARG 99 4.223 5.677 -11.935 761 2HG ARG 99 1HG ARG 99 4.340 6.874 -10.644 762 1HD ARG 99 2HD ARG 99 6.373 6.073 -9.913 763 2HD ARG 99 1HD ARG 99 5.968 4.394 -10.261 764 HE ARG 99 HE ARG 99 7.242 6.264 -12.100 765 1HH1 ARG 99 1HH2 ARG 99 5.323 3.430 -11.687 766 2HH1 ARG 99 2HH2 ARG 99 5.776 2.739 -13.209 767 1HH2 ARG 99 1HH1 ARG 99 7.841 5.379 -14.095 768 2HH2 ARG 99 2HH1 ARG 99 7.203 3.841 -14.570 769 H ALA 100 H ALA 100 1.066 5.549 -8.318 770 HA ALA 100 HA ALA 100 0.644 8.355 -8.752 771 1HB ALA 100 1HB ALA 100 -1.123 6.573 -8.950 772 2HB ALA 100 2HB ALA 100 -1.620 7.957 -7.975 773 3HB ALA 100 3HB ALA 100 -1.130 6.455 -7.190 774 H TYR 101 H TYR 101 1.173 6.425 -5.818 775 HA TYR 101 HA TYR 101 0.619 8.579 -3.987 776 1HB TYR 101 2HB TYR 101 0.694 6.503 -2.916 777 2HB TYR 101 1HB TYR 101 2.080 5.971 -3.832 778 HD1 TYR 101 1HD TYR 101 4.344 6.867 -3.346 779 HD2 TYR 101 2HD TYR 101 0.977 7.613 -0.794 780 HE1 TYR 101 1HE TYR 101 5.881 7.519 -1.516 781 HE2 TYR 101 2HE TYR 101 2.515 8.272 1.039 782 HH TYR 101 HH TYR 101 4.789 9.080 1.334 783 H ASN 102 H ASN 102 3.365 7.680 -5.944 784 HA ASN 102 HA ASN 102 5.263 9.291 -4.540 785 1HB ASN 102 2HB ASN 102 6.480 7.916 -5.858 786 2HB ASN 102 1HB ASN 102 5.230 7.807 -7.093 787 1HD2 ASN 102 1HD2 ASN 102 6.763 10.845 -5.930 788 2HD2 ASN 102 2HD2 ASN 102 7.503 11.221 -7.413 789 H GLN 103 H GLN 103 2.875 10.142 -7.062 790 HA GLN 103 HA GLN 103 4.106 12.732 -7.515 791 1HB GLN 103 2HB GLN 103 2.193 13.325 -8.755 792 2HB GLN 103 1HB GLN 103 2.215 11.578 -8.942 793 1HG GLN 103 2HG GLN 103 -0.035 12.070 -8.406 794 2HG GLN 103 1HG GLN 103 0.659 11.531 -6.888 795 1HE2 GLN 103 1HE2 GLN 103 0.454 12.859 -5.151 796 2HE2 GLN 103 2HE2 GLN 103 0.012 14.498 -5.206 797 H LYS 104 H LYS 104 2.327 11.187 -5.084 798 HA LYS 104 HA LYS 104 1.522 13.650 -3.690 799 1HB LYS 104 2HB LYS 104 0.048 12.186 -2.763 800 2HB LYS 104 1HB LYS 104 0.878 10.838 -3.509 801 1HG LYS 104 2HG LYS 104 2.394 10.656 -1.628 802 2HG LYS 104 1HG LYS 104 1.749 12.125 -0.922 803 1HD LYS 104 2HD LYS 104 -0.110 9.841 -1.506 804 2HD LYS 104 1HD LYS 104 0.897 9.811 -0.069 805 1HE LYS 104 2HE LYS 104 -0.281 11.494 0.968 806 2HE LYS 104 1HE LYS 104 -0.587 12.353 -0.540 807 1HZ LYS 104 1HZ LYS 104 -2.342 10.741 0.827 808 2HZ LYS 104 2HZ LYS 104 -1.879 9.826 -0.527 809 3HZ LYS 104 3HZ LYS 104 -2.546 11.375 -0.733 810 H TYR 105 H TYR 105 4.154 11.259 -3.566 811 HA TYR 105 HA TYR 105 5.390 12.758 -1.335 812 1HB TYR 105 2HB TYR 105 5.988 10.671 -0.681 813 2HB TYR 105 1HB TYR 105 5.448 10.000 -2.213 814 HD1 TYR 105 1HD TYR 105 7.071 10.627 -4.253 815 HD2 TYR 105 2HD TYR 105 8.256 10.359 -0.147 816 HE1 TYR 105 1HE TYR 105 9.413 10.196 -4.966 817 HE2 TYR 105 2HE TYR 105 10.602 9.945 -0.845 818 HH TYR 105 HH TYR 105 12.030 10.436 -2.886 819 H GLY 106 H GLY 106 5.148 13.258 -4.469 820 1HA GLY 106 2HA GLY 106 7.984 13.687 -5.127 821 2HA GLY 106 1HA GLY 106 6.609 14.058 -6.167 Start of MODEL 6 1 1H ALA 1 1HT ALA 1 14.235 5.235 12.322 2 2H ALA 1 2HT ALA 1 14.789 6.767 11.835 3 3H ALA 1 3HT ALA 1 15.800 5.408 11.690 4 HA ALA 1 HA ALA 1 14.059 6.446 9.787 5 1HB ALA 1 1HB ALA 1 15.749 3.947 10.007 6 2HB ALA 1 2HB ALA 1 16.141 5.448 9.168 7 3HB ALA 1 3HB ALA 1 14.892 4.380 8.529 8 H ASP 2 H ASP 2 12.027 6.086 11.280 9 HA ASP 2 HA ASP 2 10.930 3.349 11.194 10 1HB ASP 2 2HB ASP 2 9.999 6.020 12.225 11 2HB ASP 2 1HB ASP 2 8.855 4.682 12.079 12 H LEU 3 H LEU 3 10.934 6.177 9.277 13 HA LEU 3 HA LEU 3 8.421 5.520 7.889 14 1HB LEU 3 2HB LEU 3 10.465 7.656 7.200 15 2HB LEU 3 1HB LEU 3 8.804 7.557 6.622 16 HG LEU 3 HG LEU 3 9.692 8.031 9.484 17 1HD1 LEU 3 1HD1 LEU 3 8.291 9.763 7.428 18 2HD1 LEU 3 2HD1 LEU 3 9.902 10.014 8.098 19 3HD1 LEU 3 3HD1 LEU 3 8.481 10.196 9.126 20 1HD2 LEU 3 1HD2 LEU 3 6.998 7.442 8.252 21 2HD2 LEU 3 2HD2 LEU 3 7.114 8.431 9.709 22 3HD2 LEU 3 3HD2 LEU 3 7.712 6.773 9.720 23 H GLU 4 H GLU 4 11.882 5.800 7.122 24 HA GLU 4 HA GLU 4 11.659 4.742 4.460 25 1HB GLU 4 2HB GLU 4 14.101 4.450 6.223 26 2HB GLU 4 1HB GLU 4 14.029 4.682 4.475 27 1HG GLU 4 2HG GLU 4 13.329 6.727 6.598 28 2HG GLU 4 1HG GLU 4 14.705 6.777 5.498 29 H ASP 5 H ASP 5 11.714 3.445 7.642 30 HA ASP 5 HA ASP 5 12.480 0.745 6.890 31 1HB ASP 5 2HB ASP 5 12.848 1.304 9.148 32 2HB ASP 5 1HB ASP 5 11.269 2.072 9.299 33 H ASN 6 H ASN 6 9.354 2.276 7.753 34 HA ASN 6 HA ASN 6 7.709 0.045 7.306 35 1HB ASN 6 2HB ASN 6 6.466 1.771 8.219 36 2HB ASN 6 1HB ASN 6 7.353 3.006 7.335 37 1HD2 ASN 6 1HD2 ASN 6 6.934 2.741 4.798 38 2HD2 ASN 6 2HD2 ASN 6 5.304 2.588 4.352 39 H TRP 7 H TRP 7 9.093 2.370 5.024 40 HA TRP 7 HA TRP 7 7.678 1.663 2.683 41 1HB TRP 7 2HB TRP 7 10.562 2.494 3.124 42 2HB TRP 7 1HB TRP 7 9.956 2.156 1.512 43 HD1 TRP 7 HD TRP 7 7.885 4.027 4.180 44 HE1 TRP 7 1HE TRP 7 7.483 6.433 3.340 45 HE3 TRP 7 3HE TRP 7 10.775 3.969 -0.023 46 HZ2 TRP 7 2HZ TRP 7 8.293 8.104 1.156 47 HZ3 TRP 7 3HZ TRP 7 10.945 5.978 -1.462 48 HH2 TRP 7 HH TRP 7 9.706 8.042 -0.878 49 H GLU 8 H GLU 8 10.727 0.238 3.913 50 HA GLU 8 HA GLU 8 10.967 -1.766 1.972 51 1HB GLU 8 2HB GLU 8 12.635 -1.116 3.783 52 2HB GLU 8 1HB GLU 8 11.666 -2.088 4.890 53 1HG GLU 8 2HG GLU 8 11.898 -3.982 3.238 54 2HG GLU 8 1HG GLU 8 13.125 -3.019 2.420 55 H THR 9 H THR 9 8.876 -1.554 4.800 56 HA THR 9 HA THR 9 8.192 -4.350 4.828 57 HB THR 9 HB THR 9 6.553 -2.029 5.881 58 HG1 THR 9 1HG THR 9 8.900 -2.704 6.598 59 1HG2 THR 9 1HG2 THR 9 6.533 -5.007 6.413 60 2HG2 THR 9 2HG2 THR 9 5.231 -4.043 5.716 61 3HG2 THR 9 3HG2 THR 9 5.681 -3.827 7.409 62 H LEU 10 H LEU 10 6.120 -1.579 3.775 63 HA LEU 10 HA LEU 10 4.270 -3.299 2.458 64 1HB LEU 10 2HB LEU 10 3.506 -1.309 1.211 65 2HB LEU 10 1HB LEU 10 3.689 -0.978 2.929 66 HG LEU 10 HG LEU 10 6.174 -0.277 2.077 67 1HD1 LEU 10 1HD1 LEU 10 5.776 -0.658 -0.290 68 2HD1 LEU 10 2HD1 LEU 10 5.881 1.077 -0.016 69 3HD1 LEU 10 3HD1 LEU 10 4.308 0.315 -0.237 70 1HD2 LEU 10 1HD2 LEU 10 5.389 2.062 2.121 71 2HD2 LEU 10 2HD2 LEU 10 4.654 1.121 3.420 72 3HD2 LEU 10 3HD2 LEU 10 3.723 1.501 1.972 73 H ASN 11 H ASN 11 7.377 -1.996 1.483 74 HA ASN 11 HA ASN 11 7.106 -2.741 -1.313 75 1HB ASN 11 2HB ASN 11 8.814 -1.097 -0.270 76 2HB ASN 11 1HB ASN 11 9.736 -2.537 0.166 77 1HD2 ASN 11 1HD2 ASN 11 8.023 -1.241 -2.753 78 2HD2 ASN 11 2HD2 ASN 11 9.223 -1.729 -3.850 79 H ASP 12 H ASP 12 8.985 -4.189 1.367 80 HA ASP 12 HA ASP 12 9.687 -6.591 0.026 81 1HB ASP 12 2HB ASP 12 10.769 -5.931 2.111 82 2HB ASP 12 1HB ASP 12 9.244 -6.082 2.984 83 H ASN 13 H ASN 13 6.632 -5.536 1.058 84 HA ASN 13 HA ASN 13 5.467 -8.119 1.688 85 1HB ASN 13 2HB ASN 13 4.609 -5.321 1.429 86 2HB ASN 13 1HB ASN 13 3.431 -6.419 0.774 87 1HD2 ASN 13 1HD2 ASN 13 3.492 -4.678 3.306 88 2HD2 ASN 13 2HD2 ASN 13 3.035 -5.756 4.547 89 H LEU 14 H LEU 14 5.288 -5.895 -1.078 90 HA LEU 14 HA LEU 14 3.790 -7.467 -2.851 91 1HB LEU 14 2HB LEU 14 5.948 -5.415 -3.321 92 2HB LEU 14 1HB LEU 14 5.000 -6.106 -4.639 93 HG LEU 14 HG LEU 14 3.533 -4.995 -2.253 94 1HD1 LEU 14 1HD1 LEU 14 4.879 -3.364 -4.410 95 2HD1 LEU 14 2HD1 LEU 14 4.983 -3.156 -2.663 96 3HD1 LEU 14 3HD1 LEU 14 3.484 -2.772 -3.508 97 1HD2 LEU 14 1HD2 LEU 14 2.980 -4.977 -5.237 98 2HD2 LEU 14 2HD2 LEU 14 1.872 -4.480 -3.964 99 3HD2 LEU 14 3HD2 LEU 14 2.346 -6.171 -4.102 100 H LYS 15 H LYS 15 7.309 -7.537 -2.299 101 HA LYS 15 HA LYS 15 7.818 -9.264 -4.546 102 1HB LYS 15 2HB LYS 15 9.695 -8.104 -3.625 103 2HB LYS 15 1HB LYS 15 9.357 -8.700 -2.006 104 1HG LYS 15 2HG LYS 15 9.765 -10.878 -3.987 105 2HG LYS 15 1HG LYS 15 11.179 -9.846 -3.772 106 1HD LYS 15 2HD LYS 15 11.411 -10.384 -1.503 107 2HD LYS 15 1HD LYS 15 9.723 -10.867 -1.336 108 1HE LYS 15 2HE LYS 15 11.517 -12.734 -1.414 109 2HE LYS 15 1HE LYS 15 10.070 -12.913 -2.407 110 1HZ LYS 15 1HZ LYS 15 12.812 -12.249 -3.223 111 2HZ LYS 15 2HZ LYS 15 11.512 -11.679 -4.156 112 3HZ LYS 15 3HZ LYS 15 11.722 -13.347 -3.917 113 H VAL 16 H VAL 16 7.105 -9.892 -1.109 114 HA VAL 16 HA VAL 16 7.503 -12.710 -1.237 115 HB VAL 16 HB VAL 16 5.645 -11.063 0.503 116 1HG1 VAL 16 1HG1 VAL 16 6.319 -14.013 0.523 117 2HG1 VAL 16 2HG1 VAL 16 4.720 -13.271 0.490 118 3HG1 VAL 16 3HG1 VAL 16 5.706 -13.176 1.949 119 1HG2 VAL 16 1HG2 VAL 16 7.366 -11.298 2.166 120 2HG2 VAL 16 2HG2 VAL 16 8.183 -10.800 0.686 121 3HG2 VAL 16 3HG2 VAL 16 8.230 -12.487 1.194 122 H ILE 17 H ILE 17 4.924 -10.709 -2.476 123 HA ILE 17 HA ILE 17 2.940 -12.811 -2.670 124 HB ILE 17 HB ILE 17 3.150 -10.379 -4.466 125 1HG1 ILE 17 2HG1 ILE 17 2.067 -10.650 -1.654 126 2HG1 ILE 17 1HG1 ILE 17 3.407 -9.652 -2.192 127 1HG2 ILE 17 1HG2 ILE 17 0.780 -10.625 -4.678 128 2HG2 ILE 17 2HG2 ILE 17 0.717 -11.796 -3.362 129 3HG2 ILE 17 3HG2 ILE 17 1.450 -12.241 -4.902 130 1HD1 ILE 17 1HD1 ILE 17 1.717 -8.524 -3.776 131 2HD1 ILE 17 2HD1 ILE 17 1.578 -8.147 -2.058 132 3HD1 ILE 17 3HD1 ILE 17 0.474 -9.307 -2.799 133 H GLU 18 H GLU 18 4.598 -11.195 -5.397 134 HA GLU 18 HA GLU 18 4.102 -13.155 -7.324 135 1HB GLU 18 2HB GLU 18 6.819 -11.859 -7.286 136 2HB GLU 18 1HB GLU 18 5.708 -12.099 -8.639 137 1HG GLU 18 2HG GLU 18 4.161 -10.471 -7.174 138 2HG GLU 18 1HG GLU 18 5.715 -9.951 -6.543 139 H LYS 19 H LYS 19 6.290 -13.238 -4.647 140 HA LYS 19 HA LYS 19 7.467 -15.809 -5.626 141 1HB LYS 19 2HB LYS 19 8.470 -13.599 -3.969 142 2HB LYS 19 1HB LYS 19 8.777 -15.167 -3.237 143 1HG LYS 19 2HG LYS 19 10.655 -14.589 -4.663 144 2HG LYS 19 1HG LYS 19 9.771 -15.927 -5.381 145 1HD LYS 19 2HD LYS 19 9.641 -14.708 -7.304 146 2HD LYS 19 1HD LYS 19 8.517 -13.642 -6.467 147 1HE LYS 19 2HE LYS 19 10.277 -12.268 -7.360 148 2HE LYS 19 1HE LYS 19 10.526 -12.354 -5.616 149 1HZ LYS 19 1HZ LYS 19 12.052 -14.272 -6.096 150 2HZ LYS 19 2HZ LYS 19 12.608 -12.747 -6.598 151 3HZ LYS 19 3HZ LYS 19 11.969 -13.837 -7.733 152 H ALA 20 H ALA 20 4.880 -14.792 -3.811 153 HA ALA 20 HA ALA 20 4.988 -16.434 -1.488 154 1HB ALA 20 1HB ALA 20 2.392 -16.532 -1.880 155 2HB ALA 20 2HB ALA 20 2.717 -15.401 -3.180 156 3HB ALA 20 3HB ALA 20 3.135 -14.977 -1.522 157 H ASP 21 H ASP 21 4.111 -17.079 -4.807 158 HA ASP 21 HA ASP 21 3.818 -19.048 -6.000 159 1HB ASP 21 2HB ASP 21 5.650 -19.965 -3.781 160 2HB ASP 21 1HB ASP 21 5.120 -21.044 -5.065 161 H ASN 22 H ASN 22 2.518 -18.727 -2.873 162 HA ASN 22 HA ASN 22 0.552 -20.835 -3.535 163 1HB ASN 22 2HB ASN 22 1.554 -20.830 -0.694 164 2HB ASN 22 1HB ASN 22 0.738 -22.110 -1.594 165 1HD2 ASN 22 1HD2 ASN 22 3.679 -20.146 -2.061 166 2HD2 ASN 22 2HD2 ASN 22 4.677 -21.459 -2.423 167 H ALA 23 H ALA 23 -1.474 -20.421 -2.694 168 HA ALA 23 HA ALA 23 -2.204 -17.750 -2.129 169 1HB ALA 23 1HB ALA 23 -3.805 -20.117 -1.176 170 2HB ALA 23 2HB ALA 23 -3.658 -19.737 -2.891 171 3HB ALA 23 3HB ALA 23 -4.386 -18.567 -1.790 172 H ALA 24 H ALA 24 -0.992 -20.194 0.027 173 HA ALA 24 HA ALA 24 -2.103 -19.167 2.463 174 1HB ALA 24 1HB ALA 24 -0.961 -21.406 2.153 175 2HB ALA 24 2HB ALA 24 -0.451 -20.510 3.586 176 3HB ALA 24 3HB ALA 24 0.577 -20.543 2.154 177 H GLN 25 H GLN 25 1.168 -18.672 1.077 178 HA GLN 25 HA GLN 25 1.919 -16.704 3.005 179 1HB GLN 25 2HB GLN 25 3.123 -16.753 0.256 180 2HB GLN 25 1HB GLN 25 3.901 -16.536 1.809 181 1HG GLN 25 2HG GLN 25 3.151 -18.995 2.274 182 2HG GLN 25 1HG GLN 25 2.936 -19.089 0.522 183 1HE2 GLN 25 1HE2 GLN 25 4.985 -18.107 -0.715 184 2HE2 GLN 25 2HE2 GLN 25 6.490 -18.612 -0.115 185 H VAL 26 H VAL 26 -0.108 -16.496 0.234 186 HA VAL 26 HA VAL 26 0.388 -13.695 -0.365 187 HB VAL 26 HB VAL 26 -2.134 -15.294 -0.924 188 1HG1 VAL 26 1HG1 VAL 26 -1.109 -12.874 -2.427 189 2HG1 VAL 26 2HG1 VAL 26 -2.189 -12.699 -1.055 190 3HG1 VAL 26 3HG1 VAL 26 -2.717 -13.585 -2.477 191 1HG2 VAL 26 1HG2 VAL 26 -1.202 -15.867 -3.036 192 2HG2 VAL 26 2HG2 VAL 26 0.115 -16.129 -1.905 193 3HG2 VAL 26 3HG2 VAL 26 0.088 -14.676 -2.887 194 H LYS 27 H LYS 27 -2.160 -15.393 1.557 195 HA LYS 27 HA LYS 27 -3.515 -13.049 2.401 196 1HB LYS 27 2HB LYS 27 -2.892 -15.521 4.042 197 2HB LYS 27 1HB LYS 27 -4.082 -14.310 4.472 198 1HG LYS 27 2HG LYS 27 -5.657 -15.384 3.233 199 2HG LYS 27 1HG LYS 27 -4.685 -15.184 1.790 200 1HD LYS 27 2HD LYS 27 -5.019 -17.549 2.057 201 2HD LYS 27 1HD LYS 27 -3.354 -17.211 2.510 202 1HE LYS 27 2HE LYS 27 -3.756 -17.521 4.784 203 2HE LYS 27 1HE LYS 27 -5.486 -17.216 4.632 204 1HZ LYS 27 1HZ LYS 27 -4.618 -19.625 4.904 205 2HZ LYS 27 2HZ LYS 27 -4.290 -19.513 3.241 206 3HZ LYS 27 3HZ LYS 27 -5.877 -19.307 3.813 207 H ASP 28 H ASP 28 -0.861 -14.838 3.839 208 HA ASP 28 HA ASP 28 -0.262 -13.186 6.024 209 1HB ASP 28 2HB ASP 28 1.723 -14.664 4.263 210 2HB ASP 28 1HB ASP 28 1.949 -14.227 5.957 211 H ALA 29 H ALA 29 0.784 -12.936 2.640 212 HA ALA 29 HA ALA 29 2.598 -10.761 3.099 213 1HB ALA 29 1HB ALA 29 2.751 -12.127 1.076 214 2HB ALA 29 2HB ALA 29 2.483 -10.440 0.640 215 3HB ALA 29 3HB ALA 29 1.149 -11.591 0.570 216 H LEU 30 H LEU 30 -0.613 -10.681 1.476 217 HA LEU 30 HA LEU 30 -0.807 -7.838 1.564 218 1HB LEU 30 2HB LEU 30 -3.064 -9.857 1.472 219 2HB LEU 30 1HB LEU 30 -3.185 -8.152 1.054 220 HG LEU 30 HG LEU 30 -1.425 -10.178 -0.356 221 1HD1 LEU 30 1HD1 LEU 30 -3.819 -8.728 -1.496 222 2HD1 LEU 30 2HD1 LEU 30 -3.999 -10.265 -0.654 223 3HD1 LEU 30 3HD1 LEU 30 -3.011 -10.170 -2.112 224 1HD2 LEU 30 1HD2 LEU 30 -0.310 -8.135 -0.670 225 2HD2 LEU 30 2HD2 LEU 30 -1.801 -7.193 -0.612 226 3HD2 LEU 30 3HD2 LEU 30 -1.410 -8.142 -2.046 227 H THR 31 H THR 31 -1.479 -10.244 4.007 228 HA THR 31 HA THR 31 -3.268 -8.744 5.657 229 HB THR 31 HB THR 31 -1.098 -10.737 6.389 230 HG1 THR 31 1HG THR 31 -3.110 -12.010 6.696 231 1HG2 THR 31 1HG2 THR 31 -1.544 -9.524 8.387 232 2HG2 THR 31 2HG2 THR 31 -2.539 -10.976 8.499 233 3HG2 THR 31 3HG2 THR 31 -3.271 -9.438 8.043 234 H LYS 32 H LYS 32 0.256 -8.940 5.576 235 HA LYS 32 HA LYS 32 0.690 -7.027 7.687 236 1HB LYS 32 2HB LYS 32 2.338 -8.352 5.557 237 2HB LYS 32 1HB LYS 32 3.051 -7.048 6.514 238 1HG LYS 32 2HG LYS 32 1.613 -9.239 7.993 239 2HG LYS 32 1HG LYS 32 3.176 -9.631 7.287 240 1HD LYS 32 2HD LYS 32 4.188 -7.700 8.477 241 2HD LYS 32 1HD LYS 32 2.621 -7.345 9.207 242 1HE LYS 32 2HE LYS 32 4.240 -9.883 9.565 243 2HE LYS 32 1HE LYS 32 3.954 -8.641 10.784 244 1HZ LYS 32 1HZ LYS 32 1.461 -9.294 9.919 245 2HZ LYS 32 2HZ LYS 32 2.190 -9.845 11.350 246 3HZ LYS 32 3HZ LYS 32 2.259 -10.790 9.939 247 H MET 33 H MET 33 0.241 -6.806 4.212 248 HA MET 33 HA MET 33 1.262 -4.135 3.845 249 1HB MET 33 2HB MET 33 -0.897 -5.692 2.413 250 2HB MET 33 1HB MET 33 -0.359 -4.100 1.885 251 1HG MET 33 2HG MET 33 1.985 -5.024 1.827 252 2HG MET 33 1HG MET 33 1.283 -6.627 2.056 253 1HE MET 33 1HE MET 33 0.698 -3.329 -0.069 254 2HE MET 33 2HE MET 33 1.301 -3.940 -1.608 255 3HE MET 33 3HE MET 33 2.354 -3.939 -0.197 256 H ARG 34 H ARG 34 -2.116 -5.175 3.846 257 HA ARG 34 HA ARG 34 -3.289 -2.680 4.226 258 1HB ARG 34 2HB ARG 34 -4.420 -4.982 3.871 259 2HB ARG 34 1HB ARG 34 -4.371 -5.136 5.624 260 1HG ARG 34 2HG ARG 34 -5.803 -3.281 5.962 261 2HG ARG 34 1HG ARG 34 -5.538 -2.657 4.341 262 1HD ARG 34 2HD ARG 34 -6.651 -5.028 3.675 263 2HD ARG 34 1HD ARG 34 -7.407 -4.798 5.246 264 HE ARG 34 HE ARG 34 -7.791 -3.104 2.862 265 1HH1 ARG 34 1HH2 ARG 34 -8.192 -3.586 6.261 266 2HH1 ARG 34 2HH2 ARG 34 -9.509 -2.472 6.394 267 1HH2 ARG 34 1HH1 ARG 34 -9.513 -1.639 3.032 268 2HH2 ARG 34 2HH1 ARG 34 -10.253 -1.372 4.574 269 H ALA 35 H ALA 35 -1.507 -4.593 6.464 270 HA ALA 35 HA ALA 35 -2.428 -3.214 8.860 271 1HB ALA 35 1HB ALA 35 -0.808 -4.514 10.026 272 2HB ALA 35 2HB ALA 35 0.149 -4.771 8.568 273 3HB ALA 35 3HB ALA 35 -1.410 -5.574 8.751 274 H ALA 36 H ALA 36 0.724 -3.265 7.108 275 HA ALA 36 HA ALA 36 1.694 -0.941 8.512 276 1HB ALA 36 1HB ALA 36 3.415 -0.896 6.647 277 2HB ALA 36 2HB ALA 36 2.565 -2.268 5.935 278 3HB ALA 36 3HB ALA 36 3.309 -2.421 7.526 279 H ALA 37 H ALA 37 -0.229 -1.344 5.603 280 HA ALA 37 HA ALA 37 0.191 1.209 4.426 281 1HB ALA 37 1HB ALA 37 -1.087 -0.365 3.171 282 2HB ALA 37 2HB ALA 37 -2.231 0.902 3.614 283 3HB ALA 37 3HB ALA 37 -2.216 -0.620 4.503 284 H LEU 38 H LEU 38 -2.461 0.227 6.617 285 HA LEU 38 HA LEU 38 -3.353 2.900 7.096 286 1HB LEU 38 2HB LEU 38 -4.342 1.855 9.268 287 2HB LEU 38 1HB LEU 38 -4.944 1.300 7.714 288 HG LEU 38 HG LEU 38 -2.900 -0.479 8.096 289 1HD1 LEU 38 1HD1 LEU 38 -2.502 0.577 10.374 290 2HD1 LEU 38 2HD1 LEU 38 -2.664 -1.181 10.304 291 3HD1 LEU 38 3HD1 LEU 38 -4.018 -0.190 10.855 292 1HD2 LEU 38 1HD2 LEU 38 -4.601 -2.090 8.787 293 2HD2 LEU 38 2HD2 LEU 38 -5.264 -1.012 7.559 294 3HD2 LEU 38 3HD2 LEU 38 -5.675 -0.772 9.257 295 H ASP 39 H ASP 39 -0.585 1.185 8.270 296 HA ASP 39 HA ASP 39 -0.295 2.916 10.643 297 1HB ASP 39 2HB ASP 39 0.573 0.483 10.404 298 2HB ASP 39 1HB ASP 39 1.872 1.184 9.441 299 H ALA 40 H ALA 40 1.053 2.592 7.384 300 HA ALA 40 HA ALA 40 3.050 4.620 7.595 301 1HB ALA 40 1HB ALA 40 2.695 2.921 5.686 302 2HB ALA 40 2HB ALA 40 3.167 4.553 5.218 303 3HB ALA 40 3HB ALA 40 1.485 4.044 5.071 304 H GLN 41 H GLN 41 -0.397 4.832 7.425 305 HA GLN 41 HA GLN 41 -0.918 7.278 6.198 306 1HB GLN 41 2HB GLN 41 -2.629 5.833 7.303 307 2HB GLN 41 1HB GLN 41 -2.027 6.352 8.873 308 1HG GLN 41 2HG GLN 41 -2.822 8.467 6.895 309 2HG GLN 41 1HG GLN 41 -4.096 7.582 7.724 310 1HE2 GLN 41 1HE2 GLN 41 -1.729 10.091 8.081 311 2HE2 GLN 41 2HE2 GLN 41 -1.973 10.384 9.738 312 H LYS 42 H LYS 42 -0.080 6.826 9.609 313 HA LYS 42 HA LYS 42 0.378 9.594 10.161 314 1HB LYS 42 2HB LYS 42 1.941 7.533 11.684 315 2HB LYS 42 1HB LYS 42 1.004 8.899 12.282 316 1HG LYS 42 2HG LYS 42 -0.174 6.325 11.179 317 2HG LYS 42 1HG LYS 42 0.031 6.681 12.878 318 1HD LYS 42 2HD LYS 42 -1.451 8.724 11.277 319 2HD LYS 42 1HD LYS 42 -2.269 7.192 11.571 320 1HE LYS 42 2HE LYS 42 -2.646 9.044 13.309 321 2HE LYS 42 1HE LYS 42 -2.172 7.464 13.928 322 1HZ LYS 42 1HZ LYS 42 0.181 8.334 13.819 323 2HZ LYS 42 2HZ LYS 42 -0.814 9.004 15.022 324 3HZ LYS 42 3HZ LYS 42 -0.490 9.876 13.600 325 H ALA 43 H ALA 43 1.629 10.010 8.073 326 HA ALA 43 HA ALA 43 4.501 9.963 8.664 327 1HB ALA 43 1HB ALA 43 5.190 8.672 6.748 328 2HB ALA 43 2HB ALA 43 3.528 8.536 6.178 329 3HB ALA 43 3HB ALA 43 4.025 7.702 7.649 330 H THR 44 H THR 44 5.676 11.410 7.350 331 HA THR 44 HA THR 44 4.344 12.798 5.128 332 HB THR 44 HB THR 44 4.965 15.057 6.386 333 HG1 THR 44 1HG THR 44 4.661 14.832 8.615 334 1HG2 THR 44 1HG2 THR 44 2.692 15.271 7.146 335 2HG2 THR 44 2HG2 THR 44 2.504 13.526 7.265 336 3HG2 THR 44 3HG2 THR 44 2.660 14.290 5.683 337 HA PRO 45 HA PRO 45 8.953 11.969 4.880 338 1HB PRO 45 2HB PRO 45 8.123 12.053 2.005 339 2HB PRO 45 1HB PRO 45 9.227 10.942 2.831 340 1HG PRO 45 2HG PRO 45 6.721 10.230 2.179 341 2HG PRO 45 1HG PRO 45 7.528 9.624 3.631 342 1HD PRO 45 2HD PRO 45 5.314 11.597 3.412 343 2HD PRO 45 1HD PRO 45 5.745 10.540 4.767 344 HA PRO 46 HA PRO 46 9.365 16.079 2.625 345 1HB PRO 46 2HB PRO 46 7.257 17.263 1.389 346 2HB PRO 46 1HB PRO 46 8.127 15.897 0.669 347 1HG PRO 46 2HG PRO 46 5.423 15.980 1.809 348 2HG PRO 46 1HG PRO 46 6.151 14.775 0.734 349 1HD PRO 46 2HD PRO 46 5.858 14.680 3.647 350 2HD PRO 46 1HD PRO 46 6.371 13.394 2.547 351 H LYS 47 H LYS 47 6.155 17.393 2.969 352 HA LYS 47 HA LYS 47 6.298 18.215 5.709 353 1HB LYS 47 2HB LYS 47 6.680 20.747 5.024 354 2HB LYS 47 1HB LYS 47 8.059 19.696 5.310 355 1HG LYS 47 2HG LYS 47 8.501 19.425 3.013 356 2HG LYS 47 1HG LYS 47 6.880 19.937 2.544 357 1HD LYS 47 2HD LYS 47 7.350 22.223 3.113 358 2HD LYS 47 1HD LYS 47 8.863 21.781 3.904 359 1HE LYS 47 2HE LYS 47 9.434 22.667 1.741 360 2HE LYS 47 1HE LYS 47 9.670 20.921 1.658 361 1HZ LYS 47 1HZ LYS 47 8.303 20.947 -0.071 362 2HZ LYS 47 2HZ LYS 47 7.874 22.570 0.191 363 3HZ LYS 47 3HZ LYS 47 7.038 21.328 0.994 364 H LEU 48 H LEU 48 4.076 17.959 5.838 365 HA LEU 48 HA LEU 48 2.330 19.137 3.790 366 1HB LEU 48 2HB LEU 48 2.084 17.126 5.838 367 2HB LEU 48 1HB LEU 48 0.870 18.351 6.174 368 HG LEU 48 HG LEU 48 1.226 17.140 3.423 369 1HD1 LEU 48 1HD1 LEU 48 -0.842 15.801 4.090 370 2HD1 LEU 48 2HD1 LEU 48 -0.476 16.242 5.758 371 3HD1 LEU 48 3HD1 LEU 48 0.674 15.283 4.827 372 1HD2 LEU 48 1HD2 LEU 48 -1.113 17.962 3.170 373 2HD2 LEU 48 2HD2 LEU 48 0.011 19.273 3.521 374 3HD2 LEU 48 3HD2 LEU 48 -1.030 18.641 4.796 375 H GLU 49 H GLU 49 0.340 20.440 5.030 376 HA GLU 49 HA GLU 49 -0.142 22.577 5.888 377 1HB GLU 49 2HB GLU 49 1.985 22.041 7.968 378 2HB GLU 49 1HB GLU 49 0.470 22.924 8.150 379 1HG GLU 49 2HG GLU 49 -0.717 20.718 7.653 380 2HG GLU 49 1HG GLU 49 0.853 19.942 7.861 381 H ASP 50 H ASP 50 2.184 22.090 4.028 382 HA ASP 50 HA ASP 50 3.373 24.798 4.277 383 1HB ASP 50 2HB ASP 50 4.934 22.202 4.241 384 2HB ASP 50 1HB ASP 50 5.644 23.720 3.684 385 H LYS 51 H LYS 51 3.569 21.807 2.317 386 HA LYS 51 HA LYS 51 3.975 23.276 -0.125 387 1HB LYS 51 2HB LYS 51 3.808 21.169 -1.222 388 2HB LYS 51 1HB LYS 51 4.572 20.841 0.319 389 1HG LYS 51 2HG LYS 51 2.519 19.985 1.251 390 2HG LYS 51 1HG LYS 51 1.591 20.515 -0.145 391 1HD LYS 51 2HD LYS 51 1.974 18.158 -0.403 392 2HD LYS 51 1HD LYS 51 2.986 18.998 -1.577 393 1HE LYS 51 2HE LYS 51 4.954 18.629 -0.316 394 2HE LYS 51 1HE LYS 51 4.048 18.233 1.144 395 1HZ LYS 51 1HZ LYS 51 4.890 16.521 -0.940 396 2HZ LYS 51 2HZ LYS 51 3.197 16.474 -0.812 397 3HZ LYS 51 3HZ LYS 51 4.164 16.121 0.539 398 H SER 52 H SER 52 2.036 22.194 -1.884 399 HA SER 52 HA SER 52 -0.178 23.974 -1.323 400 1HB SER 52 2HB SER 52 0.764 23.398 -3.628 401 2HB SER 52 1HB SER 52 -0.081 21.860 -3.478 402 HG SER 52 HG SER 52 -2.010 22.951 -3.362 403 HA PRO 53 HA PRO 53 -2.291 20.534 0.826 404 1HB PRO 53 2HB PRO 53 -4.178 21.924 2.103 405 2HB PRO 53 1HB PRO 53 -2.468 22.147 2.543 406 1HG PRO 53 2HG PRO 53 -4.169 23.813 0.715 407 2HG PRO 53 1HG PRO 53 -3.142 24.341 2.073 408 1HD PRO 53 2HD PRO 53 -2.294 24.408 -0.529 409 2HD PRO 53 1HD PRO 53 -1.177 24.141 0.831 410 H ASP 54 H ASP 54 -3.432 22.583 -1.614 411 HA ASP 54 HA ASP 54 -5.124 22.446 -3.166 412 1HB ASP 54 2HB ASP 54 -4.478 20.226 -3.679 413 2HB ASP 54 1HB ASP 54 -5.139 19.586 -2.184 414 H SER 55 H SER 55 -5.844 21.669 0.146 415 HA SER 55 HA SER 55 -7.524 22.824 1.369 416 1HB SER 55 2HB SER 55 -8.193 24.044 -0.774 417 2HB SER 55 1HB SER 55 -9.388 22.763 -0.991 418 HG SER 55 HG SER 55 -9.924 24.781 0.284 419 HA PRO 56 HA PRO 56 -10.570 18.888 0.485 420 1HB PRO 56 2HB PRO 56 -8.090 17.194 0.511 421 2HB PRO 56 1HB PRO 56 -9.678 16.847 -0.209 422 1HG PRO 56 2HG PRO 56 -7.669 17.658 -1.723 423 2HG PRO 56 1HG PRO 56 -9.308 18.278 -2.001 424 1HD PRO 56 2HD PRO 56 -6.957 19.670 -0.789 425 2HD PRO 56 1HD PRO 56 -8.323 20.338 -1.715 426 H GLU 57 H GLU 57 -9.369 20.371 2.813 427 HA GLU 57 HA GLU 57 -9.008 20.049 5.123 428 1HB GLU 57 2HB GLU 57 -11.388 19.084 4.656 429 2HB GLU 57 1HB GLU 57 -10.618 17.505 4.808 430 1HG GLU 57 2HG GLU 57 -9.786 18.137 7.056 431 2HG GLU 57 1HG GLU 57 -10.591 19.700 6.904 432 H MET 58 H MET 58 -7.310 18.726 3.025 433 HA MET 58 HA MET 58 -5.437 17.366 2.976 434 1HB MET 58 2HB MET 58 -5.821 16.720 5.896 435 2HB MET 58 1HB MET 58 -4.339 16.908 4.974 436 1HG MET 58 2HG MET 58 -4.231 18.986 5.904 437 2HG MET 58 1HG MET 58 -5.464 19.438 4.724 438 1HE MET 58 1HE MET 58 -4.763 20.667 7.731 439 2HE MET 58 2HE MET 58 -6.402 21.182 8.117 440 3HE MET 58 3HE MET 58 -5.787 21.385 6.480 441 H LYS 59 H LYS 59 -8.519 16.467 3.681 442 HA LYS 59 HA LYS 59 -8.518 13.749 4.350 443 1HB LYS 59 2HB LYS 59 -10.506 15.274 3.970 444 2HB LYS 59 1HB LYS 59 -10.239 15.057 2.238 445 1HG LYS 59 2HG LYS 59 -10.373 12.498 3.758 446 2HG LYS 59 1HG LYS 59 -11.866 13.429 3.809 447 1HD LYS 59 2HD LYS 59 -12.009 13.476 1.402 448 2HD LYS 59 1HD LYS 59 -10.399 12.772 1.239 449 1HE LYS 59 2HE LYS 59 -12.512 11.217 1.035 450 2HE LYS 59 1HE LYS 59 -11.107 10.655 1.942 451 1HZ LYS 59 1HZ LYS 59 -13.471 12.005 3.129 452 2HZ LYS 59 2HZ LYS 59 -12.140 11.377 3.977 453 3HZ LYS 59 3HZ LYS 59 -13.194 10.332 3.152 454 H ASP 60 H ASP 60 -8.106 15.296 1.194 455 HA ASP 60 HA ASP 60 -8.052 12.986 -0.415 456 1HB ASP 60 2HB ASP 60 -8.112 15.130 -1.447 457 2HB ASP 60 1HB ASP 60 -6.651 15.662 -0.621 458 H PHE 61 H PHE 61 -5.866 14.068 1.983 459 HA PHE 61 HA PHE 61 -3.489 12.684 1.035 460 1HB PHE 61 2HB PHE 61 -3.628 14.642 2.724 461 2HB PHE 61 1HB PHE 61 -4.086 13.422 3.910 462 HD1 PHE 61 1HD PHE 61 -1.455 14.428 1.518 463 HD2 PHE 61 2HD PHE 61 -2.458 11.947 4.861 464 HE1 PHE 61 1HE PHE 61 0.950 13.856 1.804 465 HE2 PHE 61 2HE PHE 61 -0.064 11.363 5.153 466 HZ PHE 61 HZ PHE 61 1.642 12.319 3.623 467 H ARG 62 H ARG 62 -5.560 12.110 3.878 468 HA ARG 62 HA ARG 62 -4.631 9.437 4.299 469 1HB ARG 62 2HB ARG 62 -7.083 9.381 5.493 470 2HB ARG 62 1HB ARG 62 -5.674 10.103 6.238 471 1HG ARG 62 2HG ARG 62 -7.288 11.814 4.398 472 2HG ARG 62 1HG ARG 62 -7.959 11.440 5.956 473 1HD ARG 62 2HD ARG 62 -6.238 13.543 5.457 474 2HD ARG 62 1HD ARG 62 -6.587 12.872 7.040 475 HE ARG 62 HE ARG 62 -4.333 11.632 5.550 476 1HH1 ARG 62 1HH2 ARG 62 -5.474 13.773 8.027 477 2HH1 ARG 62 2HH2 ARG 62 -3.974 13.763 8.887 478 1HH2 ARG 62 1HH1 ARG 62 -2.389 11.629 6.669 479 2HH2 ARG 62 2HH1 ARG 62 -2.235 12.557 8.123 480 H HIS 63 H HIS 63 -7.195 10.770 2.316 481 HA HIS 63 HA HIS 63 -8.672 8.394 1.759 482 1HB HIS 63 2HB HIS 63 -8.965 10.916 0.909 483 2HB HIS 63 1HB HIS 63 -8.066 10.323 -0.485 484 HD1 HIS 63 1HD HIS 63 -10.595 8.396 1.564 485 HD2 HIS 63 2HD HIS 63 -10.182 9.932 -2.286 486 HE1 HIS 63 1HE HIS 63 -12.548 7.521 0.242 487 H GLY 64 H GLY 64 -5.610 9.581 0.393 488 1HA GLY 64 2HA GLY 64 -5.438 7.474 -1.553 489 2HA GLY 64 1HA GLY 64 -4.070 8.406 -0.936 490 H PHE 65 H PHE 65 -4.558 7.756 1.865 491 HA PHE 65 HA PHE 65 -3.335 5.072 1.886 492 1HB PHE 65 2HB PHE 65 -3.967 7.063 4.078 493 2HB PHE 65 1HB PHE 65 -3.277 5.468 4.392 494 HD1 PHE 65 1HD PHE 65 -2.536 8.837 3.535 495 HD2 PHE 65 2HD PHE 65 -1.155 4.818 3.007 496 HE1 PHE 65 1HE PHE 65 -0.297 9.695 2.937 497 HE2 PHE 65 2HE PHE 65 1.095 5.673 2.398 498 HZ PHE 65 HZ PHE 65 1.515 8.121 2.357 499 H ASP 66 H ASP 66 -6.409 6.594 2.681 500 HA ASP 66 HA ASP 66 -7.536 4.228 3.932 501 1HB ASP 66 2HB ASP 66 -8.363 6.743 4.023 502 2HB ASP 66 1HB ASP 66 -9.228 6.310 2.550 503 H ILE 67 H ILE 67 -7.619 5.738 0.724 504 HA ILE 67 HA ILE 67 -9.238 3.745 -0.517 505 HB ILE 67 HB ILE 67 -7.124 5.603 -1.671 506 1HG1 ILE 67 2HG1 ILE 67 -9.373 6.460 -0.583 507 2HG1 ILE 67 1HG1 ILE 67 -8.866 7.103 -2.141 508 1HG2 ILE 67 1HG2 ILE 67 -8.402 5.099 -3.854 509 2HG2 ILE 67 2HG2 ILE 67 -9.023 3.678 -3.015 510 3HG2 ILE 67 3HG2 ILE 67 -7.287 3.865 -3.265 511 1HD1 ILE 67 1HD1 ILE 67 -10.624 4.667 -2.120 512 2HD1 ILE 67 2HD1 ILE 67 -10.512 5.959 -3.311 513 3HD1 ILE 67 3HD1 ILE 67 -11.348 6.236 -1.786 514 H LEU 68 H LEU 68 -5.775 3.984 0.068 515 HA LEU 68 HA LEU 68 -4.814 1.899 -1.561 516 1HB LEU 68 2HB LEU 68 -3.279 3.279 -0.261 517 2HB LEU 68 1HB LEU 68 -4.023 2.727 1.242 518 HG LEU 68 HG LEU 68 -3.113 0.559 1.048 519 1HD1 LEU 68 1HD1 LEU 68 -1.727 -0.030 -1.054 520 2HD1 LEU 68 2HD1 LEU 68 -2.573 1.307 -1.824 521 3HD1 LEU 68 3HD1 LEU 68 -3.482 -0.073 -1.205 522 1HD2 LEU 68 1HD2 LEU 68 -1.044 2.533 0.038 523 2HD2 LEU 68 2HD2 LEU 68 -0.682 0.979 0.789 524 3HD2 LEU 68 3HD2 LEU 68 -1.469 2.249 1.727 525 H VAL 69 H VAL 69 -5.641 1.661 1.865 526 HA VAL 69 HA VAL 69 -5.566 -1.138 2.037 527 HB VAL 69 HB VAL 69 -6.976 -0.852 4.043 528 1HG1 VAL 69 1HG1 VAL 69 -4.525 -0.502 4.107 529 2HG1 VAL 69 2HG1 VAL 69 -5.370 0.497 5.289 530 3HG1 VAL 69 3HG1 VAL 69 -4.790 1.211 3.783 531 1HG2 VAL 69 1HG2 VAL 69 -6.974 2.080 3.423 532 2HG2 VAL 69 2HG2 VAL 69 -7.811 1.261 4.732 533 3HG2 VAL 69 3HG2 VAL 69 -8.349 1.036 3.070 534 H GLY 70 H GLY 70 -7.854 0.814 0.429 535 1HA GLY 70 2HA GLY 70 -10.128 -0.978 0.770 536 2HA GLY 70 1HA GLY 70 -10.030 0.354 -0.369 537 H GLN 71 H GLN 71 -8.027 -0.284 -2.110 538 HA GLN 71 HA GLN 71 -9.201 -2.481 -3.569 539 1HB GLN 71 2HB GLN 71 -7.697 -1.977 -5.290 540 2HB GLN 71 1HB GLN 71 -7.848 -0.433 -4.469 541 1HG GLN 71 2HG GLN 71 -5.528 -0.707 -4.797 542 2HG GLN 71 1HG GLN 71 -5.780 -1.133 -3.116 543 1HE2 GLN 71 1HE2 GLN 71 -7.047 -3.579 -5.139 544 2HE2 GLN 71 2HE2 GLN 71 -5.727 -4.638 -5.079 545 H ILE 72 H ILE 72 -6.621 -2.194 -1.261 546 HA ILE 72 HA ILE 72 -5.528 -4.840 -1.757 547 HB ILE 72 HB ILE 72 -5.292 -2.811 0.468 548 1HG1 ILE 72 2HG1 ILE 72 -3.188 -4.239 -1.164 549 2HG1 ILE 72 1HG1 ILE 72 -3.925 -2.717 -1.660 550 1HG2 ILE 72 1HG2 ILE 72 -4.388 -5.702 0.543 551 2HG2 ILE 72 2HG2 ILE 72 -5.363 -4.848 1.736 552 3HG2 ILE 72 3HG2 ILE 72 -3.658 -4.456 1.553 553 1HD1 ILE 72 1HD1 ILE 72 -3.164 -1.685 0.463 554 2HD1 ILE 72 2HD1 ILE 72 -1.809 -2.293 -0.488 555 3HD1 ILE 72 3HD1 ILE 72 -2.386 -3.202 0.908 556 H ASP 73 H ASP 73 -8.169 -3.480 0.162 557 HA ASP 73 HA ASP 73 -8.626 -5.707 1.877 558 1HB ASP 73 2HB ASP 73 -9.831 -3.596 2.180 559 2HB ASP 73 1HB ASP 73 -10.665 -3.832 0.644 560 H ASP 74 H ASP 74 -10.070 -5.014 -1.317 561 HA ASP 74 HA ASP 74 -11.477 -7.508 -1.517 562 1HB ASP 74 2HB ASP 74 -10.401 -5.774 -3.769 563 2HB ASP 74 1HB ASP 74 -11.704 -6.954 -3.887 564 H ALA 75 H ALA 75 -8.148 -6.572 -2.301 565 HA ALA 75 HA ALA 75 -7.601 -9.022 -3.746 566 1HB ALA 75 1HB ALA 75 -6.265 -6.821 -3.885 567 2HB ALA 75 2HB ALA 75 -5.321 -8.306 -3.782 568 3HB ALA 75 3HB ALA 75 -5.538 -7.298 -2.351 569 H LEU 76 H LEU 76 -7.517 -7.998 -0.385 570 HA LEU 76 HA LEU 76 -5.947 -10.072 0.702 571 1HB LEU 76 2HB LEU 76 -7.480 -7.959 1.680 572 2HB LEU 76 1HB LEU 76 -8.410 -9.343 2.217 573 HG LEU 76 HG LEU 76 -5.916 -10.167 2.950 574 1HD1 LEU 76 1HD1 LEU 76 -5.189 -7.748 2.107 575 2HD1 LEU 76 2HD1 LEU 76 -4.454 -8.462 3.540 576 3HD1 LEU 76 3HD1 LEU 76 -5.740 -7.266 3.708 577 1HD2 LEU 76 1HD2 LEU 76 -7.670 -8.302 4.580 578 2HD2 LEU 76 2HD2 LEU 76 -6.481 -9.431 5.229 579 3HD2 LEU 76 3HD2 LEU 76 -7.918 -10.040 4.407 580 H LYS 77 H LYS 77 -9.228 -9.894 -0.469 581 HA LYS 77 HA LYS 77 -10.158 -12.445 0.412 582 1HB LYS 77 2HB LYS 77 -11.504 -10.421 -0.430 583 2HB LYS 77 1HB LYS 77 -11.049 -10.941 -2.057 584 1HG LYS 77 2HG LYS 77 -13.083 -12.051 -1.764 585 2HG LYS 77 1HG LYS 77 -11.913 -13.273 -1.274 586 1HD LYS 77 2HD LYS 77 -12.297 -12.025 1.127 587 2HD LYS 77 1HD LYS 77 -13.869 -11.743 0.386 588 1HE LYS 77 2HE LYS 77 -13.888 -14.260 -0.149 589 2HE LYS 77 1HE LYS 77 -12.511 -14.396 0.950 590 1HZ LYS 77 1HZ LYS 77 -14.521 -14.805 2.156 591 2HZ LYS 77 2HZ LYS 77 -15.219 -13.360 1.602 592 3HZ LYS 77 3HZ LYS 77 -13.895 -13.314 2.664 593 H LEU 78 H LEU 78 -8.801 -11.304 -2.687 594 HA LEU 78 HA LEU 78 -9.033 -13.761 -4.072 595 1HB LEU 78 2HB LEU 78 -7.406 -11.272 -4.351 596 2HB LEU 78 1HB LEU 78 -6.785 -12.688 -5.212 597 HG LEU 78 HG LEU 78 -8.998 -12.993 -6.288 598 1HD1 LEU 78 1HD1 LEU 78 -9.668 -10.582 -4.592 599 2HD1 LEU 78 2HD1 LEU 78 -10.542 -12.108 -4.731 600 3HD1 LEU 78 3HD1 LEU 78 -10.575 -10.950 -6.060 601 1HD2 LEU 78 1HD2 LEU 78 -7.106 -11.377 -7.141 602 2HD2 LEU 78 2HD2 LEU 78 -8.232 -10.098 -6.698 603 3HD2 LEU 78 3HD2 LEU 78 -8.695 -11.301 -7.899 604 H ALA 79 H ALA 79 -6.660 -12.616 -1.765 605 HA ALA 79 HA ALA 79 -4.736 -14.711 -2.137 606 1HB ALA 79 1HB ALA 79 -3.832 -13.997 -0.034 607 2HB ALA 79 2HB ALA 79 -5.382 -13.355 0.496 608 3HB ALA 79 3HB ALA 79 -4.484 -12.541 -0.781 609 H ASN 80 H ASN 80 -7.445 -14.334 0.156 610 HA ASN 80 HA ASN 80 -7.116 -16.995 1.236 611 1HB ASN 80 2HB ASN 80 -8.286 -14.797 2.216 612 2HB ASN 80 1HB ASN 80 -9.729 -15.544 1.527 613 1HD2 ASN 80 1HD2 ASN 80 -6.829 -16.647 3.359 614 2HD2 ASN 80 2HD2 ASN 80 -7.679 -17.669 4.378 615 H GLU 81 H GLU 81 -8.610 -15.878 -1.655 616 HA GLU 81 HA GLU 81 -10.528 -18.148 -1.725 617 1HB GLU 81 2HB GLU 81 -10.016 -15.768 -3.498 618 2HB GLU 81 1HB GLU 81 -11.000 -17.114 -4.064 619 1HG GLU 81 2HG GLU 81 -12.489 -16.858 -2.130 620 2HG GLU 81 1HG GLU 81 -11.494 -15.537 -1.525 621 H GLY 82 H GLY 82 -7.296 -17.561 -2.595 622 1HA GLY 82 2HA GLY 82 -5.872 -19.309 -3.442 623 2HA GLY 82 1HA GLY 82 -7.274 -20.088 -4.164 624 H LYS 83 H LYS 83 -7.094 -16.694 -4.664 625 HA LYS 83 HA LYS 83 -6.382 -17.180 -7.521 626 1HB LYS 83 2HB LYS 83 -7.279 -14.512 -6.475 627 2HB LYS 83 1HB LYS 83 -7.514 -15.216 -8.062 628 1HG LYS 83 2HG LYS 83 -8.902 -16.043 -5.526 629 2HG LYS 83 1HG LYS 83 -9.615 -15.195 -6.886 630 1HD LYS 83 2HD LYS 83 -8.963 -17.158 -8.345 631 2HD LYS 83 1HD LYS 83 -8.522 -18.021 -6.876 632 1HE LYS 83 2HE LYS 83 -10.730 -18.257 -6.192 633 2HE LYS 83 1HE LYS 83 -11.260 -16.790 -7.011 634 1HZ LYS 83 1HZ LYS 83 -10.874 -17.961 -9.140 635 2HZ LYS 83 2HZ LYS 83 -12.104 -18.653 -8.194 636 3HZ LYS 83 3HZ LYS 83 -10.572 -19.386 -8.270 637 H VAL 84 H VAL 84 -4.158 -17.524 -6.796 638 HA VAL 84 HA VAL 84 -2.579 -15.378 -5.666 639 HB VAL 84 HB VAL 84 -1.590 -17.800 -7.197 640 1HG1 VAL 84 1HG1 VAL 84 -0.344 -15.894 -5.204 641 2HG1 VAL 84 2HG1 VAL 84 0.175 -16.217 -6.857 642 3HG1 VAL 84 3HG1 VAL 84 0.371 -17.452 -5.613 643 1HG2 VAL 84 1HG2 VAL 84 -2.905 -18.763 -5.510 644 2HG2 VAL 84 2HG2 VAL 84 -2.576 -17.459 -4.373 645 3HG2 VAL 84 3HG2 VAL 84 -1.326 -18.650 -4.733 646 H LYS 85 H LYS 85 -2.521 -16.839 -8.939 647 HA LYS 85 HA LYS 85 -0.866 -14.946 -10.164 648 1HB LYS 85 2HB LYS 85 -3.318 -16.336 -11.298 649 2HB LYS 85 1HB LYS 85 -2.171 -15.423 -12.273 650 1HG LYS 85 2HG LYS 85 -1.131 -17.461 -12.514 651 2HG LYS 85 1HG LYS 85 -0.440 -17.082 -10.942 652 1HD LYS 85 2HD LYS 85 -2.524 -18.242 -9.945 653 2HD LYS 85 1HD LYS 85 -2.810 -18.856 -11.567 654 1HE LYS 85 2HE LYS 85 -0.154 -19.220 -10.159 655 2HE LYS 85 1HE LYS 85 -1.473 -20.375 -10.000 656 1HZ LYS 85 1HZ LYS 85 -0.471 -21.253 -11.804 657 2HZ LYS 85 2HZ LYS 85 0.200 -19.775 -12.308 658 3HZ LYS 85 3HZ LYS 85 -1.434 -20.121 -12.620 659 H GLU 86 H GLU 86 -4.282 -14.705 -9.329 660 HA GLU 86 HA GLU 86 -4.715 -12.147 -10.615 661 1HB GLU 86 2HB GLU 86 -6.231 -13.380 -8.291 662 2HB GLU 86 1HB GLU 86 -6.783 -12.072 -9.333 663 1HG GLU 86 2HG GLU 86 -7.821 -14.125 -10.109 664 2HG GLU 86 1HG GLU 86 -6.640 -13.600 -11.305 665 H ALA 87 H ALA 87 -4.088 -13.204 -7.252 666 HA ALA 87 HA ALA 87 -4.033 -10.552 -6.170 667 1HB ALA 87 1HB ALA 87 -4.150 -12.699 -4.832 668 2HB ALA 87 2HB ALA 87 -2.970 -11.536 -4.231 669 3HB ALA 87 3HB ALA 87 -2.435 -12.926 -5.173 670 H GLN 88 H GLN 88 -1.550 -12.653 -7.474 671 HA GLN 88 HA GLN 88 0.721 -10.989 -7.063 672 1HB GLN 88 2HB GLN 88 1.354 -13.118 -7.676 673 2HB GLN 88 1HB GLN 88 -0.064 -13.353 -8.677 674 1HG GLN 88 2HG GLN 88 0.901 -12.368 -10.554 675 2HG GLN 88 1HG GLN 88 2.083 -11.504 -9.590 676 1HE2 GLN 88 1HE2 GLN 88 1.366 -14.927 -9.017 677 2HE2 GLN 88 2HE2 GLN 88 2.848 -15.516 -9.547 678 H ALA 89 H ALA 89 -1.136 -11.498 -10.087 679 HA ALA 89 HA ALA 89 -0.054 -9.417 -11.604 680 1HB ALA 89 1HB ALA 89 -1.780 -11.104 -12.374 681 2HB ALA 89 2HB ALA 89 -2.082 -9.452 -12.915 682 3HB ALA 89 3HB ALA 89 -3.002 -10.120 -11.567 683 H ALA 90 H ALA 90 -2.569 -9.233 -9.094 684 HA ALA 90 HA ALA 90 -3.204 -6.449 -9.489 685 1HB ALA 90 1HB ALA 90 -4.496 -8.101 -8.031 686 2HB ALA 90 2HB ALA 90 -4.181 -6.537 -7.281 687 3HB ALA 90 3HB ALA 90 -3.205 -7.939 -6.841 688 H ALA 91 H ALA 91 -0.717 -8.189 -7.694 689 HA ALA 91 HA ALA 91 0.463 -6.197 -6.148 690 1HB ALA 91 1HB ALA 91 1.223 -8.656 -6.560 691 2HB ALA 91 2HB ALA 91 2.459 -7.446 -6.214 692 3HB ALA 91 3HB ALA 91 2.186 -7.978 -7.873 693 H GLU 92 H GLU 92 0.988 -6.778 -9.650 694 HA GLU 92 HA GLU 92 2.750 -4.552 -10.022 695 1HB GLU 92 2HB GLU 92 0.849 -5.896 -11.976 696 2HB GLU 92 1HB GLU 92 2.084 -4.724 -12.430 697 1HG GLU 92 2HG GLU 92 3.294 -6.678 -12.768 698 2HG GLU 92 1HG GLU 92 3.675 -6.401 -11.071 699 H GLN 93 H GLN 93 -0.731 -4.825 -9.721 700 HA GLN 93 HA GLN 93 -1.313 -2.175 -10.761 701 1HB GLN 93 2HB GLN 93 -2.956 -4.178 -10.419 702 2HB GLN 93 1HB GLN 93 -2.989 -3.696 -8.730 703 1HG GLN 93 2HG GLN 93 -3.472 -1.493 -10.692 704 2HG GLN 93 1HG GLN 93 -4.719 -2.730 -10.604 705 1HE2 GLN 93 1HE2 GLN 93 -2.692 -1.466 -7.892 706 2HE2 GLN 93 2HE2 GLN 93 -4.003 -0.877 -6.986 707 H LEU 94 H LEU 94 -0.720 -3.674 -7.621 708 HA LEU 94 HA LEU 94 -1.114 -1.337 -6.030 709 1HB LEU 94 2HB LEU 94 0.414 -3.904 -5.660 710 2HB LEU 94 1HB LEU 94 0.565 -2.617 -4.467 711 HG LEU 94 HG LEU 94 -1.974 -2.607 -4.325 712 1HD1 LEU 94 1HD1 LEU 94 -2.507 -3.754 -6.409 713 2HD1 LEU 94 2HD1 LEU 94 -3.059 -4.756 -5.068 714 3HD1 LEU 94 3HD1 LEU 94 -1.573 -5.156 -5.905 715 1HD2 LEU 94 1HD2 LEU 94 -0.825 -3.633 -2.522 716 2HD2 LEU 94 2HD2 LEU 94 -0.317 -4.998 -3.515 717 3HD2 LEU 94 3HD2 LEU 94 -2.000 -4.841 -3.035 718 H LYS 95 H LYS 95 1.735 -2.730 -7.625 719 HA LYS 95 HA LYS 95 3.676 -0.867 -6.726 720 1HB LYS 95 2HB LYS 95 3.423 -2.308 -9.390 721 2HB LYS 95 1HB LYS 95 4.861 -1.428 -8.872 722 1HG LYS 95 2HG LYS 95 4.428 -3.060 -6.683 723 2HG LYS 95 1HG LYS 95 3.842 -4.083 -7.986 724 1HD LYS 95 2HD LYS 95 6.196 -4.539 -7.644 725 2HD LYS 95 1HD LYS 95 6.007 -3.716 -9.190 726 1HE LYS 95 2HE LYS 95 7.103 -1.817 -8.455 727 2HE LYS 95 1HE LYS 95 6.473 -1.959 -6.812 728 1HZ LYS 95 1HZ LYS 95 8.953 -2.813 -7.828 729 2HZ LYS 95 2HZ LYS 95 8.093 -4.169 -7.274 730 3HZ LYS 95 3HZ LYS 95 8.388 -2.862 -6.230 731 H THR 96 H THR 96 1.371 -0.699 -9.432 732 HA THR 96 HA THR 96 2.317 1.837 -10.432 733 HB THR 96 HB THR 96 -0.511 0.778 -10.656 734 HG1 THR 96 1HG THR 96 0.235 -0.378 -12.429 735 1HG2 THR 96 1HG2 THR 96 1.236 2.528 -12.405 736 2HG2 THR 96 2HG2 THR 96 -0.190 3.035 -11.498 737 3HG2 THR 96 3HG2 THR 96 -0.361 1.937 -12.867 738 H THR 97 H THR 97 0.052 0.882 -7.905 739 HA THR 97 HA THR 97 -1.173 3.430 -7.531 740 HB THR 97 HB THR 97 -0.974 0.917 -6.045 741 HG1 THR 97 1HG THR 97 -2.848 2.941 -6.521 742 1HG2 THR 97 1HG2 THR 97 -1.701 1.958 -3.867 743 2HG2 THR 97 2HG2 THR 97 -1.161 3.511 -4.500 744 3HG2 THR 97 3HG2 THR 97 0.000 2.204 -4.256 745 H ILE 98 H ILE 98 1.790 1.952 -6.230 746 HA ILE 98 HA ILE 98 2.596 3.987 -4.462 747 HB ILE 98 HB ILE 98 4.435 2.455 -6.317 748 1HG1 ILE 98 2HG1 ILE 98 3.358 1.660 -3.592 749 2HG1 ILE 98 1HG1 ILE 98 2.861 0.948 -5.123 750 1HG2 ILE 98 1HG2 ILE 98 5.411 4.351 -4.982 751 2HG2 ILE 98 2HG2 ILE 98 6.088 2.779 -4.567 752 3HG2 ILE 98 3HG2 ILE 98 4.887 3.526 -3.515 753 1HD1 ILE 98 1HD1 ILE 98 5.307 0.381 -5.525 754 2HD1 ILE 98 2HD1 ILE 98 4.529 -0.513 -4.219 755 3HD1 ILE 98 3HD1 ILE 98 5.598 0.838 -3.846 756 H ARG 99 H ARG 99 2.726 3.795 -7.977 757 HA ARG 99 HA ARG 99 4.455 5.998 -8.436 758 1HB ARG 99 2HB ARG 99 3.450 4.364 -10.166 759 2HB ARG 99 1HB ARG 99 2.032 5.410 -10.147 760 1HG ARG 99 2HG ARG 99 3.239 6.407 -11.871 761 2HG ARG 99 1HG ARG 99 3.843 7.337 -10.499 762 1HD ARG 99 2HD ARG 99 5.673 5.472 -10.354 763 2HD ARG 99 1HD ARG 99 5.190 5.102 -12.009 764 HE ARG 99 HE ARG 99 5.727 7.937 -11.601 765 1HH1 ARG 99 1HH2 ARG 99 7.027 4.806 -12.227 766 2HH1 ARG 99 2HH2 ARG 99 8.431 5.406 -13.046 767 1HH2 ARG 99 1HH1 ARG 99 7.552 8.739 -12.666 768 2HH2 ARG 99 2HH1 ARG 99 8.727 7.634 -13.293 769 H ALA 100 H ALA 100 0.926 5.860 -7.989 770 HA ALA 100 HA ALA 100 0.472 8.684 -8.244 771 1HB ALA 100 1HB ALA 100 -1.699 8.247 -7.295 772 2HB ALA 100 2HB ALA 100 -1.135 6.749 -6.556 773 3HB ALA 100 3HB ALA 100 -1.292 6.862 -8.308 774 H TYR 101 H TYR 101 1.686 6.705 -5.643 775 HA TYR 101 HA TYR 101 1.182 8.676 -3.566 776 1HB TYR 101 2HB TYR 101 1.460 6.507 -2.717 777 2HB TYR 101 1HB TYR 101 2.808 6.165 -3.770 778 HD1 TYR 101 1HD TYR 101 5.054 6.819 -3.242 779 HD2 TYR 101 2HD TYR 101 1.781 7.892 -0.681 780 HE1 TYR 101 1HE TYR 101 6.656 7.482 -1.470 781 HE2 TYR 101 2HE TYR 101 3.386 8.558 1.087 782 HH TYR 101 HH TYR 101 5.995 7.743 1.584 783 H ASN 102 H ASN 102 3.760 7.972 -5.855 784 HA ASN 102 HA ASN 102 5.702 9.632 -4.596 785 1HB ASN 102 2HB ASN 102 6.780 8.305 -6.068 786 2HB ASN 102 1HB ASN 102 5.463 8.320 -7.240 787 1HD2 ASN 102 1HD2 ASN 102 6.919 11.314 -5.942 788 2HD2 ASN 102 2HD2 ASN 102 7.657 11.784 -7.398 789 H GLN 103 H GLN 103 3.234 10.453 -7.087 790 HA GLN 103 HA GLN 103 4.274 13.135 -7.362 791 1HB GLN 103 2HB GLN 103 2.258 13.699 -8.505 792 2HB GLN 103 1HB GLN 103 2.546 12.012 -8.914 793 1HG GLN 103 2HG GLN 103 0.272 12.014 -8.345 794 2HG GLN 103 1HG GLN 103 1.045 11.503 -6.854 795 1HE2 GLN 103 1HE2 GLN 103 0.654 12.736 -5.012 796 2HE2 GLN 103 2HE2 GLN 103 -0.091 14.259 -5.015 797 H LYS 104 H LYS 104 2.511 11.404 -5.009 798 HA LYS 104 HA LYS 104 1.616 13.798 -3.541 799 1HB LYS 104 2HB LYS 104 0.164 12.278 -2.678 800 2HB LYS 104 1HB LYS 104 1.011 10.978 -3.486 801 1HG LYS 104 2HG LYS 104 2.552 10.774 -1.594 802 2HG LYS 104 1HG LYS 104 1.789 12.135 -0.804 803 1HD LYS 104 2HD LYS 104 0.393 9.556 -1.535 804 2HD LYS 104 1HD LYS 104 1.000 9.967 0.062 805 1HE LYS 104 2HE LYS 104 -1.362 11.088 -1.406 806 2HE LYS 104 1HE LYS 104 -1.225 10.614 0.284 807 1HZ LYS 104 1HZ LYS 104 -1.252 12.914 0.350 808 2HZ LYS 104 2HZ LYS 104 -0.265 13.079 -1.023 809 3HZ LYS 104 3HZ LYS 104 0.402 12.555 0.450 810 H TYR 105 H TYR 105 4.310 11.496 -3.533 811 HA TYR 105 HA TYR 105 5.433 12.773 -1.134 812 1HB TYR 105 2HB TYR 105 6.197 10.678 -0.762 813 2HB TYR 105 1HB TYR 105 5.702 10.181 -2.365 814 HD1 TYR 105 1HD TYR 105 7.276 11.234 -4.287 815 HD2 TYR 105 2HD TYR 105 8.471 10.420 -0.257 816 HE1 TYR 105 1HE TYR 105 9.647 11.085 -5.028 817 HE2 TYR 105 2HE TYR 105 10.841 10.284 -0.978 818 HH TYR 105 HH TYR 105 11.867 11.289 -4.104 819 H GLY 106 H GLY 106 5.226 13.635 -4.217 820 1HA GLY 106 2HA GLY 106 7.629 15.327 -4.033 821 2HA GLY 106 1HA GLY 106 7.623 14.185 -5.379 Start of MODEL 7 1 1H ALA 1 1HT ALA 1 16.665 6.131 10.615 2 2H ALA 1 2HT ALA 1 16.260 4.481 10.596 3 3H ALA 1 3HT ALA 1 15.420 5.553 11.611 4 HA ALA 1 HA ALA 1 14.602 6.741 9.620 5 1HB ALA 1 1HB ALA 1 16.591 5.627 8.279 6 2HB ALA 1 2HB ALA 1 15.062 5.959 7.468 7 3HB ALA 1 3HB ALA 1 15.428 4.325 8.023 8 H ASP 2 H ASP 2 12.729 6.257 10.824 9 HA ASP 2 HA ASP 2 11.685 3.499 10.889 10 1HB ASP 2 2HB ASP 2 10.944 6.154 12.054 11 2HB ASP 2 1HB ASP 2 9.657 4.957 11.897 12 H LEU 3 H LEU 3 11.403 6.313 8.946 13 HA LEU 3 HA LEU 3 8.795 5.546 7.808 14 1HB LEU 3 2HB LEU 3 10.690 7.698 6.820 15 2HB LEU 3 1HB LEU 3 8.969 7.553 6.476 16 HG LEU 3 HG LEU 3 10.282 8.279 9.104 17 1HD1 LEU 3 1HD1 LEU 3 8.062 9.681 7.603 18 2HD1 LEU 3 2HD1 LEU 3 9.765 10.001 7.269 19 3HD1 LEU 3 3HD1 LEU 3 9.100 10.331 8.870 20 1HD2 LEU 3 1HD2 LEU 3 7.822 8.376 9.908 21 2HD2 LEU 3 2HD2 LEU 3 8.562 6.781 9.787 22 3HD2 LEU 3 3HD2 LEU 3 7.462 7.337 8.528 23 H GLU 4 H GLU 4 12.151 5.912 6.659 24 HA GLU 4 HA GLU 4 11.685 4.755 4.075 25 1HB GLU 4 2HB GLU 4 14.275 4.637 5.643 26 2HB GLU 4 1HB GLU 4 14.073 4.648 3.893 27 1HG GLU 4 2HG GLU 4 13.061 6.944 4.089 28 2HG GLU 4 1HG GLU 4 13.501 6.930 5.797 29 H ASP 5 H ASP 5 12.071 3.545 7.270 30 HA ASP 5 HA ASP 5 12.874 0.861 6.523 31 1HB ASP 5 2HB ASP 5 13.373 1.440 8.738 32 2HB ASP 5 1HB ASP 5 11.815 2.229 8.973 33 H ASN 6 H ASN 6 9.756 2.399 7.334 34 HA ASN 6 HA ASN 6 8.115 0.109 7.180 35 1HB ASN 6 2HB ASN 6 6.777 1.843 7.873 36 2HB ASN 6 1HB ASN 6 7.765 3.035 7.042 37 1HD2 ASN 6 1HD2 ASN 6 7.484 2.822 4.470 38 2HD2 ASN 6 2HD2 ASN 6 5.872 2.707 3.944 39 H TRP 7 H TRP 7 9.214 2.297 4.603 40 HA TRP 7 HA TRP 7 7.802 1.208 2.428 41 1HB TRP 7 2HB TRP 7 10.447 2.605 2.717 42 2HB TRP 7 1HB TRP 7 10.076 1.860 1.163 43 HD1 TRP 7 HD TRP 7 8.601 4.419 3.638 44 HE1 TRP 7 1HE TRP 7 7.153 6.087 2.306 45 HE3 TRP 7 3HE TRP 7 8.868 2.304 -1.003 46 HZ2 TRP 7 2HZ TRP 7 6.238 6.474 -0.376 47 HZ3 TRP 7 3HZ TRP 7 7.701 3.342 -2.927 48 HH2 TRP 7 HH TRP 7 6.387 5.423 -2.617 49 H GLU 8 H GLU 8 10.986 0.144 3.712 50 HA GLU 8 HA GLU 8 11.377 -1.924 1.844 51 1HB GLU 8 2HB GLU 8 12.998 -1.117 3.664 52 2HB GLU 8 1HB GLU 8 12.079 -2.130 4.778 53 1HG GLU 8 2HG GLU 8 12.420 -4.004 3.054 54 2HG GLU 8 1HG GLU 8 13.681 -2.979 2.371 55 H THR 9 H THR 9 9.346 -1.716 4.720 56 HA THR 9 HA THR 9 8.714 -4.526 4.791 57 HB THR 9 HB THR 9 6.864 -2.336 5.753 58 HG1 THR 9 1HG THR 9 8.572 -3.277 7.618 59 1HG2 THR 9 1HG2 THR 9 7.517 -5.068 6.893 60 2HG2 THR 9 2HG2 THR 9 6.148 -4.741 5.831 61 3HG2 THR 9 3HG2 THR 9 6.231 -3.978 7.418 62 H LEU 10 H LEU 10 6.962 -1.701 3.507 63 HA LEU 10 HA LEU 10 4.860 -3.187 2.269 64 1HB LEU 10 2HB LEU 10 6.147 -0.641 1.248 65 2HB LEU 10 1HB LEU 10 4.553 -1.236 0.813 66 HG LEU 10 HG LEU 10 5.471 -0.156 3.488 67 1HD1 LEU 10 1HD1 LEU 10 3.269 0.607 1.549 68 2HD1 LEU 10 2HD1 LEU 10 4.761 1.501 1.834 69 3HD1 LEU 10 3HD1 LEU 10 3.550 1.377 3.110 70 1HD2 LEU 10 1HD2 LEU 10 3.036 -1.803 2.774 71 2HD2 LEU 10 2HD2 LEU 10 2.998 -0.653 4.110 72 3HD2 LEU 10 3HD2 LEU 10 4.133 -2.001 4.144 73 H ASN 11 H ASN 11 8.111 -2.280 1.240 74 HA ASN 11 HA ASN 11 7.846 -3.357 -1.430 75 1HB ASN 11 2HB ASN 11 9.664 -1.732 -0.530 76 2HB ASN 11 1HB ASN 11 10.477 -3.186 0.057 77 1HD2 ASN 11 1HD2 ASN 11 8.992 -1.884 -2.972 78 2HD2 ASN 11 2HD2 ASN 11 10.083 -2.652 -4.021 79 H ASP 12 H ASP 12 9.397 -4.624 1.525 80 HA ASP 12 HA ASP 12 10.025 -7.196 0.467 81 1HB ASP 12 2HB ASP 12 11.074 -6.482 2.512 82 2HB ASP 12 1HB ASP 12 9.515 -6.253 3.303 83 H ASN 13 H ASN 13 7.000 -5.817 1.304 84 HA ASN 13 HA ASN 13 5.622 -8.280 1.997 85 1HB ASN 13 2HB ASN 13 4.994 -5.425 1.639 86 2HB ASN 13 1HB ASN 13 3.747 -6.445 0.972 87 1HD2 ASN 13 1HD2 ASN 13 3.755 -4.671 3.416 88 2HD2 ASN 13 2HD2 ASN 13 3.253 -5.679 4.693 89 H LEU 14 H LEU 14 5.733 -6.175 -0.871 90 HA LEU 14 HA LEU 14 4.143 -7.708 -2.613 91 1HB LEU 14 2HB LEU 14 6.478 -5.862 -3.119 92 2HB LEU 14 1HB LEU 14 5.502 -6.536 -4.423 93 HG LEU 14 HG LEU 14 4.078 -5.184 -2.139 94 1HD1 LEU 14 1HD1 LEU 14 4.281 -3.009 -3.378 95 2HD1 LEU 14 2HD1 LEU 14 5.531 -3.751 -4.380 96 3HD1 LEU 14 3HD1 LEU 14 5.791 -3.554 -2.647 97 1HD2 LEU 14 1HD2 LEU 14 3.607 -5.224 -5.137 98 2HD2 LEU 14 2HD2 LEU 14 2.496 -4.626 -3.909 99 3HD2 LEU 14 3HD2 LEU 14 2.865 -6.351 -3.999 100 H LYS 15 H LYS 15 7.567 -8.077 -1.824 101 HA LYS 15 HA LYS 15 8.153 -9.874 -3.993 102 1HB LYS 15 2HB LYS 15 9.912 -8.712 -2.684 103 2HB LYS 15 1HB LYS 15 9.458 -9.646 -1.264 104 1HG LYS 15 2HG LYS 15 9.888 -11.701 -3.027 105 2HG LYS 15 1HG LYS 15 10.988 -10.498 -3.692 106 1HD LYS 15 2HD LYS 15 12.359 -11.581 -2.138 107 2HD LYS 15 1HD LYS 15 11.775 -10.208 -1.197 108 1HE LYS 15 2HE LYS 15 11.537 -12.184 0.175 109 2HE LYS 15 1HE LYS 15 9.921 -11.703 -0.334 110 1HZ LYS 15 1HZ LYS 15 9.675 -13.698 -1.216 111 2HZ LYS 15 2HZ LYS 15 11.272 -14.122 -0.824 112 3HZ LYS 15 3HZ LYS 15 10.933 -13.370 -2.308 113 H VAL 16 H VAL 16 7.273 -10.422 -0.571 114 HA VAL 16 HA VAL 16 7.359 -13.241 -0.660 115 HB VAL 16 HB VAL 16 5.608 -11.364 0.954 116 1HG1 VAL 16 1HG1 VAL 16 4.415 -13.454 0.896 117 2HG1 VAL 16 2HG1 VAL 16 5.281 -13.406 2.429 118 3HG1 VAL 16 3HG1 VAL 16 5.902 -14.376 1.094 119 1HG2 VAL 16 1HG2 VAL 16 8.087 -13.006 1.578 120 2HG2 VAL 16 2HG2 VAL 16 7.178 -12.075 2.768 121 3HG2 VAL 16 3HG2 VAL 16 8.007 -11.249 1.450 122 H ILE 17 H ILE 17 4.991 -11.046 -2.043 123 HA ILE 17 HA ILE 17 2.886 -13.024 -2.339 124 HB ILE 17 HB ILE 17 3.261 -10.623 -4.144 125 1HG1 ILE 17 2HG1 ILE 17 2.215 -10.730 -1.307 126 2HG1 ILE 17 1HG1 ILE 17 3.610 -9.848 -1.903 127 1HG2 ILE 17 1HG2 ILE 17 1.424 -12.321 -4.559 128 2HG2 ILE 17 2HG2 ILE 17 0.841 -10.686 -4.250 129 3HG2 ILE 17 3HG2 ILE 17 0.773 -11.901 -2.977 130 1HD1 ILE 17 1HD1 ILE 17 1.962 -8.179 -1.838 131 2HD1 ILE 17 2HD1 ILE 17 0.695 -9.287 -2.362 132 3HD1 ILE 17 3HD1 ILE 17 1.894 -8.706 -3.520 133 H GLU 18 H GLU 18 4.690 -11.477 -5.017 134 HA GLU 18 HA GLU 18 4.161 -13.384 -6.969 135 1HB GLU 18 2HB GLU 18 6.956 -12.298 -6.873 136 2HB GLU 18 1HB GLU 18 5.825 -12.372 -8.226 137 1HG GLU 18 2HG GLU 18 4.432 -10.671 -6.755 138 2HG GLU 18 1HG GLU 18 5.984 -10.366 -5.990 139 H LYS 19 H LYS 19 6.315 -13.615 -4.263 140 HA LYS 19 HA LYS 19 7.341 -16.237 -5.249 141 1HB LYS 19 2HB LYS 19 8.416 -14.119 -3.500 142 2HB LYS 19 1HB LYS 19 8.642 -15.730 -2.833 143 1HG LYS 19 2HG LYS 19 10.567 -15.198 -4.197 144 2HG LYS 19 1HG LYS 19 9.622 -16.421 -5.030 145 1HD LYS 19 2HD LYS 19 10.077 -14.887 -6.749 146 2HD LYS 19 1HD LYS 19 8.458 -14.429 -6.236 147 1HE LYS 19 2HE LYS 19 9.198 -12.477 -5.191 148 2HE LYS 19 1HE LYS 19 10.828 -13.092 -4.947 149 1HZ LYS 19 1HZ LYS 19 10.358 -11.379 -6.815 150 2HZ LYS 19 2HZ LYS 19 9.816 -12.737 -7.682 151 3HZ LYS 19 3HZ LYS 19 11.414 -12.672 -7.108 152 H ALA 20 H ALA 20 4.803 -15.077 -3.401 153 HA ALA 20 HA ALA 20 4.751 -16.852 -1.170 154 1HB ALA 20 1HB ALA 20 2.156 -16.710 -1.589 155 2HB ALA 20 2HB ALA 20 2.592 -15.514 -2.793 156 3HB ALA 20 3HB ALA 20 3.026 -15.256 -1.105 157 H ASP 21 H ASP 21 3.310 -17.207 -4.380 158 HA ASP 21 HA ASP 21 2.883 -19.064 -5.693 159 1HB ASP 21 2HB ASP 21 4.773 -20.540 -3.846 160 2HB ASP 21 1HB ASP 21 4.304 -20.997 -5.479 161 H ASN 22 H ASN 22 1.818 -18.856 -2.543 162 HA ASN 22 HA ASN 22 -0.115 -21.035 -3.085 163 1HB ASN 22 2HB ASN 22 0.976 -20.885 -0.280 164 2HB ASN 22 1HB ASN 22 0.137 -22.213 -1.086 165 1HD2 ASN 22 1HD2 ASN 22 3.038 -20.251 -1.757 166 2HD2 ASN 22 2HD2 ASN 22 4.036 -21.574 -2.084 167 H ALA 23 H ALA 23 -2.133 -20.602 -2.249 168 HA ALA 23 HA ALA 23 -2.867 -17.922 -1.770 169 1HB ALA 23 1HB ALA 23 -4.442 -20.241 -0.670 170 2HB ALA 23 2HB ALA 23 -4.327 -19.957 -2.405 171 3HB ALA 23 3HB ALA 23 -5.033 -18.727 -1.354 172 H ALA 24 H ALA 24 -1.499 -20.220 0.434 173 HA ALA 24 HA ALA 24 -2.583 -19.079 2.861 174 1HB ALA 24 1HB ALA 24 -1.496 -21.379 2.582 175 2HB ALA 24 2HB ALA 24 -1.019 -20.466 4.013 176 3HB ALA 24 3HB ALA 24 0.056 -20.539 2.617 177 H GLN 25 H GLN 25 0.723 -18.845 1.515 178 HA GLN 25 HA GLN 25 1.605 -16.846 3.317 179 1HB GLN 25 2HB GLN 25 2.776 -17.052 0.567 180 2HB GLN 25 1HB GLN 25 3.582 -16.870 2.113 181 1HG GLN 25 2HG GLN 25 2.690 -19.227 2.658 182 2HG GLN 25 1HG GLN 25 2.343 -19.355 0.932 183 1HE2 GLN 25 1HE2 GLN 25 4.228 -19.001 -0.554 184 2HE2 GLN 25 2HE2 GLN 25 5.776 -19.466 -0.035 185 H VAL 26 H VAL 26 -0.404 -16.563 0.533 186 HA VAL 26 HA VAL 26 0.298 -13.824 -0.114 187 HB VAL 26 HB VAL 26 -2.325 -15.251 -0.655 188 1HG1 VAL 26 1HG1 VAL 26 -2.811 -13.518 -2.204 189 2HG1 VAL 26 2HG1 VAL 26 -1.152 -12.937 -2.210 190 3HG1 VAL 26 3HG1 VAL 26 -2.174 -12.648 -0.817 191 1HG2 VAL 26 1HG2 VAL 26 -1.430 -15.941 -2.735 192 2HG2 VAL 26 2HG2 VAL 26 -0.113 -16.235 -1.611 193 3HG2 VAL 26 3HG2 VAL 26 -0.083 -14.809 -2.636 194 H LYS 27 H LYS 27 -2.371 -15.276 1.855 195 HA LYS 27 HA LYS 27 -3.528 -12.802 2.616 196 1HB LYS 27 2HB LYS 27 -3.149 -15.275 4.339 197 2HB LYS 27 1HB LYS 27 -4.244 -13.954 4.697 198 1HG LYS 27 2HG LYS 27 -5.868 -14.892 3.411 199 2HG LYS 27 1HG LYS 27 -4.813 -14.894 2.012 200 1HD LYS 27 2HD LYS 27 -5.430 -17.188 2.424 201 2HD LYS 27 1HD LYS 27 -3.747 -17.000 2.900 202 1HE LYS 27 2HE LYS 27 -4.197 -17.268 5.132 203 2HE LYS 27 1HE LYS 27 -5.796 -16.530 5.026 204 1HZ LYS 27 1HZ LYS 27 -6.717 -18.510 4.792 205 2HZ LYS 27 2HZ LYS 27 -5.203 -19.230 5.064 206 3HZ LYS 27 3HZ LYS 27 -5.714 -18.894 3.479 207 H ASP 28 H ASP 28 -1.057 -14.768 4.143 208 HA ASP 28 HA ASP 28 -0.352 -13.135 6.293 209 1HB ASP 28 2HB ASP 28 1.534 -14.751 4.545 210 2HB ASP 28 1HB ASP 28 1.816 -14.286 6.223 211 H ALA 29 H ALA 29 0.679 -12.944 2.907 212 HA ALA 29 HA ALA 29 2.651 -10.905 3.333 213 1HB ALA 29 1HB ALA 29 1.105 -11.295 0.765 214 2HB ALA 29 2HB ALA 29 2.374 -12.408 1.270 215 3HB ALA 29 3HB ALA 29 2.758 -10.715 0.967 216 H LEU 30 H LEU 30 -0.541 -10.579 1.720 217 HA LEU 30 HA LEU 30 -0.554 -7.746 1.857 218 1HB LEU 30 2HB LEU 30 -2.783 -9.763 1.604 219 2HB LEU 30 1HB LEU 30 -3.088 -8.030 1.576 220 HG LEU 30 HG LEU 30 -0.985 -9.172 -0.261 221 1HD1 LEU 30 1HD1 LEU 30 -2.631 -9.610 -1.981 222 2HD1 LEU 30 2HD1 LEU 30 -3.938 -9.038 -0.943 223 3HD1 LEU 30 3HD1 LEU 30 -3.084 -10.528 -0.552 224 1HD2 LEU 30 1HD2 LEU 30 -1.344 -7.205 -1.503 225 2HD2 LEU 30 2HD2 LEU 30 -1.564 -6.638 0.149 226 3HD2 LEU 30 3HD2 LEU 30 -2.967 -6.972 -0.858 227 H THR 31 H THR 31 -1.328 -10.132 4.273 228 HA THR 31 HA THR 31 -2.980 -8.570 6.005 229 HB THR 31 HB THR 31 -0.845 -10.625 6.683 230 HG1 THR 31 1HG THR 31 -3.633 -11.016 6.744 231 1HG2 THR 31 1HG2 THR 31 -1.317 -9.359 8.668 232 2HG2 THR 31 2HG2 THR 31 -2.243 -10.856 8.798 233 3HG2 THR 31 3HG2 THR 31 -3.049 -9.361 8.330 234 H LYS 32 H LYS 32 0.500 -8.864 5.628 235 HA LYS 32 HA LYS 32 1.182 -7.037 7.757 236 1HB LYS 32 2HB LYS 32 2.616 -8.321 5.446 237 2HB LYS 32 1HB LYS 32 3.434 -7.105 6.433 238 1HG LYS 32 2HG LYS 32 2.881 -8.479 8.462 239 2HG LYS 32 1HG LYS 32 2.200 -9.704 7.397 240 1HD LYS 32 2HD LYS 32 4.284 -10.621 7.259 241 2HD LYS 32 1HD LYS 32 4.767 -9.216 6.313 242 1HE LYS 32 2HE LYS 32 5.071 -9.664 9.287 243 2HE LYS 32 1HE LYS 32 6.330 -9.329 8.098 244 1HZ LYS 32 1HZ LYS 32 4.914 -7.504 9.643 245 2HZ LYS 32 2HZ LYS 32 4.415 -7.270 8.037 246 3HZ LYS 32 3HZ LYS 32 6.062 -7.175 8.438 247 H MET 33 H MET 33 0.529 -6.715 4.290 248 HA MET 33 HA MET 33 1.540 -4.022 3.989 249 1HB MET 33 2HB MET 33 -0.631 -5.531 2.521 250 2HB MET 33 1HB MET 33 -0.042 -3.946 2.028 251 1HG MET 33 2HG MET 33 2.279 -4.943 1.943 252 2HG MET 33 1HG MET 33 1.530 -6.523 2.161 253 1HE MET 33 1HE MET 33 1.848 -3.980 -1.554 254 2HE MET 33 2HE MET 33 2.878 -4.095 -0.132 255 3HE MET 33 3HE MET 33 1.352 -3.221 -0.038 256 H ARG 34 H ARG 34 -1.832 -5.106 3.964 257 HA ARG 34 HA ARG 34 -3.099 -2.681 4.404 258 1HB ARG 34 2HB ARG 34 -4.129 -5.024 4.066 259 2HB ARG 34 1HB ARG 34 -3.980 -5.224 5.806 260 1HG ARG 34 2HG ARG 34 -5.692 -3.746 6.275 261 2HG ARG 34 1HG ARG 34 -5.305 -2.689 4.928 262 1HD ARG 34 2HD ARG 34 -6.242 -4.560 3.412 263 2HD ARG 34 1HD ARG 34 -6.926 -5.238 4.881 264 HE ARG 34 HE ARG 34 -7.810 -2.813 3.528 265 1HH1 ARG 34 1HH2 ARG 34 -7.574 -4.579 6.466 266 2HH1 ARG 34 2HH2 ARG 34 -9.007 -3.894 7.160 267 1HH2 ARG 34 1HH1 ARG 34 -9.703 -1.894 4.413 268 2HH2 ARG 34 2HH1 ARG 34 -10.200 -2.362 6.005 269 H ALA 35 H ALA 35 -1.247 -4.593 6.622 270 HA ALA 35 HA ALA 35 -2.136 -3.195 9.025 271 1HB ALA 35 1HB ALA 35 -1.077 -5.500 9.005 272 2HB ALA 35 2HB ALA 35 -0.363 -4.372 10.157 273 3HB ALA 35 3HB ALA 35 0.456 -4.717 8.634 274 H ALA 36 H ALA 36 1.096 -3.230 7.429 275 HA ALA 36 HA ALA 36 1.907 -0.773 8.680 276 1HB ALA 36 1HB ALA 36 3.643 -0.791 6.746 277 2HB ALA 36 2HB ALA 36 2.924 -2.342 6.314 278 3HB ALA 36 3HB ALA 36 3.672 -2.130 7.895 279 H ALA 37 H ALA 37 0.088 -1.443 5.754 280 HA ALA 37 HA ALA 37 0.462 1.038 4.419 281 1HB ALA 37 1HB ALA 37 -0.827 -1.061 3.618 282 2HB ALA 37 2HB ALA 37 -1.484 0.512 3.174 283 3HB ALA 37 3HB ALA 37 -2.197 -0.398 4.507 284 H LEU 38 H LEU 38 -1.797 0.085 6.994 285 HA LEU 38 HA LEU 38 -3.153 2.617 7.140 286 1HB LEU 38 2HB LEU 38 -2.701 0.492 9.258 287 2HB LEU 38 1HB LEU 38 -3.810 1.848 9.431 288 HG LEU 38 HG LEU 38 -4.028 -0.014 7.061 289 1HD1 LEU 38 1HD1 LEU 38 -4.092 -1.480 9.007 290 2HD1 LEU 38 2HD1 LEU 38 -5.726 -1.297 8.368 291 3HD1 LEU 38 3HD1 LEU 38 -5.239 -0.410 9.812 292 1HD2 LEU 38 1HD2 LEU 38 -6.466 0.665 7.332 293 2HD2 LEU 38 2HD2 LEU 38 -5.379 1.974 6.881 294 3HD2 LEU 38 3HD2 LEU 38 -5.936 1.822 8.548 295 H ASP 39 H ASP 39 -0.132 1.384 8.457 296 HA ASP 39 HA ASP 39 0.202 3.707 10.233 297 1HB ASP 39 2HB ASP 39 1.193 1.590 10.918 298 2HB ASP 39 1HB ASP 39 2.102 1.487 9.410 299 H ALA 40 H ALA 40 1.332 2.644 7.049 300 HA ALA 40 HA ALA 40 3.337 4.581 6.602 301 1HB ALA 40 1HB ALA 40 1.295 3.554 4.601 302 2HB ALA 40 2HB ALA 40 2.804 2.741 5.014 303 3HB ALA 40 3HB ALA 40 2.839 4.308 4.204 304 H GLN 41 H GLN 41 -0.120 4.874 6.781 305 HA GLN 41 HA GLN 41 -0.630 7.277 5.438 306 1HB GLN 41 2HB GLN 41 -2.404 5.945 6.448 307 2HB GLN 41 1HB GLN 41 -1.761 6.242 8.059 308 1HG GLN 41 2HG GLN 41 -2.389 8.666 6.420 309 2HG GLN 41 1HG GLN 41 -3.770 7.734 6.994 310 1HE2 GLN 41 1HE2 GLN 41 -1.026 9.712 8.027 311 2HE2 GLN 41 2HE2 GLN 41 -1.496 9.840 9.655 312 H LYS 42 H LYS 42 0.540 6.842 8.791 313 HA LYS 42 HA LYS 42 0.706 9.664 9.360 314 1HB LYS 42 2HB LYS 42 2.137 7.305 10.611 315 2HB LYS 42 1HB LYS 42 2.235 8.952 11.213 316 1HG LYS 42 2HG LYS 42 0.549 7.910 12.514 317 2HG LYS 42 1HG LYS 42 -0.295 8.948 11.373 318 1HD LYS 42 2HD LYS 42 -1.257 7.174 10.260 319 2HD LYS 42 1HD LYS 42 0.166 6.159 10.416 320 1HE LYS 42 2HE LYS 42 -0.396 5.784 12.813 321 2HE LYS 42 1HE LYS 42 -1.863 6.739 12.597 322 1HZ LYS 42 1HZ LYS 42 -1.338 4.493 10.779 323 2HZ LYS 42 2HZ LYS 42 -2.823 5.143 11.291 324 3HZ LYS 42 3HZ LYS 42 -1.913 4.163 12.339 325 H ALA 43 H ALA 43 2.364 8.031 7.050 326 HA ALA 43 HA ALA 43 5.041 9.104 7.583 327 1HB ALA 43 1HB ALA 43 4.053 8.063 4.924 328 2HB ALA 43 2HB ALA 43 4.486 6.972 6.240 329 3HB ALA 43 3HB ALA 43 5.699 8.058 5.560 330 H THR 44 H THR 44 5.976 10.910 6.560 331 HA THR 44 HA THR 44 4.421 12.399 4.555 332 HB THR 44 HB THR 44 5.194 13.897 7.062 333 HG1 THR 44 1HG THR 44 2.610 13.463 7.057 334 1HG2 THR 44 1HG2 THR 44 2.900 14.429 5.181 335 2HG2 THR 44 2HG2 THR 44 4.535 14.954 4.778 336 3HG2 THR 44 3HG2 THR 44 3.748 15.558 6.236 337 HA PRO 45 HA PRO 45 9.112 12.502 4.302 338 1HB PRO 45 2HB PRO 45 8.512 12.054 1.427 339 2HB PRO 45 1HB PRO 45 9.664 11.222 2.478 340 1HG PRO 45 2HG PRO 45 7.333 10.094 1.659 341 2HG PRO 45 1HG PRO 45 8.121 9.697 3.191 342 1HD PRO 45 2HD PRO 45 5.674 11.330 2.720 343 2HD PRO 45 1HD PRO 45 6.132 10.369 4.131 344 HA PRO 46 HA PRO 46 8.491 16.174 1.315 345 1HB PRO 46 2HB PRO 46 6.097 16.803 0.276 346 2HB PRO 46 1HB PRO 46 7.047 15.452 -0.379 347 1HG PRO 46 2HG PRO 46 4.732 15.390 1.511 348 2HG PRO 46 1HG PRO 46 5.060 14.361 0.107 349 1HD PRO 46 2HD PRO 46 5.619 13.637 2.710 350 2HD PRO 46 1HD PRO 46 6.451 12.954 1.302 351 H LYS 47 H LYS 47 6.270 15.586 3.859 352 HA LYS 47 HA LYS 47 5.614 16.901 5.667 353 1HB LYS 47 2HB LYS 47 7.126 19.219 4.425 354 2HB LYS 47 1HB LYS 47 6.591 19.046 6.083 355 1HG LYS 47 2HG LYS 47 8.154 17.352 6.563 356 2HG LYS 47 1HG LYS 47 8.463 17.030 4.859 357 1HD LYS 47 2HD LYS 47 10.318 18.297 5.919 358 2HD LYS 47 1HD LYS 47 9.565 19.197 4.609 359 1HE LYS 47 2HE LYS 47 8.662 20.777 6.039 360 2HE LYS 47 1HE LYS 47 8.455 19.626 7.358 361 1HZ LYS 47 1HZ LYS 47 10.600 19.861 8.036 362 2HZ LYS 47 2HZ LYS 47 10.310 21.429 7.450 363 3HZ LYS 47 3HZ LYS 47 11.173 20.311 6.504 364 H LEU 48 H LEU 48 3.485 17.184 5.539 365 HA LEU 48 HA LEU 48 2.296 18.702 3.333 366 1HB LEU 48 2HB LEU 48 1.478 16.487 4.665 367 2HB LEU 48 1HB LEU 48 0.634 17.695 5.627 368 HG LEU 48 HG LEU 48 0.492 17.565 2.613 369 1HD1 LEU 48 1HD1 LEU 48 -1.814 16.600 3.062 370 2HD1 LEU 48 2HD1 LEU 48 -1.296 16.348 4.729 371 3HD1 LEU 48 3HD1 LEU 48 -0.469 15.515 3.413 372 1HD2 LEU 48 1HD2 LEU 48 -1.612 18.909 3.078 373 2HD2 LEU 48 2HD2 LEU 48 -0.097 19.738 3.443 374 3HD2 LEU 48 3HD2 LEU 48 -1.061 19.046 4.747 375 H GLU 49 H GLU 49 2.380 18.924 6.904 376 HA GLU 49 HA GLU 49 0.950 21.424 6.963 377 1HB GLU 49 2HB GLU 49 2.885 20.304 9.016 378 2HB GLU 49 1HB GLU 49 1.685 21.566 9.296 379 1HG GLU 49 2HG GLU 49 1.114 18.683 8.536 380 2HG GLU 49 1HG GLU 49 0.825 19.424 10.109 381 H ASP 50 H ASP 50 2.988 21.548 4.987 382 HA ASP 50 HA ASP 50 4.490 23.892 6.015 383 1HB ASP 50 2HB ASP 50 5.817 21.627 6.147 384 2HB ASP 50 1HB ASP 50 5.979 21.825 4.406 385 H LYS 51 H LYS 51 4.639 21.889 3.073 386 HA LYS 51 HA LYS 51 4.728 24.168 1.348 387 1HB LYS 51 2HB LYS 51 4.448 22.542 -0.454 388 2HB LYS 51 1HB LYS 51 5.567 21.919 0.739 389 1HG LYS 51 2HG LYS 51 3.937 20.472 1.686 390 2HG LYS 51 1HG LYS 51 2.628 21.217 0.775 391 1HD LYS 51 2HD LYS 51 3.491 20.381 -1.309 392 2HD LYS 51 1HD LYS 51 4.976 19.829 -0.531 393 1HE LYS 51 2HE LYS 51 3.536 17.909 -0.822 394 2HE LYS 51 1HE LYS 51 3.582 18.307 0.894 395 1HZ LYS 51 1HZ LYS 51 1.468 19.187 0.840 396 2HZ LYS 51 2HZ LYS 51 1.322 17.884 -0.240 397 3HZ LYS 51 3HZ LYS 51 1.496 19.468 -0.832 398 H SER 52 H SER 52 2.494 22.942 -0.459 399 HA SER 52 HA SER 52 0.452 24.762 0.430 400 1HB SER 52 2HB SER 52 0.848 24.286 -1.951 401 2HB SER 52 1HB SER 52 0.361 22.612 -1.698 402 HG SER 52 HG SER 52 -1.428 24.471 -0.752 403 HA PRO 53 HA PRO 53 -1.564 21.648 3.025 404 1HB PRO 53 2HB PRO 53 -3.586 23.087 3.987 405 2HB PRO 53 1HB PRO 53 -1.910 23.568 4.351 406 1HG PRO 53 2HG PRO 53 -3.729 24.600 2.196 407 2HG PRO 53 1HG PRO 53 -2.828 25.527 3.422 408 1HD PRO 53 2HD PRO 53 -1.863 25.154 0.897 409 2HD PRO 53 1HD PRO 53 -0.789 25.258 2.314 410 H ASP 54 H ASP 54 -3.051 23.157 0.286 411 HA ASP 54 HA ASP 54 -4.610 22.320 -1.230 412 1HB ASP 54 2HB ASP 54 -5.280 19.979 0.542 413 2HB ASP 54 1HB ASP 54 -5.246 20.077 -1.216 414 H SER 55 H SER 55 -6.952 20.677 0.204 415 HA SER 55 HA SER 55 -8.138 22.680 1.906 416 1HB SER 55 2HB SER 55 -9.699 23.679 0.471 417 2HB SER 55 1HB SER 55 -8.240 23.610 -0.512 418 HG SER 55 HG SER 55 -9.698 22.705 -1.810 419 HA PRO 56 HA PRO 56 -11.265 18.991 0.781 420 1HB PRO 56 2HB PRO 56 -9.060 16.958 0.638 421 2HB PRO 56 1HB PRO 56 -10.626 16.978 -0.204 422 1HG PRO 56 2HG PRO 56 -8.470 17.634 -1.527 423 2HG PRO 56 1HG PRO 56 -9.916 18.650 -1.694 424 1HD PRO 56 2HD PRO 56 -7.462 19.138 -0.016 425 2HD PRO 56 1HD PRO 56 -8.326 20.279 -1.079 426 H GLU 57 H GLU 57 -10.118 20.141 3.194 427 HA GLU 57 HA GLU 57 -9.831 19.657 5.479 428 1HB GLU 57 2HB GLU 57 -12.224 18.735 4.780 429 2HB GLU 57 1HB GLU 57 -11.478 17.160 5.045 430 1HG GLU 57 2HG GLU 57 -10.756 18.019 7.329 431 2HG GLU 57 1HG GLU 57 -11.795 19.416 7.041 432 H MET 58 H MET 58 -8.119 18.443 3.350 433 HA MET 58 HA MET 58 -6.265 17.077 3.237 434 1HB MET 58 2HB MET 58 -6.785 16.204 6.076 435 2HB MET 58 1HB MET 58 -5.262 16.326 5.210 436 1HG MET 58 2HG MET 58 -5.005 18.346 6.215 437 2HG MET 58 1HG MET 58 -6.226 18.949 5.087 438 1HE MET 58 1HE MET 58 -5.905 20.583 6.931 439 2HE MET 58 2HE MET 58 -5.761 20.010 8.590 440 3HE MET 58 3HE MET 58 -7.241 20.808 8.067 441 H LYS 59 H LYS 59 -9.381 16.135 3.796 442 HA LYS 59 HA LYS 59 -9.441 13.375 4.152 443 1HB LYS 59 2HB LYS 59 -11.383 15.007 3.731 444 2HB LYS 59 1HB LYS 59 -11.025 14.835 2.010 445 1HG LYS 59 2HG LYS 59 -11.313 12.249 3.487 446 2HG LYS 59 1HG LYS 59 -12.782 13.212 3.403 447 1HD LYS 59 2HD LYS 59 -12.782 13.208 1.028 448 2HD LYS 59 1HD LYS 59 -11.112 12.648 0.950 449 1HE LYS 59 2HE LYS 59 -12.784 10.836 0.478 450 2HE LYS 59 1HE LYS 59 -11.739 10.483 1.854 451 1HZ LYS 59 1HZ LYS 59 -13.476 11.253 3.338 452 2HZ LYS 59 2HZ LYS 59 -14.056 10.001 2.347 453 3HZ LYS 59 3HZ LYS 59 -14.482 11.614 2.021 454 H ASP 60 H ASP 60 -9.053 15.130 1.091 455 HA ASP 60 HA ASP 60 -8.717 12.954 -0.635 456 1HB ASP 60 2HB ASP 60 -8.918 15.157 -1.533 457 2HB ASP 60 1HB ASP 60 -7.510 15.728 -0.640 458 H PHE 61 H PHE 61 -6.487 14.206 1.778 459 HA PHE 61 HA PHE 61 -4.156 12.833 0.659 460 1HB PHE 61 2HB PHE 61 -4.202 14.863 2.300 461 2HB PHE 61 1HB PHE 61 -4.470 13.656 3.556 462 HD1 PHE 61 1HD PHE 61 -2.584 12.720 4.590 463 HD2 PHE 61 2HD PHE 61 -2.231 14.269 0.599 464 HE1 PHE 61 1HE PHE 61 -0.145 12.249 4.621 465 HE2 PHE 61 2HE PHE 61 0.202 13.795 0.629 466 HZ PHE 61 HZ PHE 61 1.245 12.788 2.641 467 H ARG 62 H ARG 62 -6.175 12.352 3.536 468 HA ARG 62 HA ARG 62 -5.232 9.747 4.191 469 1HB ARG 62 2HB ARG 62 -7.965 10.947 4.724 470 2HB ARG 62 1HB ARG 62 -7.207 9.650 5.634 471 1HG ARG 62 2HG ARG 62 -6.068 11.131 6.938 472 2HG ARG 62 1HG ARG 62 -5.399 11.939 5.525 473 1HD ARG 62 2HD ARG 62 -7.429 13.296 5.305 474 2HD ARG 62 1HD ARG 62 -8.153 12.456 6.673 475 HE ARG 62 HE ARG 62 -6.124 14.548 6.839 476 1HH1 ARG 62 1HH2 ARG 62 -7.615 11.800 8.291 477 2HH1 ARG 62 2HH2 ARG 62 -7.104 12.204 9.898 478 1HH2 ARG 62 1HH1 ARG 62 -5.444 15.089 8.929 479 2HH2 ARG 62 2HH1 ARG 62 -5.870 14.062 10.256 480 H HIS 63 H HIS 63 -7.774 10.862 2.001 481 HA HIS 63 HA HIS 63 -9.056 8.335 1.541 482 1HB HIS 63 2HB HIS 63 -9.585 10.858 0.731 483 2HB HIS 63 1HB HIS 63 -8.769 10.303 -0.723 484 HD1 HIS 63 1HD HIS 63 -10.780 7.885 1.302 485 HD2 HIS 63 2HD HIS 63 -11.273 10.194 -2.131 486 HE1 HIS 63 1HE HIS 63 -12.896 7.084 0.211 487 H GLY 64 H GLY 64 -6.184 9.841 0.044 488 1HA GLY 64 2HA GLY 64 -5.898 7.814 -1.963 489 2HA GLY 64 1HA GLY 64 -4.592 8.843 -1.373 490 H PHE 65 H PHE 65 -4.960 7.997 1.436 491 HA PHE 65 HA PHE 65 -3.395 5.513 1.277 492 1HB PHE 65 2HB PHE 65 -4.324 7.236 3.584 493 2HB PHE 65 1HB PHE 65 -3.506 5.693 3.831 494 HD1 PHE 65 1HD PHE 65 -3.052 9.168 3.248 495 HD2 PHE 65 2HD PHE 65 -1.253 5.338 2.560 496 HE1 PHE 65 1HE PHE 65 -0.865 10.260 2.872 497 HE2 PHE 65 2HE PHE 65 0.937 6.436 2.173 498 HZ PHE 65 HZ PHE 65 1.123 8.907 2.320 499 H ASP 66 H ASP 66 -6.585 6.567 2.421 500 HA ASP 66 HA ASP 66 -7.395 3.944 3.326 501 1HB ASP 66 2HB ASP 66 -8.453 6.208 3.951 502 2HB ASP 66 1HB ASP 66 -9.271 6.128 2.389 503 H ILE 67 H ILE 67 -7.924 5.826 0.340 504 HA ILE 67 HA ILE 67 -9.520 3.938 -1.033 505 HB ILE 67 HB ILE 67 -7.410 5.870 -2.058 506 1HG1 ILE 67 2HG1 ILE 67 -9.705 6.609 -0.969 507 2HG1 ILE 67 1HG1 ILE 67 -9.164 7.368 -2.463 508 1HG2 ILE 67 1HG2 ILE 67 -7.504 4.212 -3.753 509 2HG2 ILE 67 2HG2 ILE 67 -8.579 5.494 -4.306 510 3HG2 ILE 67 3HG2 ILE 67 -9.252 4.028 -3.593 511 1HD1 ILE 67 1HD1 ILE 67 -10.671 6.109 -3.789 512 2HD1 ILE 67 2HD1 ILE 67 -11.614 6.573 -2.373 513 3HD1 ILE 67 3HD1 ILE 67 -10.966 4.940 -2.506 514 H LEU 68 H LEU 68 -5.988 4.304 -0.943 515 HA LEU 68 HA LEU 68 -5.358 2.043 -2.535 516 1HB LEU 68 2HB LEU 68 -3.626 3.614 -2.068 517 2HB LEU 68 1HB LEU 68 -3.874 3.485 -0.331 518 HG LEU 68 HG LEU 68 -2.975 1.229 -0.306 519 1HD1 LEU 68 1HD1 LEU 68 -3.232 1.480 -3.284 520 2HD1 LEU 68 2HD1 LEU 68 -3.552 0.100 -2.243 521 3HD1 LEU 68 3HD1 LEU 68 -1.895 0.517 -2.656 522 1HD2 LEU 68 1HD2 LEU 68 -1.349 3.312 -1.773 523 2HD2 LEU 68 2HD2 LEU 68 -0.657 1.747 -1.355 524 3HD2 LEU 68 3HD2 LEU 68 -1.244 2.815 -0.083 525 H VAL 69 H VAL 69 -5.899 2.333 0.977 526 HA VAL 69 HA VAL 69 -5.271 -0.362 1.626 527 HB VAL 69 HB VAL 69 -7.178 1.647 2.849 528 1HG1 VAL 69 1HG1 VAL 69 -7.018 0.042 4.863 529 2HG1 VAL 69 2HG1 VAL 69 -6.512 -1.162 3.680 530 3HG1 VAL 69 3HG1 VAL 69 -8.091 -0.400 3.537 531 1HG2 VAL 69 1HG2 VAL 69 -4.517 1.808 2.870 532 2HG2 VAL 69 2HG2 VAL 69 -4.670 0.610 4.151 533 3HG2 VAL 69 3HG2 VAL 69 -5.446 2.184 4.319 534 H GLY 70 H GLY 70 -7.874 1.081 -0.109 535 1HA GLY 70 2HA GLY 70 -9.784 -1.068 0.377 536 2HA GLY 70 1HA GLY 70 -9.968 0.228 -0.799 537 H GLN 71 H GLN 71 -7.681 -0.154 -2.420 538 HA GLN 71 HA GLN 71 -8.550 -2.448 -3.947 539 1HB GLN 71 2HB GLN 71 -7.124 -1.675 -5.599 540 2HB GLN 71 1HB GLN 71 -7.220 -0.209 -4.634 541 1HG GLN 71 2HG GLN 71 -4.920 -0.449 -4.935 542 2HG GLN 71 1HG GLN 71 -5.151 -1.200 -3.368 543 1HE2 GLN 71 1HE2 GLN 71 -6.555 -3.509 -5.020 544 2HE2 GLN 71 2HE2 GLN 71 -5.232 -4.437 -5.541 545 H ILE 72 H ILE 72 -6.144 -1.843 -1.514 546 HA ILE 72 HA ILE 72 -4.814 -4.420 -1.799 547 HB ILE 72 HB ILE 72 -4.816 -2.204 0.258 548 1HG1 ILE 72 2HG1 ILE 72 -2.551 -3.589 -1.190 549 2HG1 ILE 72 1HG1 ILE 72 -3.389 -2.185 -1.840 550 1HG2 ILE 72 1HG2 ILE 72 -4.779 -4.141 1.676 551 2HG2 ILE 72 2HG2 ILE 72 -3.109 -3.607 1.527 552 3HG2 ILE 72 3HG2 ILE 72 -3.680 -4.991 0.596 553 1HD1 ILE 72 1HD1 ILE 72 -2.813 -1.058 0.430 554 2HD1 ILE 72 2HD1 ILE 72 -1.514 -1.261 -0.742 555 3HD1 ILE 72 3HD1 ILE 72 -1.653 -2.372 0.620 556 H ASP 73 H ASP 73 -7.582 -3.084 -0.075 557 HA ASP 73 HA ASP 73 -8.001 -5.259 1.741 558 1HB ASP 73 2HB ASP 73 -9.170 -3.104 1.983 559 2HB ASP 73 1HB ASP 73 -10.072 -3.423 0.499 560 H ASP 74 H ASP 74 -9.484 -4.613 -1.464 561 HA ASP 74 HA ASP 74 -10.935 -7.084 -1.536 562 1HB ASP 74 2HB ASP 74 -11.636 -6.431 -3.646 563 2HB ASP 74 1HB ASP 74 -11.069 -4.876 -3.050 564 H ALA 75 H ALA 75 -7.601 -6.303 -2.336 565 HA ALA 75 HA ALA 75 -7.174 -8.758 -3.813 566 1HB ALA 75 1HB ALA 75 -4.728 -8.240 -3.401 567 2HB ALA 75 2HB ALA 75 -5.245 -6.847 -2.450 568 3HB ALA 75 3HB ALA 75 -5.616 -6.926 -4.172 569 H LEU 76 H LEU 76 -6.927 -7.743 -0.437 570 HA LEU 76 HA LEU 76 -5.615 -10.015 0.590 571 1HB LEU 76 2HB LEU 76 -6.799 -7.712 1.602 572 2HB LEU 76 1HB LEU 76 -7.880 -8.946 2.206 573 HG LEU 76 HG LEU 76 -5.051 -9.702 2.632 574 1HD1 LEU 76 1HD1 LEU 76 -4.889 -7.180 2.761 575 2HD1 LEU 76 2HD1 LEU 76 -4.421 -8.040 4.226 576 3HD1 LEU 76 3HD1 LEU 76 -5.999 -7.258 4.129 577 1HD2 LEU 76 1HD2 LEU 76 -7.408 -9.259 4.487 578 2HD2 LEU 76 2HD2 LEU 76 -5.874 -9.984 4.964 579 3HD2 LEU 76 3HD2 LEU 76 -6.906 -10.797 3.788 580 H LYS 77 H LYS 77 -8.900 -9.447 -0.472 581 HA LYS 77 HA LYS 77 -10.075 -11.860 0.491 582 1HB LYS 77 2HB LYS 77 -11.252 -9.752 -0.361 583 2HB LYS 77 1HB LYS 77 -10.835 -10.299 -1.988 584 1HG LYS 77 2HG LYS 77 -12.970 -11.212 -1.709 585 2HG LYS 77 1HG LYS 77 -11.916 -12.543 -1.249 586 1HD LYS 77 2HD LYS 77 -12.191 -11.316 1.180 587 2HD LYS 77 1HD LYS 77 -13.731 -10.887 0.447 588 1HE LYS 77 2HE LYS 77 -13.793 -13.468 -0.190 589 2HE LYS 77 1HE LYS 77 -12.656 -13.609 1.156 590 1HZ LYS 77 1HZ LYS 77 -14.232 -12.612 2.615 591 2HZ LYS 77 2HZ LYS 77 -15.042 -13.844 1.769 592 3HZ LYS 77 3HZ LYS 77 -15.277 -12.218 1.338 593 H LEU 78 H LEU 78 -8.635 -10.921 -2.635 594 HA LEU 78 HA LEU 78 -9.066 -13.391 -3.971 595 1HB LEU 78 2HB LEU 78 -7.268 -11.035 -4.291 596 2HB LEU 78 1HB LEU 78 -6.727 -12.508 -5.105 597 HG LEU 78 HG LEU 78 -8.924 -12.684 -6.234 598 1HD1 LEU 78 1HD1 LEU 78 -10.447 -10.666 -6.086 599 2HD1 LEU 78 2HD1 LEU 78 -9.480 -10.111 -4.720 600 3HD1 LEU 78 3HD1 LEU 78 -10.378 -11.622 -4.609 601 1HD2 LEU 78 1HD2 LEU 78 -7.923 -9.851 -6.615 602 2HD2 LEU 78 2HD2 LEU 78 -8.502 -10.985 -7.835 603 3HD2 LEU 78 3HD2 LEU 78 -6.928 -11.230 -7.076 604 H ALA 79 H ALA 79 -6.640 -12.337 -1.691 605 HA ALA 79 HA ALA 79 -4.865 -14.574 -1.939 606 1HB ALA 79 1HB ALA 79 -5.440 -13.058 0.620 607 2HB ALA 79 2HB ALA 79 -4.479 -12.365 -0.678 608 3HB ALA 79 3HB ALA 79 -3.933 -13.825 0.140 609 H ASN 80 H ASN 80 -7.552 -13.906 0.303 610 HA ASN 80 HA ASN 80 -7.430 -16.542 1.480 611 1HB ASN 80 2HB ASN 80 -8.436 -14.220 2.361 612 2HB ASN 80 1HB ASN 80 -9.925 -14.901 1.709 613 1HD2 ASN 80 1HD2 ASN 80 -7.096 -16.104 3.593 614 2HD2 ASN 80 2HD2 ASN 80 -8.010 -17.020 4.659 615 H GLU 81 H GLU 81 -8.796 -15.434 -1.472 616 HA GLU 81 HA GLU 81 -10.904 -17.532 -1.477 617 1HB GLU 81 2HB GLU 81 -10.196 -15.244 -3.292 618 2HB GLU 81 1HB GLU 81 -11.230 -16.538 -3.887 619 1HG GLU 81 2HG GLU 81 -12.749 -16.177 -1.968 620 2HG GLU 81 1HG GLU 81 -11.735 -14.846 -1.425 621 H GLY 82 H GLY 82 -7.620 -17.272 -2.364 622 1HA GLY 82 2HA GLY 82 -6.408 -19.230 -3.138 623 2HA GLY 82 1HA GLY 82 -7.871 -19.819 -3.909 624 H LYS 83 H LYS 83 -7.376 -16.485 -4.447 625 HA LYS 83 HA LYS 83 -6.507 -17.089 -7.241 626 1HB LYS 83 2HB LYS 83 -7.297 -14.356 -6.274 627 2HB LYS 83 1HB LYS 83 -7.398 -15.033 -7.892 628 1HG LYS 83 2HG LYS 83 -9.115 -15.773 -5.526 629 2HG LYS 83 1HG LYS 83 -9.616 -14.900 -6.965 630 1HD LYS 83 2HD LYS 83 -8.737 -17.010 -8.256 631 2HD LYS 83 1HD LYS 83 -8.898 -17.816 -6.695 632 1HE LYS 83 2HE LYS 83 -10.948 -18.054 -8.080 633 2HE LYS 83 1HE LYS 83 -11.266 -17.169 -6.588 634 1HZ LYS 83 1HZ LYS 83 -10.538 -15.722 -9.052 635 2HZ LYS 83 2HZ LYS 83 -11.399 -15.164 -7.699 636 3HZ LYS 83 3HZ LYS 83 -12.140 -16.224 -8.801 637 H VAL 84 H VAL 84 -4.362 -17.522 -6.677 638 HA VAL 84 HA VAL 84 -2.666 -15.603 -5.315 639 HB VAL 84 HB VAL 84 -1.861 -18.015 -6.977 640 1HG1 VAL 84 1HG1 VAL 84 -0.024 -16.442 -6.483 641 2HG1 VAL 84 2HG1 VAL 84 0.165 -17.945 -5.577 642 3HG1 VAL 84 3HG1 VAL 84 -0.441 -16.501 -4.771 643 1HG2 VAL 84 1HG2 VAL 84 -3.376 -18.762 -5.270 644 2HG2 VAL 84 2HG2 VAL 84 -2.615 -17.725 -4.066 645 3HG2 VAL 84 3HG2 VAL 84 -1.744 -19.119 -4.701 646 H LYS 85 H LYS 85 -2.594 -16.818 -8.709 647 HA LYS 85 HA LYS 85 -0.764 -14.889 -9.643 648 1HB LYS 85 2HB LYS 85 -3.050 -16.288 -11.063 649 2HB LYS 85 1HB LYS 85 -1.900 -15.248 -11.895 650 1HG LYS 85 2HG LYS 85 -0.795 -17.263 -12.186 651 2HG LYS 85 1HG LYS 85 -0.128 -16.836 -10.616 652 1HD LYS 85 2HD LYS 85 -1.840 -18.194 -9.497 653 2HD LYS 85 1HD LYS 85 -2.546 -18.605 -11.061 654 1HE LYS 85 2HE LYS 85 -0.239 -19.507 -11.700 655 2HE LYS 85 1HE LYS 85 0.181 -19.359 -9.994 656 1HZ LYS 85 1HZ LYS 85 -2.315 -20.629 -10.228 657 2HZ LYS 85 2HZ LYS 85 -0.870 -21.238 -9.577 658 3HZ LYS 85 3HZ LYS 85 -1.205 -21.425 -11.234 659 H GLU 86 H GLU 86 -4.272 -14.636 -9.184 660 HA GLU 86 HA GLU 86 -4.503 -12.043 -10.434 661 1HB GLU 86 2HB GLU 86 -6.206 -13.163 -8.185 662 2HB GLU 86 1HB GLU 86 -6.629 -11.846 -9.280 663 1HG GLU 86 2HG GLU 86 -6.306 -13.526 -11.199 664 2HG GLU 86 1HG GLU 86 -6.354 -14.781 -9.961 665 H ALA 87 H ALA 87 -3.950 -13.193 -7.118 666 HA ALA 87 HA ALA 87 -3.886 -10.568 -5.950 667 1HB ALA 87 1HB ALA 87 -2.655 -13.193 -5.081 668 2HB ALA 87 2HB ALA 87 -4.154 -12.472 -4.498 669 3HB ALA 87 3HB ALA 87 -2.604 -11.730 -4.097 670 H GLN 88 H GLN 88 -1.312 -12.739 -7.058 671 HA GLN 88 HA GLN 88 0.870 -10.986 -6.558 672 1HB GLN 88 2HB GLN 88 1.916 -12.915 -7.136 673 2HB GLN 88 1HB GLN 88 0.392 -13.600 -7.611 674 1HG GLN 88 2HG GLN 88 0.674 -12.882 -9.886 675 2HG GLN 88 1HG GLN 88 2.072 -11.910 -9.453 676 1HE2 GLN 88 1HE2 GLN 88 1.184 -15.320 -8.661 677 2HE2 GLN 88 2HE2 GLN 88 2.639 -15.967 -9.211 678 H ALA 89 H ALA 89 -1.047 -11.555 -9.521 679 HA ALA 89 HA ALA 89 0.269 -9.708 -11.206 680 1HB ALA 89 1HB ALA 89 -2.681 -10.411 -11.055 681 2HB ALA 89 2HB ALA 89 -1.470 -11.204 -12.061 682 3HB ALA 89 3HB ALA 89 -1.935 -9.534 -12.391 683 H ALA 90 H ALA 90 -2.094 -9.209 -8.631 684 HA ALA 90 HA ALA 90 -2.605 -6.427 -9.197 685 1HB ALA 90 1HB ALA 90 -2.637 -7.649 -6.428 686 2HB ALA 90 2HB ALA 90 -3.900 -8.015 -7.604 687 3HB ALA 90 3HB ALA 90 -3.652 -6.355 -7.066 688 H ALA 91 H ALA 91 -0.111 -8.191 -7.448 689 HA ALA 91 HA ALA 91 1.135 -6.166 -5.976 690 1HB ALA 91 1HB ALA 91 1.892 -8.594 -6.171 691 2HB ALA 91 2HB ALA 91 3.188 -7.398 -6.165 692 3HB ALA 91 3HB ALA 91 2.679 -8.136 -7.683 693 H GLU 92 H GLU 92 1.655 -6.964 -9.423 694 HA GLU 92 HA GLU 92 3.387 -4.757 -9.967 695 1HB GLU 92 2HB GLU 92 1.422 -6.168 -11.811 696 2HB GLU 92 1HB GLU 92 2.687 -5.063 -12.339 697 1HG GLU 92 2HG GLU 92 3.828 -7.070 -12.594 698 2HG GLU 92 1HG GLU 92 4.245 -6.719 -10.918 699 H GLN 93 H GLN 93 -0.103 -5.018 -9.600 700 HA GLN 93 HA GLN 93 -0.668 -2.411 -10.765 701 1HB GLN 93 2HB GLN 93 -2.322 -4.385 -10.407 702 2HB GLN 93 1HB GLN 93 -2.385 -3.874 -8.728 703 1HG GLN 93 2HG GLN 93 -2.826 -1.697 -10.727 704 2HG GLN 93 1HG GLN 93 -4.077 -2.932 -10.660 705 1HE2 GLN 93 1HE2 GLN 93 -2.108 -1.668 -7.923 706 2HE2 GLN 93 2HE2 GLN 93 -3.427 -1.061 -7.052 707 H LEU 94 H LEU 94 -0.094 -3.760 -7.542 708 HA LEU 94 HA LEU 94 -0.539 -1.344 -6.067 709 1HB LEU 94 2HB LEU 94 0.995 -3.881 -5.544 710 2HB LEU 94 1HB LEU 94 1.133 -2.536 -4.421 711 HG LEU 94 HG LEU 94 -1.433 -2.540 -4.306 712 1HD1 LEU 94 1HD1 LEU 94 -1.847 -3.883 -6.333 713 2HD1 LEU 94 2HD1 LEU 94 -2.494 -4.706 -4.912 714 3HD1 LEU 94 3HD1 LEU 94 -0.973 -5.234 -5.614 715 1HD2 LEU 94 1HD2 LEU 94 0.278 -4.826 -3.316 716 2HD2 LEU 94 2HD2 LEU 94 -1.411 -4.676 -2.855 717 3HD2 LEU 94 3HD2 LEU 94 -0.263 -3.408 -2.422 718 H LYS 95 H LYS 95 2.343 -2.777 -7.577 719 HA LYS 95 HA LYS 95 4.265 -0.844 -6.741 720 1HB LYS 95 2HB LYS 95 4.057 -2.435 -9.325 721 2HB LYS 95 1HB LYS 95 5.484 -1.521 -8.830 722 1HG LYS 95 2HG LYS 95 5.095 -3.009 -6.572 723 2HG LYS 95 1HG LYS 95 4.413 -4.104 -7.767 724 1HD LYS 95 2HD LYS 95 6.753 -4.631 -7.511 725 2HD LYS 95 1HD LYS 95 6.527 -3.897 -9.097 726 1HE LYS 95 2HE LYS 95 7.745 -2.018 -8.533 727 2HE LYS 95 1HE LYS 95 7.155 -2.002 -6.868 728 1HZ LYS 95 1HZ LYS 95 8.731 -3.505 -6.200 729 2HZ LYS 95 2HZ LYS 95 9.600 -2.647 -7.382 730 3HZ LYS 95 3HZ LYS 95 8.937 -4.168 -7.747 731 H THR 96 H THR 96 2.081 -0.930 -9.549 732 HA THR 96 HA THR 96 2.944 1.595 -10.653 733 HB THR 96 HB THR 96 0.219 0.289 -10.958 734 HG1 THR 96 1HG THR 96 1.104 -1.016 -12.421 735 1HG2 THR 96 1HG2 THR 96 1.848 2.197 -12.650 736 2HG2 THR 96 2HG2 THR 96 0.279 2.501 -11.905 737 3HG2 THR 96 3HG2 THR 96 0.414 1.354 -13.239 738 H THR 97 H THR 97 0.684 0.707 -8.106 739 HA THR 97 HA THR 97 -0.731 3.197 -8.036 740 HB THR 97 HB THR 97 -0.353 0.918 -6.189 741 HG1 THR 97 1HG THR 97 -2.653 2.232 -5.975 742 1HG2 THR 97 1HG2 THR 97 0.371 2.586 -4.614 743 2HG2 THR 97 2HG2 THR 97 -1.315 2.236 -4.257 744 3HG2 THR 97 3HG2 THR 97 -0.892 3.700 -5.141 745 H ILE 98 H ILE 98 2.315 2.049 -6.612 746 HA ILE 98 HA ILE 98 2.980 4.207 -4.982 747 HB ILE 98 HB ILE 98 4.864 2.778 -6.864 748 1HG1 ILE 98 2HG1 ILE 98 4.125 2.164 -3.979 749 2HG1 ILE 98 1HG1 ILE 98 3.595 1.232 -5.376 750 1HG2 ILE 98 1HG2 ILE 98 6.505 3.433 -4.975 751 2HG2 ILE 98 2HG2 ILE 98 5.247 4.545 -4.444 752 3HG2 ILE 98 3HG2 ILE 98 5.958 4.716 -6.048 753 1HD1 ILE 98 1HD1 ILE 98 5.438 -0.031 -4.821 754 2HD1 ILE 98 2HD1 ILE 98 6.271 1.325 -4.067 755 3HD1 ILE 98 3HD1 ILE 98 6.262 1.164 -5.824 756 H ARG 99 H ARG 99 3.235 3.876 -8.507 757 HA ARG 99 HA ARG 99 4.568 6.321 -8.993 758 1HB ARG 99 2HB ARG 99 3.869 4.506 -10.703 759 2HB ARG 99 1HB ARG 99 2.322 5.351 -10.762 760 1HG ARG 99 2HG ARG 99 3.627 6.314 -12.515 761 2HG ARG 99 1HG ARG 99 3.640 7.491 -11.200 762 1HD ARG 99 2HD ARG 99 5.911 7.380 -11.072 763 2HD ARG 99 1HD ARG 99 5.872 5.628 -10.898 764 HE ARG 99 HE ARG 99 6.426 5.468 -13.171 765 1HH1 ARG 99 1HH2 ARG 99 5.056 8.540 -12.407 766 2HH1 ARG 99 2HH2 ARG 99 5.323 9.199 -13.987 767 1HH2 ARG 99 1HH1 ARG 99 6.793 6.312 -15.226 768 2HH2 ARG 99 2HH1 ARG 99 6.310 7.937 -15.585 769 H ALA 100 H ALA 100 1.117 5.610 -8.576 770 HA ALA 100 HA ALA 100 0.184 8.303 -8.933 771 1HB ALA 100 1HB ALA 100 -1.888 7.515 -7.932 772 2HB ALA 100 2HB ALA 100 -1.070 6.104 -7.262 773 3HB ALA 100 3HB ALA 100 -1.269 6.260 -9.007 774 H TYR 101 H TYR 101 1.599 6.589 -6.222 775 HA TYR 101 HA TYR 101 0.717 8.497 -4.238 776 1HB TYR 101 2HB TYR 101 1.373 6.410 -3.361 777 2HB TYR 101 1HB TYR 101 2.830 6.370 -4.328 778 HD1 TYR 101 1HD TYR 101 4.814 7.529 -3.708 779 HD2 TYR 101 2HD TYR 101 1.261 7.818 -1.324 780 HE1 TYR 101 1HE TYR 101 6.131 8.553 -1.878 781 HE2 TYR 101 2HE TYR 101 2.574 8.843 0.512 782 HH TYR 101 HH TYR 101 5.414 8.636 1.078 783 H ASN 102 H ASN 102 3.335 8.291 -6.541 784 HA ASN 102 HA ASN 102 4.976 10.282 -5.308 785 1HB ASN 102 2HB ASN 102 6.138 8.995 -6.802 786 2HB ASN 102 1HB ASN 102 4.889 9.076 -8.044 787 1HD2 ASN 102 1HD2 ASN 102 5.679 12.147 -6.567 788 2HD2 ASN 102 2HD2 ASN 102 6.654 12.733 -7.825 789 H GLN 103 H GLN 103 2.382 10.577 -7.793 790 HA GLN 103 HA GLN 103 2.852 13.407 -8.114 791 1HB GLN 103 2HB GLN 103 0.287 13.481 -8.658 792 2HB GLN 103 1HB GLN 103 1.354 12.626 -9.760 793 1HG GLN 103 2HG GLN 103 -0.450 11.152 -9.484 794 2HG GLN 103 1HG GLN 103 0.755 10.512 -8.384 795 1HE2 GLN 103 1HE2 GLN 103 -0.372 13.375 -7.006 796 2HE2 GLN 103 2HE2 GLN 103 -1.572 12.721 -6.002 797 H LYS 104 H LYS 104 1.576 11.415 -5.678 798 HA LYS 104 HA LYS 104 0.298 13.611 -4.182 799 1HB LYS 104 2HB LYS 104 -0.863 11.843 -3.359 800 2HB LYS 104 1HB LYS 104 0.238 10.718 -4.118 801 1HG LYS 104 2HG LYS 104 1.714 10.779 -2.199 802 2HG LYS 104 1HG LYS 104 0.779 12.078 -1.478 803 1HD LYS 104 2HD LYS 104 -0.339 9.344 -2.106 804 2HD LYS 104 1HD LYS 104 0.268 9.839 -0.532 805 1HE LYS 104 2HE LYS 104 -1.460 11.890 -0.986 806 2HE LYS 104 1HE LYS 104 -2.263 10.611 -1.895 807 1HZ LYS 104 1HZ LYS 104 -2.870 10.816 0.515 808 2HZ LYS 104 2HZ LYS 104 -1.311 10.243 0.881 809 3HZ LYS 104 3HZ LYS 104 -2.394 9.270 0.007 810 H TYR 105 H TYR 105 3.349 11.773 -4.186 811 HA TYR 105 HA TYR 105 4.245 13.217 -1.790 812 1HB TYR 105 2HB TYR 105 5.393 11.305 -1.452 813 2HB TYR 105 1HB TYR 105 4.962 10.729 -3.045 814 HD1 TYR 105 1HD TYR 105 6.298 12.090 -4.988 815 HD2 TYR 105 2HD TYR 105 7.687 11.389 -1.000 816 HE1 TYR 105 1HE TYR 105 8.643 12.335 -5.772 817 HE2 TYR 105 2HE TYR 105 10.032 11.648 -1.763 818 HH TYR 105 HH TYR 105 10.986 11.443 -4.863 819 H GLY 106 H GLY 106 3.826 14.204 -4.772 820 1HA GLY 106 2HA GLY 106 5.966 16.211 -4.569 821 2HA GLY 106 1HA GLY 106 6.079 15.157 -5.981 Start of MODEL 8 1 1H ALA 1 1HT ALA 1 14.740 4.957 11.968 2 2H ALA 1 2HT ALA 1 16.237 5.246 11.219 3 3H ALA 1 3HT ALA 1 15.505 3.718 11.099 4 HA ALA 1 HA ALA 1 14.491 6.248 9.921 5 1HB ALA 1 1HB ALA 1 14.980 5.152 7.784 6 2HB ALA 1 2HB ALA 1 15.566 3.722 8.631 7 3HB ALA 1 3HB ALA 1 16.445 5.245 8.760 8 H ASP 2 H ASP 2 12.358 6.041 10.664 9 HA ASP 2 HA ASP 2 10.921 3.481 10.415 10 1HB ASP 2 2HB ASP 2 10.267 6.252 11.374 11 2HB ASP 2 1HB ASP 2 8.962 5.104 11.069 12 H LEU 3 H LEU 3 11.554 6.232 8.514 13 HA LEU 3 HA LEU 3 9.115 5.974 6.880 14 1HB LEU 3 2HB LEU 3 11.525 7.726 6.319 15 2HB LEU 3 1HB LEU 3 9.886 7.920 5.700 16 HG LEU 3 HG LEU 3 10.824 8.302 8.557 17 1HD1 LEU 3 1HD1 LEU 3 9.355 10.211 6.732 18 2HD1 LEU 3 2HD1 LEU 3 11.116 10.133 6.802 19 3HD1 LEU 3 3HD1 LEU 3 10.195 10.578 8.239 20 1HD2 LEU 3 1HD2 LEU 3 8.046 8.070 7.382 21 2HD2 LEU 3 2HD2 LEU 3 8.345 8.966 8.872 22 3HD2 LEU 3 3HD2 LEU 3 8.707 7.244 8.792 23 H GLU 4 H GLU 4 12.631 5.652 6.456 24 HA GLU 4 HA GLU 4 12.482 4.601 3.780 25 1HB GLU 4 2HB GLU 4 14.678 3.990 5.772 26 2HB GLU 4 1HB GLU 4 14.805 4.149 4.021 27 1HG GLU 4 2HG GLU 4 14.240 6.559 4.212 28 2HG GLU 4 1HG GLU 4 14.192 6.392 5.965 29 H ASP 5 H ASP 5 12.063 3.379 6.966 30 HA ASP 5 HA ASP 5 12.464 0.577 6.298 31 1HB ASP 5 2HB ASP 5 12.793 1.143 8.561 32 2HB ASP 5 1HB ASP 5 11.326 2.116 8.611 33 H ASN 6 H ASN 6 9.552 2.586 6.895 34 HA ASN 6 HA ASN 6 7.610 0.611 6.493 35 1HB ASN 6 2HB ASN 6 6.606 2.574 7.185 36 2HB ASN 6 1HB ASN 6 7.731 3.580 6.280 37 1HD2 ASN 6 1HD2 ASN 6 7.413 3.201 3.743 38 2HD2 ASN 6 2HD2 ASN 6 5.802 3.270 3.206 39 H TRP 7 H TRP 7 9.311 2.591 4.075 40 HA TRP 7 HA TRP 7 7.895 1.692 1.782 41 1HB TRP 7 2HB TRP 7 10.703 2.709 2.233 42 2HB TRP 7 1HB TRP 7 10.231 2.124 0.640 43 HD1 TRP 7 HD TRP 7 8.527 4.467 3.250 44 HE1 TRP 7 1HE TRP 7 7.646 6.532 1.991 45 HE3 TRP 7 3HE TRP 7 10.029 3.307 -1.490 46 HZ2 TRP 7 2HZ TRP 7 7.603 7.565 -0.677 47 HZ3 TRP 7 3HZ TRP 7 9.560 4.851 -3.370 48 HH2 TRP 7 HH TRP 7 8.348 6.977 -2.970 49 H GLU 8 H GLU 8 10.898 0.362 3.222 50 HA GLU 8 HA GLU 8 11.154 -1.805 1.435 51 1HB GLU 8 2HB GLU 8 12.834 -1.013 3.172 52 2HB GLU 8 1HB GLU 8 11.848 -1.843 4.375 53 1HG GLU 8 2HG GLU 8 12.046 -3.909 2.953 54 2HG GLU 8 1HG GLU 8 13.271 -3.063 2.012 55 H THR 9 H THR 9 9.078 -1.303 4.235 56 HA THR 9 HA THR 9 8.317 -4.067 4.515 57 HB THR 9 HB THR 9 6.693 -1.617 5.265 58 HG1 THR 9 1HG THR 9 7.741 -1.764 7.224 59 1HG2 THR 9 1HG2 THR 9 6.614 -4.524 6.086 60 2HG2 THR 9 2HG2 THR 9 5.320 -3.569 5.364 61 3HG2 THR 9 3HG2 THR 9 5.832 -3.250 7.021 62 H LEU 10 H LEU 10 6.646 -1.304 2.975 63 HA LEU 10 HA LEU 10 4.577 -2.879 1.789 64 1HB LEU 10 2HB LEU 10 5.804 -0.448 0.466 65 2HB LEU 10 1HB LEU 10 4.156 -1.036 0.316 66 HG LEU 10 HG LEU 10 5.441 0.364 2.664 67 1HD1 LEU 10 1HD1 LEU 10 4.360 1.689 0.847 68 2HD1 LEU 10 2HD1 LEU 10 3.552 1.877 2.404 69 3HD1 LEU 10 3HD1 LEU 10 2.851 0.834 1.166 70 1HD2 LEU 10 1HD2 LEU 10 3.231 -0.074 3.830 71 2HD2 LEU 10 2HD2 LEU 10 4.288 -1.479 3.685 72 3HD2 LEU 10 3HD2 LEU 10 2.911 -1.295 2.598 73 H ASN 11 H ASN 11 7.864 -2.048 0.818 74 HA ASN 11 HA ASN 11 7.689 -3.278 -1.788 75 1HB ASN 11 2HB ASN 11 9.507 -1.638 -0.690 76 2HB ASN 11 1HB ASN 11 10.328 -3.159 -0.348 77 1HD2 ASN 11 1HD2 ASN 11 9.204 -4.470 -2.836 78 2HD2 ASN 11 2HD2 ASN 11 10.035 -3.772 -4.142 79 H ASP 12 H ASP 12 9.188 -4.406 1.258 80 HA ASP 12 HA ASP 12 9.816 -7.035 0.386 81 1HB ASP 12 2HB ASP 12 10.763 -6.198 2.440 82 2HB ASP 12 1HB ASP 12 9.166 -5.941 3.139 83 H ASN 13 H ASN 13 6.775 -5.595 1.046 84 HA ASN 13 HA ASN 13 5.344 -8.005 1.792 85 1HB ASN 13 2HB ASN 13 4.776 -5.162 1.287 86 2HB ASN 13 1HB ASN 13 3.552 -6.193 0.606 87 1HD2 ASN 13 1HD2 ASN 13 3.373 -4.321 2.909 88 2HD2 ASN 13 2HD2 ASN 13 2.827 -5.266 4.221 89 H LEU 14 H LEU 14 5.525 -6.028 -1.171 90 HA LEU 14 HA LEU 14 3.999 -7.682 -2.861 91 1HB LEU 14 2HB LEU 14 6.319 -5.854 -3.503 92 2HB LEU 14 1HB LEU 14 5.246 -6.544 -4.720 93 HG LEU 14 HG LEU 14 4.030 -5.070 -2.390 94 1HD1 LEU 14 1HD1 LEU 14 4.137 -2.989 -3.904 95 2HD1 LEU 14 2HD1 LEU 14 5.454 -3.818 -4.734 96 3HD1 LEU 14 3HD1 LEU 14 5.601 -3.426 -3.023 97 1HD2 LEU 14 1HD2 LEU 14 3.257 -5.090 -5.318 98 2HD2 LEU 14 2HD2 LEU 14 2.258 -4.668 -3.930 99 3HD2 LEU 14 3HD2 LEU 14 2.727 -6.341 -4.192 100 H LYS 15 H LYS 15 7.388 -7.972 -1.942 101 HA LYS 15 HA LYS 15 8.036 -9.839 -4.040 102 1HB LYS 15 2HB LYS 15 9.736 -8.595 -2.656 103 2HB LYS 15 1HB LYS 15 9.310 -9.638 -1.299 104 1HG LYS 15 2HG LYS 15 9.754 -11.540 -3.215 105 2HG LYS 15 1HG LYS 15 10.853 -10.282 -3.776 106 1HD LYS 15 2HD LYS 15 12.228 -11.472 -2.309 107 2HD LYS 15 1HD LYS 15 11.617 -10.201 -1.252 108 1HE LYS 15 2HE LYS 15 11.354 -12.238 -0.030 109 2HE LYS 15 1HE LYS 15 9.739 -11.832 -0.617 110 1HZ LYS 15 1HZ LYS 15 9.832 -13.447 -2.242 111 2HZ LYS 15 2HZ LYS 15 10.615 -14.208 -0.941 112 3HZ LYS 15 3HZ LYS 15 11.524 -13.548 -2.215 113 H VAL 16 H VAL 16 6.942 -10.222 -0.671 114 HA VAL 16 HA VAL 16 7.102 -13.052 -0.589 115 HB VAL 16 HB VAL 16 5.209 -11.129 0.793 116 1HG1 VAL 16 1HG1 VAL 16 4.082 -13.249 0.796 117 2HG1 VAL 16 2HG1 VAL 16 4.856 -13.091 2.371 118 3HG1 VAL 16 3HG1 VAL 16 5.582 -14.114 1.130 119 1HG2 VAL 16 1HG2 VAL 16 6.681 -11.693 2.748 120 2HG2 VAL 16 2HG2 VAL 16 7.548 -10.880 1.448 121 3HG2 VAL 16 3HG2 VAL 16 7.707 -12.623 1.659 122 H ILE 17 H ILE 17 4.803 -10.948 -2.184 123 HA ILE 17 HA ILE 17 2.735 -12.946 -2.541 124 HB ILE 17 HB ILE 17 3.222 -10.592 -4.373 125 1HG1 ILE 17 2HG1 ILE 17 1.939 -10.615 -1.628 126 2HG1 ILE 17 1HG1 ILE 17 3.414 -9.786 -2.102 127 1HG2 ILE 17 1HG2 ILE 17 0.654 -11.824 -3.345 128 2HG2 ILE 17 2HG2 ILE 17 1.420 -12.318 -4.853 129 3HG2 ILE 17 3HG2 ILE 17 0.833 -10.666 -4.661 130 1HD1 ILE 17 1HD1 ILE 17 1.786 -8.100 -2.235 131 2HD1 ILE 17 2HD1 ILE 17 0.582 -9.183 -2.919 132 3HD1 ILE 17 3HD1 ILE 17 1.938 -8.630 -3.904 133 H GLU 18 H GLU 18 4.668 -11.453 -5.138 134 HA GLU 18 HA GLU 18 4.256 -13.387 -7.096 135 1HB GLU 18 2HB GLU 18 7.013 -12.208 -6.794 136 2HB GLU 18 1HB GLU 18 6.037 -12.412 -8.253 137 1HG GLU 18 2HG GLU 18 4.403 -10.739 -7.106 138 2HG GLU 18 1HG GLU 18 5.769 -10.337 -6.086 139 H LYS 19 H LYS 19 6.271 -13.548 -4.278 140 HA LYS 19 HA LYS 19 7.298 -16.231 -5.144 141 1HB LYS 19 2HB LYS 19 8.393 -14.087 -3.395 142 2HB LYS 19 1HB LYS 19 8.653 -15.721 -2.810 143 1HG LYS 19 2HG LYS 19 10.554 -15.231 -4.157 144 2HG LYS 19 1HG LYS 19 9.547 -16.267 -5.144 145 1HD LYS 19 2HD LYS 19 9.801 -14.649 -6.747 146 2HD LYS 19 1HD LYS 19 8.537 -13.810 -5.857 147 1HE LYS 19 2HE LYS 19 10.036 -12.092 -5.697 148 2HE LYS 19 1HE LYS 19 10.880 -13.066 -4.501 149 1HZ LYS 19 1HZ LYS 19 11.356 -13.344 -7.405 150 2HZ LYS 19 2HZ LYS 19 12.304 -13.942 -6.129 151 3HZ LYS 19 3HZ LYS 19 12.238 -12.271 -6.432 152 H ALA 20 H ALA 20 4.714 -15.016 -3.550 153 HA ALA 20 HA ALA 20 4.587 -16.476 -1.119 154 1HB ALA 20 1HB ALA 20 2.474 -15.521 -3.048 155 2HB ALA 20 2HB ALA 20 2.778 -14.989 -1.398 156 3HB ALA 20 3HB ALA 20 2.019 -16.546 -1.701 157 H ASP 21 H ASP 21 3.867 -17.379 -4.435 158 HA ASP 21 HA ASP 21 3.563 -19.451 -5.454 159 1HB ASP 21 2HB ASP 21 5.365 -20.111 -3.129 160 2HB ASP 21 1HB ASP 21 4.792 -21.377 -4.208 161 H ASN 22 H ASN 22 2.297 -18.887 -2.315 162 HA ASN 22 HA ASN 22 0.213 -20.900 -2.853 163 1HB ASN 22 2HB ASN 22 1.213 -20.844 -0.021 164 2HB ASN 22 1HB ASN 22 0.402 -22.140 -0.902 165 1HD2 ASN 22 1HD2 ASN 22 3.366 -20.218 -1.419 166 2HD2 ASN 22 2HD2 ASN 22 4.358 -21.553 -1.704 167 H ALA 23 H ALA 23 -1.765 -20.335 -1.950 168 HA ALA 23 HA ALA 23 -2.352 -17.614 -1.615 169 1HB ALA 23 1HB ALA 23 -4.005 -19.717 -0.242 170 2HB ALA 23 2HB ALA 23 -3.892 -19.685 -2.000 171 3HB ALA 23 3HB ALA 23 -4.535 -18.288 -1.133 172 H ALA 24 H ALA 24 -1.493 -19.971 0.908 173 HA ALA 24 HA ALA 24 -2.292 -18.452 3.158 174 1HB ALA 24 1HB ALA 24 -0.001 -20.390 2.768 175 2HB ALA 24 2HB ALA 24 -1.570 -20.700 3.513 176 3HB ALA 24 3HB ALA 24 -0.388 -19.681 4.335 177 H GLN 25 H GLN 25 0.901 -18.426 1.526 178 HA GLN 25 HA GLN 25 1.995 -16.399 3.208 179 1HB GLN 25 2HB GLN 25 2.841 -16.909 0.374 180 2HB GLN 25 1HB GLN 25 3.821 -16.380 1.731 181 1HG GLN 25 2HG GLN 25 3.160 -18.634 2.830 182 2HG GLN 25 1HG GLN 25 2.650 -19.110 1.203 183 1HE2 GLN 25 1HE2 GLN 25 4.231 -19.767 -0.215 184 2HE2 GLN 25 2HE2 GLN 25 5.902 -19.688 0.074 185 H VAL 26 H VAL 26 -0.238 -16.263 0.599 186 HA VAL 26 HA VAL 26 0.367 -13.538 -0.238 187 HB VAL 26 HB VAL 26 -2.246 -15.053 -0.556 188 1HG1 VAL 26 1HG1 VAL 26 -1.181 -12.808 -2.287 189 2HG1 VAL 26 2HG1 VAL 26 -2.185 -12.478 -0.883 190 3HG1 VAL 26 3HG1 VAL 26 -2.823 -13.441 -2.209 191 1HG2 VAL 26 1HG2 VAL 26 -1.422 -15.627 -2.793 192 2HG2 VAL 26 2HG2 VAL 26 -0.289 -16.208 -1.586 193 3HG2 VAL 26 3HG2 VAL 26 0.076 -14.750 -2.491 194 H LYS 27 H LYS 27 -2.221 -14.957 1.852 195 HA LYS 27 HA LYS 27 -3.399 -12.500 2.606 196 1HB LYS 27 2HB LYS 27 -2.900 -14.920 4.373 197 2HB LYS 27 1HB LYS 27 -3.971 -13.595 4.772 198 1HG LYS 27 2HG LYS 27 -5.635 -14.769 3.757 199 2HG LYS 27 1HG LYS 27 -4.868 -14.393 2.229 200 1HD LYS 27 2HD LYS 27 -5.013 -16.741 2.173 201 2HD LYS 27 1HD LYS 27 -3.369 -16.450 2.712 202 1HE LYS 27 2HE LYS 27 -3.886 -16.956 4.967 203 2HE LYS 27 1HE LYS 27 -5.623 -16.867 4.675 204 1HZ LYS 27 1HZ LYS 27 -5.672 -18.911 3.759 205 2HZ LYS 27 2HZ LYS 27 -4.292 -19.146 4.721 206 3HZ LYS 27 3HZ LYS 27 -4.129 -18.777 3.070 207 H ASP 28 H ASP 28 -0.681 -14.276 3.923 208 HA ASP 28 HA ASP 28 0.023 -12.622 6.079 209 1HB ASP 28 2HB ASP 28 1.880 -14.060 4.146 210 2HB ASP 28 1HB ASP 28 2.302 -13.536 5.776 211 H ALA 29 H ALA 29 0.767 -12.314 2.631 212 HA ALA 29 HA ALA 29 2.514 -10.055 2.949 213 1HB ALA 29 1HB ALA 29 2.523 -11.505 0.936 214 2HB ALA 29 2HB ALA 29 2.312 -9.803 0.526 215 3HB ALA 29 3HB ALA 29 0.925 -10.893 0.509 216 H LEU 30 H LEU 30 -0.750 -10.131 1.454 217 HA LEU 30 HA LEU 30 -1.113 -7.307 1.572 218 1HB LEU 30 2HB LEU 30 -3.293 -9.408 1.591 219 2HB LEU 30 1HB LEU 30 -3.432 -7.743 1.033 220 HG LEU 30 HG LEU 30 -1.781 -9.960 -0.217 221 1HD1 LEU 30 1HD1 LEU 30 -4.154 -8.306 -1.125 222 2HD1 LEU 30 2HD1 LEU 30 -4.099 -10.046 -0.865 223 3HD1 LEU 30 3HD1 LEU 30 -3.213 -9.332 -2.208 224 1HD2 LEU 30 1HD2 LEU 30 -1.351 -8.071 -1.969 225 2HD2 LEU 30 2HD2 LEU 30 -0.387 -8.073 -0.496 226 3HD2 LEU 30 3HD2 LEU 30 -1.755 -6.969 -0.653 227 H THR 31 H THR 31 -1.646 -9.775 4.006 228 HA THR 31 HA THR 31 -3.361 -8.264 5.750 229 HB THR 31 HB THR 31 -1.195 -10.305 6.360 230 HG1 THR 31 1HG THR 31 -3.266 -10.765 5.122 231 1HG2 THR 31 1HG2 THR 31 -2.540 -10.554 8.529 232 2HG2 THR 31 2HG2 THR 31 -3.292 -9.013 8.119 233 3HG2 THR 31 3HG2 THR 31 -1.551 -9.101 8.387 234 H LYS 32 H LYS 32 0.106 -8.489 5.329 235 HA LYS 32 HA LYS 32 0.824 -6.701 7.473 236 1HB LYS 32 2HB LYS 32 2.191 -7.894 5.078 237 2HB LYS 32 1HB LYS 32 3.036 -6.723 6.097 238 1HG LYS 32 2HG LYS 32 1.647 -9.042 7.426 239 2HG LYS 32 1HG LYS 32 3.153 -9.366 6.578 240 1HD LYS 32 2HD LYS 32 3.031 -7.053 8.502 241 2HD LYS 32 1HD LYS 32 3.195 -8.690 9.134 242 1HE LYS 32 2HE LYS 32 5.252 -9.040 8.006 243 2HE LYS 32 1HE LYS 32 5.007 -7.647 6.953 244 1HZ LYS 32 1HZ LYS 32 5.609 -7.658 9.848 245 2HZ LYS 32 2HZ LYS 32 5.040 -6.277 9.038 246 3HZ LYS 32 3HZ LYS 32 6.524 -6.976 8.595 247 H MET 33 H MET 33 0.024 -6.306 4.065 248 HA MET 33 HA MET 33 1.028 -3.636 3.706 249 1HB MET 33 2HB MET 33 -1.296 -5.123 2.482 250 2HB MET 33 1HB MET 33 -0.841 -3.498 1.972 251 1HG MET 33 2HG MET 33 1.492 -4.411 1.554 252 2HG MET 33 1HG MET 33 0.796 -6.020 1.760 253 1HE MET 33 1HE MET 33 1.629 -6.631 -0.494 254 2HE MET 33 2HE MET 33 2.255 -5.034 -0.892 255 3HE MET 33 3HE MET 33 1.218 -5.874 -2.032 256 H ARG 34 H ARG 34 -2.346 -4.642 4.042 257 HA ARG 34 HA ARG 34 -3.520 -2.201 4.619 258 1HB ARG 34 2HB ARG 34 -4.226 -4.992 5.003 259 2HB ARG 34 1HB ARG 34 -4.751 -4.089 6.418 260 1HG ARG 34 2HG ARG 34 -5.753 -2.417 4.624 261 2HG ARG 34 1HG ARG 34 -5.638 -3.804 3.548 262 1HD ARG 34 2HD ARG 34 -6.807 -4.934 5.781 263 2HD ARG 34 1HD ARG 34 -7.499 -3.321 5.792 264 HE ARG 34 HE ARG 34 -7.928 -4.077 3.196 265 1HH1 ARG 34 1HH2 ARG 34 -8.337 -5.578 6.301 266 2HH1 ARG 34 2HH2 ARG 34 -9.790 -6.411 5.869 267 1HH2 ARG 34 1HH1 ARG 34 -9.914 -5.164 2.675 268 2HH2 ARG 34 2HH1 ARG 34 -10.663 -6.183 3.841 269 H ALA 35 H ALA 35 -1.512 -4.172 6.674 270 HA ALA 35 HA ALA 35 -2.053 -2.633 9.103 271 1HB ALA 35 1HB ALA 35 -0.120 -3.841 10.044 272 2HB ALA 35 2HB ALA 35 0.281 -4.461 8.445 273 3HB ALA 35 3HB ALA 35 -1.215 -4.959 9.233 274 H ALA 36 H ALA 36 0.851 -2.885 6.993 275 HA ALA 36 HA ALA 36 2.113 -0.554 8.095 276 1HB ALA 36 1HB ALA 36 3.335 -2.263 6.779 277 2HB ALA 36 2HB ALA 36 3.559 -0.651 6.099 278 3HB ALA 36 3HB ALA 36 2.439 -1.783 5.338 279 H ALA 37 H ALA 37 -0.183 -1.004 5.444 280 HA ALA 37 HA ALA 37 0.012 1.556 4.249 281 1HB ALA 37 1HB ALA 37 -2.598 0.083 4.670 282 2HB ALA 37 2HB ALA 37 -1.403 -0.441 3.483 283 3HB ALA 37 3HB ALA 37 -2.157 1.146 3.334 284 H LEU 38 H LEU 38 -1.747 0.468 7.131 285 HA LEU 38 HA LEU 38 -3.077 2.981 7.584 286 1HB LEU 38 2HB LEU 38 -2.434 0.596 9.322 287 2HB LEU 38 1HB LEU 38 -3.146 2.046 10.029 288 HG LEU 38 HG LEU 38 -4.422 0.844 7.573 289 1HD1 LEU 38 1HD1 LEU 38 -4.918 -0.098 10.415 290 2HD1 LEU 38 2HD1 LEU 38 -4.108 -1.040 9.163 291 3HD1 LEU 38 3HD1 LEU 38 -5.807 -0.608 8.980 292 1HD2 LEU 38 1HD2 LEU 38 -6.428 1.839 8.492 293 2HD2 LEU 38 2HD2 LEU 38 -5.157 3.054 8.586 294 3HD2 LEU 38 3HD2 LEU 38 -5.627 2.161 10.029 295 H ASP 39 H ASP 39 0.120 1.723 8.311 296 HA ASP 39 HA ASP 39 0.739 3.978 10.107 297 1HB ASP 39 2HB ASP 39 1.718 1.594 10.281 298 2HB ASP 39 1HB ASP 39 2.738 2.046 8.916 299 H ALA 40 H ALA 40 1.466 2.965 6.775 300 HA ALA 40 HA ALA 40 3.356 4.985 6.147 301 1HB ALA 40 1HB ALA 40 2.838 4.575 3.840 302 2HB ALA 40 2HB ALA 40 1.219 4.000 4.236 303 3HB ALA 40 3HB ALA 40 2.629 3.031 4.664 304 H GLN 41 H GLN 41 -0.054 5.162 6.705 305 HA GLN 41 HA GLN 41 -0.799 7.484 5.324 306 1HB GLN 41 2HB GLN 41 -2.373 6.127 6.641 307 2HB GLN 41 1HB GLN 41 -1.564 6.599 8.130 308 1HG GLN 41 2HG GLN 41 -2.508 8.829 6.370 309 2HG GLN 41 1HG GLN 41 -3.757 7.899 7.192 310 1HE2 GLN 41 1HE2 GLN 41 -0.886 9.930 7.747 311 2HE2 GLN 41 2HE2 GLN 41 -1.216 10.250 9.382 312 H LYS 42 H LYS 42 0.622 7.244 8.592 313 HA LYS 42 HA LYS 42 0.934 10.085 8.942 314 1HB LYS 42 2HB LYS 42 2.166 7.671 10.278 315 2HB LYS 42 1HB LYS 42 2.685 9.301 10.688 316 1HG LYS 42 2HG LYS 42 1.023 8.824 12.282 317 2HG LYS 42 1HG LYS 42 0.188 9.815 11.093 318 1HD LYS 42 2HD LYS 42 -0.711 7.785 10.029 319 2HD LYS 42 1HD LYS 42 0.152 6.788 11.187 320 1HE LYS 42 2HE LYS 42 -1.131 7.705 13.027 321 2HE LYS 42 1HE LYS 42 -1.903 8.873 11.953 322 1HZ LYS 42 1HZ LYS 42 -3.410 7.374 11.392 323 2HZ LYS 42 2HZ LYS 42 -2.757 6.307 12.542 324 3HZ LYS 42 3HZ LYS 42 -2.217 6.261 10.932 325 H ALA 43 H ALA 43 2.250 8.392 6.549 326 HA ALA 43 HA ALA 43 5.054 9.192 6.829 327 1HB ALA 43 1HB ALA 43 4.303 7.189 5.483 328 2HB ALA 43 2HB ALA 43 5.353 8.298 4.605 329 3HB ALA 43 3HB ALA 43 3.616 8.313 4.309 330 H THR 44 H THR 44 5.867 11.147 6.262 331 HA THR 44 HA THR 44 4.548 12.774 4.191 332 HB THR 44 HB THR 44 3.311 13.310 6.296 333 HG1 THR 44 1HG THR 44 4.987 15.261 5.126 334 1HG2 THR 44 1HG2 THR 44 5.731 13.058 7.565 335 2HG2 THR 44 2HG2 THR 44 4.355 13.923 8.248 336 3HG2 THR 44 3HG2 THR 44 5.617 14.808 7.402 337 HA PRO 45 HA PRO 45 9.299 12.741 4.647 338 1HB PRO 45 2HB PRO 45 8.758 12.838 1.692 339 2HB PRO 45 1HB PRO 45 10.052 12.007 2.573 340 1HG PRO 45 2HG PRO 45 7.931 10.660 1.673 341 2HG PRO 45 1HG PRO 45 8.684 10.272 3.225 342 1HD PRO 45 2HD PRO 45 6.077 11.616 2.708 343 2HD PRO 45 1HD PRO 45 6.595 10.650 4.102 344 HA PRO 46 HA PRO 46 9.071 17.002 2.608 345 1HB PRO 46 2HB PRO 46 6.722 17.789 1.346 346 2HB PRO 46 1HB PRO 46 8.045 16.923 0.549 347 1HG PRO 46 2HG PRO 46 5.392 15.964 1.120 348 2HG PRO 46 1HG PRO 46 6.712 15.112 0.313 349 1HD PRO 46 2HD PRO 46 5.834 14.939 3.134 350 2HD PRO 46 1HD PRO 46 6.714 13.750 2.163 351 H LYS 47 H LYS 47 6.366 15.985 4.443 352 HA LYS 47 HA LYS 47 5.416 16.887 6.378 353 1HB LYS 47 2HB LYS 47 6.892 19.481 5.862 354 2HB LYS 47 1HB LYS 47 6.159 18.928 7.351 355 1HG LYS 47 2HG LYS 47 7.854 17.415 7.827 356 2HG LYS 47 1HG LYS 47 8.308 17.216 6.142 357 1HD LYS 47 2HD LYS 47 9.443 19.306 6.086 358 2HD LYS 47 1HD LYS 47 8.710 19.828 7.603 359 1HE LYS 47 2HE LYS 47 10.486 17.388 7.460 360 2HE LYS 47 1HE LYS 47 11.150 19.003 7.705 361 1HZ LYS 47 1HZ LYS 47 8.899 18.213 9.386 362 2HZ LYS 47 2HZ LYS 47 10.254 19.171 9.760 363 3HZ LYS 47 3HZ LYS 47 10.394 17.478 9.706 364 H LEU 48 H LEU 48 3.338 16.922 5.606 365 HA LEU 48 HA LEU 48 2.471 19.040 3.778 366 1HB LEU 48 2HB LEU 48 1.659 16.454 4.161 367 2HB LEU 48 1HB LEU 48 0.438 17.294 5.107 368 HG LEU 48 HG LEU 48 1.140 18.035 2.254 369 1HD1 LEU 48 1HD1 LEU 48 -0.818 16.775 1.552 370 2HD1 LEU 48 2HD1 LEU 48 -1.186 16.348 3.222 371 3HD1 LEU 48 3HD1 LEU 48 0.256 15.698 2.444 372 1HD2 LEU 48 1HD2 LEU 48 -1.253 19.005 2.450 373 2HD2 LEU 48 2HD2 LEU 48 0.037 19.862 3.289 374 3HD2 LEU 48 3HD2 LEU 48 -1.052 18.809 4.191 375 H GLU 49 H GLU 49 3.243 19.210 6.864 376 HA GLU 49 HA GLU 49 0.839 20.738 7.759 377 1HB GLU 49 2HB GLU 49 3.296 19.718 9.211 378 2HB GLU 49 1HB GLU 49 2.126 20.808 9.955 379 1HG GLU 49 2HG GLU 49 1.337 18.175 8.689 380 2HG GLU 49 1HG GLU 49 1.732 18.335 10.401 381 H ASP 50 H ASP 50 2.797 21.611 5.673 382 HA ASP 50 HA ASP 50 3.378 24.266 6.856 383 1HB ASP 50 2HB ASP 50 5.375 22.568 7.036 384 2HB ASP 50 1HB ASP 50 5.574 22.894 5.317 385 H LYS 51 H LYS 51 3.769 22.282 3.906 386 HA LYS 51 HA LYS 51 3.725 24.546 2.155 387 1HB LYS 51 2HB LYS 51 3.599 22.965 0.380 388 2HB LYS 51 1HB LYS 51 4.569 22.216 1.631 389 1HG LYS 51 2HG LYS 51 2.684 20.883 2.380 390 2HG LYS 51 1HG LYS 51 1.602 21.702 1.263 391 1HD LYS 51 2HD LYS 51 2.224 19.591 0.270 392 2HD LYS 51 1HD LYS 51 3.013 20.880 -0.636 393 1HE LYS 51 2HE LYS 51 5.125 20.408 0.295 394 2HE LYS 51 1HE LYS 51 4.432 19.518 1.653 395 1HZ LYS 51 1HZ LYS 51 3.541 18.208 -0.576 396 2HZ LYS 51 2HZ LYS 51 4.790 17.701 0.457 397 3HZ LYS 51 3HZ LYS 51 5.151 18.591 -0.945 398 H SER 52 H SER 52 1.665 23.844 0.273 399 HA SER 52 HA SER 52 -0.542 25.197 1.523 400 1HB SER 52 2HB SER 52 0.049 25.371 -0.913 401 2HB SER 52 1HB SER 52 -0.525 23.719 -1.118 402 HG SER 52 HG SER 52 -2.092 25.429 -1.545 403 HA PRO 53 HA PRO 53 -2.396 21.324 2.998 404 1HB PRO 53 2HB PRO 53 -4.499 22.314 4.306 405 2HB PRO 53 1HB PRO 53 -2.854 22.721 4.855 406 1HG PRO 53 2HG PRO 53 -4.672 24.309 3.065 407 2HG PRO 53 1HG PRO 53 -3.845 24.836 4.555 408 1HD PRO 53 2HD PRO 53 -2.803 25.318 2.089 409 2HD PRO 53 1HD PRO 53 -1.765 24.986 3.498 410 H ASP 54 H ASP 54 -3.677 23.471 0.715 411 HA ASP 54 HA ASP 54 -5.174 23.186 -1.021 412 1HB ASP 54 2HB ASP 54 -5.787 20.402 -0.040 413 2HB ASP 54 1HB ASP 54 -5.865 21.028 -1.681 414 H SER 55 H SER 55 -7.411 20.981 0.305 415 HA SER 55 HA SER 55 -8.728 22.847 2.070 416 1HB SER 55 2HB SER 55 -9.466 24.157 0.319 417 2HB SER 55 1HB SER 55 -9.438 22.820 -0.827 418 HG SER 55 HG SER 55 -11.330 22.053 0.059 419 HA PRO 56 HA PRO 56 -11.535 18.888 1.095 420 1HB PRO 56 2HB PRO 56 -9.191 17.063 0.686 421 2HB PRO 56 1HB PRO 56 -10.815 16.987 -0.033 422 1HG PRO 56 2HG PRO 56 -8.810 17.858 -1.482 423 2HG PRO 56 1HG PRO 56 -10.354 18.737 -1.523 424 1HD PRO 56 2HD PRO 56 -7.848 19.420 -0.010 425 2HD PRO 56 1HD PRO 56 -8.892 20.501 -0.966 426 H GLU 57 H GLU 57 -10.242 20.095 3.413 427 HA GLU 57 HA GLU 57 -9.688 19.595 5.647 428 1HB GLU 57 2HB GLU 57 -12.038 18.518 5.273 429 2HB GLU 57 1HB GLU 57 -11.166 16.986 5.221 430 1HG GLU 57 2HG GLU 57 -10.204 17.452 7.447 431 2HG GLU 57 1HG GLU 57 -11.069 18.988 7.500 432 H MET 58 H MET 58 -8.098 18.578 3.308 433 HA MET 58 HA MET 58 -6.158 17.358 2.980 434 1HB MET 58 2HB MET 58 -6.257 16.460 5.856 435 2HB MET 58 1HB MET 58 -4.868 16.799 4.838 436 1HG MET 58 2HG MET 58 -4.793 18.813 5.907 437 2HG MET 58 1HG MET 58 -6.138 19.270 4.863 438 1HE MET 58 1HE MET 58 -4.815 17.960 8.056 439 2HE MET 58 2HE MET 58 -6.087 16.746 8.162 440 3HE MET 58 3HE MET 58 -6.093 18.114 9.268 441 H LYS 59 H LYS 59 -9.100 16.222 3.835 442 HA LYS 59 HA LYS 59 -9.009 13.476 4.271 443 1HB LYS 59 2HB LYS 59 -11.046 14.969 4.010 444 2HB LYS 59 1HB LYS 59 -10.794 14.893 2.261 445 1HG LYS 59 2HG LYS 59 -10.862 12.237 3.633 446 2HG LYS 59 1HG LYS 59 -12.378 13.127 3.679 447 1HD LYS 59 2HD LYS 59 -12.482 13.259 1.289 448 2HD LYS 59 1HD LYS 59 -10.825 12.681 1.119 449 1HE LYS 59 2HE LYS 59 -12.410 10.860 0.655 450 2HE LYS 59 1HE LYS 59 -11.490 10.515 2.120 451 1HZ LYS 59 1HZ LYS 59 -13.803 12.019 2.742 452 2HZ LYS 59 2HZ LYS 59 -13.347 10.479 3.297 453 3HZ LYS 59 3HZ LYS 59 -14.239 10.639 1.859 454 H ASP 60 H ASP 60 -8.874 15.192 1.181 455 HA ASP 60 HA ASP 60 -8.716 13.024 -0.557 456 1HB ASP 60 2HB ASP 60 -8.945 15.144 -1.518 457 2HB ASP 60 1HB ASP 60 -7.607 15.825 -0.601 458 H PHE 61 H PHE 61 -6.275 14.223 1.659 459 HA PHE 61 HA PHE 61 -4.100 12.709 0.411 460 1HB PHE 61 2HB PHE 61 -3.941 14.829 1.945 461 2HB PHE 61 1HB PHE 61 -4.111 13.686 3.274 462 HD1 PHE 61 1HD PHE 61 -2.134 12.813 4.179 463 HD2 PHE 61 2HD PHE 61 -2.195 14.032 0.059 464 HE1 PHE 61 1HE PHE 61 0.277 12.262 3.978 465 HE2 PHE 61 2HE PHE 61 0.213 13.479 -0.140 466 HZ PHE 61 HZ PHE 61 1.450 12.594 1.820 467 H ARG 62 H ARG 62 -5.891 12.472 3.472 468 HA ARG 62 HA ARG 62 -5.003 9.894 4.246 469 1HB ARG 62 2HB ARG 62 -7.661 11.255 4.779 470 2HB ARG 62 1HB ARG 62 -7.017 9.904 5.698 471 1HG ARG 62 2HG ARG 62 -5.788 11.309 7.001 472 2HG ARG 62 1HG ARG 62 -4.985 11.977 5.583 473 1HD ARG 62 2HD ARG 62 -6.895 13.516 5.243 474 2HD ARG 62 1HD ARG 62 -7.661 12.858 6.683 475 HE ARG 62 HE ARG 62 -5.377 14.698 6.641 476 1HH1 ARG 62 1HH2 ARG 62 -7.231 12.348 8.358 477 2HH1 ARG 62 2HH2 ARG 62 -6.705 12.880 9.920 478 1HH2 ARG 62 1HH1 ARG 62 -4.679 15.400 8.672 479 2HH2 ARG 62 2HH1 ARG 62 -5.259 14.606 10.096 480 H HIS 63 H HIS 63 -7.505 10.911 1.998 481 HA HIS 63 HA HIS 63 -8.876 8.390 1.749 482 1HB HIS 63 2HB HIS 63 -9.380 10.859 0.789 483 2HB HIS 63 1HB HIS 63 -8.591 10.204 -0.641 484 HD1 HIS 63 1HD HIS 63 -10.706 8.128 1.685 485 HD2 HIS 63 2HD HIS 63 -10.986 9.822 -2.111 486 HE1 HIS 63 1HE HIS 63 -12.784 7.175 0.637 487 H GLY 64 H GLY 64 -6.016 9.735 0.089 488 1HA GLY 64 2HA GLY 64 -5.791 7.620 -1.812 489 2HA GLY 64 1HA GLY 64 -4.446 8.608 -1.249 490 H PHE 65 H PHE 65 -4.845 7.855 1.587 491 HA PHE 65 HA PHE 65 -3.403 5.280 1.486 492 1HB PHE 65 2HB PHE 65 -4.251 7.045 3.804 493 2HB PHE 65 1HB PHE 65 -3.335 5.547 3.987 494 HD1 PHE 65 1HD PHE 65 -3.213 9.043 3.015 495 HD2 PHE 65 2HD PHE 65 -1.059 5.336 2.958 496 HE1 PHE 65 1HE PHE 65 -1.124 10.264 2.505 497 HE2 PHE 65 2HE PHE 65 1.036 6.560 2.441 498 HZ PHE 65 HZ PHE 65 0.997 9.037 2.202 499 H ASP 66 H ASP 66 -6.545 6.517 2.582 500 HA ASP 66 HA ASP 66 -7.463 3.959 3.589 501 1HB ASP 66 2HB ASP 66 -8.441 6.249 4.169 502 2HB ASP 66 1HB ASP 66 -9.194 6.228 2.574 503 H ILE 67 H ILE 67 -8.018 5.786 0.565 504 HA ILE 67 HA ILE 67 -9.628 3.856 -0.728 505 HB ILE 67 HB ILE 67 -7.634 5.861 -1.847 506 1HG1 ILE 67 2HG1 ILE 67 -9.625 6.829 -0.752 507 2HG1 ILE 67 1HG1 ILE 67 -9.691 7.090 -2.491 508 1HG2 ILE 67 1HG2 ILE 67 -7.762 4.212 -3.549 509 2HG2 ILE 67 2HG2 ILE 67 -8.914 5.459 -4.030 510 3HG2 ILE 67 3HG2 ILE 67 -9.490 3.964 -3.293 511 1HD1 ILE 67 1HD1 ILE 67 -11.426 5.409 -0.755 512 2HD1 ILE 67 2HD1 ILE 67 -11.056 4.742 -2.343 513 3HD1 ILE 67 3HD1 ILE 67 -11.832 6.314 -2.208 514 H LEU 68 H LEU 68 -6.119 4.133 -0.460 515 HA LEU 68 HA LEU 68 -5.374 2.068 -2.245 516 1HB LEU 68 2HB LEU 68 -3.660 3.472 -1.343 517 2HB LEU 68 1HB LEU 68 -4.136 3.113 0.313 518 HG LEU 68 HG LEU 68 -3.325 0.829 0.106 519 1HD1 LEU 68 1HD1 LEU 68 -2.025 0.306 -2.098 520 2HD1 LEU 68 2HD1 LEU 68 -2.997 1.599 -2.798 521 3HD1 LEU 68 3HD1 LEU 68 -3.780 0.171 -2.120 522 1HD2 LEU 68 1HD2 LEU 68 -1.351 2.842 -1.015 523 2HD2 LEU 68 2HD2 LEU 68 -0.920 1.298 -0.280 524 3HD2 LEU 68 3HD2 LEU 68 -1.680 2.556 0.694 525 H VAL 69 H VAL 69 -6.264 1.902 1.213 526 HA VAL 69 HA VAL 69 -5.854 -0.895 1.512 527 HB VAL 69 HB VAL 69 -7.605 1.127 2.915 528 1HG1 VAL 69 1HG1 VAL 69 -8.897 -0.759 3.335 529 2HG1 VAL 69 2HG1 VAL 69 -7.763 -0.817 4.683 530 3HG1 VAL 69 3HG1 VAL 69 -7.517 -1.851 3.276 531 1HG2 VAL 69 1HG2 VAL 69 -5.237 1.337 3.364 532 2HG2 VAL 69 2HG2 VAL 69 -5.087 -0.395 3.655 533 3HG2 VAL 69 3HG2 VAL 69 -5.990 0.614 4.785 534 H GLY 70 H GLY 70 -8.250 0.904 -0.172 535 1HA GLY 70 2HA GLY 70 -10.378 -1.049 0.036 536 2HA GLY 70 1HA GLY 70 -10.314 0.282 -1.089 537 H GLN 71 H GLN 71 -7.881 -0.362 -2.410 538 HA GLN 71 HA GLN 71 -8.894 -2.487 -4.159 539 1HB GLN 71 2HB GLN 71 -7.456 -1.672 -5.760 540 2HB GLN 71 1HB GLN 71 -7.506 -0.254 -4.724 541 1HG GLN 71 2HG GLN 71 -5.219 -0.511 -5.012 542 2HG GLN 71 1HG GLN 71 -5.447 -1.413 -3.530 543 1HE2 GLN 71 1HE2 GLN 71 -6.810 -3.673 -5.070 544 2HE2 GLN 71 2HE2 GLN 71 -5.536 -4.488 -5.836 545 H ILE 72 H ILE 72 -6.470 -2.088 -1.700 546 HA ILE 72 HA ILE 72 -5.277 -4.714 -2.140 547 HB ILE 72 HB ILE 72 -5.072 -2.556 -0.035 548 1HG1 ILE 72 2HG1 ILE 72 -2.942 -4.169 -1.434 549 2HG1 ILE 72 1HG1 ILE 72 -3.652 -2.726 -2.151 550 1HG2 ILE 72 1HG2 ILE 72 -4.199 -5.445 0.300 551 2HG2 ILE 72 2HG2 ILE 72 -5.216 -4.501 1.386 552 3HG2 ILE 72 3HG2 ILE 72 -3.503 -4.118 1.230 553 1HD1 ILE 72 1HD1 ILE 72 -2.547 -2.593 0.646 554 2HD1 ILE 72 2HD1 ILE 72 -2.714 -1.312 -0.550 555 3HD1 ILE 72 3HD1 ILE 72 -1.447 -2.521 -0.730 556 H ASP 73 H ASP 73 -7.942 -3.304 -0.360 557 HA ASP 73 HA ASP 73 -8.419 -5.472 1.427 558 1HB ASP 73 2HB ASP 73 -9.633 -3.533 1.959 559 2HB ASP 73 1HB ASP 73 -10.080 -3.262 0.272 560 H ASP 74 H ASP 74 -9.881 -4.830 -1.792 561 HA ASP 74 HA ASP 74 -11.364 -7.278 -1.886 562 1HB ASP 74 2HB ASP 74 -11.767 -5.383 -3.442 563 2HB ASP 74 1HB ASP 74 -10.202 -5.684 -4.200 564 H ALA 75 H ALA 75 -8.002 -6.510 -2.660 565 HA ALA 75 HA ALA 75 -7.516 -9.068 -3.933 566 1HB ALA 75 1HB ALA 75 -5.998 -7.261 -4.467 567 2HB ALA 75 2HB ALA 75 -5.079 -8.452 -3.545 568 3HB ALA 75 3HB ALA 75 -5.651 -6.980 -2.760 569 H LEU 76 H LEU 76 -7.310 -7.773 -0.649 570 HA LEU 76 HA LEU 76 -5.903 -9.873 0.578 571 1HB LEU 76 2HB LEU 76 -7.196 -7.565 1.384 572 2HB LEU 76 1HB LEU 76 -8.263 -8.779 2.055 573 HG LEU 76 HG LEU 76 -5.485 -9.494 2.651 574 1HD1 LEU 76 1HD1 LEU 76 -5.177 -7.011 2.402 575 2HD1 LEU 76 2HD1 LEU 76 -4.817 -7.630 4.014 576 3HD1 LEU 76 3HD1 LEU 76 -6.341 -6.795 3.709 577 1HD2 LEU 76 1HD2 LEU 76 -7.821 -8.659 4.396 578 2HD2 LEU 76 2HD2 LEU 76 -6.332 -9.397 4.985 579 3HD2 LEU 76 3HD2 LEU 76 -7.410 -10.309 3.928 580 H LYS 77 H LYS 77 -9.146 -9.621 -0.642 581 HA LYS 77 HA LYS 77 -10.222 -12.009 0.523 582 1HB LYS 77 2HB LYS 77 -11.472 -10.016 -0.522 583 2HB LYS 77 1HB LYS 77 -11.049 -10.719 -2.087 584 1HG LYS 77 2HG LYS 77 -13.127 -11.710 -1.686 585 2HG LYS 77 1HG LYS 77 -12.012 -12.924 -1.058 586 1HD LYS 77 2HD LYS 77 -12.345 -11.369 1.182 587 2HD LYS 77 1HD LYS 77 -13.913 -11.152 0.412 588 1HE LYS 77 2HE LYS 77 -14.156 -13.632 0.280 589 2HE LYS 77 1HE LYS 77 -12.609 -13.807 1.116 590 1HZ LYS 77 1HZ LYS 77 -13.546 -13.346 3.067 591 2HZ LYS 77 2HZ LYS 77 -15.044 -13.595 2.305 592 3HZ LYS 77 3HZ LYS 77 -14.415 -12.024 2.454 593 H LEU 78 H LEU 78 -8.897 -11.209 -2.686 594 HA LEU 78 HA LEU 78 -9.167 -13.774 -3.847 595 1HB LEU 78 2HB LEU 78 -7.488 -11.348 -4.321 596 2HB LEU 78 1HB LEU 78 -6.913 -12.835 -5.079 597 HG LEU 78 HG LEU 78 -9.097 -13.146 -6.167 598 1HD1 LEU 78 1HD1 LEU 78 -9.810 -10.711 -4.527 599 2HD1 LEU 78 2HD1 LEU 78 -10.686 -12.233 -4.680 600 3HD1 LEU 78 3HD1 LEU 78 -10.683 -11.083 -6.014 601 1HD2 LEU 78 1HD2 LEU 78 -8.430 -10.253 -6.705 602 2HD2 LEU 78 2HD2 LEU 78 -8.746 -11.558 -7.849 603 3HD2 LEU 78 3HD2 LEU 78 -7.197 -11.476 -7.010 604 H ALA 79 H ALA 79 -6.746 -12.430 -1.692 605 HA ALA 79 HA ALA 79 -4.865 -14.598 -1.843 606 1HB ALA 79 1HB ALA 79 -3.948 -13.679 0.198 607 2HB ALA 79 2HB ALA 79 -5.463 -12.856 0.569 608 3HB ALA 79 3HB ALA 79 -4.482 -12.322 -0.789 609 H ASN 80 H ASN 80 -7.535 -13.871 0.416 610 HA ASN 80 HA ASN 80 -7.269 -16.373 1.831 611 1HB ASN 80 2HB ASN 80 -8.415 -14.049 2.504 612 2HB ASN 80 1HB ASN 80 -9.863 -14.856 1.896 613 1HD2 ASN 80 1HD2 ASN 80 -7.006 -15.758 3.891 614 2HD2 ASN 80 2HD2 ASN 80 -7.877 -16.637 5.018 615 H GLU 81 H GLU 81 -8.737 -15.593 -1.181 616 HA GLU 81 HA GLU 81 -10.681 -17.835 -0.989 617 1HB GLU 81 2HB GLU 81 -10.163 -15.692 -3.045 618 2HB GLU 81 1HB GLU 81 -11.226 -17.056 -3.377 619 1HG GLU 81 2HG GLU 81 -11.551 -15.284 -0.945 620 2HG GLU 81 1HG GLU 81 -12.379 -14.972 -2.472 621 H GLY 82 H GLY 82 -7.459 -17.372 -1.952 622 1HA GLY 82 2HA GLY 82 -6.071 -19.232 -2.618 623 2HA GLY 82 1HA GLY 82 -7.483 -20.036 -3.285 624 H LYS 83 H LYS 83 -7.296 -16.723 -4.138 625 HA LYS 83 HA LYS 83 -6.511 -17.506 -6.906 626 1HB LYS 83 2HB LYS 83 -7.411 -14.741 -6.160 627 2HB LYS 83 1HB LYS 83 -7.610 -15.593 -7.676 628 1HG LYS 83 2HG LYS 83 -9.086 -16.087 -5.104 629 2HG LYS 83 1HG LYS 83 -9.748 -15.499 -6.619 630 1HD LYS 83 2HD LYS 83 -8.855 -17.732 -7.627 631 2HD LYS 83 1HD LYS 83 -8.787 -18.277 -5.954 632 1HE LYS 83 2HE LYS 83 -10.933 -18.946 -6.646 633 2HE LYS 83 1HE LYS 83 -11.242 -17.429 -5.802 634 1HZ LYS 83 1HZ LYS 83 -11.714 -18.080 -8.510 635 2HZ LYS 83 2HZ LYS 83 -10.634 -16.770 -8.422 636 3HZ LYS 83 3HZ LYS 83 -12.151 -16.678 -7.661 637 H VAL 84 H VAL 84 -4.296 -17.750 -6.395 638 HA VAL 84 HA VAL 84 -2.683 -15.567 -5.346 639 HB VAL 84 HB VAL 84 -1.750 -18.070 -6.781 640 1HG1 VAL 84 1HG1 VAL 84 -0.045 -16.315 -6.555 641 2HG1 VAL 84 2HG1 VAL 84 0.315 -17.662 -5.474 642 3HG1 VAL 84 3HG1 VAL 84 -0.397 -16.181 -4.832 643 1HG2 VAL 84 1HG2 VAL 84 -3.059 -18.846 -4.958 644 2HG2 VAL 84 2HG2 VAL 84 -2.511 -17.540 -3.910 645 3HG2 VAL 84 3HG2 VAL 84 -1.404 -18.839 -4.348 646 H LYS 85 H LYS 85 -2.791 -17.151 -8.560 647 HA LYS 85 HA LYS 85 -1.097 -15.371 -9.904 648 1HB LYS 85 2HB LYS 85 -3.638 -16.691 -10.920 649 2HB LYS 85 1HB LYS 85 -2.472 -15.874 -11.954 650 1HG LYS 85 2HG LYS 85 -1.564 -17.986 -12.137 651 2HG LYS 85 1HG LYS 85 -0.776 -17.552 -10.625 652 1HD LYS 85 2HD LYS 85 -2.514 -18.687 -9.344 653 2HD LYS 85 1HD LYS 85 -3.435 -19.008 -10.812 654 1HE LYS 85 2HE LYS 85 -1.805 -20.529 -11.629 655 2HE LYS 85 1HE LYS 85 -0.599 -19.984 -10.465 656 1HZ LYS 85 1HZ LYS 85 -1.294 -21.760 -9.314 657 2HZ LYS 85 2HZ LYS 85 -2.782 -21.855 -10.130 658 3HZ LYS 85 3HZ LYS 85 -2.580 -20.756 -8.850 659 H GLU 86 H GLU 86 -4.520 -14.999 -9.093 660 HA GLU 86 HA GLU 86 -4.846 -12.469 -10.437 661 1HB GLU 86 2HB GLU 86 -6.430 -13.656 -8.126 662 2HB GLU 86 1HB GLU 86 -6.922 -12.294 -9.137 663 1HG GLU 86 2HG GLU 86 -8.036 -14.200 -10.051 664 2HG GLU 86 1HG GLU 86 -6.714 -13.823 -11.151 665 H ALA 87 H ALA 87 -4.158 -13.439 -7.062 666 HA ALA 87 HA ALA 87 -4.080 -10.732 -6.078 667 1HB ALA 87 1HB ALA 87 -3.093 -11.658 -4.082 668 2HB ALA 87 2HB ALA 87 -2.565 -13.099 -4.952 669 3HB ALA 87 3HB ALA 87 -4.284 -12.823 -4.663 670 H GLN 88 H GLN 88 -1.666 -12.901 -7.367 671 HA GLN 88 HA GLN 88 0.692 -11.379 -6.879 672 1HB GLN 88 2HB GLN 88 1.143 -13.551 -7.510 673 2HB GLN 88 1HB GLN 88 -0.217 -13.625 -8.621 674 1HG GLN 88 2HG GLN 88 0.971 -12.670 -10.380 675 2HG GLN 88 1HG GLN 88 2.121 -11.906 -9.300 676 1HE2 GLN 88 1HE2 GLN 88 1.180 -15.288 -8.867 677 2HE2 GLN 88 2HE2 GLN 88 2.663 -15.948 -9.308 678 H ALA 89 H ALA 89 -1.057 -11.704 -9.987 679 HA ALA 89 HA ALA 89 0.243 -9.675 -11.395 680 1HB ALA 89 1HB ALA 89 -2.739 -10.186 -11.577 681 2HB ALA 89 2HB ALA 89 -1.529 -11.249 -12.296 682 3HB ALA 89 3HB ALA 89 -1.677 -9.580 -12.848 683 H ALA 90 H ALA 90 -2.358 -9.335 -8.993 684 HA ALA 90 HA ALA 90 -2.861 -6.543 -9.464 685 1HB ALA 90 1HB ALA 90 -3.230 -8.388 -7.107 686 2HB ALA 90 2HB ALA 90 -4.451 -7.530 -8.045 687 3HB ALA 90 3HB ALA 90 -3.450 -6.651 -6.889 688 H ALA 91 H ALA 91 -0.425 -8.308 -7.619 689 HA ALA 91 HA ALA 91 0.757 -6.228 -6.145 690 1HB ALA 91 1HB ALA 91 2.360 -8.278 -7.695 691 2HB ALA 91 2HB ALA 91 1.468 -8.689 -6.230 692 3HB ALA 91 3HB ALA 91 2.780 -7.515 -6.165 693 H GLU 92 H GLU 92 1.226 -7.083 -9.580 694 HA GLU 92 HA GLU 92 3.127 -5.009 -10.130 695 1HB GLU 92 2HB GLU 92 1.324 -6.758 -11.759 696 2HB GLU 92 1HB GLU 92 1.942 -5.303 -12.544 697 1HG GLU 92 2HG GLU 92 4.175 -5.991 -12.372 698 2HG GLU 92 1HG GLU 92 3.841 -7.099 -11.041 699 H GLN 93 H GLN 93 -0.315 -5.022 -9.641 700 HA GLN 93 HA GLN 93 -0.799 -2.436 -10.886 701 1HB GLN 93 2HB GLN 93 -2.529 -4.307 -10.293 702 2HB GLN 93 1HB GLN 93 -2.457 -3.670 -8.657 703 1HG GLN 93 2HG GLN 93 -2.901 -1.609 -10.766 704 2HG GLN 93 1HG GLN 93 -4.203 -2.776 -10.573 705 1HE2 GLN 93 1HE2 GLN 93 -2.073 -1.549 -7.944 706 2HE2 GLN 93 2HE2 GLN 93 -3.326 -0.804 -7.070 707 H LEU 94 H LEU 94 -0.018 -3.713 -7.708 708 HA LEU 94 HA LEU 94 -0.203 -1.223 -6.279 709 1HB LEU 94 2HB LEU 94 1.096 -3.886 -5.765 710 2HB LEU 94 1HB LEU 94 1.459 -2.529 -4.700 711 HG LEU 94 HG LEU 94 -1.008 -2.232 -4.337 712 1HD1 LEU 94 1HD1 LEU 94 -1.093 -4.821 -5.906 713 2HD1 LEU 94 2HD1 LEU 94 -1.859 -3.300 -6.355 714 3HD1 LEU 94 3HD1 LEU 94 -2.436 -4.203 -4.953 715 1HD2 LEU 94 1HD2 LEU 94 0.516 -3.589 -2.842 716 2HD2 LEU 94 2HD2 LEU 94 -0.038 -5.022 -3.714 717 3HD2 LEU 94 3HD2 LEU 94 -1.175 -4.061 -2.789 718 H LYS 95 H LYS 95 2.502 -2.994 -7.780 719 HA LYS 95 HA LYS 95 4.617 -1.281 -7.085 720 1HB LYS 95 2HB LYS 95 4.085 -2.746 -9.699 721 2HB LYS 95 1HB LYS 95 5.633 -2.013 -9.270 722 1HG LYS 95 2HG LYS 95 5.118 -3.535 -7.014 723 2HG LYS 95 1HG LYS 95 4.377 -4.520 -8.258 724 1HD LYS 95 2HD LYS 95 6.651 -5.250 -8.045 725 2HD LYS 95 1HD LYS 95 6.536 -4.362 -9.562 726 1HE LYS 95 2HE LYS 95 7.827 -2.597 -8.776 727 2HE LYS 95 1HE LYS 95 7.285 -2.794 -7.107 728 1HZ LYS 95 1HZ LYS 95 8.620 -4.806 -6.960 729 2HZ LYS 95 2HZ LYS 95 9.577 -3.458 -7.353 730 3HZ LYS 95 3HZ LYS 95 9.160 -4.586 -8.554 731 H THR 96 H THR 96 2.151 -0.944 -9.598 732 HA THR 96 HA THR 96 3.208 1.559 -10.644 733 HB THR 96 HB THR 96 0.481 0.243 -10.870 734 HG1 THR 96 1HG THR 96 1.289 -0.119 -13.013 735 1HG2 THR 96 1HG2 THR 96 0.093 2.565 -11.214 736 2HG2 THR 96 2HG2 THR 96 0.261 1.876 -12.829 737 3HG2 THR 96 3HG2 THR 96 1.604 2.761 -12.103 738 H THR 97 H THR 97 0.919 0.655 -8.075 739 HA THR 97 HA THR 97 -0.251 3.226 -7.695 740 HB THR 97 HB THR 97 0.303 0.946 -5.799 741 HG1 THR 97 1HG THR 97 -1.947 2.147 -6.986 742 1HG2 THR 97 1HG2 THR 97 -0.715 3.697 -5.135 743 2HG2 THR 97 2HG2 THR 97 0.552 2.770 -4.327 744 3HG2 THR 97 3HG2 THR 97 -1.139 2.289 -4.158 745 H ILE 98 H ILE 98 2.676 1.734 -6.332 746 HA ILE 98 HA ILE 98 3.619 3.765 -4.687 747 HB ILE 98 HB ILE 98 5.164 2.078 -6.644 748 1HG1 ILE 98 2HG1 ILE 98 3.556 0.994 -4.846 749 2HG1 ILE 98 1HG1 ILE 98 5.169 0.346 -5.078 750 1HG2 ILE 98 1HG2 ILE 98 5.997 3.707 -4.247 751 2HG2 ILE 98 2HG2 ILE 98 6.652 3.753 -5.884 752 3HG2 ILE 98 3HG2 ILE 98 6.982 2.369 -4.841 753 1HD1 ILE 98 1HD1 ILE 98 4.697 2.512 -3.039 754 2HD1 ILE 98 2HD1 ILE 98 5.981 1.307 -3.092 755 3HD1 ILE 98 3HD1 ILE 98 4.343 0.829 -2.648 756 H ARG 99 H ARG 99 3.860 3.443 -8.227 757 HA ARG 99 HA ARG 99 5.446 5.776 -8.610 758 1HB ARG 99 2HB ARG 99 5.093 4.027 -10.346 759 2HB ARG 99 1HB ARG 99 3.430 4.580 -10.525 760 1HG ARG 99 2HG ARG 99 4.049 6.363 -11.816 761 2HG ARG 99 1HG ARG 99 5.329 6.828 -10.697 762 1HD ARG 99 2HD ARG 99 6.746 4.980 -11.684 763 2HD ARG 99 1HD ARG 99 5.490 4.751 -12.903 764 HE ARG 99 HE ARG 99 6.135 7.497 -12.888 765 1HH1 ARG 99 1HH2 ARG 99 7.609 4.439 -13.482 766 2HH1 ARG 99 2HH2 ARG 99 8.715 5.051 -14.666 767 1HH2 ARG 99 1HH1 ARG 99 7.572 8.317 -14.433 768 2HH2 ARG 99 2HH1 ARG 99 8.695 7.247 -15.204 769 H ALA 100 H ALA 100 1.914 5.311 -9.007 770 HA ALA 100 HA ALA 100 1.311 8.089 -9.379 771 1HB ALA 100 1HB ALA 100 -1.025 7.369 -8.647 772 2HB ALA 100 2HB ALA 100 -0.355 5.755 -8.405 773 3HB ALA 100 3HB ALA 100 -0.352 6.479 -10.013 774 H TYR 101 H TYR 101 2.133 6.254 -6.580 775 HA TYR 101 HA TYR 101 0.850 8.026 -4.675 776 1HB TYR 101 2HB TYR 101 1.348 5.827 -3.895 777 2HB TYR 101 1HB TYR 101 2.990 5.932 -4.484 778 HD1 TYR 101 1HD TYR 101 4.651 7.355 -3.405 779 HD2 TYR 101 2HD TYR 101 0.744 6.757 -1.746 780 HE1 TYR 101 1HE TYR 101 5.443 8.230 -1.234 781 HE2 TYR 101 2HE TYR 101 1.533 7.628 0.432 782 HH TYR 101 HH TYR 101 4.411 9.314 0.810 783 H ASN 102 H ASN 102 3.919 7.841 -6.386 784 HA ASN 102 HA ASN 102 5.250 9.796 -4.769 785 1HB ASN 102 2HB ASN 102 6.906 8.836 -5.949 786 2HB ASN 102 1HB ASN 102 5.836 8.375 -7.270 787 1HD2 ASN 102 1HD2 ASN 102 6.424 11.741 -6.126 788 2HD2 ASN 102 2HD2 ASN 102 7.162 12.263 -7.565 789 H GLN 103 H GLN 103 3.276 10.177 -7.775 790 HA GLN 103 HA GLN 103 3.843 13.002 -7.866 791 1HB GLN 103 2HB GLN 103 1.693 13.208 -9.178 792 2HB GLN 103 1HB GLN 103 2.839 12.050 -9.845 793 1HG GLN 103 2HG GLN 103 0.751 10.942 -9.906 794 2HG GLN 103 1HG GLN 103 1.580 10.279 -8.505 795 1HE2 GLN 103 1HE2 GLN 103 0.533 10.505 -6.487 796 2HE2 GLN 103 2HE2 GLN 103 -0.832 11.473 -6.229 797 H LYS 104 H LYS 104 2.145 11.002 -5.764 798 HA LYS 104 HA LYS 104 0.465 13.147 -4.622 799 1HB LYS 104 2HB LYS 104 -0.692 11.358 -3.831 800 2HB LYS 104 1HB LYS 104 0.539 10.275 -4.444 801 1HG LYS 104 2HG LYS 104 1.816 10.535 -2.349 802 2HG LYS 104 1HG LYS 104 0.622 11.662 -1.756 803 1HD LYS 104 2HD LYS 104 -0.002 8.820 -2.560 804 2HD LYS 104 1HD LYS 104 0.342 9.326 -0.915 805 1HE LYS 104 2HE LYS 104 -2.054 9.958 -2.616 806 2HE LYS 104 1HE LYS 104 -1.997 9.377 -0.957 807 1HZ LYS 104 1HZ LYS 104 -2.631 11.696 -1.038 808 2HZ LYS 104 2HZ LYS 104 -1.202 12.089 -1.869 809 3HZ LYS 104 3HZ LYS 104 -1.131 11.524 -0.267 810 H TYR 105 H TYR 105 3.574 11.548 -4.085 811 HA TYR 105 HA TYR 105 4.054 13.186 -1.683 812 1HB TYR 105 2HB TYR 105 5.197 11.344 -1.024 813 2HB TYR 105 1HB TYR 105 5.027 10.636 -2.620 814 HD1 TYR 105 1HD TYR 105 6.573 11.677 -4.451 815 HD2 TYR 105 2HD TYR 105 7.364 11.847 -0.256 816 HE1 TYR 105 1HE TYR 105 8.987 12.036 -4.936 817 HE2 TYR 105 2HE TYR 105 9.776 12.211 -0.716 818 HH TYR 105 HH TYR 105 11.383 11.978 -2.390 819 H GLY 106 H GLY 106 4.060 13.833 -4.802 820 1HA GLY 106 2HA GLY 106 6.695 15.126 -5.032 821 2HA GLY 106 1HA GLY 106 5.407 15.171 -6.238 Start of MODEL 9 1 1H ALA 1 1HT ALA 1 14.408 5.492 11.973 2 2H ALA 1 2HT ALA 1 15.459 6.567 11.182 3 3H ALA 1 3HT ALA 1 16.041 5.083 11.768 4 HA ALA 1 HA ALA 1 14.618 5.682 9.319 5 1HB ALA 1 1HB ALA 1 16.348 3.339 10.169 6 2HB ALA 1 2HB ALA 1 16.981 4.841 9.495 7 3HB ALA 1 3HB ALA 1 15.939 3.807 8.518 8 H ASP 2 H ASP 2 12.807 5.166 11.468 9 HA ASP 2 HA ASP 2 11.954 2.353 11.221 10 1HB ASP 2 2HB ASP 2 11.013 4.762 12.766 11 2HB ASP 2 1HB ASP 2 9.967 3.348 12.617 12 H LEU 3 H LEU 3 11.188 5.469 9.863 13 HA LEU 3 HA LEU 3 8.686 4.444 8.686 14 1HB LEU 3 2HB LEU 3 8.195 6.642 8.000 15 2HB LEU 3 1HB LEU 3 9.001 6.865 9.545 16 HG LEU 3 HG LEU 3 11.159 7.022 7.936 17 1HD1 LEU 3 1HD1 LEU 3 10.773 7.788 5.778 18 2HD1 LEU 3 2HD1 LEU 3 9.193 8.461 6.181 19 3HD1 LEU 3 3HD1 LEU 3 9.378 6.727 5.954 20 1HD2 LEU 3 1HD2 LEU 3 10.676 8.789 9.453 21 2HD2 LEU 3 2HD2 LEU 3 9.166 9.183 8.628 22 3HD2 LEU 3 3HD2 LEU 3 10.712 9.546 7.860 23 H GLU 4 H GLU 4 12.018 5.135 7.866 24 HA GLU 4 HA GLU 4 11.729 4.785 5.006 25 1HB GLU 4 2HB GLU 4 14.141 4.238 6.771 26 2HB GLU 4 1HB GLU 4 14.157 4.430 5.024 27 1HG GLU 4 2HG GLU 4 13.159 6.604 6.865 28 2HG GLU 4 1HG GLU 4 14.842 6.489 6.362 29 H ASP 5 H ASP 5 11.892 2.866 7.847 30 HA ASP 5 HA ASP 5 12.576 0.370 6.539 31 1HB ASP 5 2HB ASP 5 13.020 0.452 8.861 32 2HB ASP 5 1HB ASP 5 11.447 1.158 9.223 33 H ASN 6 H ASN 6 9.602 2.076 7.384 34 HA ASN 6 HA ASN 6 7.734 0.018 6.827 35 1HB ASN 6 2HB ASN 6 6.533 1.786 7.669 36 2HB ASN 6 1HB ASN 6 7.711 2.957 7.095 37 1HD2 ASN 6 1HD2 ASN 6 7.628 3.126 4.497 38 2HD2 ASN 6 2HD2 ASN 6 6.065 3.259 3.849 39 H TRP 7 H TRP 7 9.357 2.335 4.675 40 HA TRP 7 HA TRP 7 7.982 1.664 2.276 41 1HB TRP 7 2HB TRP 7 10.756 2.720 2.865 42 2HB TRP 7 1HB TRP 7 10.297 2.319 1.210 43 HD1 TRP 7 HD TRP 7 8.827 4.412 4.132 44 HE1 TRP 7 1HE TRP 7 7.766 6.537 3.146 45 HE3 TRP 7 3HE TRP 7 9.627 3.551 -0.834 46 HZ2 TRP 7 2HZ TRP 7 7.314 7.718 0.581 47 HZ3 TRP 7 3HZ TRP 7 8.872 5.195 -2.528 48 HH2 TRP 7 HH TRP 7 7.718 7.275 -1.828 49 H GLU 8 H GLU 8 10.940 0.224 3.693 50 HA GLU 8 HA GLU 8 11.283 -1.710 1.632 51 1HB GLU 8 2HB GLU 8 12.991 -1.118 3.359 52 2HB GLU 8 1HB GLU 8 11.989 -1.929 4.564 53 1HG GLU 8 2HG GLU 8 12.231 -4.021 3.509 54 2HG GLU 8 1HG GLU 8 12.944 -3.313 2.064 55 H THR 9 H THR 9 9.184 -1.519 4.441 56 HA THR 9 HA THR 9 8.475 -4.309 4.499 57 HB THR 9 HB THR 9 6.878 -1.933 5.502 58 HG1 THR 9 1HG THR 9 8.081 -2.037 7.231 59 1HG2 THR 9 1HG2 THR 9 6.733 -4.889 6.130 60 2HG2 THR 9 2HG2 THR 9 5.510 -3.940 5.285 61 3HG2 THR 9 3HG2 THR 9 5.844 -3.630 6.988 62 H LEU 10 H LEU 10 6.476 -1.523 3.357 63 HA LEU 10 HA LEU 10 4.595 -3.200 2.052 64 1HB LEU 10 2HB LEU 10 3.971 -1.229 0.687 65 2HB LEU 10 1HB LEU 10 4.083 -0.860 2.401 66 HG LEU 10 HG LEU 10 6.621 -0.248 1.676 67 1HD1 LEU 10 1HD1 LEU 10 6.377 -0.701 -0.698 68 2HD1 LEU 10 2HD1 LEU 10 6.488 1.041 -0.481 69 3HD1 LEU 10 3HD1 LEU 10 4.923 0.291 -0.779 70 1HD2 LEU 10 1HD2 LEU 10 5.214 1.300 2.870 71 2HD2 LEU 10 2HD2 LEU 10 4.156 1.496 1.472 72 3HD2 LEU 10 3HD2 LEU 10 5.797 2.138 1.431 73 H ASN 11 H ASN 11 7.770 -2.058 1.074 74 HA ASN 11 HA ASN 11 7.525 -2.893 -1.696 75 1HB ASN 11 2HB ASN 11 9.280 -1.298 -0.770 76 2HB ASN 11 1HB ASN 11 10.099 -2.718 -0.110 77 1HD2 ASN 11 1HD2 ASN 11 8.638 -1.704 -3.270 78 2HD2 ASN 11 2HD2 ASN 11 9.871 -2.376 -4.223 79 H ASP 12 H ASP 12 9.417 -4.352 0.967 80 HA ASP 12 HA ASP 12 9.939 -6.817 -0.336 81 1HB ASP 12 2HB ASP 12 11.209 -6.256 1.614 82 2HB ASP 12 1HB ASP 12 9.758 -6.087 2.600 83 H ASN 13 H ASN 13 6.993 -5.606 0.819 84 HA ASN 13 HA ASN 13 5.727 -8.104 1.565 85 1HB ASN 13 2HB ASN 13 4.995 -5.278 1.226 86 2HB ASN 13 1HB ASN 13 3.744 -6.337 0.643 87 1HD2 ASN 13 1HD2 ASN 13 3.963 -4.525 3.118 88 2HD2 ASN 13 2HD2 ASN 13 3.497 -5.541 4.405 89 H LEU 14 H LEU 14 5.582 -5.976 -1.281 90 HA LEU 14 HA LEU 14 3.999 -7.599 -2.942 91 1HB LEU 14 2HB LEU 14 6.237 -5.704 -3.685 92 2HB LEU 14 1HB LEU 14 5.020 -6.314 -4.808 93 HG LEU 14 HG LEU 14 4.102 -4.991 -2.257 94 1HD1 LEU 14 1HD1 LEU 14 5.055 -3.540 -4.735 95 2HD1 LEU 14 2HD1 LEU 14 5.707 -3.386 -3.105 96 3HD1 LEU 14 3HD1 LEU 14 4.080 -2.806 -3.464 97 1HD2 LEU 14 1HD2 LEU 14 2.215 -4.363 -3.676 98 2HD2 LEU 14 2HD2 LEU 14 2.491 -6.096 -3.803 99 3HD2 LEU 14 3HD2 LEU 14 3.023 -5.019 -5.094 100 H LYS 15 H LYS 15 7.383 -7.942 -2.098 101 HA LYS 15 HA LYS 15 8.052 -9.601 -4.364 102 1HB LYS 15 2HB LYS 15 9.800 -8.568 -2.970 103 2HB LYS 15 1HB LYS 15 9.286 -9.541 -1.595 104 1HG LYS 15 2HG LYS 15 9.743 -11.336 -3.837 105 2HG LYS 15 1HG LYS 15 11.141 -10.274 -3.690 106 1HD LYS 15 2HD LYS 15 9.980 -11.731 -1.304 107 2HD LYS 15 1HD LYS 15 11.212 -12.448 -2.342 108 1HE LYS 15 2HE LYS 15 12.671 -10.470 -1.920 109 2HE LYS 15 1HE LYS 15 11.462 -9.850 -0.797 110 1HZ LYS 15 1HZ LYS 15 12.753 -12.509 -0.549 111 2HZ LYS 15 2HZ LYS 15 11.728 -11.760 0.580 112 3HZ LYS 15 3HZ LYS 15 13.273 -11.121 0.276 113 H VAL 16 H VAL 16 7.269 -10.494 -0.959 114 HA VAL 16 HA VAL 16 7.238 -13.278 -1.436 115 HB VAL 16 HB VAL 16 5.596 -13.462 0.466 116 1HG1 VAL 16 1HG1 VAL 16 8.150 -11.886 0.713 117 2HG1 VAL 16 2HG1 VAL 16 7.880 -13.606 1.002 118 3HG1 VAL 16 3HG1 VAL 16 7.230 -12.411 2.124 119 1HG2 VAL 16 1HG2 VAL 16 4.804 -11.569 1.601 120 2HG2 VAL 16 2HG2 VAL 16 4.618 -11.126 -0.092 121 3HG2 VAL 16 3HG2 VAL 16 5.971 -10.492 0.844 122 H ILE 17 H ILE 17 4.911 -10.905 -2.523 123 HA ILE 17 HA ILE 17 2.740 -12.812 -2.842 124 HB ILE 17 HB ILE 17 3.111 -10.313 -4.514 125 1HG1 ILE 17 2HG1 ILE 17 2.071 -10.599 -1.689 126 2HG1 ILE 17 1HG1 ILE 17 3.506 -9.728 -2.195 127 1HG2 ILE 17 1HG2 ILE 17 0.703 -10.344 -4.594 128 2HG2 ILE 17 2HG2 ILE 17 0.621 -11.609 -3.368 129 3HG2 ILE 17 3HG2 ILE 17 1.245 -11.978 -4.975 130 1HD1 ILE 17 1HD1 ILE 17 1.855 -8.041 -1.975 131 2HD1 ILE 17 2HD1 ILE 17 0.620 -9.046 -2.731 132 3HD1 ILE 17 3HD1 ILE 17 1.918 -8.361 -3.708 133 H GLU 18 H GLU 18 4.491 -11.166 -5.500 134 HA GLU 18 HA GLU 18 3.893 -13.004 -7.520 135 1HB GLU 18 2HB GLU 18 6.698 -11.941 -7.484 136 2HB GLU 18 1HB GLU 18 5.503 -11.912 -8.783 137 1HG GLU 18 2HG GLU 18 4.210 -10.261 -7.251 138 2HG GLU 18 1HG GLU 18 5.732 -10.092 -6.394 139 H LYS 19 H LYS 19 6.115 -13.298 -4.869 140 HA LYS 19 HA LYS 19 7.119 -15.906 -5.937 141 1HB LYS 19 2HB LYS 19 8.247 -13.828 -4.149 142 2HB LYS 19 1HB LYS 19 8.524 -15.473 -3.587 143 1HG LYS 19 2HG LYS 19 10.378 -14.858 -4.987 144 2HG LYS 19 1HG LYS 19 9.406 -16.022 -5.873 145 1HD LYS 19 2HD LYS 19 9.215 -14.534 -7.588 146 2HD LYS 19 1HD LYS 19 8.324 -13.451 -6.521 147 1HE LYS 19 2HE LYS 19 10.184 -12.197 -7.339 148 2HE LYS 19 1HE LYS 19 10.585 -12.632 -5.676 149 1HZ LYS 19 1HZ LYS 19 12.334 -13.777 -6.381 150 2HZ LYS 19 2HZ LYS 19 12.054 -13.186 -7.949 151 3HZ LYS 19 3HZ LYS 19 11.390 -14.674 -7.468 152 H ALA 20 H ALA 20 4.601 -14.817 -4.081 153 HA ALA 20 HA ALA 20 4.657 -16.506 -1.790 154 1HB ALA 20 1HB ALA 20 2.435 -15.276 -3.408 155 2HB ALA 20 2HB ALA 20 2.829 -15.037 -1.711 156 3HB ALA 20 3HB ALA 20 2.021 -16.512 -2.233 157 H ASP 21 H ASP 21 3.367 -17.022 -5.038 158 HA ASP 21 HA ASP 21 3.082 -18.976 -6.274 159 1HB ASP 21 2HB ASP 21 5.399 -19.404 -4.738 160 2HB ASP 21 1HB ASP 21 4.438 -20.846 -4.443 161 H ASN 22 H ASN 22 2.023 -18.653 -3.040 162 HA ASN 22 HA ASN 22 -0.136 -20.601 -3.605 163 1HB ASN 22 2HB ASN 22 1.012 -20.684 -0.828 164 2HB ASN 22 1HB ASN 22 0.108 -21.919 -1.708 165 1HD2 ASN 22 1HD2 ASN 22 3.092 -20.051 -2.284 166 2HD2 ASN 22 2HD2 ASN 22 4.025 -21.388 -2.722 167 H ALA 23 H ALA 23 -2.073 -20.048 -2.654 168 HA ALA 23 HA ALA 23 -2.571 -17.335 -2.049 169 1HB ALA 23 1HB ALA 23 -4.788 -17.979 -1.680 170 2HB ALA 23 2HB ALA 23 -4.325 -19.533 -0.983 171 3HB ALA 23 3HB ALA 23 -4.180 -19.268 -2.720 172 H ALA 24 H ALA 24 -1.512 -19.905 0.070 173 HA ALA 24 HA ALA 24 -2.393 -18.773 2.543 174 1HB ALA 24 1HB ALA 24 -1.595 -21.031 2.547 175 2HB ALA 24 2HB ALA 24 -0.451 -20.100 3.512 176 3HB ALA 24 3HB ALA 24 -0.044 -20.553 1.857 177 H GLN 25 H GLN 25 0.776 -18.482 0.906 178 HA GLN 25 HA GLN 25 1.830 -16.596 2.779 179 1HB GLN 25 2HB GLN 25 2.733 -16.790 -0.082 180 2HB GLN 25 1HB GLN 25 3.685 -16.471 1.358 181 1HG GLN 25 2HG GLN 25 2.935 -18.864 2.100 182 2HG GLN 25 1HG GLN 25 2.536 -19.085 0.391 183 1HE2 GLN 25 1HE2 GLN 25 4.349 -18.707 -1.177 184 2HE2 GLN 25 2HE2 GLN 25 5.944 -19.027 -0.691 185 H VAL 26 H VAL 26 -0.385 -16.243 0.167 186 HA VAL 26 HA VAL 26 0.234 -13.467 -0.441 187 HB VAL 26 HB VAL 26 -2.395 -14.927 -0.865 188 1HG1 VAL 26 1HG1 VAL 26 -2.330 -12.335 -0.971 189 2HG1 VAL 26 2HG1 VAL 26 -2.974 -13.174 -2.374 190 3HG1 VAL 26 3HG1 VAL 26 -1.330 -12.542 -2.403 191 1HG2 VAL 26 1HG2 VAL 26 -1.607 -15.479 -3.056 192 2HG2 VAL 26 2HG2 VAL 26 -0.281 -15.892 -1.978 193 3HG2 VAL 26 3HG2 VAL 26 -0.219 -14.406 -2.909 194 H LYS 27 H LYS 27 -2.341 -15.015 1.582 195 HA LYS 27 HA LYS 27 -3.483 -12.605 2.531 196 1HB LYS 27 2HB LYS 27 -2.927 -15.118 4.133 197 2HB LYS 27 1HB LYS 27 -4.028 -13.844 4.613 198 1HG LYS 27 2HG LYS 27 -5.710 -14.849 3.463 199 2HG LYS 27 1HG LYS 27 -4.812 -14.673 1.970 200 1HD LYS 27 2HD LYS 27 -5.233 -17.026 2.232 201 2HD LYS 27 1HD LYS 27 -3.536 -16.765 2.594 202 1HE LYS 27 2HE LYS 27 -3.823 -17.087 4.885 203 2HE LYS 27 1HE LYS 27 -5.543 -16.705 4.830 204 1HZ LYS 27 1HZ LYS 27 -4.161 -19.188 4.119 205 2HZ LYS 27 2HZ LYS 27 -5.595 -18.795 3.297 206 3HZ LYS 27 3HZ LYS 27 -5.599 -18.964 4.988 207 H ASP 28 H ASP 28 -0.928 -14.597 3.878 208 HA ASP 28 HA ASP 28 -0.111 -13.019 6.028 209 1HB ASP 28 2HB ASP 28 1.675 -14.599 4.146 210 2HB ASP 28 1HB ASP 28 2.043 -14.178 5.818 211 H ALA 29 H ALA 29 0.764 -12.786 2.607 212 HA ALA 29 HA ALA 29 2.749 -10.746 2.967 213 1HB ALA 29 1HB ALA 29 1.087 -11.412 0.525 214 2HB ALA 29 2HB ALA 29 2.649 -12.122 0.931 215 3HB ALA 29 3HB ALA 29 2.532 -10.405 0.545 216 H LEU 30 H LEU 30 -0.426 -10.398 1.357 217 HA LEU 30 HA LEU 30 -0.461 -7.572 1.515 218 1HB LEU 30 2HB LEU 30 -2.647 -9.631 1.222 219 2HB LEU 30 1HB LEU 30 -3.018 -7.913 1.288 220 HG LEU 30 HG LEU 30 -0.988 -9.039 -0.643 221 1HD1 LEU 30 1HD1 LEU 30 -3.953 -8.576 -1.101 222 2HD1 LEU 30 2HD1 LEU 30 -3.151 -10.145 -1.041 223 3HD1 LEU 30 3HD1 LEU 30 -2.782 -9.016 -2.345 224 1HD2 LEU 30 1HD2 LEU 30 -0.708 -6.873 -1.240 225 2HD2 LEU 30 2HD2 LEU 30 -1.799 -6.369 0.047 226 3HD2 LEU 30 3HD2 LEU 30 -2.430 -6.693 -1.565 227 H THR 31 H THR 31 -1.256 -9.978 3.924 228 HA THR 31 HA THR 31 -2.870 -8.372 5.662 229 HB THR 31 HB THR 31 -0.887 -10.596 6.241 230 HG1 THR 31 1HG THR 31 -2.695 -11.269 5.105 231 1HG2 THR 31 1HG2 THR 31 -1.062 -9.445 8.302 232 2HG2 THR 31 2HG2 THR 31 -2.256 -10.737 8.426 233 3HG2 THR 31 3HG2 THR 31 -2.774 -9.092 8.059 234 H LYS 32 H LYS 32 0.598 -8.765 5.259 235 HA LYS 32 HA LYS 32 1.320 -7.019 7.455 236 1HB LYS 32 2HB LYS 32 2.697 -8.411 5.191 237 2HB LYS 32 1HB LYS 32 3.574 -7.114 6.016 238 1HG LYS 32 2HG LYS 32 3.278 -8.257 8.165 239 2HG LYS 32 1HG LYS 32 2.302 -9.505 7.390 240 1HD LYS 32 2HD LYS 32 4.442 -9.810 5.856 241 2HD LYS 32 1HD LYS 32 5.270 -9.027 7.202 242 1HE LYS 32 2HE LYS 32 3.602 -11.557 7.335 243 2HE LYS 32 1HE LYS 32 5.352 -11.444 7.511 244 1HZ LYS 32 1HZ LYS 32 5.107 -10.973 9.645 245 2HZ LYS 32 2HZ LYS 32 3.431 -11.211 9.496 246 3HZ LYS 32 3HZ LYS 32 4.094 -9.659 9.294 247 H MET 33 H MET 33 0.662 -6.610 4.014 248 HA MET 33 HA MET 33 1.734 -3.933 3.765 249 1HB MET 33 2HB MET 33 -0.489 -5.381 2.308 250 2HB MET 33 1HB MET 33 0.052 -3.766 1.860 251 1HG MET 33 2HG MET 33 2.411 -4.800 1.724 252 2HG MET 33 1HG MET 33 1.579 -6.355 1.703 253 1HE MET 33 1HE MET 33 1.559 -2.977 -1.355 254 2HE MET 33 2HE MET 33 2.988 -3.568 -0.511 255 3HE MET 33 3HE MET 33 1.668 -2.845 0.406 256 H ARG 34 H ARG 34 -1.632 -5.009 3.863 257 HA ARG 34 HA ARG 34 -2.859 -2.571 4.400 258 1HB ARG 34 2HB ARG 34 -3.872 -4.978 4.067 259 2HB ARG 34 1HB ARG 34 -3.795 -5.072 5.824 260 1HG ARG 34 2HG ARG 34 -5.288 -3.239 6.096 261 2HG ARG 34 1HG ARG 34 -5.107 -2.742 4.418 262 1HD ARG 34 2HD ARG 34 -6.170 -4.930 3.737 263 2HD ARG 34 1HD ARG 34 -6.525 -5.208 5.429 264 HE ARG 34 HE ARG 34 -7.573 -2.877 3.883 265 1HH1 ARG 34 1HH2 ARG 34 -7.884 -5.267 6.400 266 2HH1 ARG 34 2HH2 ARG 34 -9.486 -4.780 6.819 267 1HH2 ARG 34 1HH1 ARG 34 -9.672 -2.268 4.458 268 2HH2 ARG 34 2HH1 ARG 34 -10.486 -3.102 5.738 269 H ALA 35 H ALA 35 -0.929 -4.542 6.484 270 HA ALA 35 HA ALA 35 -1.756 -3.263 8.966 271 1HB ALA 35 1HB ALA 35 0.862 -4.694 8.444 272 2HB ALA 35 2HB ALA 35 -0.641 -5.542 8.798 273 3HB ALA 35 3HB ALA 35 0.061 -4.454 9.996 274 H ALA 36 H ALA 36 1.323 -3.073 7.098 275 HA ALA 36 HA ALA 36 2.244 -0.747 8.507 276 1HB ALA 36 1HB ALA 36 3.808 -2.114 7.248 277 2HB ALA 36 2HB ALA 36 3.804 -0.494 6.554 278 3HB ALA 36 3HB ALA 36 2.936 -1.801 5.748 279 H ALA 37 H ALA 37 0.202 -1.133 5.647 280 HA ALA 37 HA ALA 37 0.301 1.528 4.679 281 1HB ALA 37 1HB ALA 37 -1.945 1.086 3.743 282 2HB ALA 37 2HB ALA 37 -2.091 -0.342 4.768 283 3HB ALA 37 3HB ALA 37 -0.875 -0.293 3.490 284 H LEU 38 H LEU 38 -1.614 0.089 7.296 285 HA LEU 38 HA LEU 38 -3.154 2.448 7.863 286 1HB LEU 38 2HB LEU 38 -2.444 -0.043 9.404 287 2HB LEU 38 1HB LEU 38 -3.256 1.283 10.232 288 HG LEU 38 HG LEU 38 -4.375 0.293 7.612 289 1HD1 LEU 38 1HD1 LEU 38 -5.832 -1.264 8.999 290 2HD1 LEU 38 2HD1 LEU 38 -4.681 -1.036 10.316 291 3HD1 LEU 38 3HD1 LEU 38 -4.156 -1.779 8.805 292 1HD2 LEU 38 1HD2 LEU 38 -5.596 1.429 10.153 293 2HD2 LEU 38 2HD2 LEU 38 -6.501 0.983 8.707 294 3HD2 LEU 38 3HD2 LEU 38 -5.342 2.309 8.646 295 H ASP 39 H ASP 39 0.059 1.346 8.827 296 HA ASP 39 HA ASP 39 0.345 3.541 10.780 297 1HB ASP 39 2HB ASP 39 1.414 1.313 11.143 298 2HB ASP 39 1HB ASP 39 2.421 1.598 9.724 299 H ALA 40 H ALA 40 1.458 2.755 7.508 300 HA ALA 40 HA ALA 40 3.354 4.858 7.247 301 1HB ALA 40 1HB ALA 40 2.709 2.852 5.621 302 2HB ALA 40 2HB ALA 40 3.417 4.330 4.975 303 3HB ALA 40 3HB ALA 40 1.675 4.068 4.876 304 H GLN 41 H GLN 41 -0.113 4.978 7.281 305 HA GLN 41 HA GLN 41 -0.693 7.258 5.784 306 1HB GLN 41 2HB GLN 41 -2.322 5.863 7.119 307 2HB GLN 41 1HB GLN 41 -1.776 6.707 8.558 308 1HG GLN 41 2HG GLN 41 -2.887 8.098 6.115 309 2HG GLN 41 1HG GLN 41 -3.863 7.691 7.520 310 1HE2 GLN 41 1HE2 GLN 41 -2.463 8.470 9.681 311 2HE2 GLN 41 2HE2 GLN 41 -1.933 10.071 9.602 312 H LYS 42 H LYS 42 -0.089 7.387 9.291 313 HA LYS 42 HA LYS 42 0.318 10.164 9.492 314 1HB LYS 42 2HB LYS 42 1.379 7.831 11.094 315 2HB LYS 42 1HB LYS 42 1.842 9.482 11.496 316 1HG LYS 42 2HG LYS 42 -0.005 9.175 12.883 317 2HG LYS 42 1HG LYS 42 -0.742 9.953 11.494 318 1HD LYS 42 2HD LYS 42 -1.263 7.645 10.602 319 2HD LYS 42 1HD LYS 42 -0.709 7.001 12.131 320 1HE LYS 42 2HE LYS 42 -3.122 7.241 12.234 321 2HE LYS 42 1HE LYS 42 -2.390 8.439 13.301 322 1HZ LYS 42 1HZ LYS 42 -2.518 9.971 11.284 323 2HZ LYS 42 2HZ LYS 42 -3.966 9.625 12.101 324 3HZ LYS 42 3HZ LYS 42 -3.605 8.840 10.638 325 H ALA 43 H ALA 43 2.127 8.279 7.498 326 HA ALA 43 HA ALA 43 4.779 9.296 8.178 327 1HB ALA 43 1HB ALA 43 3.928 8.113 5.527 328 2HB ALA 43 2HB ALA 43 4.310 7.120 6.935 329 3HB ALA 43 3HB ALA 43 5.547 8.156 6.226 330 H THR 44 H THR 44 5.724 11.123 7.424 331 HA THR 44 HA THR 44 4.662 12.539 5.068 332 HB THR 44 HB THR 44 4.721 14.709 6.640 333 HG1 THR 44 1HG THR 44 5.306 13.410 8.467 334 1HG2 THR 44 1HG2 THR 44 2.371 12.793 6.666 335 2HG2 THR 44 2HG2 THR 44 2.764 13.886 5.337 336 3HG2 THR 44 3HG2 THR 44 2.305 14.538 6.910 337 HA PRO 45 HA PRO 45 9.284 12.284 5.776 338 1HB PRO 45 2HB PRO 45 9.093 12.444 2.795 339 2HB PRO 45 1HB PRO 45 10.108 11.406 3.812 340 1HG PRO 45 2HG PRO 45 7.902 10.478 2.576 341 2HG PRO 45 1HG PRO 45 8.453 9.859 4.137 342 1HD PRO 45 2HD PRO 45 6.112 11.588 3.539 343 2HD PRO 45 1HD PRO 45 6.375 10.492 4.906 344 HA PRO 46 HA PRO 46 9.570 16.573 3.875 345 1HB PRO 46 2HB PRO 46 7.662 17.561 2.227 346 2HB PRO 46 1HB PRO 46 8.844 16.361 1.675 347 1HG PRO 46 2HG PRO 46 5.965 16.038 2.182 348 2HG PRO 46 1HG PRO 46 7.059 15.023 1.228 349 1HD PRO 46 2HD PRO 46 6.169 14.640 3.990 350 2HD PRO 46 1HD PRO 46 7.094 13.533 2.968 351 H LYS 47 H LYS 47 6.260 17.509 3.464 352 HA LYS 47 HA LYS 47 5.558 18.026 6.189 353 1HB LYS 47 2HB LYS 47 5.801 20.685 5.737 354 2HB LYS 47 1HB LYS 47 7.057 19.753 6.525 355 1HG LYS 47 2HG LYS 47 8.420 19.694 4.621 356 2HG LYS 47 1HG LYS 47 7.065 19.974 3.527 357 1HD LYS 47 2HD LYS 47 6.916 22.276 4.178 358 2HD LYS 47 1HD LYS 47 8.026 22.039 5.521 359 1HE LYS 47 2HE LYS 47 9.842 21.530 3.934 360 2HE LYS 47 1HE LYS 47 8.730 21.762 2.585 361 1HZ LYS 47 1HZ LYS 47 9.332 23.888 2.659 362 2HZ LYS 47 2HZ LYS 47 10.105 23.712 4.161 363 3HZ LYS 47 3HZ LYS 47 8.435 24.015 4.093 364 H LEU 48 H LEU 48 3.377 17.943 5.989 365 HA LEU 48 HA LEU 48 2.085 18.862 3.503 366 1HB LEU 48 2HB LEU 48 1.473 16.920 5.463 367 2HB LEU 48 1HB LEU 48 0.262 18.171 5.719 368 HG LEU 48 HG LEU 48 0.869 16.938 3.011 369 1HD1 LEU 48 1HD1 LEU 48 -0.043 15.282 4.635 370 2HD1 LEU 48 2HD1 LEU 48 -1.168 15.629 3.322 371 3HD1 LEU 48 3HD1 LEU 48 -1.419 16.350 4.912 372 1HD2 LEU 48 1HD2 LEU 48 -1.333 18.743 4.062 373 2HD2 LEU 48 2HD2 LEU 48 -1.389 17.943 2.491 374 3HD2 LEU 48 3HD2 LEU 48 -0.138 19.139 2.827 375 H GLU 49 H GLU 49 -0.209 20.128 4.334 376 HA GLU 49 HA GLU 49 -0.897 22.311 4.898 377 1HB GLU 49 2HB GLU 49 0.831 21.817 7.342 378 2HB GLU 49 1HB GLU 49 -0.545 22.913 7.220 379 1HG GLU 49 2HG GLU 49 -1.975 20.894 6.671 380 2HG GLU 49 1HG GLU 49 -0.588 19.888 7.096 381 H ASP 50 H ASP 50 1.738 21.847 3.511 382 HA ASP 50 HA ASP 50 2.803 24.602 3.877 383 1HB ASP 50 2HB ASP 50 4.428 22.036 3.982 384 2HB ASP 50 1HB ASP 50 5.138 23.605 3.582 385 H LYS 51 H LYS 51 3.728 21.733 1.952 386 HA LYS 51 HA LYS 51 4.001 23.326 -0.435 387 1HB LYS 51 2HB LYS 51 4.140 21.095 -1.572 388 2HB LYS 51 1HB LYS 51 5.255 21.272 -0.229 389 1HG LYS 51 2HG LYS 51 3.950 19.934 1.209 390 2HG LYS 51 1HG LYS 51 2.529 20.049 0.176 391 1HD LYS 51 2HD LYS 51 3.424 18.569 -1.433 392 2HD LYS 51 1HD LYS 51 5.072 18.774 -0.836 393 1HE LYS 51 2HE LYS 51 4.194 16.596 -0.134 394 2HE LYS 51 1HE LYS 51 4.431 17.633 1.272 395 1HZ LYS 51 1HZ LYS 51 1.909 18.219 0.491 396 2HZ LYS 51 2HZ LYS 51 2.324 17.145 1.741 397 3HZ LYS 51 3HZ LYS 51 2.001 16.554 0.181 398 H SER 52 H SER 52 2.165 20.771 -1.535 399 HA SER 52 HA SER 52 -0.095 22.532 -2.055 400 1HB SER 52 2HB SER 52 0.868 20.860 -3.688 401 2HB SER 52 1HB SER 52 0.140 19.595 -2.702 402 HG SER 52 HG SER 52 -1.341 20.134 -4.257 403 HA PRO 53 HA PRO 53 -2.091 20.667 1.623 404 1HB PRO 53 2HB PRO 53 -3.739 22.637 2.273 405 2HB PRO 53 1HB PRO 53 -1.984 22.920 2.363 406 1HG PRO 53 2HG PRO 53 -3.899 23.675 0.183 407 2HG PRO 53 1HG PRO 53 -2.664 24.674 0.979 408 1HD PRO 53 2HD PRO 53 -2.258 23.359 -1.434 409 2HD PRO 53 1HD PRO 53 -0.954 23.810 -0.318 410 H ASP 54 H ASP 54 -3.531 21.667 -1.359 411 HA ASP 54 HA ASP 54 -5.450 20.956 -2.478 412 1HB ASP 54 2HB ASP 54 -5.942 18.901 -0.325 413 2HB ASP 54 1HB ASP 54 -6.269 18.795 -2.054 414 H SER 55 H SER 55 -7.603 19.703 -0.455 415 HA SER 55 HA SER 55 -8.326 21.934 1.196 416 1HB SER 55 2HB SER 55 -8.810 22.786 -1.170 417 2HB SER 55 1HB SER 55 -10.120 21.612 -1.213 418 HG SER 55 HG SER 55 -9.952 24.003 0.073 419 HA PRO 56 HA PRO 56 -11.891 18.457 0.825 420 1HB PRO 56 2HB PRO 56 -9.835 16.305 0.451 421 2HB PRO 56 1HB PRO 56 -11.536 16.330 -0.069 422 1HG PRO 56 2HG PRO 56 -9.696 16.817 -1.849 423 2HG PRO 56 1HG PRO 56 -11.092 17.910 -1.766 424 1HD PRO 56 2HD PRO 56 -8.319 18.316 -0.674 425 2HD PRO 56 1HD PRO 56 -9.333 19.463 -1.585 426 H GLU 57 H GLU 57 -10.930 19.632 3.043 427 HA GLU 57 HA GLU 57 -10.301 19.328 5.306 428 1HB GLU 57 2HB GLU 57 -11.946 16.818 4.833 429 2HB GLU 57 1HB GLU 57 -11.603 17.543 6.403 430 1HG GLU 57 2HG GLU 57 -12.755 19.622 5.664 431 2HG GLU 57 1HG GLU 57 -13.157 18.830 4.140 432 H MET 58 H MET 58 -8.496 18.206 3.257 433 HA MET 58 HA MET 58 -6.551 16.945 3.176 434 1HB MET 58 2HB MET 58 -7.012 16.188 6.064 435 2HB MET 58 1HB MET 58 -5.505 16.318 5.179 436 1HG MET 58 2HG MET 58 -5.362 18.347 6.218 437 2HG MET 58 1HG MET 58 -6.410 18.881 4.900 438 1HE MET 58 1HE MET 58 -6.516 20.768 7.007 439 2HE MET 58 2HE MET 58 -5.823 19.662 8.190 440 3HE MET 58 3HE MET 58 -7.366 20.444 8.524 441 H LYS 59 H LYS 59 -9.581 15.791 3.895 442 HA LYS 59 HA LYS 59 -9.427 13.063 4.365 443 1HB LYS 59 2HB LYS 59 -11.458 14.640 3.921 444 2HB LYS 59 1HB LYS 59 -11.217 14.244 2.215 445 1HG LYS 59 2HG LYS 59 -11.374 11.959 4.183 446 2HG LYS 59 1HG LYS 59 -12.864 12.808 3.802 447 1HD LYS 59 2HD LYS 59 -12.894 12.091 1.601 448 2HD LYS 59 1HD LYS 59 -11.140 12.006 1.485 449 1HE LYS 59 2HE LYS 59 -12.912 10.063 2.998 450 2HE LYS 59 1HE LYS 59 -12.112 9.747 1.460 451 1HZ LYS 59 1HZ LYS 59 -9.990 10.360 2.717 452 2HZ LYS 59 2HZ LYS 59 -10.686 8.841 3.025 453 3HZ LYS 59 3HZ LYS 59 -10.902 10.117 4.126 454 H ASP 60 H ASP 60 -9.057 14.792 1.307 455 HA ASP 60 HA ASP 60 -8.808 12.572 -0.404 456 1HB ASP 60 2HB ASP 60 -9.044 14.643 -1.442 457 2HB ASP 60 1HB ASP 60 -7.810 15.413 -0.450 458 H PHE 61 H PHE 61 -6.530 13.909 1.911 459 HA PHE 61 HA PHE 61 -4.229 12.476 0.834 460 1HB PHE 61 2HB PHE 61 -4.399 14.553 2.521 461 2HB PHE 61 1HB PHE 61 -4.429 13.278 3.735 462 HD1 PHE 61 1HD PHE 61 -2.351 12.680 4.620 463 HD2 PHE 61 2HD PHE 61 -2.558 14.080 0.566 464 HE1 PHE 61 1HE PHE 61 0.121 12.474 4.422 465 HE2 PHE 61 2HE PHE 61 -0.097 13.866 0.364 466 HZ PHE 61 HZ PHE 61 1.240 13.066 2.291 467 H ARG 62 H ARG 62 -6.377 12.078 3.626 468 HA ARG 62 HA ARG 62 -5.478 9.496 4.432 469 1HB ARG 62 2HB ARG 62 -8.196 10.808 4.744 470 2HB ARG 62 1HB ARG 62 -7.649 9.406 5.650 471 1HG ARG 62 2HG ARG 62 -6.627 10.755 7.174 472 2HG ARG 62 1HG ARG 62 -5.613 11.439 5.907 473 1HD ARG 62 2HD ARG 62 -7.346 13.083 5.376 474 2HD ARG 62 1HD ARG 62 -8.416 12.363 6.569 475 HE ARG 62 HE ARG 62 -7.224 13.518 8.243 476 1HH1 ARG 62 1HH2 ARG 62 -5.437 13.270 5.308 477 2HH1 ARG 62 2HH2 ARG 62 -4.169 14.327 5.835 478 1HH2 ARG 62 1HH1 ARG 62 -5.585 14.905 8.948 479 2HH2 ARG 62 2HH1 ARG 62 -4.254 15.255 7.896 480 H HIS 63 H HIS 63 -7.830 10.550 2.014 481 HA HIS 63 HA HIS 63 -9.046 7.988 1.546 482 1HB HIS 63 2HB HIS 63 -9.585 10.477 0.644 483 2HB HIS 63 1HB HIS 63 -8.684 9.895 -0.749 484 HD1 HIS 63 1HD HIS 63 -10.616 7.335 1.121 485 HD2 HIS 63 2HD HIS 63 -11.238 9.819 -2.166 486 HE1 HIS 63 1HE HIS 63 -12.663 6.462 -0.044 487 H GLY 64 H GLY 64 -6.076 9.487 0.301 488 1HA GLY 64 2HA GLY 64 -5.626 7.441 -1.676 489 2HA GLY 64 1HA GLY 64 -4.375 8.487 -0.999 490 H PHE 65 H PHE 65 -4.997 7.704 1.780 491 HA PHE 65 HA PHE 65 -3.434 5.215 1.837 492 1HB PHE 65 2HB PHE 65 -4.566 6.988 4.014 493 2HB PHE 65 1HB PHE 65 -3.712 5.482 4.351 494 HD1 PHE 65 1HD PHE 65 -3.359 8.963 3.628 495 HD2 PHE 65 2HD PHE 65 -1.347 5.190 3.326 496 HE1 PHE 65 1HE PHE 65 -1.197 10.143 3.377 497 HE2 PHE 65 2HE PHE 65 0.822 6.368 3.062 498 HZ PHE 65 HZ PHE 65 0.890 8.853 3.071 499 H ASP 66 H ASP 66 -6.723 6.325 2.527 500 HA ASP 66 HA ASP 66 -7.653 3.750 3.484 501 1HB ASP 66 2HB ASP 66 -8.727 6.123 3.808 502 2HB ASP 66 1HB ASP 66 -9.463 5.819 2.235 503 H ILE 67 H ILE 67 -7.888 5.522 0.397 504 HA ILE 67 HA ILE 67 -9.294 3.560 -1.078 505 HB ILE 67 HB ILE 67 -7.152 5.527 -1.962 506 1HG1 ILE 67 2HG1 ILE 67 -9.520 6.249 -1.026 507 2HG1 ILE 67 1HG1 ILE 67 -8.893 7.005 -2.486 508 1HG2 ILE 67 1HG2 ILE 67 -8.251 5.100 -4.270 509 2HG2 ILE 67 2HG2 ILE 67 -8.840 3.599 -3.554 510 3HG2 ILE 67 3HG2 ILE 67 -7.106 3.903 -3.664 511 1HD1 ILE 67 1HD1 ILE 67 -10.290 5.694 -3.900 512 2HD1 ILE 67 2HD1 ILE 67 -11.331 6.205 -2.575 513 3HD1 ILE 67 3HD1 ILE 67 -10.684 4.569 -2.605 514 H LEU 68 H LEU 68 -5.792 4.031 -0.640 515 HA LEU 68 HA LEU 68 -4.923 1.783 -2.129 516 1HB LEU 68 2HB LEU 68 -3.305 3.412 -1.408 517 2HB LEU 68 1HB LEU 68 -3.757 3.207 0.281 518 HG LEU 68 HG LEU 68 -2.806 0.993 0.339 519 1HD1 LEU 68 1HD1 LEU 68 -1.538 0.244 -1.831 520 2HD1 LEU 68 2HD1 LEU 68 -2.632 1.356 -2.652 521 3HD1 LEU 68 3HD1 LEU 68 -3.278 -0.008 -1.743 522 1HD2 LEU 68 1HD2 LEU 68 -0.429 1.523 -0.271 523 2HD2 LEU 68 2HD2 LEU 68 -1.214 2.797 0.664 524 3HD2 LEU 68 3HD2 LEU 68 -1.010 2.980 -1.079 525 H VAL 69 H VAL 69 -5.825 2.096 1.308 526 HA VAL 69 HA VAL 69 -5.386 -0.658 1.989 527 HB VAL 69 HB VAL 69 -7.099 1.544 3.146 528 1HG1 VAL 69 1HG1 VAL 69 -6.821 -1.303 4.026 529 2HG1 VAL 69 2HG1 VAL 69 -8.290 -0.369 3.796 530 3HG1 VAL 69 3HG1 VAL 69 -7.234 -0.030 5.167 531 1HG2 VAL 69 1HG2 VAL 69 -4.723 0.162 4.392 532 2HG2 VAL 69 2HG2 VAL 69 -5.404 1.738 4.793 533 3HG2 VAL 69 3HG2 VAL 69 -4.516 1.519 3.285 534 H GLY 70 H GLY 70 -7.831 1.019 0.219 535 1HA GLY 70 2HA GLY 70 -9.947 -0.923 0.662 536 2HA GLY 70 1HA GLY 70 -9.954 0.356 -0.539 537 H GLN 71 H GLN 71 -7.746 -0.238 -2.100 538 HA GLN 71 HA GLN 71 -8.758 -2.529 -3.560 539 1HB GLN 71 2HB GLN 71 -7.440 -1.789 -5.296 540 2HB GLN 71 1HB GLN 71 -7.438 -0.316 -4.340 541 1HG GLN 71 2HG GLN 71 -5.168 -0.553 -4.730 542 2HG GLN 71 1HG GLN 71 -5.292 -1.426 -3.215 543 1HE2 GLN 71 1HE2 GLN 71 -6.700 -3.742 -4.513 544 2HE2 GLN 71 2HE2 GLN 71 -5.504 -4.561 -5.388 545 H ILE 72 H ILE 72 -6.274 -1.963 -1.204 546 HA ILE 72 HA ILE 72 -5.060 -4.602 -1.539 547 HB ILE 72 HB ILE 72 -4.805 -2.353 0.456 548 1HG1 ILE 72 2HG1 ILE 72 -2.697 -4.013 -0.939 549 2HG1 ILE 72 1HG1 ILE 72 -3.430 -2.594 -1.685 550 1HG2 ILE 72 1HG2 ILE 72 -4.057 -5.240 0.919 551 2HG2 ILE 72 2HG2 ILE 72 -4.857 -4.120 2.017 552 3HG2 ILE 72 3HG2 ILE 72 -3.139 -3.939 1.679 553 1HD1 ILE 72 1HD1 ILE 72 -2.733 -1.305 0.401 554 2HD1 ILE 72 2HD1 ILE 72 -1.413 -1.835 -0.639 555 3HD1 ILE 72 3HD1 ILE 72 -1.776 -2.715 0.846 556 H ASP 73 H ASP 73 -7.655 -3.114 0.353 557 HA ASP 73 HA ASP 73 -8.051 -5.288 2.193 558 1HB ASP 73 2HB ASP 73 -9.150 -3.222 2.691 559 2HB ASP 73 1HB ASP 73 -9.951 -3.192 1.120 560 H ASP 74 H ASP 74 -9.890 -4.515 -0.789 561 HA ASP 74 HA ASP 74 -11.316 -6.986 -0.851 562 1HB ASP 74 2HB ASP 74 -10.591 -4.933 -2.948 563 2HB ASP 74 1HB ASP 74 -11.416 -6.422 -3.408 564 H ALA 75 H ALA 75 -8.055 -6.136 -1.813 565 HA ALA 75 HA ALA 75 -7.669 -8.534 -3.398 566 1HB ALA 75 1HB ALA 75 -5.550 -6.837 -2.035 567 2HB ALA 75 2HB ALA 75 -6.232 -6.463 -3.618 568 3HB ALA 75 3HB ALA 75 -5.304 -7.945 -3.382 569 H LEU 76 H LEU 76 -7.380 -7.625 -0.018 570 HA LEU 76 HA LEU 76 -5.886 -9.827 0.926 571 1HB LEU 76 2HB LEU 76 -7.256 -7.636 2.032 572 2HB LEU 76 1HB LEU 76 -8.170 -9.001 2.634 573 HG LEU 76 HG LEU 76 -5.643 -9.897 3.146 574 1HD1 LEU 76 1HD1 LEU 76 -4.989 -7.405 2.304 575 2HD1 LEU 76 2HD1 LEU 76 -4.070 -8.269 3.530 576 3HD1 LEU 76 3HD1 LEU 76 -5.262 -7.065 4.010 577 1HD2 LEU 76 1HD2 LEU 76 -6.002 -9.215 5.469 578 2HD2 LEU 76 2HD2 LEU 76 -7.532 -9.729 4.759 579 3HD2 LEU 76 3HD2 LEU 76 -7.183 -8.011 4.955 580 H LYS 77 H LYS 77 -9.207 -9.391 -0.053 581 HA LYS 77 HA LYS 77 -10.265 -11.888 0.838 582 1HB LYS 77 2HB LYS 77 -11.503 -9.752 0.081 583 2HB LYS 77 1HB LYS 77 -11.189 -10.303 -1.569 584 1HG LYS 77 2HG LYS 77 -13.280 -11.260 -1.137 585 2HG LYS 77 1HG LYS 77 -12.169 -12.566 -0.728 586 1HD LYS 77 2HD LYS 77 -12.320 -11.253 1.694 587 2HD LYS 77 1HD LYS 77 -13.932 -10.948 1.055 588 1HE LYS 77 2HE LYS 77 -14.021 -13.482 0.566 589 2HE LYS 77 1HE LYS 77 -12.607 -13.608 1.618 590 1HZ LYS 77 1HZ LYS 77 -15.358 -12.811 2.283 591 2HZ LYS 77 2HZ LYS 77 -14.074 -12.190 3.206 592 3HZ LYS 77 3HZ LYS 77 -14.317 -13.870 3.101 593 H LEU 78 H LEU 78 -9.029 -10.754 -2.311 594 HA LEU 78 HA LEU 78 -9.410 -13.180 -3.720 595 1HB LEU 78 2HB LEU 78 -7.677 -10.763 -4.015 596 2HB LEU 78 1HB LEU 78 -7.194 -12.179 -4.951 597 HG LEU 78 HG LEU 78 -9.380 -12.292 -6.009 598 1HD1 LEU 78 1HD1 LEU 78 -10.077 -10.211 -3.941 599 2HD1 LEU 78 2HD1 LEU 78 -10.979 -11.644 -4.427 600 3HD1 LEU 78 3HD1 LEU 78 -10.950 -10.229 -5.472 601 1HD2 LEU 78 1HD2 LEU 78 -9.128 -10.440 -7.428 602 2HD2 LEU 78 2HD2 LEU 78 -7.537 -10.505 -6.670 603 3HD2 LEU 78 3HD2 LEU 78 -8.732 -9.344 -6.103 604 H ALA 79 H ALA 79 -6.880 -12.098 -1.545 605 HA ALA 79 HA ALA 79 -5.052 -14.267 -1.987 606 1HB ALA 79 1HB ALA 79 -5.509 -12.825 0.642 607 2HB ALA 79 2HB ALA 79 -4.621 -12.095 -0.692 608 3HB ALA 79 3HB ALA 79 -4.018 -13.566 0.070 609 H ASN 80 H ASN 80 -7.606 -13.744 0.455 610 HA ASN 80 HA ASN 80 -7.334 -16.399 1.556 611 1HB ASN 80 2HB ASN 80 -8.369 -14.145 2.559 612 2HB ASN 80 1HB ASN 80 -9.869 -14.845 1.949 613 1HD2 ASN 80 1HD2 ASN 80 -6.931 -16.037 3.660 614 2HD2 ASN 80 2HD2 ASN 80 -7.773 -17.012 4.733 615 H GLU 81 H GLU 81 -8.872 -15.289 -1.295 616 HA GLU 81 HA GLU 81 -10.892 -17.475 -1.248 617 1HB GLU 81 2HB GLU 81 -10.369 -15.167 -3.114 618 2HB GLU 81 1HB GLU 81 -11.483 -16.463 -3.536 619 1HG GLU 81 2HG GLU 81 -12.809 -16.031 -1.547 620 2HG GLU 81 1HG GLU 81 -11.658 -14.812 -1.005 621 H GLY 82 H GLY 82 -7.699 -16.949 -2.333 622 1HA GLY 82 2HA GLY 82 -6.377 -18.776 -3.205 623 2HA GLY 82 1HA GLY 82 -7.829 -19.492 -3.887 624 H LYS 83 H LYS 83 -7.636 -16.111 -4.440 625 HA LYS 83 HA LYS 83 -6.961 -16.652 -7.292 626 1HB LYS 83 2HB LYS 83 -7.759 -13.953 -6.232 627 2HB LYS 83 1HB LYS 83 -7.986 -14.617 -7.838 628 1HG LYS 83 2HG LYS 83 -9.468 -15.372 -5.325 629 2HG LYS 83 1HG LYS 83 -10.123 -14.607 -6.765 630 1HD LYS 83 2HD LYS 83 -9.372 -16.681 -8.055 631 2HD LYS 83 1HD LYS 83 -9.115 -17.443 -6.487 632 1HE LYS 83 2HE LYS 83 -11.326 -18.053 -7.129 633 2HE LYS 83 1HE LYS 83 -11.522 -16.777 -5.928 634 1HZ LYS 83 1HZ LYS 83 -12.809 -15.861 -7.497 635 2HZ LYS 83 2HZ LYS 83 -12.115 -16.760 -8.760 636 3HZ LYS 83 3HZ LYS 83 -11.344 -15.359 -8.186 637 H VAL 84 H VAL 84 -4.756 -17.056 -6.708 638 HA VAL 84 HA VAL 84 -3.051 -14.994 -5.593 639 HB VAL 84 HB VAL 84 -2.246 -17.476 -7.144 640 1HG1 VAL 84 1HG1 VAL 84 -0.368 -16.028 -6.907 641 2HG1 VAL 84 2HG1 VAL 84 -0.211 -17.219 -5.617 642 3HG1 VAL 84 3HG1 VAL 84 -0.812 -15.603 -5.255 643 1HG2 VAL 84 1HG2 VAL 84 -3.562 -18.316 -5.383 644 2HG2 VAL 84 2HG2 VAL 84 -3.053 -17.047 -4.273 645 3HG2 VAL 84 3HG2 VAL 84 -1.934 -18.339 -4.707 646 H LYS 85 H LYS 85 -3.419 -16.361 -8.892 647 HA LYS 85 HA LYS 85 -1.591 -14.636 -10.171 648 1HB LYS 85 2HB LYS 85 -4.235 -15.736 -11.190 649 2HB LYS 85 1HB LYS 85 -3.059 -14.912 -12.207 650 1HG LYS 85 2HG LYS 85 -2.228 -17.025 -12.565 651 2HG LYS 85 1HG LYS 85 -1.440 -16.789 -11.008 652 1HD LYS 85 2HD LYS 85 -3.443 -17.831 -9.905 653 2HD LYS 85 1HD LYS 85 -4.091 -18.177 -11.509 654 1HE LYS 85 2HE LYS 85 -2.057 -19.489 -12.037 655 2HE LYS 85 1HE LYS 85 -1.442 -19.170 -10.415 656 1HZ LYS 85 1HZ LYS 85 -3.848 -20.721 -11.169 657 2HZ LYS 85 2HZ LYS 85 -3.554 -20.197 -9.580 658 3HZ LYS 85 3HZ LYS 85 -2.475 -21.267 -10.338 659 H GLU 86 H GLU 86 -4.956 -14.099 -9.201 660 HA GLU 86 HA GLU 86 -5.169 -11.475 -10.383 661 1HB GLU 86 2HB GLU 86 -6.696 -12.728 -8.066 662 2HB GLU 86 1HB GLU 86 -7.093 -11.188 -8.823 663 1HG GLU 86 2HG GLU 86 -8.451 -13.119 -9.701 664 2HG GLU 86 1HG GLU 86 -7.571 -12.227 -10.937 665 H ALA 87 H ALA 87 -4.325 -12.724 -7.155 666 HA ALA 87 HA ALA 87 -4.003 -10.119 -5.978 667 1HB ALA 87 1HB ALA 87 -4.208 -12.434 -4.819 668 2HB ALA 87 2HB ALA 87 -3.131 -11.239 -4.096 669 3HB ALA 87 3HB ALA 87 -2.467 -12.551 -5.072 670 H GLN 88 H GLN 88 -1.605 -12.432 -7.218 671 HA GLN 88 HA GLN 88 0.668 -10.774 -6.878 672 1HB GLN 88 2HB GLN 88 1.580 -12.765 -7.464 673 2HB GLN 88 1HB GLN 88 0.015 -13.362 -7.926 674 1HG GLN 88 2HG GLN 88 0.304 -12.655 -10.195 675 2HG GLN 88 1HG GLN 88 1.738 -11.733 -9.778 676 1HE2 GLN 88 1HE2 GLN 88 0.731 -15.109 -9.004 677 2HE2 GLN 88 2HE2 GLN 88 2.159 -15.811 -9.560 678 H ALA 89 H ALA 89 -1.391 -11.261 -9.769 679 HA ALA 89 HA ALA 89 -0.035 -9.462 -11.477 680 1HB ALA 89 1HB ALA 89 -2.250 -9.177 -12.618 681 2HB ALA 89 2HB ALA 89 -3.010 -10.043 -11.282 682 3HB ALA 89 3HB ALA 89 -1.846 -10.867 -12.320 683 H ALA 90 H ALA 90 -2.429 -8.856 -8.931 684 HA ALA 90 HA ALA 90 -2.720 -6.029 -9.452 685 1HB ALA 90 1HB ALA 90 -3.697 -5.914 -7.234 686 2HB ALA 90 2HB ALA 90 -2.953 -7.446 -6.774 687 3HB ALA 90 3HB ALA 90 -4.243 -7.418 -7.975 688 H ALA 91 H ALA 91 -0.393 -8.010 -7.696 689 HA ALA 91 HA ALA 91 0.951 -6.081 -6.157 690 1HB ALA 91 1HB ALA 91 2.832 -7.512 -6.186 691 2HB ALA 91 2HB ALA 91 2.475 -8.100 -7.809 692 3HB ALA 91 3HB ALA 91 1.476 -8.607 -6.447 693 H GLU 92 H GLU 92 1.283 -6.803 -9.629 694 HA GLU 92 HA GLU 92 3.285 -4.793 -10.117 695 1HB GLU 92 2HB GLU 92 1.391 -6.401 -11.805 696 2HB GLU 92 1HB GLU 92 2.145 -4.984 -12.535 697 1HG GLU 92 2HG GLU 92 4.300 -5.868 -12.382 698 2HG GLU 92 1HG GLU 92 3.887 -6.920 -11.028 699 H GLN 93 H GLN 93 -0.194 -4.751 -9.737 700 HA GLN 93 HA GLN 93 -0.541 -2.079 -10.839 701 1HB GLN 93 2HB GLN 93 -2.379 -3.862 -10.502 702 2HB GLN 93 1HB GLN 93 -2.327 -3.449 -8.796 703 1HG GLN 93 2HG GLN 93 -2.594 -1.098 -10.605 704 2HG GLN 93 1HG GLN 93 -3.953 -2.214 -10.639 705 1HE2 GLN 93 1HE2 GLN 93 -1.901 -1.440 -7.774 706 2HE2 GLN 93 2HE2 GLN 93 -3.173 -0.781 -6.855 707 H LEU 94 H LEU 94 -0.052 -3.549 -7.654 708 HA LEU 94 HA LEU 94 -0.171 -1.074 -6.194 709 1HB LEU 94 2HB LEU 94 0.990 -3.794 -5.577 710 2HB LEU 94 1HB LEU 94 1.182 -2.443 -4.463 711 HG LEU 94 HG LEU 94 -1.391 -2.177 -4.619 712 1HD1 LEU 94 1HD1 LEU 94 -1.868 -3.580 -6.516 713 2HD1 LEU 94 2HD1 LEU 94 -2.524 -4.392 -5.094 714 3HD1 LEU 94 3HD1 LEU 94 -1.013 -4.939 -5.794 715 1HD2 LEU 94 1HD2 LEU 94 -0.048 -4.546 -3.306 716 2HD2 LEU 94 2HD2 LEU 94 -1.720 -4.105 -2.999 717 3HD2 LEU 94 3HD2 LEU 94 -0.427 -2.983 -2.584 718 H LYS 95 H LYS 95 2.454 -2.866 -7.801 719 HA LYS 95 HA LYS 95 4.652 -1.326 -6.845 720 1HB LYS 95 2HB LYS 95 4.109 -2.576 -9.565 721 2HB LYS 95 1HB LYS 95 5.635 -1.783 -9.167 722 1HG LYS 95 2HG LYS 95 5.425 -3.464 -7.021 723 2HG LYS 95 1HG LYS 95 4.549 -4.405 -8.215 724 1HD LYS 95 2HD LYS 95 6.846 -5.077 -8.350 725 2HD LYS 95 1HD LYS 95 6.518 -4.095 -9.776 726 1HE LYS 95 2HE LYS 95 8.087 -2.552 -9.152 727 2HE LYS 95 1HE LYS 95 7.431 -2.437 -7.517 728 1HZ LYS 95 1HZ LYS 95 8.930 -4.846 -8.258 729 2HZ LYS 95 2HZ LYS 95 8.797 -4.070 -6.753 730 3HZ LYS 95 3HZ LYS 95 9.798 -3.420 -7.963 731 H THR 96 H THR 96 2.257 -0.746 -9.359 732 HA THR 96 HA THR 96 3.341 1.807 -10.203 733 HB THR 96 HB THR 96 0.421 1.094 -10.491 734 HG1 THR 96 1HG THR 96 1.090 -0.781 -11.175 735 1HG2 THR 96 1HG2 THR 96 0.647 2.187 -12.607 736 2HG2 THR 96 2HG2 THR 96 2.408 2.133 -12.523 737 3HG2 THR 96 3HG2 THR 96 1.505 3.197 -11.444 738 H THR 97 H THR 97 1.227 0.761 -7.577 739 HA THR 97 HA THR 97 -0.007 3.287 -7.064 740 HB THR 97 HB THR 97 0.588 0.909 -5.325 741 HG1 THR 97 1HG THR 97 -1.583 0.797 -5.298 742 1HG2 THR 97 1HG2 THR 97 -0.198 3.653 -4.376 743 2HG2 THR 97 2HG2 THR 97 1.074 2.600 -3.749 744 3HG2 THR 97 3HG2 THR 97 -0.622 2.199 -3.473 745 H ILE 98 H ILE 98 3.037 1.837 -5.907 746 HA ILE 98 HA ILE 98 3.958 3.880 -4.232 747 HB ILE 98 HB ILE 98 5.573 2.296 -6.231 748 1HG1 ILE 98 2HG1 ILE 98 5.062 1.691 -3.306 749 2HG1 ILE 98 1HG1 ILE 98 4.119 0.977 -4.616 750 1HG2 ILE 98 1HG2 ILE 98 6.968 4.038 -5.417 751 2HG2 ILE 98 2HG2 ILE 98 7.356 2.657 -4.392 752 3HG2 ILE 98 3HG2 ILE 98 6.293 3.929 -3.792 753 1HD1 ILE 98 1HD1 ILE 98 6.144 0.001 -5.583 754 2HD1 ILE 98 2HD1 ILE 98 5.986 -0.499 -3.899 755 3HD1 ILE 98 3HD1 ILE 98 7.131 0.768 -4.339 756 H ARG 99 H ARG 99 4.161 3.562 -7.766 757 HA ARG 99 HA ARG 99 5.613 5.971 -8.217 758 1HB ARG 99 2HB ARG 99 5.286 4.192 -9.919 759 2HB ARG 99 1HB ARG 99 3.592 4.658 -10.051 760 1HG ARG 99 2HG ARG 99 4.077 6.475 -11.363 761 2HG ARG 99 1HG ARG 99 5.412 6.975 -10.328 762 1HD ARG 99 2HD ARG 99 5.688 4.609 -12.185 763 2HD ARG 99 1HD ARG 99 5.969 6.256 -12.750 764 HE ARG 99 HE ARG 99 7.438 5.681 -10.312 765 1HH1 ARG 99 1HH2 ARG 99 7.328 5.315 -13.739 766 2HH1 ARG 99 2HH2 ARG 99 9.047 5.188 -13.912 767 1HH2 ARG 99 1HH1 ARG 99 9.680 5.521 -10.519 768 2HH2 ARG 99 2HH1 ARG 99 10.379 5.305 -12.089 769 H ALA 100 H ALA 100 2.086 5.385 -8.557 770 HA ALA 100 HA ALA 100 1.424 8.153 -8.902 771 1HB ALA 100 1HB ALA 100 -0.140 6.349 -9.506 772 2HB ALA 100 2HB ALA 100 -0.888 7.446 -8.346 773 3HB ALA 100 3HB ALA 100 -0.271 5.884 -7.809 774 H TYR 101 H TYR 101 2.234 6.281 -6.112 775 HA TYR 101 HA TYR 101 0.984 8.066 -4.189 776 1HB TYR 101 2HB TYR 101 1.430 5.779 -3.530 777 2HB TYR 101 1HB TYR 101 3.108 5.939 -4.011 778 HD1 TYR 101 1HD TYR 101 4.633 7.456 -2.794 779 HD2 TYR 101 2HD TYR 101 0.714 6.485 -1.362 780 HE1 TYR 101 1HE TYR 101 5.262 8.252 -0.547 781 HE2 TYR 101 2HE TYR 101 1.334 7.279 0.897 782 HH TYR 101 HH TYR 101 4.411 8.894 1.492 783 H ASN 102 H ASN 102 3.981 7.825 -5.965 784 HA ASN 102 HA ASN 102 5.470 9.614 -4.314 785 1HB ASN 102 2HB ASN 102 7.018 8.602 -5.606 786 2HB ASN 102 1HB ASN 102 5.883 8.313 -6.918 787 1HD2 ASN 102 1HD2 ASN 102 6.739 11.529 -5.547 788 2HD2 ASN 102 2HD2 ASN 102 7.460 12.114 -6.970 789 H GLN 103 H GLN 103 3.259 10.214 -7.067 790 HA GLN 103 HA GLN 103 4.005 13.008 -7.211 791 1HB GLN 103 2HB GLN 103 2.097 13.357 -8.584 792 2HB GLN 103 1HB GLN 103 2.581 11.705 -8.947 793 1HG GLN 103 2HG GLN 103 0.264 11.507 -8.633 794 2HG GLN 103 1HG GLN 103 0.917 11.054 -7.071 795 1HE2 GLN 103 1HE2 GLN 103 0.179 12.159 -5.296 796 2HE2 GLN 103 2HE2 GLN 103 -0.679 13.622 -5.347 797 H LYS 104 H LYS 104 2.183 11.018 -5.106 798 HA LYS 104 HA LYS 104 0.886 13.273 -3.714 799 1HB LYS 104 2HB LYS 104 -0.476 11.580 -3.030 800 2HB LYS 104 1HB LYS 104 0.601 10.394 -3.742 801 1HG LYS 104 2HG LYS 104 1.889 10.255 -1.692 802 2HG LYS 104 1HG LYS 104 0.985 11.587 -0.986 803 1HD LYS 104 2HD LYS 104 -1.112 10.091 -1.424 804 2HD LYS 104 1HD LYS 104 0.057 8.787 -1.548 805 1HE LYS 104 2HE LYS 104 -0.634 10.492 0.823 806 2HE LYS 104 1HE LYS 104 -0.480 8.740 0.716 807 1HZ LYS 104 1HZ LYS 104 1.481 10.656 1.396 808 2HZ LYS 104 2HZ LYS 104 1.982 9.805 0.015 809 3HZ LYS 104 3HZ LYS 104 1.593 8.965 1.436 810 H TYR 105 H TYR 105 3.832 11.339 -3.478 811 HA TYR 105 HA TYR 105 4.535 12.675 -0.932 812 1HB TYR 105 2HB TYR 105 5.425 10.647 -0.471 813 2HB TYR 105 1HB TYR 105 5.140 10.113 -2.110 814 HD1 TYR 105 1HD TYR 105 6.853 11.338 -3.862 815 HD2 TYR 105 2HD TYR 105 7.640 10.482 0.258 816 HE1 TYR 105 1HE TYR 105 9.292 11.341 -4.336 817 HE2 TYR 105 2HE TYR 105 10.078 10.497 -0.197 818 HH TYR 105 HH TYR 105 11.590 11.658 -2.065 819 H GLY 106 H GLY 106 4.541 13.612 -3.961 820 1HA GLY 106 2HA GLY 106 7.317 14.556 -4.201 821 2HA GLY 106 1HA GLY 106 5.999 14.909 -5.320 Start of MODEL 10 1 1H ALA 1 1HT ALA 1 15.355 5.351 11.559 2 2H ALA 1 2HT ALA 1 14.605 6.871 11.429 3 3H ALA 1 3HT ALA 1 16.168 6.635 10.806 4 HA ALA 1 HA ALA 1 14.442 6.678 9.065 5 1HB ALA 1 1HB ALA 1 15.334 4.804 7.869 6 2HB ALA 1 2HB ALA 1 15.707 3.945 9.363 7 3HB ALA 1 3HB ALA 1 16.630 5.379 8.915 8 H ASP 2 H ASP 2 12.489 6.574 10.738 9 HA ASP 2 HA ASP 2 11.271 3.899 10.973 10 1HB ASP 2 2HB ASP 2 10.503 6.694 11.798 11 2HB ASP 2 1HB ASP 2 9.323 5.383 11.870 12 H LEU 3 H LEU 3 11.208 6.599 8.841 13 HA LEU 3 HA LEU 3 8.620 5.840 7.650 14 1HB LEU 3 2HB LEU 3 10.597 7.944 6.708 15 2HB LEU 3 1HB LEU 3 8.911 7.784 6.220 16 HG LEU 3 HG LEU 3 9.874 8.387 9.035 17 1HD1 LEU 3 1HD1 LEU 3 9.136 10.627 8.663 18 2HD1 LEU 3 2HD1 LEU 3 8.357 10.194 7.142 19 3HD1 LEU 3 3HD1 LEU 3 10.117 10.207 7.259 20 1HD2 LEU 3 1HD2 LEU 3 7.817 7.264 9.300 21 2HD2 LEU 3 2HD2 LEU 3 7.152 7.928 7.808 22 3HD2 LEU 3 3HD2 LEU 3 7.328 8.955 9.231 23 H GLU 4 H GLU 4 12.046 6.044 6.708 24 HA GLU 4 HA GLU 4 11.716 4.833 4.128 25 1HB GLU 4 2HB GLU 4 14.189 4.551 5.848 26 2HB GLU 4 1HB GLU 4 14.085 4.675 4.091 27 1HG GLU 4 2HG GLU 4 13.170 7.011 4.396 28 2HG GLU 4 1HG GLU 4 13.557 6.866 6.111 29 H ASP 5 H ASP 5 11.807 3.724 7.377 30 HA ASP 5 HA ASP 5 12.454 0.957 6.794 31 1HB ASP 5 2HB ASP 5 12.861 1.587 9.013 32 2HB ASP 5 1HB ASP 5 11.366 2.515 9.115 33 H ASN 6 H ASN 6 9.409 2.723 7.427 34 HA ASN 6 HA ASN 6 7.628 0.552 7.216 35 1HB ASN 6 2HB ASN 6 6.397 2.395 7.833 36 2HB ASN 6 1HB ASN 6 7.481 3.498 6.998 37 1HD2 ASN 6 1HD2 ASN 6 7.268 3.211 4.432 38 2HD2 ASN 6 2HD2 ASN 6 5.672 3.160 3.851 39 H TRP 7 H TRP 7 9.142 2.510 4.685 40 HA TRP 7 HA TRP 7 7.702 1.551 2.448 41 1HB TRP 7 2HB TRP 7 10.493 2.613 2.850 42 2HB TRP 7 1HB TRP 7 10.086 1.904 1.291 43 HD1 TRP 7 HD TRP 7 8.348 4.431 3.682 44 HE1 TRP 7 1HE TRP 7 7.446 6.377 2.249 45 HE3 TRP 7 3HE TRP 7 9.794 2.849 -0.950 46 HZ2 TRP 7 2HZ TRP 7 7.355 7.154 -0.498 47 HZ3 TRP 7 3HZ TRP 7 9.284 4.209 -2.959 48 HH2 TRP 7 HH TRP 7 8.066 6.358 -2.738 49 H GLU 8 H GLU 8 10.812 0.247 3.722 50 HA GLU 8 HA GLU 8 10.991 -1.915 1.977 51 1HB GLU 8 2HB GLU 8 12.659 -1.179 3.767 52 2HB GLU 8 1HB GLU 8 11.664 -2.081 4.910 53 1HG GLU 8 2HG GLU 8 11.878 -4.054 3.337 54 2HG GLU 8 1HG GLU 8 13.144 -3.151 2.511 55 H THR 9 H THR 9 8.873 -1.493 4.778 56 HA THR 9 HA THR 9 8.152 -4.280 4.943 57 HB THR 9 HB THR 9 6.645 -1.822 5.880 58 HG1 THR 9 1HG THR 9 7.449 -3.100 7.900 59 1HG2 THR 9 1HG2 THR 9 5.033 -3.564 5.633 60 2HG2 THR 9 2HG2 THR 9 5.476 -3.551 7.340 61 3HG2 THR 9 3HG2 THR 9 6.148 -4.776 6.264 62 H LEU 10 H LEU 10 6.119 -1.555 3.741 63 HA LEU 10 HA LEU 10 4.293 -3.290 2.424 64 1HB LEU 10 2HB LEU 10 3.636 -1.318 1.049 65 2HB LEU 10 1HB LEU 10 3.685 -0.976 2.774 66 HG LEU 10 HG LEU 10 6.238 -0.298 2.086 67 1HD1 LEU 10 1HD1 LEU 10 5.605 -0.753 -0.360 68 2HD1 LEU 10 2HD1 LEU 10 6.346 0.806 -0.016 69 3HD1 LEU 10 3HD1 LEU 10 4.603 0.691 -0.249 70 1HD2 LEU 10 1HD2 LEU 10 3.743 1.407 1.999 71 2HD2 LEU 10 2HD2 LEU 10 5.373 2.079 1.959 72 3HD2 LEU 10 3HD2 LEU 10 4.830 1.166 3.367 73 H ASN 11 H ASN 11 7.449 -2.076 1.469 74 HA ASN 11 HA ASN 11 7.196 -2.901 -1.304 75 1HB ASN 11 2HB ASN 11 8.939 -1.264 -0.180 76 2HB ASN 11 1HB ASN 11 9.879 -2.734 0.076 77 1HD2 ASN 11 1HD2 ASN 11 8.718 -3.939 -2.498 78 2HD2 ASN 11 2HD2 ASN 11 9.515 -3.131 -3.762 79 H ASP 12 H ASP 12 9.096 -4.295 1.399 80 HA ASP 12 HA ASP 12 9.762 -6.737 0.128 81 1HB ASP 12 2HB ASP 12 10.841 -6.051 2.204 82 2HB ASP 12 1HB ASP 12 9.309 -6.154 3.070 83 H ASN 13 H ASN 13 6.731 -5.618 1.172 84 HA ASN 13 HA ASN 13 5.509 -8.164 1.817 85 1HB ASN 13 2HB ASN 13 4.713 -5.350 1.516 86 2HB ASN 13 1HB ASN 13 3.513 -6.430 0.868 87 1HD2 ASN 13 1HD2 ASN 13 3.638 -4.668 3.402 88 2HD2 ASN 13 2HD2 ASN 13 3.145 -5.728 4.647 89 H LEU 14 H LEU 14 5.438 -5.986 -0.998 90 HA LEU 14 HA LEU 14 3.944 -7.591 -2.757 91 1HB LEU 14 2HB LEU 14 6.179 -5.628 -3.283 92 2HB LEU 14 1HB LEU 14 5.165 -6.305 -4.558 93 HG LEU 14 HG LEU 14 3.810 -5.061 -2.174 94 1HD1 LEU 14 1HD1 LEU 14 3.852 -2.869 -3.548 95 2HD1 LEU 14 2HD1 LEU 14 5.265 -3.561 -4.344 96 3HD1 LEU 14 3HD1 LEU 14 5.283 -3.281 -2.604 97 1HD2 LEU 14 1HD2 LEU 14 3.158 -4.957 -5.134 98 2HD2 LEU 14 2HD2 LEU 14 2.090 -4.586 -3.785 99 3HD2 LEU 14 3HD2 LEU 14 2.601 -6.246 -4.066 100 H LYS 15 H LYS 15 7.296 -7.905 -1.785 101 HA LYS 15 HA LYS 15 8.084 -9.547 -4.022 102 1HB LYS 15 2HB LYS 15 9.670 -8.430 -2.378 103 2HB LYS 15 1HB LYS 15 9.229 -9.690 -1.222 104 1HG LYS 15 2HG LYS 15 9.829 -11.314 -3.258 105 2HG LYS 15 1HG LYS 15 10.784 -9.926 -3.788 106 1HD LYS 15 2HD LYS 15 11.005 -11.336 -1.112 107 2HD LYS 15 1HD LYS 15 12.177 -11.398 -2.427 108 1HE LYS 15 2HE LYS 15 12.360 -8.869 -2.225 109 2HE LYS 15 1HE LYS 15 11.427 -9.004 -0.736 110 1HZ LYS 15 1HZ LYS 15 13.738 -9.043 -0.197 111 2HZ LYS 15 2HZ LYS 15 14.042 -10.279 -1.321 112 3HZ LYS 15 3HZ LYS 15 13.114 -10.598 0.067 113 H VAL 16 H VAL 16 7.226 -10.459 -0.648 114 HA VAL 16 HA VAL 16 7.255 -13.237 -1.111 115 HB VAL 16 HB VAL 16 5.579 -13.452 0.749 116 1HG1 VAL 16 1HG1 VAL 16 7.142 -12.333 2.437 117 2HG1 VAL 16 2HG1 VAL 16 8.077 -11.795 1.041 118 3HG1 VAL 16 3HG1 VAL 16 7.854 -13.519 1.343 119 1HG2 VAL 16 1HG2 VAL 16 4.701 -11.576 1.851 120 2HG2 VAL 16 2HG2 VAL 16 4.537 -11.153 0.151 121 3HG2 VAL 16 3HG2 VAL 16 5.849 -10.468 1.109 122 H ILE 17 H ILE 17 4.917 -10.929 -2.294 123 HA ILE 17 HA ILE 17 2.799 -12.890 -2.647 124 HB ILE 17 HB ILE 17 3.167 -10.426 -4.366 125 1HG1 ILE 17 2HG1 ILE 17 2.073 -10.643 -1.551 126 2HG1 ILE 17 1HG1 ILE 17 3.499 -9.756 -2.068 127 1HG2 ILE 17 1HG2 ILE 17 0.637 -11.635 -3.228 128 2HG2 ILE 17 2HG2 ILE 17 1.329 -12.206 -4.744 129 3HG2 ILE 17 3HG2 ILE 17 0.801 -10.528 -4.591 130 1HD1 ILE 17 1HD1 ILE 17 0.618 -9.169 -2.736 131 2HD1 ILE 17 2HD1 ILE 17 1.954 -8.456 -3.639 132 3HD1 ILE 17 3HD1 ILE 17 1.773 -8.119 -1.917 133 H GLU 18 H GLU 18 4.641 -11.258 -5.259 134 HA GLU 18 HA GLU 18 4.158 -13.162 -7.260 135 1HB GLU 18 2HB GLU 18 6.935 -12.019 -7.118 136 2HB GLU 18 1HB GLU 18 5.813 -12.081 -8.479 137 1HG GLU 18 2HG GLU 18 4.389 -10.421 -7.014 138 2HG GLU 18 1HG GLU 18 5.915 -10.128 -6.192 139 H LYS 19 H LYS 19 6.275 -13.331 -4.511 140 HA LYS 19 HA LYS 19 7.414 -15.923 -5.463 141 1HB LYS 19 2HB LYS 19 8.379 -13.749 -3.727 142 2HB LYS 19 1HB LYS 19 8.610 -15.327 -2.989 143 1HG LYS 19 2HG LYS 19 10.586 -14.864 -4.257 144 2HG LYS 19 1HG LYS 19 9.679 -16.075 -5.149 145 1HD LYS 19 2HD LYS 19 9.782 -14.702 -6.969 146 2HD LYS 19 1HD LYS 19 8.681 -13.615 -6.130 147 1HE LYS 19 2HE LYS 19 10.619 -12.334 -6.780 148 2HE LYS 19 1HE LYS 19 10.702 -12.560 -5.033 149 1HZ LYS 19 1HZ LYS 19 12.578 -13.318 -6.953 150 2HZ LYS 19 2HZ LYS 19 11.937 -14.744 -6.287 151 3HZ LYS 19 3HZ LYS 19 12.639 -13.572 -5.277 152 H ALA 20 H ALA 20 4.754 -14.891 -3.783 153 HA ALA 20 HA ALA 20 4.753 -16.535 -1.451 154 1HB ALA 20 1HB ALA 20 2.906 -15.094 -1.470 155 2HB ALA 20 2HB ALA 20 2.146 -16.591 -1.996 156 3HB ALA 20 3HB ALA 20 2.579 -15.374 -3.176 157 H ASP 21 H ASP 21 3.771 -17.128 -4.769 158 HA ASP 21 HA ASP 21 3.422 -19.072 -5.984 159 1HB ASP 21 2HB ASP 21 5.336 -20.048 -3.862 160 2HB ASP 21 1HB ASP 21 4.720 -21.112 -5.120 161 H ASN 22 H ASN 22 2.259 -18.777 -2.802 162 HA ASN 22 HA ASN 22 0.225 -20.837 -3.414 163 1HB ASN 22 2HB ASN 22 1.332 -20.868 -0.613 164 2HB ASN 22 1HB ASN 22 0.457 -22.127 -1.487 165 1HD2 ASN 22 1HD2 ASN 22 3.412 -20.213 -2.062 166 2HD2 ASN 22 2HD2 ASN 22 4.372 -21.539 -2.473 167 H ALA 23 H ALA 23 -1.765 -20.368 -2.522 168 HA ALA 23 HA ALA 23 -2.435 -17.698 -1.945 169 1HB ALA 23 1HB ALA 23 -4.144 -19.210 -2.647 170 2HB ALA 23 2HB ALA 23 -4.572 -18.686 -1.018 171 3HB ALA 23 3HB ALA 23 -3.854 -20.276 -1.274 172 H ALA 24 H ALA 24 -1.373 -20.217 0.289 173 HA ALA 24 HA ALA 24 -2.300 -19.000 2.695 174 1HB ALA 24 1HB ALA 24 -1.376 -21.304 2.565 175 2HB ALA 24 2HB ALA 24 -0.604 -20.347 3.829 176 3HB ALA 24 3HB ALA 24 0.229 -20.625 2.300 177 H GLN 25 H GLN 25 0.889 -18.705 1.103 178 HA GLN 25 HA GLN 25 1.872 -16.746 2.948 179 1HB GLN 25 2HB GLN 25 2.856 -16.980 0.117 180 2HB GLN 25 1HB GLN 25 3.764 -16.648 1.580 181 1HG GLN 25 2HG GLN 25 2.978 -19.056 2.298 182 2HG GLN 25 1HG GLN 25 2.689 -19.275 0.569 183 1HE2 GLN 25 1HE2 GLN 25 4.681 -18.533 -0.844 184 2HE2 GLN 25 2HE2 GLN 25 6.209 -18.981 -0.256 185 H VAL 26 H VAL 26 -0.269 -16.519 0.243 186 HA VAL 26 HA VAL 26 0.284 -13.729 -0.383 187 HB VAL 26 HB VAL 26 -2.295 -15.249 -0.894 188 1HG1 VAL 26 1HG1 VAL 26 -2.816 -13.541 -2.472 189 2HG1 VAL 26 2HG1 VAL 26 -1.177 -12.897 -2.442 190 3HG1 VAL 26 3HG1 VAL 26 -2.239 -12.659 -1.062 191 1HG2 VAL 26 1HG2 VAL 26 -1.422 -15.895 -3.004 192 2HG2 VAL 26 2HG2 VAL 26 -0.104 -16.197 -1.887 193 3HG2 VAL 26 3HG2 VAL 26 -0.076 -14.763 -2.892 194 H LYS 27 H LYS 27 -2.334 -15.338 1.539 195 HA LYS 27 HA LYS 27 -3.587 -12.948 2.397 196 1HB LYS 27 2HB LYS 27 -3.061 -15.455 4.024 197 2HB LYS 27 1HB LYS 27 -4.191 -14.193 4.475 198 1HG LYS 27 2HG LYS 27 -5.825 -15.135 3.205 199 2HG LYS 27 1HG LYS 27 -4.813 -15.072 1.776 200 1HD LYS 27 2HD LYS 27 -5.380 -17.397 2.190 201 2HD LYS 27 1HD LYS 27 -3.676 -17.159 2.538 202 1HE LYS 27 2HE LYS 27 -3.941 -17.460 4.801 203 2HE LYS 27 1HE LYS 27 -5.575 -16.796 4.815 204 1HZ LYS 27 1HZ LYS 27 -6.245 -18.897 4.894 205 2HZ LYS 27 2HZ LYS 27 -4.714 -19.506 4.482 206 3HZ LYS 27 3HZ LYS 27 -5.792 -19.016 3.264 207 H ASP 28 H ASP 28 -1.094 -14.874 3.951 208 HA ASP 28 HA ASP 28 -0.409 -13.246 6.101 209 1HB ASP 28 2HB ASP 28 1.550 -14.767 4.351 210 2HB ASP 28 1HB ASP 28 1.745 -14.381 6.061 211 H ALA 29 H ALA 29 0.645 -12.988 2.722 212 HA ALA 29 HA ALA 29 2.579 -10.928 3.180 213 1HB ALA 29 1HB ALA 29 0.997 -11.600 0.685 214 2HB ALA 29 2HB ALA 29 2.589 -12.232 1.109 215 3HB ALA 29 3HB ALA 29 2.386 -10.518 0.740 216 H LEU 30 H LEU 30 -0.634 -10.641 1.629 217 HA LEU 30 HA LEU 30 -0.711 -7.802 1.781 218 1HB LEU 30 2HB LEU 30 -3.056 -9.724 1.733 219 2HB LEU 30 1HB LEU 30 -3.095 -8.023 1.289 220 HG LEU 30 HG LEU 30 -1.505 -10.190 -0.110 221 1HD1 LEU 30 1HD1 LEU 30 -3.041 -9.787 -1.967 222 2HD1 LEU 30 2HD1 LEU 30 -3.853 -8.515 -1.054 223 3HD1 LEU 30 3HD1 LEU 30 -3.963 -10.190 -0.521 224 1HD2 LEU 30 1HD2 LEU 30 -0.172 -8.291 -0.431 225 2HD2 LEU 30 2HD2 LEU 30 -1.544 -7.185 -0.362 226 3HD2 LEU 30 3HD2 LEU 30 -1.271 -8.163 -1.803 227 H THR 31 H THR 31 -1.263 -10.188 4.226 228 HA THR 31 HA THR 31 -2.990 -8.717 5.978 229 HB THR 31 HB THR 31 -0.696 -10.555 6.758 230 HG1 THR 31 1HG THR 31 -3.358 -11.391 6.582 231 1HG2 THR 31 1HG2 THR 31 -3.284 -10.349 8.266 232 2HG2 THR 31 2HG2 THR 31 -2.091 -9.073 8.498 233 3HG2 THR 31 3HG2 THR 31 -1.674 -10.745 8.861 234 H LYS 32 H LYS 32 0.541 -8.901 5.731 235 HA LYS 32 HA LYS 32 1.032 -6.933 7.781 236 1HB LYS 32 2HB LYS 32 2.656 -8.212 5.589 237 2HB LYS 32 1HB LYS 32 3.351 -6.943 6.594 238 1HG LYS 32 2HG LYS 32 2.066 -8.887 8.335 239 2HG LYS 32 1HG LYS 32 3.080 -9.762 7.201 240 1HD LYS 32 2HD LYS 32 4.143 -7.360 8.705 241 2HD LYS 32 1HD LYS 32 4.144 -8.968 9.421 242 1HE LYS 32 2HE LYS 32 6.277 -8.294 8.176 243 2HE LYS 32 1HE LYS 32 5.567 -9.844 7.724 244 1HZ LYS 32 1HZ LYS 32 5.284 -7.264 6.286 245 2HZ LYS 32 2HZ LYS 32 4.419 -8.673 5.894 246 3HZ LYS 32 3HZ LYS 32 6.111 -8.644 5.751 247 H MET 33 H MET 33 0.344 -6.732 4.346 248 HA MET 33 HA MET 33 1.376 -4.061 3.934 249 1HB MET 33 2HB MET 33 -0.834 -5.611 2.569 250 2HB MET 33 1HB MET 33 -0.294 -4.025 2.026 251 1HG MET 33 2HG MET 33 2.057 -5.023 1.948 252 2HG MET 33 1HG MET 33 1.276 -6.597 2.098 253 1HE MET 33 1HE MET 33 1.466 -3.263 0.020 254 2HE MET 33 2HE MET 33 1.821 -4.019 -1.528 255 3HE MET 33 3HE MET 33 2.853 -4.349 -0.143 256 H ARG 34 H ARG 34 -2.003 -5.121 4.102 257 HA ARG 34 HA ARG 34 -3.171 -2.629 4.542 258 1HB ARG 34 2HB ARG 34 -4.253 -5.020 4.302 259 2HB ARG 34 1HB ARG 34 -4.196 -5.035 6.059 260 1HG ARG 34 2HG ARG 34 -5.734 -3.277 6.269 261 2HG ARG 34 1HG ARG 34 -5.400 -2.645 4.663 262 1HD ARG 34 2HD ARG 34 -6.452 -4.782 3.738 263 2HD ARG 34 1HD ARG 34 -7.022 -5.097 5.365 264 HE ARG 34 HE ARG 34 -7.920 -2.901 3.603 265 1HH1 ARG 34 1HH2 ARG 34 -7.907 -4.400 6.719 266 2HH1 ARG 34 2HH2 ARG 34 -9.434 -3.737 7.190 267 1HH2 ARG 34 1HH1 ARG 34 -9.947 -2.054 4.213 268 2HH2 ARG 34 2HH1 ARG 34 -10.577 -2.412 5.783 269 H ALA 35 H ALA 35 -1.192 -4.502 6.619 270 HA ALA 35 HA ALA 35 -1.967 -3.171 9.103 271 1HB ALA 35 1HB ALA 35 0.719 -4.475 8.664 272 2HB ALA 35 2HB ALA 35 -0.735 -5.462 8.789 273 3HB ALA 35 3HB ALA 35 -0.261 -4.420 10.128 274 H ALA 36 H ALA 36 1.080 -3.049 7.191 275 HA ALA 36 HA ALA 36 1.974 -0.614 8.423 276 1HB ALA 36 1HB ALA 36 2.720 -1.523 5.636 277 2HB ALA 36 2HB ALA 36 3.363 -2.305 7.082 278 3HB ALA 36 3HB ALA 36 3.700 -0.600 6.777 279 H ALA 37 H ALA 37 -0.164 -1.257 5.715 280 HA ALA 37 HA ALA 37 -0.074 1.296 4.463 281 1HB ALA 37 1HB ALA 37 -2.118 0.709 3.419 282 2HB ALA 37 2HB ALA 37 -2.623 -0.296 4.778 283 3HB ALA 37 3HB ALA 37 -1.327 -0.839 3.710 284 H LEU 38 H LEU 38 -1.968 0.107 7.226 285 HA LEU 38 HA LEU 38 -3.447 2.539 7.622 286 1HB LEU 38 2HB LEU 38 -2.657 0.333 9.548 287 2HB LEU 38 1HB LEU 38 -3.761 1.640 9.963 288 HG LEU 38 HG LEU 38 -4.278 -0.055 7.516 289 1HD1 LEU 38 1HD1 LEU 38 -5.771 -1.455 9.014 290 2HD1 LEU 38 2HD1 LEU 38 -4.938 -0.735 10.391 291 3HD1 LEU 38 3HD1 LEU 38 -4.040 -1.716 9.233 292 1HD2 LEU 38 1HD2 LEU 38 -6.008 1.536 9.442 293 2HD2 LEU 38 2HD2 LEU 38 -6.657 0.503 8.171 294 3HD2 LEU 38 3HD2 LEU 38 -5.684 1.907 7.747 295 H ASP 39 H ASP 39 -0.227 1.466 8.506 296 HA ASP 39 HA ASP 39 0.168 3.735 10.348 297 1HB ASP 39 2HB ASP 39 1.241 1.441 10.638 298 2HB ASP 39 1HB ASP 39 2.272 1.846 9.265 299 H ALA 40 H ALA 40 1.065 2.837 7.031 300 HA ALA 40 HA ALA 40 2.963 4.879 6.550 301 1HB ALA 40 1HB ALA 40 0.881 3.853 4.591 302 2HB ALA 40 2HB ALA 40 2.417 3.054 4.929 303 3HB ALA 40 3HB ALA 40 2.401 4.649 4.179 304 H GLN 41 H GLN 41 -0.523 5.015 6.784 305 HA GLN 41 HA GLN 41 -1.164 7.446 5.581 306 1HB GLN 41 2HB GLN 41 -2.777 5.965 6.762 307 2HB GLN 41 1HB GLN 41 -2.071 6.439 8.302 308 1HG GLN 41 2HG GLN 41 -3.035 8.604 6.457 309 2HG GLN 41 1HG GLN 41 -4.230 7.681 7.361 310 1HE2 GLN 41 1HE2 GLN 41 -1.562 9.986 7.677 311 2HE2 GLN 41 2HE2 GLN 41 -1.839 10.346 9.313 312 H LYS 42 H LYS 42 -0.031 6.937 8.887 313 HA LYS 42 HA LYS 42 0.321 9.703 9.543 314 1HB LYS 42 2HB LYS 42 2.047 7.608 10.834 315 2HB LYS 42 1HB LYS 42 1.159 8.937 11.583 316 1HG LYS 42 2HG LYS 42 -0.088 6.404 10.450 317 2HG LYS 42 1HG LYS 42 0.210 6.709 12.145 318 1HD LYS 42 2HD LYS 42 -1.390 8.773 10.684 319 2HD LYS 42 1HD LYS 42 -2.170 7.235 11.002 320 1HE LYS 42 2HE LYS 42 -0.747 8.792 13.168 321 2HE LYS 42 1HE LYS 42 -2.449 9.049 12.789 322 1HZ LYS 42 1HZ LYS 42 -2.951 7.277 13.988 323 2HZ LYS 42 2HZ LYS 42 -1.311 7.031 14.355 324 3HZ LYS 42 3HZ LYS 42 -1.998 6.296 12.986 325 H ALA 43 H ALA 43 1.848 8.151 7.135 326 HA ALA 43 HA ALA 43 4.608 8.945 7.731 327 1HB ALA 43 1HB ALA 43 5.160 8.069 5.569 328 2HB ALA 43 2HB ALA 43 3.479 8.132 5.043 329 3HB ALA 43 3HB ALA 43 3.977 6.969 6.273 330 H THR 44 H THR 44 5.722 10.680 6.816 331 HA THR 44 HA THR 44 4.339 12.522 4.974 332 HB THR 44 HB THR 44 4.958 14.469 6.574 333 HG1 THR 44 1HG THR 44 5.146 13.914 8.699 334 1HG2 THR 44 1HG2 THR 44 2.737 12.591 7.422 335 2HG2 THR 44 2HG2 THR 44 2.636 13.708 6.060 336 3HG2 THR 44 3HG2 THR 44 2.811 14.329 7.702 337 HA PRO 45 HA PRO 45 8.955 11.658 4.458 338 1HB PRO 45 2HB PRO 45 7.954 12.231 1.686 339 2HB PRO 45 1HB PRO 45 9.154 11.045 2.229 340 1HG PRO 45 2HG PRO 45 6.648 10.313 1.630 341 2HG PRO 45 1HG PRO 45 7.564 9.544 2.932 342 1HD PRO 45 2HD PRO 45 5.265 11.421 3.136 343 2HD PRO 45 1HD PRO 45 5.827 10.201 4.296 344 HA PRO 46 HA PRO 46 9.227 16.133 3.074 345 1HB PRO 46 2HB PRO 46 7.171 17.402 1.882 346 2HB PRO 46 1HB PRO 46 8.077 16.132 1.040 347 1HG PRO 46 2HG PRO 46 5.328 16.068 2.082 348 2HG PRO 46 1HG PRO 46 6.107 15.003 0.897 349 1HD PRO 46 2HD PRO 46 5.763 14.596 3.796 350 2HD PRO 46 1HD PRO 46 6.239 13.424 2.561 351 H LYS 47 H LYS 47 6.047 17.400 3.313 352 HA LYS 47 HA LYS 47 5.800 17.725 6.155 353 1HB LYS 47 2HB LYS 47 6.280 20.326 5.953 354 2HB LYS 47 1HB LYS 47 7.607 19.215 6.256 355 1HG LYS 47 2HG LYS 47 8.288 19.227 3.964 356 2HG LYS 47 1HG LYS 47 6.796 19.997 3.457 357 1HD LYS 47 2HD LYS 47 7.933 21.987 3.576 358 2HD LYS 47 1HD LYS 47 7.897 21.814 5.327 359 1HE LYS 47 2HE LYS 47 10.089 20.926 3.440 360 2HE LYS 47 1HE LYS 47 10.187 22.154 4.701 361 1HZ LYS 47 1HZ LYS 47 10.109 20.567 6.368 362 2HZ LYS 47 2HZ LYS 47 11.095 19.830 5.195 363 3HZ LYS 47 3HZ LYS 47 9.468 19.368 5.353 364 H LEU 48 H LEU 48 3.552 17.516 5.900 365 HA LEU 48 HA LEU 48 2.190 19.005 3.788 366 1HB LEU 48 2HB LEU 48 1.624 16.649 5.022 367 2HB LEU 48 1HB LEU 48 0.600 17.716 5.975 368 HG LEU 48 HG LEU 48 0.585 17.719 2.949 369 1HD1 LEU 48 1HD1 LEU 48 -0.027 15.472 3.731 370 2HD1 LEU 48 2HD1 LEU 48 -1.449 16.311 3.112 371 3HD1 LEU 48 3HD1 LEU 48 -1.197 16.169 4.852 372 1HD2 LEU 48 1HD2 LEU 48 -1.254 18.798 5.103 373 2HD2 LEU 48 2HD2 LEU 48 -1.747 18.648 3.417 374 3HD2 LEU 48 3HD2 LEU 48 -0.405 19.705 3.851 375 H GLU 49 H GLU 49 3.603 20.588 5.708 376 HA GLU 49 HA GLU 49 1.335 22.264 6.695 377 1HB GLU 49 2HB GLU 49 2.830 22.871 8.658 378 2HB GLU 49 1HB GLU 49 2.198 21.225 8.705 379 1HG GLU 49 2HG GLU 49 4.281 20.323 7.891 380 2HG GLU 49 1HG GLU 49 4.911 21.937 7.558 381 H ASP 50 H ASP 50 3.217 22.086 4.367 382 HA ASP 50 HA ASP 50 4.007 24.936 4.355 383 1HB ASP 50 2HB ASP 50 5.905 22.643 4.520 384 2HB ASP 50 1HB ASP 50 6.313 23.869 3.317 385 H LYS 51 H LYS 51 4.036 21.839 2.625 386 HA LYS 51 HA LYS 51 4.162 23.009 0.010 387 1HB LYS 51 2HB LYS 51 3.764 20.814 -0.793 388 2HB LYS 51 1HB LYS 51 4.690 20.611 0.684 389 1HG LYS 51 2HG LYS 51 2.460 20.365 1.899 390 2HG LYS 51 1HG LYS 51 1.723 20.214 0.312 391 1HD LYS 51 2HD LYS 51 3.830 18.413 1.511 392 2HD LYS 51 1HD LYS 51 2.163 18.003 1.116 393 1HE LYS 51 2HE LYS 51 4.422 18.595 -0.797 394 2HE LYS 51 1HE LYS 51 3.459 17.125 -0.672 395 1HZ LYS 51 1HZ LYS 51 2.517 18.215 -2.459 396 2HZ LYS 51 2HZ LYS 51 2.681 19.753 -1.756 397 3HZ LYS 51 3HZ LYS 51 1.499 18.675 -1.185 398 H SER 52 H SER 52 1.844 21.563 -1.159 399 HA SER 52 HA SER 52 -0.099 23.689 -0.835 400 1HB SER 52 2HB SER 52 0.401 22.376 -2.978 401 2HB SER 52 1HB SER 52 -0.550 21.072 -2.272 402 HG SER 52 HG SER 52 -2.281 22.567 -2.085 403 HA PRO 53 HA PRO 53 -2.080 21.268 2.488 404 1HB PRO 53 2HB PRO 53 -3.647 23.169 3.526 405 2HB PRO 53 1HB PRO 53 -1.878 23.303 3.658 406 1HG PRO 53 2HG PRO 53 -3.719 24.597 1.674 407 2HG PRO 53 1HG PRO 53 -2.431 25.339 2.651 408 1HD PRO 53 2HD PRO 53 -2.063 24.557 0.041 409 2HD PRO 53 1HD PRO 53 -0.744 24.580 1.237 410 H ASP 54 H ASP 54 -3.570 22.780 -0.220 411 HA ASP 54 HA ASP 54 -5.565 22.392 -1.344 412 1HB ASP 54 2HB ASP 54 -4.719 20.011 -1.105 413 2HB ASP 54 1HB ASP 54 -5.760 19.854 0.307 414 H SER 55 H SER 55 -7.694 20.702 0.398 415 HA SER 55 HA SER 55 -8.317 22.616 2.484 416 1HB SER 55 2HB SER 55 -8.910 23.842 0.374 417 2HB SER 55 1HB SER 55 -10.142 22.619 0.075 418 HG SER 55 HG SER 55 -11.337 23.781 1.348 419 HA PRO 56 HA PRO 56 -11.816 19.135 1.934 420 1HB PRO 56 2HB PRO 56 -9.829 16.989 1.278 421 2HB PRO 56 1HB PRO 56 -11.521 17.147 0.764 422 1HG PRO 56 2HG PRO 56 -9.602 17.717 -0.931 423 2HG PRO 56 1HG PRO 56 -11.000 18.804 -0.807 424 1HD PRO 56 2HD PRO 56 -8.252 19.134 0.377 425 2HD PRO 56 1HD PRO 56 -9.256 20.341 -0.472 426 H GLU 57 H GLU 57 -10.305 20.137 4.126 427 HA GLU 57 HA GLU 57 -9.545 19.562 6.282 428 1HB GLU 57 2HB GLU 57 -12.031 18.568 5.976 429 2HB GLU 57 1HB GLU 57 -11.183 17.036 6.157 430 1HG GLU 57 2HG GLU 57 -10.982 19.355 8.109 431 2HG GLU 57 1HG GLU 57 -12.023 17.949 8.327 432 H MET 58 H MET 58 -8.186 18.543 3.875 433 HA MET 58 HA MET 58 -6.399 17.182 3.338 434 1HB MET 58 2HB MET 58 -6.396 16.251 6.212 435 2HB MET 58 1HB MET 58 -5.064 16.322 5.074 436 1HG MET 58 2HG MET 58 -4.576 18.264 6.187 437 2HG MET 58 1HG MET 58 -5.763 18.952 5.075 438 1HE MET 58 1HE MET 58 -4.759 18.714 8.760 439 2HE MET 58 2HE MET 58 -5.196 17.073 8.290 440 3HE MET 58 3HE MET 58 -6.154 17.920 9.502 441 H LYS 59 H LYS 59 -9.355 16.147 4.398 442 HA LYS 59 HA LYS 59 -9.303 13.375 4.676 443 1HB LYS 59 2HB LYS 59 -11.333 14.907 4.673 444 2HB LYS 59 1HB LYS 59 -11.235 14.921 2.906 445 1HG LYS 59 2HG LYS 59 -11.228 12.200 4.160 446 2HG LYS 59 1HG LYS 59 -12.726 13.103 4.349 447 1HD LYS 59 2HD LYS 59 -13.049 13.288 2.006 448 2HD LYS 59 1HD LYS 59 -11.386 12.831 1.653 449 1HE LYS 59 2HE LYS 59 -13.177 11.021 1.304 450 2HE LYS 59 1HE LYS 59 -11.763 10.565 2.256 451 1HZ LYS 59 1HZ LYS 59 -13.004 10.270 4.059 452 2HZ LYS 59 2HZ LYS 59 -14.361 10.342 3.040 453 3HZ LYS 59 3HZ LYS 59 -13.828 11.737 3.850 454 H ASP 60 H ASP 60 -9.262 15.305 1.722 455 HA ASP 60 HA ASP 60 -9.269 13.203 -0.156 456 1HB ASP 60 2HB ASP 60 -9.585 15.385 -0.969 457 2HB ASP 60 1HB ASP 60 -8.166 16.014 -0.138 458 H PHE 61 H PHE 61 -6.782 14.361 1.991 459 HA PHE 61 HA PHE 61 -4.576 13.011 0.630 460 1HB PHE 61 2HB PHE 61 -4.493 15.026 2.300 461 2HB PHE 61 1HB PHE 61 -4.617 13.795 3.554 462 HD1 PHE 61 1HD PHE 61 -2.624 12.890 4.387 463 HD2 PHE 61 2HD PHE 61 -2.700 14.478 0.395 464 HE1 PHE 61 1HE PHE 61 -0.191 12.455 4.167 465 HE2 PHE 61 2HE PHE 61 -0.270 14.038 0.174 466 HZ PHE 61 HZ PHE 61 0.985 13.028 2.060 467 H ARG 62 H ARG 62 -6.410 12.495 3.628 468 HA ARG 62 HA ARG 62 -5.410 9.912 4.267 469 1HB ARG 62 2HB ARG 62 -8.097 11.200 4.836 470 2HB ARG 62 1HB ARG 62 -7.529 9.733 5.614 471 1HG ARG 62 2HG ARG 62 -6.370 10.957 7.143 472 2HG ARG 62 1HG ARG 62 -5.431 11.705 5.855 473 1HD ARG 62 2HD ARG 62 -7.127 13.433 5.564 474 2HD ARG 62 1HD ARG 62 -8.169 12.636 6.734 475 HE ARG 62 HE ARG 62 -6.913 13.656 8.440 476 1HH1 ARG 62 1HH2 ARG 62 -5.152 13.484 5.480 477 2HH1 ARG 62 2HH2 ARG 62 -3.780 14.347 6.092 478 1HH2 ARG 62 1HH1 ARG 62 -5.134 14.782 9.255 479 2HH2 ARG 62 2HH1 ARG 62 -3.771 15.084 8.229 480 H HIS 63 H HIS 63 -7.894 10.988 2.037 481 HA HIS 63 HA HIS 63 -9.188 8.462 1.570 482 1HB HIS 63 2HB HIS 63 -9.757 10.929 0.752 483 2HB HIS 63 1HB HIS 63 -8.779 10.481 -0.643 484 HD1 HIS 63 1HD HIS 63 -10.920 7.998 1.192 485 HD2 HIS 63 2HD HIS 63 -11.003 10.139 -2.381 486 HE1 HIS 63 1HE HIS 63 -12.792 7.020 -0.174 487 H GLY 64 H GLY 64 -6.309 9.980 0.107 488 1HA GLY 64 2HA GLY 64 -5.913 7.948 -1.860 489 2HA GLY 64 1HA GLY 64 -4.644 8.983 -1.212 490 H PHE 65 H PHE 65 -5.056 8.143 1.571 491 HA PHE 65 HA PHE 65 -3.513 5.640 1.447 492 1HB PHE 65 2HB PHE 65 -4.418 7.430 3.714 493 2HB PHE 65 1HB PHE 65 -3.632 5.876 4.004 494 HD1 PHE 65 1HD PHE 65 -3.135 9.334 3.169 495 HD2 PHE 65 2HD PHE 65 -1.357 5.440 2.898 496 HE1 PHE 65 1HE PHE 65 -0.925 10.369 2.750 497 HE2 PHE 65 2HE PHE 65 0.856 6.480 2.473 498 HZ PHE 65 HZ PHE 65 1.066 8.956 2.392 499 H ASP 66 H ASP 66 -6.734 6.725 2.435 500 HA ASP 66 HA ASP 66 -7.576 4.130 3.428 501 1HB ASP 66 2HB ASP 66 -8.629 6.438 3.935 502 2HB ASP 66 1HB ASP 66 -9.419 6.282 2.367 503 H ILE 67 H ILE 67 -8.087 5.931 0.384 504 HA ILE 67 HA ILE 67 -9.635 3.993 -0.964 505 HB ILE 67 HB ILE 67 -7.587 6.002 -1.964 506 1HG1 ILE 67 2HG1 ILE 67 -9.711 6.908 -1.046 507 2HG1 ILE 67 1HG1 ILE 67 -9.591 7.192 -2.779 508 1HG2 ILE 67 1HG2 ILE 67 -9.243 4.035 -3.550 509 2HG2 ILE 67 2HG2 ILE 67 -7.511 4.347 -3.655 510 3HG2 ILE 67 3HG2 ILE 67 -8.660 5.546 -4.247 511 1HD1 ILE 67 1HD1 ILE 67 -11.456 5.430 -1.263 512 2HD1 ILE 67 2HD1 ILE 67 -10.920 4.831 -2.829 513 3HD1 ILE 67 3HD1 ILE 67 -11.742 6.383 -2.715 514 H LEU 68 H LEU 68 -6.102 4.312 -0.721 515 HA LEU 68 HA LEU 68 -5.373 2.102 -2.349 516 1HB LEU 68 2HB LEU 68 -3.644 3.587 -1.668 517 2HB LEU 68 1HB LEU 68 -4.085 3.456 0.029 518 HG LEU 68 HG LEU 68 -3.245 1.164 0.116 519 1HD1 LEU 68 1HD1 LEU 68 -1.929 0.413 -2.028 520 2HD1 LEU 68 2HD1 LEU 68 -2.984 1.551 -2.865 521 3HD1 LEU 68 3HD1 LEU 68 -3.675 0.190 -1.984 522 1HD2 LEU 68 1HD2 LEU 68 -1.329 3.072 -1.256 523 2HD2 LEU 68 2HD2 LEU 68 -0.851 1.631 -0.358 524 3HD2 LEU 68 3HD2 LEU 68 -1.635 2.971 0.478 525 H VAL 69 H VAL 69 -6.120 2.253 1.135 526 HA VAL 69 HA VAL 69 -5.619 -0.473 1.729 527 HB VAL 69 HB VAL 69 -7.494 1.575 2.921 528 1HG1 VAL 69 1HG1 VAL 69 -7.441 -0.073 4.915 529 2HG1 VAL 69 2HG1 VAL 69 -6.987 -1.274 3.708 530 3HG1 VAL 69 3HG1 VAL 69 -8.518 -0.420 3.565 531 1HG2 VAL 69 1HG2 VAL 69 -5.810 1.835 4.596 532 2HG2 VAL 69 2HG2 VAL 69 -4.942 1.813 3.061 533 3HG2 VAL 69 3HG2 VAL 69 -4.971 0.373 4.079 534 H GLY 70 H GLY 70 -8.075 0.986 -0.167 535 1HA GLY 70 2HA GLY 70 -10.090 -1.070 0.309 536 2HA GLY 70 1HA GLY 70 -10.156 0.169 -0.934 537 H GLN 71 H GLN 71 -7.841 -0.345 -2.417 538 HA GLN 71 HA GLN 71 -8.697 -2.716 -3.847 539 1HB GLN 71 2HB GLN 71 -7.267 -2.036 -5.526 540 2HB GLN 71 1HB GLN 71 -7.390 -0.516 -4.654 541 1HG GLN 71 2HG GLN 71 -5.089 -0.694 -4.874 542 2HG GLN 71 1HG GLN 71 -5.302 -1.467 -3.316 543 1HE2 GLN 71 1HE2 GLN 71 -6.560 -3.897 -4.671 544 2HE2 GLN 71 2HE2 GLN 71 -5.248 -4.735 -5.342 545 H ILE 72 H ILE 72 -6.359 -2.019 -1.387 546 HA ILE 72 HA ILE 72 -5.029 -4.610 -1.578 547 HB ILE 72 HB ILE 72 -5.003 -2.293 0.356 548 1HG1 ILE 72 2HG1 ILE 72 -2.737 -3.963 -0.742 549 2HG1 ILE 72 1HG1 ILE 72 -3.435 -2.608 -1.634 550 1HG2 ILE 72 1HG2 ILE 72 -5.199 -4.068 1.946 551 2HG2 ILE 72 2HG2 ILE 72 -3.479 -3.714 1.846 552 3HG2 ILE 72 3HG2 ILE 72 -4.141 -5.122 1.015 553 1HD1 ILE 72 1HD1 ILE 72 -2.961 -1.143 0.349 554 2HD1 ILE 72 2HD1 ILE 72 -1.505 -1.799 -0.396 555 3HD1 ILE 72 3HD1 ILE 72 -2.125 -2.501 1.098 556 H ASP 73 H ASP 73 -7.793 -3.197 0.111 557 HA ASP 73 HA ASP 73 -8.248 -5.364 1.940 558 1HB ASP 73 2HB ASP 73 -9.394 -3.261 2.282 559 2HB ASP 73 1HB ASP 73 -10.183 -3.381 0.706 560 H ASP 74 H ASP 74 -9.842 -4.677 -1.196 561 HA ASP 74 HA ASP 74 -11.268 -7.149 -1.314 562 1HB ASP 74 2HB ASP 74 -11.644 -5.072 -2.750 563 2HB ASP 74 1HB ASP 74 -10.256 -5.589 -3.707 564 H ALA 75 H ALA 75 -7.941 -6.319 -2.149 565 HA ALA 75 HA ALA 75 -7.496 -8.767 -3.638 566 1HB ALA 75 1HB ALA 75 -5.959 -6.988 -4.099 567 2HB ALA 75 2HB ALA 75 -5.031 -8.179 -3.190 568 3HB ALA 75 3HB ALA 75 -5.633 -6.731 -2.386 569 H LEU 76 H LEU 76 -7.370 -7.795 -0.267 570 HA LEU 76 HA LEU 76 -5.875 -9.947 0.780 571 1HB LEU 76 2HB LEU 76 -7.300 -7.779 1.797 572 2HB LEU 76 1HB LEU 76 -8.288 -9.125 2.326 573 HG LEU 76 HG LEU 76 -5.736 -10.011 2.988 574 1HD1 LEU 76 1HD1 LEU 76 -5.063 -7.536 2.369 575 2HD1 LEU 76 2HD1 LEU 76 -4.392 -8.291 3.811 576 3HD1 LEU 76 3HD1 LEU 76 -5.739 -7.161 3.952 577 1HD2 LEU 76 1HD2 LEU 76 -6.358 -9.315 5.334 578 2HD2 LEU 76 2HD2 LEU 76 -7.616 -10.213 4.482 579 3HD2 LEU 76 3HD2 LEU 76 -7.740 -8.460 4.646 580 H LYS 77 H LYS 77 -9.149 -9.604 -0.361 581 HA LYS 77 HA LYS 77 -10.191 -12.120 0.496 582 1HB LYS 77 2HB LYS 77 -11.434 -10.016 -0.328 583 2HB LYS 77 1HB LYS 77 -11.032 -10.565 -1.958 584 1HG LYS 77 2HG LYS 77 -13.116 -11.569 -1.634 585 2HG LYS 77 1HG LYS 77 -12.007 -12.848 -1.144 586 1HD LYS 77 2HD LYS 77 -12.297 -11.559 1.251 587 2HD LYS 77 1HD LYS 77 -13.861 -11.199 0.524 588 1HE LYS 77 2HE LYS 77 -14.026 -13.714 0.016 589 2HE LYS 77 1HE LYS 77 -12.648 -13.912 1.107 590 1HZ LYS 77 1HZ LYS 77 -15.329 -12.811 1.740 591 2HZ LYS 77 2HZ LYS 77 -13.995 -12.636 2.777 592 3HZ LYS 77 3HZ LYS 77 -14.585 -14.184 2.401 593 H LEU 78 H LEU 78 -8.800 -11.003 -2.600 594 HA LEU 78 HA LEU 78 -9.147 -13.429 -4.016 595 1HB LEU 78 2HB LEU 78 -7.398 -11.017 -4.260 596 2HB LEU 78 1HB LEU 78 -6.832 -12.453 -5.129 597 HG LEU 78 HG LEU 78 -9.043 -12.640 -6.237 598 1HD1 LEU 78 1HD1 LEU 78 -10.535 -10.547 -6.020 599 2HD1 LEU 78 2HD1 LEU 78 -9.621 -10.196 -4.553 600 3HD1 LEU 78 3HD1 LEU 78 -10.556 -11.686 -4.673 601 1HD2 LEU 78 1HD2 LEU 78 -8.665 -10.909 -7.808 602 2HD2 LEU 78 2HD2 LEU 78 -7.080 -11.141 -7.073 603 3HD2 LEU 78 3HD2 LEU 78 -8.091 -9.787 -6.575 604 H ALA 79 H ALA 79 -6.695 -12.399 -1.730 605 HA ALA 79 HA ALA 79 -4.888 -14.598 -2.089 606 1HB ALA 79 1HB ALA 79 -5.438 -13.183 0.533 607 2HB ALA 79 2HB ALA 79 -4.529 -12.418 -0.765 608 3HB ALA 79 3HB ALA 79 -3.924 -13.892 -0.017 609 H ASN 80 H ASN 80 -7.560 -14.052 0.220 610 HA ASN 80 HA ASN 80 -7.373 -16.725 1.305 611 1HB ASN 80 2HB ASN 80 -8.397 -14.453 2.294 612 2HB ASN 80 1HB ASN 80 -9.890 -15.136 1.646 613 1HD2 ASN 80 1HD2 ASN 80 -7.002 -16.362 3.421 614 2HD2 ASN 80 2HD2 ASN 80 -7.875 -17.335 4.469 615 H GLU 81 H GLU 81 -8.826 -15.537 -1.570 616 HA GLU 81 HA GLU 81 -10.877 -17.692 -1.594 617 1HB GLU 81 2HB GLU 81 -10.277 -15.350 -3.395 618 2HB GLU 81 1HB GLU 81 -11.362 -16.637 -3.910 619 1HG GLU 81 2HG GLU 81 -11.726 -15.244 -1.253 620 2HG GLU 81 1HG GLU 81 -12.425 -14.592 -2.736 621 H GLY 82 H GLY 82 -7.637 -17.318 -2.498 622 1HA GLY 82 2HA GLY 82 -6.357 -19.182 -3.354 623 2HA GLY 82 1HA GLY 82 -7.811 -19.819 -4.110 624 H LYS 83 H LYS 83 -7.417 -16.454 -4.597 625 HA LYS 83 HA LYS 83 -6.638 -16.982 -7.429 626 1HB LYS 83 2HB LYS 83 -7.384 -14.257 -6.406 627 2HB LYS 83 1HB LYS 83 -7.623 -14.947 -7.999 628 1HG LYS 83 2HG LYS 83 -9.139 -15.640 -5.494 629 2HG LYS 83 1HG LYS 83 -9.760 -14.811 -6.911 630 1HD LYS 83 2HD LYS 83 -9.042 -16.927 -8.226 631 2HD LYS 83 1HD LYS 83 -8.957 -17.708 -6.648 632 1HE LYS 83 2HE LYS 83 -11.165 -18.108 -7.545 633 2HE LYS 83 1HE LYS 83 -11.324 -16.945 -6.230 634 1HZ LYS 83 1HZ LYS 83 -12.587 -16.196 -8.104 635 2HZ LYS 83 2HZ LYS 83 -11.241 -16.336 -9.133 636 3HZ LYS 83 3HZ LYS 83 -11.257 -15.162 -7.903 637 H VAL 84 H VAL 84 -4.461 -17.444 -6.828 638 HA VAL 84 HA VAL 84 -2.755 -15.480 -5.544 639 HB VAL 84 HB VAL 84 -1.996 -17.948 -7.138 640 1HG1 VAL 84 1HG1 VAL 84 0.107 -17.770 -5.810 641 2HG1 VAL 84 2HG1 VAL 84 -0.460 -16.226 -5.174 642 3HG1 VAL 84 3HG1 VAL 84 -0.128 -16.401 -6.896 643 1HG2 VAL 84 1HG2 VAL 84 -3.336 -18.690 -5.326 644 2HG2 VAL 84 2HG2 VAL 84 -2.664 -17.483 -4.233 645 3HG2 VAL 84 3HG2 VAL 84 -1.678 -18.850 -4.749 646 H LYS 85 H LYS 85 -2.642 -16.811 -8.884 647 HA LYS 85 HA LYS 85 -0.849 -14.917 -9.920 648 1HB LYS 85 2HB LYS 85 -3.044 -16.590 -11.070 649 2HB LYS 85 1HB LYS 85 -2.463 -15.270 -12.081 650 1HG LYS 85 2HG LYS 85 -0.304 -16.154 -12.249 651 2HG LYS 85 1HG LYS 85 -0.457 -17.098 -10.768 652 1HD LYS 85 2HD LYS 85 -2.256 -17.745 -13.097 653 2HD LYS 85 1HD LYS 85 -0.581 -18.291 -13.136 654 1HE LYS 85 2HE LYS 85 -2.570 -18.877 -10.920 655 2HE LYS 85 1HE LYS 85 -2.038 -20.017 -12.153 656 1HZ LYS 85 1HZ LYS 85 0.300 -19.414 -11.297 657 2HZ LYS 85 2HZ LYS 85 -0.653 -20.493 -10.396 658 3HZ LYS 85 3HZ LYS 85 -0.513 -18.870 -9.913 659 H GLU 86 H GLU 86 -4.296 -14.603 -9.269 660 HA GLU 86 HA GLU 86 -4.606 -12.020 -10.524 661 1HB GLU 86 2HB GLU 86 -6.189 -13.183 -8.201 662 2HB GLU 86 1HB GLU 86 -6.673 -11.847 -9.244 663 1HG GLU 86 2HG GLU 86 -7.805 -13.831 -10.043 664 2HG GLU 86 1HG GLU 86 -6.571 -13.389 -11.219 665 H ALA 87 H ALA 87 -3.961 -13.137 -7.198 666 HA ALA 87 HA ALA 87 -3.766 -10.476 -6.109 667 1HB ALA 87 1HB ALA 87 -2.905 -11.511 -4.137 668 2HB ALA 87 2HB ALA 87 -2.312 -12.903 -5.044 669 3HB ALA 87 3HB ALA 87 -4.045 -12.674 -4.814 670 H GLN 88 H GLN 88 -1.356 -12.790 -7.260 671 HA GLN 88 HA GLN 88 0.960 -11.219 -6.811 672 1HB GLN 88 2HB GLN 88 1.772 -13.253 -7.428 673 2HB GLN 88 1HB GLN 88 0.212 -13.723 -8.044 674 1HG GLN 88 2HG GLN 88 0.704 -12.909 -10.228 675 2HG GLN 88 1HG GLN 88 2.125 -12.055 -9.650 676 1HE2 GLN 88 1HE2 GLN 88 1.132 -15.428 -8.884 677 2HE2 GLN 88 2HE2 GLN 88 2.514 -16.138 -9.521 678 H ALA 89 H ALA 89 -1.017 -11.580 -9.780 679 HA ALA 89 HA ALA 89 0.386 -9.624 -11.304 680 1HB ALA 89 1HB ALA 89 -1.566 -9.548 -12.734 681 2HB ALA 89 2HB ALA 89 -2.590 -10.193 -11.452 682 3HB ALA 89 3HB ALA 89 -1.363 -11.217 -12.200 683 H ALA 90 H ALA 90 -2.161 -9.353 -8.868 684 HA ALA 90 HA ALA 90 -2.711 -6.550 -9.295 685 1HB ALA 90 1HB ALA 90 -2.908 -8.016 -6.648 686 2HB ALA 90 2HB ALA 90 -4.111 -8.205 -7.924 687 3HB ALA 90 3HB ALA 90 -3.849 -6.625 -7.186 688 H ALA 91 H ALA 91 -0.211 -8.351 -7.672 689 HA ALA 91 HA ALA 91 0.853 -6.351 -5.963 690 1HB ALA 91 1HB ALA 91 1.606 -8.813 -6.231 691 2HB ALA 91 2HB ALA 91 2.865 -7.612 -5.947 692 3HB ALA 91 3HB ALA 91 2.589 -8.230 -7.575 693 H GLU 92 H GLU 92 1.524 -7.061 -9.395 694 HA GLU 92 HA GLU 92 3.311 -4.845 -9.772 695 1HB GLU 92 2HB GLU 92 1.759 -6.689 -11.559 696 2HB GLU 92 1HB GLU 92 2.390 -5.205 -12.273 697 1HG GLU 92 2HG GLU 92 4.625 -5.798 -11.871 698 2HG GLU 92 1HG GLU 92 4.202 -6.947 -10.603 699 H GLN 93 H GLN 93 -0.159 -5.092 -9.538 700 HA GLN 93 HA GLN 93 -0.706 -2.562 -10.867 701 1HB GLN 93 2HB GLN 93 -2.404 -4.461 -10.383 702 2HB GLN 93 1HB GLN 93 -2.424 -3.872 -8.728 703 1HG GLN 93 2HG GLN 93 -2.834 -1.762 -10.798 704 2HG GLN 93 1HG GLN 93 -4.111 -2.966 -10.698 705 1HE2 GLN 93 1HE2 GLN 93 -2.143 -1.725 -7.944 706 2HE2 GLN 93 2HE2 GLN 93 -3.455 -1.034 -7.117 707 H LEU 94 H LEU 94 -0.112 -3.730 -7.593 708 HA LEU 94 HA LEU 94 -0.499 -1.231 -6.268 709 1HB LEU 94 2HB LEU 94 0.935 -3.775 -5.609 710 2HB LEU 94 1HB LEU 94 1.283 -2.356 -4.631 711 HG LEU 94 HG LEU 94 -1.388 -2.189 -4.501 712 1HD1 LEU 94 1HD1 LEU 94 -1.866 -4.020 -6.032 713 2HD1 LEU 94 2HD1 LEU 94 -2.382 -4.474 -4.407 714 3HD1 LEU 94 3HD1 LEU 94 -0.886 -5.121 -5.066 715 1HD2 LEU 94 1HD2 LEU 94 -1.335 -3.292 -2.408 716 2HD2 LEU 94 2HD2 LEU 94 0.283 -2.649 -2.615 717 3HD2 LEU 94 3HD2 LEU 94 -0.033 -4.363 -2.901 718 H LYS 95 H LYS 95 2.414 -2.853 -7.500 719 HA LYS 95 HA LYS 95 4.322 -0.875 -6.948 720 1HB LYS 95 2HB LYS 95 4.082 -2.622 -9.423 721 2HB LYS 95 1HB LYS 95 5.538 -1.749 -8.932 722 1HG LYS 95 2HG LYS 95 5.019 -3.083 -6.613 723 2HG LYS 95 1HG LYS 95 4.311 -4.214 -7.758 724 1HD LYS 95 2HD LYS 95 6.532 -4.947 -7.614 725 2HD LYS 95 1HD LYS 95 6.548 -3.951 -9.067 726 1HE LYS 95 2HE LYS 95 8.288 -2.829 -8.085 727 2HE LYS 95 1HE LYS 95 7.092 -2.114 -7.002 728 1HZ LYS 95 1HZ LYS 95 8.205 -4.779 -6.429 729 2HZ LYS 95 2HZ LYS 95 7.536 -3.640 -5.361 730 3HZ LYS 95 3HZ LYS 95 9.081 -3.385 -6.020 731 H THR 96 H THR 96 2.050 -1.084 -9.685 732 HA THR 96 HA THR 96 2.985 1.361 -10.936 733 HB THR 96 HB THR 96 0.209 0.193 -11.242 734 HG1 THR 96 1HG THR 96 1.985 -1.388 -11.375 735 1HG2 THR 96 1HG2 THR 96 0.975 2.383 -12.348 736 2HG2 THR 96 2HG2 THR 96 0.291 1.153 -13.411 737 3HG2 THR 96 3HG2 THR 96 2.039 1.377 -13.332 738 H THR 97 H THR 97 0.343 0.566 -8.672 739 HA THR 97 HA THR 97 -0.811 3.175 -8.617 740 HB THR 97 HB THR 97 -0.900 0.771 -6.912 741 HG1 THR 97 1HG THR 97 -2.919 0.895 -7.474 742 1HG2 THR 97 1HG2 THR 97 -0.433 2.268 -5.108 743 2HG2 THR 97 2HG2 THR 97 -2.184 2.054 -5.128 744 3HG2 THR 97 3HG2 THR 97 -1.468 3.518 -5.802 745 H ILE 98 H ILE 98 1.861 1.678 -6.807 746 HA ILE 98 HA ILE 98 2.388 3.770 -4.994 747 HB ILE 98 HB ILE 98 4.308 1.922 -6.418 748 1HG1 ILE 98 2HG1 ILE 98 3.249 1.940 -3.568 749 2HG1 ILE 98 1HG1 ILE 98 2.616 0.916 -4.849 750 1HG2 ILE 98 1HG2 ILE 98 4.766 3.943 -4.207 751 2HG2 ILE 98 2HG2 ILE 98 5.630 3.804 -5.738 752 3HG2 ILE 98 3HG2 ILE 98 5.863 2.591 -4.485 753 1HD1 ILE 98 1HD1 ILE 98 5.174 0.202 -5.079 754 2HD1 ILE 98 2HD1 ILE 98 4.129 -0.544 -3.872 755 3HD1 ILE 98 3HD1 ILE 98 5.231 0.749 -3.403 756 H ARG 99 H ARG 99 3.105 3.413 -8.413 757 HA ARG 99 HA ARG 99 4.953 5.522 -8.680 758 1HB ARG 99 2HB ARG 99 4.063 3.743 -10.420 759 2HB ARG 99 1HB ARG 99 2.916 5.010 -10.838 760 1HG ARG 99 2HG ARG 99 4.664 5.528 -12.295 761 2HG ARG 99 1HG ARG 99 5.088 6.538 -10.912 762 1HD ARG 99 2HD ARG 99 6.664 4.851 -10.115 763 2HD ARG 99 1HD ARG 99 6.178 3.743 -11.398 764 HE ARG 99 HE ARG 99 7.940 6.070 -11.700 765 1HH1 ARG 99 1HH2 ARG 99 5.834 3.764 -13.167 766 2HH1 ARG 99 2HH2 ARG 99 6.528 3.940 -14.744 767 1HH2 ARG 99 1HH1 ARG 99 8.853 6.311 -13.752 768 2HH2 ARG 99 2HH1 ARG 99 8.235 5.379 -15.075 769 H ALA 100 H ALA 100 1.387 5.603 -9.075 770 HA ALA 100 HA ALA 100 1.247 8.440 -9.500 771 1HB ALA 100 1HB ALA 100 -1.146 8.198 -8.893 772 2HB ALA 100 2HB ALA 100 -0.825 6.565 -8.310 773 3HB ALA 100 3HB ALA 100 -0.641 6.941 -10.022 774 H TYR 101 H TYR 101 1.302 6.444 -6.596 775 HA TYR 101 HA TYR 101 0.670 8.581 -4.765 776 1HB TYR 101 2HB TYR 101 0.427 6.405 -3.888 777 2HB TYR 101 1HB TYR 101 1.958 5.888 -4.537 778 HD1 TYR 101 1HD TYR 101 4.109 6.851 -3.573 779 HD2 TYR 101 2HD TYR 101 0.286 7.191 -1.647 780 HE1 TYR 101 1HE TYR 101 5.232 7.301 -1.426 781 HE2 TYR 101 2HE TYR 101 1.421 7.641 0.508 782 HH TYR 101 HH TYR 101 4.523 6.967 1.131 783 H ASN 102 H ASN 102 3.533 7.536 -6.460 784 HA ASN 102 HA ASN 102 5.407 8.861 -4.763 785 1HB ASN 102 2HB ASN 102 6.713 7.554 -6.053 786 2HB ASN 102 1HB ASN 102 5.528 7.494 -7.348 787 1HD2 ASN 102 1HD2 ASN 102 7.184 10.421 -6.030 788 2HD2 ASN 102 2HD2 ASN 102 7.961 10.817 -7.489 789 H GLN 103 H GLN 103 3.449 10.097 -7.500 790 HA GLN 103 HA GLN 103 4.932 12.589 -7.577 791 1HB GLN 103 2HB GLN 103 3.214 13.475 -8.947 792 2HB GLN 103 1HB GLN 103 3.187 11.758 -9.331 793 1HG GLN 103 2HG GLN 103 0.912 12.262 -9.011 794 2HG GLN 103 1HG GLN 103 1.397 11.602 -7.458 795 1HE2 GLN 103 1HE2 GLN 103 1.056 12.846 -5.662 796 2HE2 GLN 103 2HE2 GLN 103 0.660 14.496 -5.674 797 H LYS 104 H LYS 104 2.698 11.076 -5.518 798 HA LYS 104 HA LYS 104 1.961 13.510 -4.039 799 1HB LYS 104 2HB LYS 104 0.265 12.133 -3.409 800 2HB LYS 104 1HB LYS 104 1.070 10.758 -4.129 801 1HG LYS 104 2HG LYS 104 2.317 10.355 -2.084 802 2HG LYS 104 1HG LYS 104 1.676 11.829 -1.372 803 1HD LYS 104 2HD LYS 104 -0.206 9.700 -2.359 804 2HD LYS 104 1HD LYS 104 0.553 9.566 -0.784 805 1HE LYS 104 2HE LYS 104 -0.776 11.186 0.131 806 2HE LYS 104 1HE LYS 104 -0.630 12.230 -1.281 807 1HZ LYS 104 1HZ LYS 104 -2.165 10.642 -2.429 808 2HZ LYS 104 2HZ LYS 104 -2.863 11.539 -1.167 809 3HZ LYS 104 3HZ LYS 104 -2.439 9.913 -0.923 810 H TYR 105 H TYR 105 4.370 10.918 -3.858 811 HA TYR 105 HA TYR 105 5.452 12.088 -1.362 812 1HB TYR 105 2HB TYR 105 5.879 9.912 -0.888 813 2HB TYR 105 1HB TYR 105 5.432 9.437 -2.516 814 HD1 TYR 105 1HD TYR 105 7.257 10.134 -4.342 815 HD2 TYR 105 2HD TYR 105 8.068 9.410 -0.203 816 HE1 TYR 105 1HE TYR 105 9.624 9.628 -4.906 817 HE2 TYR 105 2HE TYR 105 10.437 8.916 -0.748 818 HH TYR 105 HH TYR 105 11.741 9.480 -3.942 819 H GLY 106 H GLY 106 5.617 12.822 -4.498 820 1HA GLY 106 2HA GLY 106 8.527 13.172 -4.740 821 2HA GLY 106 1HA GLY 106 7.318 13.680 -5.920
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