NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505099 | 2eon | 10220 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -1.825 -0.684 -15.333 2 HA2 GLY 1 1HA GLY 1 -3.348 -0.950 -13.008 3 HA3 GLY 1 2HA GLY 1 -3.693 0.639 -13.676 4 H SER 2 H SER 2 -4.246 -2.734 -13.925 5 HA SER 2 HA SER 2 -6.267 -2.246 -15.968 6 HB2 SER 2 1HB SER 2 -4.120 -2.976 -17.110 7 HB3 SER 2 2HB SER 2 -4.306 -4.524 -16.286 8 HG SER 2 HG SER 2 -6.400 -4.654 -17.309 9 H SER 3 H SER 3 -8.042 -3.539 -15.785 10 HA SER 3 HA SER 3 -7.960 -5.886 -14.067 11 HB2 SER 3 1HB SER 3 -8.442 -4.256 -12.400 12 HB3 SER 3 2HB SER 3 -9.591 -3.421 -13.446 13 HG SER 3 HG SER 3 -10.451 -4.892 -11.752 14 H GLY 4 H GLY 4 -9.639 -7.340 -14.430 15 HA2 GLY 4 1HA GLY 4 -11.742 -7.974 -15.363 16 HA3 GLY 4 2HA GLY 4 -11.643 -6.593 -16.445 17 H SER 5 H SER 5 -9.473 -6.748 -17.830 18 HA SER 5 HA SER 5 -9.781 -9.188 -19.358 19 HB2 SER 5 1HB SER 5 -8.202 -8.063 -20.947 20 HB3 SER 5 2HB SER 5 -9.654 -7.123 -20.604 21 HG SER 5 HG SER 5 -7.151 -6.766 -19.313 22 H SER 6 H SER 6 -7.238 -7.543 -17.527 23 HA SER 6 HA SER 6 -5.357 -9.696 -18.000 24 HB2 SER 6 1HB SER 6 -3.835 -8.344 -16.573 25 HB3 SER 6 2HB SER 6 -4.495 -7.422 -17.924 26 HG SER 6 HG SER 6 -4.655 -6.877 -15.332 27 H GLY 7 H GLY 7 -5.238 -11.467 -16.797 28 HA2 GLY 7 1HA GLY 7 -5.221 -12.817 -14.921 29 HA3 GLY 7 2HA GLY 7 -5.517 -11.389 -13.941 30 H THR 8 H THR 8 -6.900 -14.131 -15.473 31 HA THR 8 HA THR 8 -9.624 -13.369 -15.398 32 HB THR 8 HB THR 8 -8.989 -15.233 -16.773 33 HG1 THR 8 HG1 THR 8 -10.946 -15.869 -16.275 34 HG21 THR 8 3HG2 THR 8 -7.930 -16.375 -14.207 35 HG22 THR 8 1HG2 THR 8 -7.109 -16.182 -15.755 36 HG23 THR 8 2HG2 THR 8 -8.353 -17.418 -15.564 37 H GLY 9 H GLY 9 -7.431 -14.113 -12.927 38 HA2 GLY 9 1HA GLY 9 -9.574 -14.922 -11.081 39 HA3 GLY 9 2HA GLY 9 -7.850 -15.111 -10.791 40 H GLU 10 H GLU 10 -10.586 -13.178 -10.274 41 HA GLU 10 HA GLU 10 -9.334 -10.673 -9.832 42 HB2 GLU 10 1HB GLU 10 -11.434 -10.159 -8.539 43 HB3 GLU 10 2HB GLU 10 -11.686 -10.687 -10.197 44 HG2 GLU 10 1HG GLU 10 -11.740 -12.741 -8.057 45 HG3 GLU 10 2HG GLU 10 -13.110 -11.640 -8.193 46 H LYS 11 H LYS 11 -8.126 -9.994 -8.194 47 HA LYS 11 HA LYS 11 -7.448 -11.733 -6.040 48 HB2 LYS 11 1HB LYS 11 -6.809 -8.817 -6.516 49 HB3 LYS 11 2HB LYS 11 -6.113 -9.788 -5.226 50 HG2 LYS 11 1HG LYS 11 -4.764 -10.958 -6.641 51 HG3 LYS 11 2HG LYS 11 -5.866 -10.789 -8.009 52 HD2 LYS 11 1HD LYS 11 -5.209 -8.509 -8.339 53 HD3 LYS 11 2HD LYS 11 -4.267 -8.513 -6.846 54 HE2 LYS 11 1HE LYS 11 -2.697 -8.754 -8.584 55 HE3 LYS 11 2HE LYS 11 -2.886 -10.365 -7.893 56 HZ1 LYS 11 3HZ LYS 11 -4.603 -10.695 -9.733 57 HZ2 LYS 11 1HZ LYS 11 -2.969 -10.707 -10.174 58 HZ3 LYS 11 2HZ LYS 11 -3.913 -9.334 -10.462 59 HA PRO 12 HA PRO 12 -10.402 -10.623 -2.986 60 HB2 PRO 12 1HB PRO 12 -8.926 -10.900 -0.724 61 HB3 PRO 12 2HB PRO 12 -9.487 -12.277 -1.680 62 HG2 PRO 12 1HG PRO 12 -6.801 -10.956 -1.657 63 HG3 PRO 12 2HG PRO 12 -7.198 -12.684 -1.688 64 HD2 PRO 12 1HD PRO 12 -6.469 -11.317 -3.909 65 HD3 PRO 12 2HD PRO 12 -7.608 -12.678 -3.956 66 H TYR 13 H TYR 13 -7.276 -8.998 -2.919 67 HA TYR 13 HA TYR 13 -8.492 -6.731 -1.498 68 HB2 TYR 13 1HB TYR 13 -5.555 -6.922 -2.037 69 HB3 TYR 13 2HB TYR 13 -6.396 -6.155 -0.694 70 HD1 TYR 13 HD2 TYR 13 -8.162 -8.452 0.112 71 HD2 TYR 13 HD1 TYR 13 -4.031 -8.307 -0.897 72 HE1 TYR 13 HE2 TYR 13 -7.759 -10.439 1.504 73 HE2 TYR 13 HE1 TYR 13 -3.616 -10.294 0.492 74 HH TYR 13 HH TYR 13 -6.251 -11.861 2.291 75 H LYS 14 H LYS 14 -8.520 -4.700 -2.368 76 HA LYS 14 HA LYS 14 -7.177 -4.131 -4.864 77 HB2 LYS 14 1HB LYS 14 -9.132 -5.191 -5.759 78 HB3 LYS 14 2HB LYS 14 -10.186 -4.284 -4.682 79 HG2 LYS 14 1HG LYS 14 -9.095 -2.226 -5.929 80 HG3 LYS 14 2HG LYS 14 -8.848 -3.437 -7.189 81 HD2 LYS 14 1HD LYS 14 -11.347 -4.000 -6.795 82 HD3 LYS 14 2HD LYS 14 -11.411 -2.414 -6.022 83 HE2 LYS 14 1HE LYS 14 -10.998 -1.291 -7.987 84 HE3 LYS 14 2HE LYS 14 -10.164 -2.661 -8.719 85 HZ1 LYS 14 3HZ LYS 14 -12.556 -3.707 -8.521 86 HZ2 LYS 14 1HZ LYS 14 -12.117 -2.748 -9.844 87 HZ3 LYS 14 2HZ LYS 14 -13.026 -2.083 -8.582 88 H CYS 15 H CYS 15 -6.661 -2.026 -5.009 89 HA CYS 15 HA CYS 15 -6.976 -0.294 -2.850 90 HB2 CYS 15 1HB CYS 15 -5.371 -0.258 -4.963 91 HB3 CYS 15 2HB CYS 15 -6.594 0.847 -5.581 92 H GLN 16 H GLN 16 -7.877 2.061 -3.309 93 HA GLN 16 HA GLN 16 -10.589 1.806 -4.423 94 HB2 GLN 16 1HB GLN 16 -9.916 3.349 -1.917 95 HB3 GLN 16 2HB GLN 16 -11.514 3.041 -2.582 96 HG2 GLN 16 1HG GLN 16 -9.673 0.886 -1.579 97 HG3 GLN 16 2HG GLN 16 -10.917 1.659 -0.599 98 HE21 GLN 16 1HE2 GLN 16 -10.659 -1.126 -1.353 99 HE22 GLN 16 2HE2 GLN 16 -12.102 -1.538 -2.208 100 H VAL 17 H VAL 17 -7.788 3.784 -3.808 101 HA VAL 17 HA VAL 17 -8.906 6.208 -4.849 102 HB VAL 17 HB VAL 17 -6.500 6.967 -4.907 103 HG11 VAL 17 1HG1 VAL 17 -6.272 6.849 -2.369 104 HG12 VAL 17 2HG1 VAL 17 -7.745 7.579 -3.013 105 HG13 VAL 17 3HG1 VAL 17 -7.775 5.927 -2.394 106 HG21 VAL 17 3HG2 VAL 17 -5.549 4.687 -5.210 107 HG22 VAL 17 1HG2 VAL 17 -4.809 5.597 -3.892 108 HG23 VAL 17 2HG2 VAL 17 -5.984 4.329 -3.539 109 H CYS 18 H CYS 18 -6.888 3.608 -6.126 110 HA CYS 18 HA CYS 18 -7.143 4.808 -8.805 111 HB2 CYS 18 1HB CYS 18 -5.094 3.666 -9.427 112 HB3 CYS 18 2HB CYS 18 -4.811 4.632 -7.982 113 H GLY 19 H GLY 19 -7.575 1.956 -6.849 114 HA2 GLY 19 1HA GLY 19 -9.202 0.305 -7.317 115 HA3 GLY 19 2HA GLY 19 -9.151 0.769 -9.011 116 H LYS 20 H LYS 20 -6.163 0.305 -7.345 117 HA LYS 20 HA LYS 20 -5.315 -1.705 -9.152 118 HB2 LYS 20 1HB LYS 20 -4.185 -0.414 -6.714 119 HB3 LYS 20 2HB LYS 20 -3.462 -1.921 -7.259 120 HG2 LYS 20 1HG LYS 20 -3.858 0.402 -9.113 121 HG3 LYS 20 2HG LYS 20 -2.430 0.254 -8.086 122 HD2 LYS 20 1HD LYS 20 -3.212 -2.092 -9.735 123 HD3 LYS 20 2HD LYS 20 -2.488 -0.708 -10.557 124 HE2 LYS 20 1HE LYS 20 -1.268 -2.052 -8.152 125 HE3 LYS 20 2HE LYS 20 -0.873 -2.484 -9.814 126 HZ1 LYS 20 3HZ LYS 20 0.649 -0.843 -8.680 127 HZ2 LYS 20 1HZ LYS 20 -0.608 0.284 -8.800 128 HZ3 LYS 20 2HZ LYS 20 0.064 -0.385 -10.201 129 H ALA 21 H ALA 21 -4.257 -3.782 -8.215 130 HA ALA 21 HA ALA 21 -5.807 -4.990 -6.069 131 HB1 ALA 21 3HB ALA 21 -6.582 -6.853 -7.365 132 HB2 ALA 21 1HB ALA 21 -7.116 -5.366 -8.149 133 HB3 ALA 21 2HB ALA 21 -5.743 -6.264 -8.800 134 H PHE 22 H PHE 22 -4.741 -6.620 -5.021 135 HA PHE 22 HA PHE 22 -2.307 -7.722 -6.183 136 HB2 PHE 22 1HB PHE 22 -2.184 -6.552 -3.414 137 HB3 PHE 22 2HB PHE 22 -0.855 -7.042 -4.459 138 HD1 PHE 22 HD2 PHE 22 -3.664 -4.598 -4.324 139 HD2 PHE 22 HD1 PHE 22 0.304 -5.428 -5.620 140 HE1 PHE 22 HE2 PHE 22 -3.442 -2.280 -5.117 141 HE2 PHE 22 HE1 PHE 22 0.533 -3.111 -6.415 142 HZ PHE 22 HZ PHE 22 -1.342 -1.534 -6.165 143 H ARG 23 H ARG 23 -2.755 -9.827 -6.073 144 HA ARG 23 HA ARG 23 -4.512 -11.182 -4.521 145 HB2 ARG 23 1HB ARG 23 -2.926 -13.167 -4.737 146 HB3 ARG 23 2HB ARG 23 -3.431 -12.390 -6.232 147 HG2 ARG 23 1HG ARG 23 -1.348 -11.423 -6.581 148 HG3 ARG 23 2HG ARG 23 -0.872 -11.612 -4.892 149 HD2 ARG 23 1HD ARG 23 0.320 -13.326 -5.804 150 HD3 ARG 23 2HD ARG 23 -1.189 -14.174 -5.472 151 HE ARG 23 HE ARG 23 -1.484 -13.196 -8.008 152 HH11 ARG 23 1HH1 ARG 23 0.826 -15.241 -6.395 153 HH12 ARG 23 2HH1 ARG 23 1.213 -16.148 -7.820 154 HH21 ARG 23 1HH2 ARG 23 -0.982 -14.382 -9.890 155 HH22 ARG 23 2HH2 ARG 23 0.185 -15.657 -9.807 156 H VAL 24 H VAL 24 -1.466 -9.867 -3.518 157 HA VAL 24 HA VAL 24 -1.744 -11.161 -0.888 158 HB VAL 24 HB VAL 24 0.565 -10.843 -0.509 159 HG11 VAL 24 1HG1 VAL 24 -0.315 -12.072 -2.981 160 HG12 VAL 24 2HG1 VAL 24 1.368 -11.550 -3.064 161 HG13 VAL 24 3HG1 VAL 24 0.847 -12.647 -1.786 162 HG21 VAL 24 3HG2 VAL 24 0.735 -9.199 -3.030 163 HG22 VAL 24 1HG2 VAL 24 0.634 -8.520 -1.406 164 HG23 VAL 24 2HG2 VAL 24 2.023 -9.504 -1.865 165 H SER 25 H SER 25 -1.102 -9.818 0.993 166 HA SER 25 HA SER 25 -2.375 -7.210 0.791 167 HB2 SER 25 1HB SER 25 -3.076 -8.614 2.635 168 HB3 SER 25 2HB SER 25 -1.408 -8.805 3.175 169 HG SER 25 HG SER 25 -1.388 -6.755 3.893 170 H SER 26 H SER 26 0.757 -8.607 1.619 171 HA SER 26 HA SER 26 2.080 -6.387 2.585 172 HB2 SER 26 1HB SER 26 4.161 -7.457 1.695 173 HB3 SER 26 2HB SER 26 3.134 -8.562 2.607 174 HG SER 26 HG SER 26 3.847 -8.608 -0.038 175 H HIS 27 H HIS 27 2.113 -7.497 -0.807 176 HA HIS 27 HA HIS 27 3.449 -5.338 -1.907 177 HB2 HIS 27 1HB HIS 27 1.419 -7.255 -3.012 178 HB3 HIS 27 2HB HIS 27 2.030 -5.937 -4.008 179 HD2 HIS 27 HD2 HIS 27 4.581 -7.714 -1.687 180 HE1 HIS 27 HE1 HIS 27 5.285 -9.010 -5.665 181 HE2 HIS 27 HE2 HIS 27 6.082 -9.095 -3.277 182 H LEU 28 H LEU 28 -0.089 -5.799 -1.789 183 HA LEU 28 HA LEU 28 -0.950 -3.460 -2.875 184 HB2 LEU 28 1HB LEU 28 -2.600 -4.981 -2.254 185 HB3 LEU 28 2HB LEU 28 -2.007 -5.091 -0.598 186 HG LEU 28 HG LEU 28 -2.906 -2.890 -0.103 187 HD11 LEU 28 1HD1 LEU 28 -3.456 -2.868 -3.036 188 HD12 LEU 28 2HD1 LEU 28 -2.775 -1.606 -2.009 189 HD13 LEU 28 3HD1 LEU 28 -4.501 -1.963 -1.941 190 HD21 LEU 28 3HD2 LEU 28 -4.969 -4.600 -1.486 191 HD22 LEU 28 1HD2 LEU 28 -5.256 -3.421 -0.206 192 HD23 LEU 28 2HD2 LEU 28 -4.341 -4.889 0.137 193 H VAL 29 H VAL 29 0.259 -3.937 0.407 194 HA VAL 29 HA VAL 29 -0.350 -1.393 1.426 195 HB VAL 29 HB VAL 29 1.910 -3.255 2.167 196 HG11 VAL 29 1HG1 VAL 29 0.826 -0.828 3.589 197 HG12 VAL 29 2HG1 VAL 29 1.930 -2.001 4.309 198 HG13 VAL 29 3HG1 VAL 29 2.446 -1.036 2.925 199 HG21 VAL 29 3HG2 VAL 29 -0.013 -3.217 4.176 200 HG22 VAL 29 1HG2 VAL 29 -0.935 -3.273 2.674 201 HG23 VAL 29 2HG2 VAL 29 0.275 -4.511 3.012 202 H GLN 30 H GLN 30 2.776 -2.603 0.196 203 HA GLN 30 HA GLN 30 4.196 -0.241 0.297 204 HB2 GLN 30 1HB GLN 30 4.402 -2.422 -1.786 205 HB3 GLN 30 2HB GLN 30 5.622 -1.193 -1.481 206 HG2 GLN 30 1HG GLN 30 4.771 -3.451 0.300 207 HG3 GLN 30 2HG GLN 30 6.362 -3.136 -0.390 208 HE21 GLN 30 1HE2 GLN 30 4.029 -2.128 2.008 209 HE22 GLN 30 2HE2 GLN 30 5.140 -1.262 3.007 210 H HIS 31 H HIS 31 1.694 -1.182 -1.900 211 HA HIS 31 HA HIS 31 2.313 0.841 -3.864 212 HB2 HIS 31 1HB HIS 31 1.261 -0.894 -4.932 213 HB3 HIS 31 2HB HIS 31 0.247 -1.277 -3.544 214 HD1 HIS 31 HD1 HIS 31 0.484 1.226 -6.372 215 HD2 HIS 31 HD2 HIS 31 -2.287 -0.251 -3.651 216 HE1 HIS 31 HE1 HIS 31 -1.728 2.198 -7.070 217 H HIS 32 H HIS 32 0.397 0.570 -0.997 218 HA HIS 32 HA HIS 32 -1.423 2.679 -1.504 219 HB2 HIS 32 1HB HIS 32 -0.505 1.214 0.938 220 HB3 HIS 32 2HB HIS 32 -1.440 2.695 1.131 221 HD2 HIS 32 HD2 HIS 32 -2.258 -0.805 1.295 222 HE1 HIS 32 HE1 HIS 32 -5.478 0.783 -0.965 223 HE2 HIS 32 HE2 HIS 32 -4.678 -1.143 0.447 224 H SER 33 H SER 33 1.854 2.780 -1.222 225 HA SER 33 HA SER 33 1.834 5.490 -0.066 226 HB2 SER 33 1HB SER 33 4.178 3.588 -0.297 227 HB3 SER 33 2HB SER 33 4.177 5.157 0.508 228 HG SER 33 HG SER 33 3.866 3.172 1.839 229 H VAL 34 H VAL 34 1.676 4.102 -2.944 230 HA VAL 34 HA VAL 34 3.793 5.498 -4.327 231 HB VAL 34 HB VAL 34 2.976 4.515 -6.330 232 HG11 VAL 34 1HG1 VAL 34 3.007 2.789 -3.912 233 HG12 VAL 34 2HG1 VAL 34 2.487 2.071 -5.438 234 HG13 VAL 34 3HG1 VAL 34 4.086 2.804 -5.307 235 HG21 VAL 34 3HG2 VAL 34 0.758 3.074 -5.992 236 HG22 VAL 34 1HG2 VAL 34 0.430 4.355 -4.824 237 HG23 VAL 34 2HG2 VAL 34 0.724 4.758 -6.515 238 H HIS 35 H HIS 35 0.363 5.916 -3.725 239 HA HIS 35 HA HIS 35 0.004 8.043 -5.599 240 HB2 HIS 35 1HB HIS 35 -1.720 7.514 -3.182 241 HB3 HIS 35 2HB HIS 35 -2.188 8.258 -4.708 242 HD1 HIS 35 HD1 HIS 35 -1.627 6.379 -6.822 243 HD2 HIS 35 HD2 HIS 35 -2.714 5.019 -3.050 244 HE1 HIS 35 HE1 HIS 35 -2.489 4.042 -7.172 245 H SER 36 H SER 36 0.551 7.876 -2.102 246 HA SER 36 HA SER 36 0.212 10.421 -1.272 247 HB2 SER 36 1HB SER 36 2.520 8.582 -0.609 248 HB3 SER 36 2HB SER 36 2.164 10.066 0.274 249 HG SER 36 HG SER 36 -0.084 8.919 0.311 250 H GLY 37 H GLY 37 3.134 9.220 -2.915 251 HA2 GLY 37 1HA GLY 37 4.260 11.881 -3.063 252 HA3 GLY 37 2HA GLY 37 4.960 10.410 -3.724 253 H GLU 38 H GLU 38 2.352 12.760 -4.250 254 HA GLU 38 HA GLU 38 1.401 12.119 -6.686 255 HB2 GLU 38 1HB GLU 38 0.678 14.111 -5.486 256 HB3 GLU 38 2HB GLU 38 2.227 14.885 -5.789 257 HG2 GLU 38 1HG GLU 38 1.733 15.352 -7.959 258 HG3 GLU 38 2HG GLU 38 0.659 13.966 -8.130 259 H ARG 39 H ARG 39 2.286 11.580 -8.557 260 HA ARG 39 HA ARG 39 4.986 12.542 -9.184 261 HB2 ARG 39 1HB ARG 39 3.385 10.182 -10.158 262 HB3 ARG 39 2HB ARG 39 4.866 10.702 -10.951 263 HG2 ARG 39 1HG ARG 39 4.920 10.211 -8.019 264 HG3 ARG 39 2HG ARG 39 4.887 8.829 -9.116 265 HD2 ARG 39 1HD ARG 39 6.928 9.398 -10.087 266 HD3 ARG 39 2HD ARG 39 6.842 11.063 -9.514 267 HE ARG 39 HE ARG 39 7.844 10.394 -7.576 268 HH11 ARG 39 1HH1 ARG 39 6.514 7.600 -9.171 269 HH12 ARG 39 2HH1 ARG 39 7.204 6.471 -8.052 270 HH21 ARG 39 1HH2 ARG 39 8.757 8.918 -6.096 271 HH22 ARG 39 2HH2 ARG 39 8.479 7.222 -6.303 272 HA PRO 40 HA PRO 40 3.585 15.141 -12.435 273 HB2 PRO 40 1HB PRO 40 5.689 14.986 -14.144 274 HB3 PRO 40 2HB PRO 40 5.757 15.870 -12.614 275 HG2 PRO 40 1HG PRO 40 6.762 13.125 -13.263 276 HG3 PRO 40 2HG PRO 40 7.541 14.408 -12.317 277 HD2 PRO 40 1HD PRO 40 6.268 12.316 -11.163 278 HD3 PRO 40 2HD PRO 40 6.316 13.929 -10.424 279 H SER 41 H SER 41 1.815 13.875 -13.178 280 HA SER 41 HA SER 41 2.146 12.904 -15.857 281 HB2 SER 41 1HB SER 41 1.380 10.960 -13.668 282 HB3 SER 41 2HB SER 41 1.193 10.640 -15.392 283 HG SER 41 HG SER 41 3.139 9.802 -14.917 284 H GLY 42 H GLY 42 -0.066 11.908 -16.607 285 HA2 GLY 42 1HA GLY 42 -2.409 12.003 -16.612 286 HA3 GLY 42 2HA GLY 42 -2.347 13.062 -15.211 287 HA PRO 43 HA PRO 43 -3.538 15.697 -18.788 288 HB2 PRO 43 1HB PRO 43 -5.299 17.199 -17.369 289 HB3 PRO 43 2HB PRO 43 -5.732 15.654 -18.110 290 HG2 PRO 43 1HG PRO 43 -5.003 16.254 -15.269 291 HG3 PRO 43 2HG PRO 43 -6.296 15.215 -15.896 292 HD2 PRO 43 1HD PRO 43 -3.945 14.227 -14.984 293 HD3 PRO 43 2HD PRO 43 -4.859 13.457 -16.297 294 H SER 44 H SER 44 -2.161 16.210 -15.690 295 HA SER 44 HA SER 44 -1.903 18.897 -15.378 296 HB2 SER 44 1HB SER 44 0.332 16.882 -15.032 297 HB3 SER 44 2HB SER 44 0.255 18.477 -14.284 298 HG SER 44 HG SER 44 -1.215 16.164 -13.717 299 H SER 45 H SER 45 -0.612 20.540 -16.154 300 HA SER 45 HA SER 45 0.168 20.349 -18.884 301 HB2 SER 45 1HB SER 45 -0.690 22.446 -18.029 302 HB3 SER 45 2HB SER 45 0.605 22.533 -16.835 303 HG SER 45 HG SER 45 2.045 22.509 -18.750 304 H GLY 46 H GLY 46 1.850 19.017 -19.309 305 HA2 GLY 46 1HA GLY 46 4.410 19.629 -19.357 306 HA3 GLY 46 2HA GLY 46 4.262 19.189 -17.662 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -2.283 -8.005 -33.494 2 HA2 GLY 1 1HA GLY 1 -0.558 -6.597 -32.927 3 HA3 GLY 1 2HA GLY 1 -1.831 -5.527 -32.360 4 H SER 2 H SER 2 -0.645 -4.754 -30.621 5 HA SER 2 HA SER 2 0.644 -6.447 -28.738 6 HB2 SER 2 1HB SER 2 1.362 -4.148 -28.968 7 HB3 SER 2 2HB SER 2 -0.245 -3.560 -28.541 8 HG SER 2 HG SER 2 0.054 -4.440 -26.467 9 H SER 3 H SER 3 -0.567 -7.934 -27.717 10 HA SER 3 HA SER 3 -3.261 -7.658 -26.993 11 HB2 SER 3 1HB SER 3 -2.340 -9.859 -27.139 12 HB3 SER 3 2HB SER 3 -1.086 -9.483 -25.957 13 HG SER 3 HG SER 3 -3.864 -9.473 -25.385 14 H GLY 4 H GLY 4 -4.232 -7.412 -24.914 15 HA2 GLY 4 1HA GLY 4 -2.807 -5.466 -23.269 16 HA3 GLY 4 2HA GLY 4 -4.523 -5.834 -23.193 17 H SER 5 H SER 5 -3.843 -5.712 -20.827 18 HA SER 5 HA SER 5 -2.370 -7.902 -19.737 19 HB2 SER 5 1HB SER 5 -3.048 -7.033 -17.568 20 HB3 SER 5 2HB SER 5 -2.565 -5.694 -18.609 21 HG SER 5 HG SER 5 -4.809 -5.361 -19.039 22 H SER 6 H SER 6 -3.432 -9.265 -17.952 23 HA SER 6 HA SER 6 -6.186 -10.010 -18.493 24 HB2 SER 6 1HB SER 6 -5.780 -12.244 -19.143 25 HB3 SER 6 2HB SER 6 -4.642 -11.294 -20.099 26 HG SER 6 HG SER 6 -4.071 -12.693 -17.695 27 H GLY 7 H GLY 7 -6.960 -11.693 -16.957 28 HA2 GLY 7 1HA GLY 7 -5.606 -12.658 -14.764 29 HA3 GLY 7 2HA GLY 7 -6.110 -11.037 -14.309 30 H THR 8 H THR 8 -7.166 -14.267 -15.081 31 HA THR 8 HA THR 8 -9.965 -13.728 -14.866 32 HB THR 8 HB THR 8 -9.193 -15.657 -16.137 33 HG1 THR 8 HG1 THR 8 -10.474 -16.840 -13.934 34 HG21 THR 8 3HG2 THR 8 -7.228 -16.101 -14.583 35 HG22 THR 8 1HG2 THR 8 -8.088 -17.518 -15.184 36 HG23 THR 8 2HG2 THR 8 -8.374 -16.945 -13.541 37 H GLY 9 H GLY 9 -7.525 -15.105 -12.681 38 HA2 GLY 9 1HA GLY 9 -9.334 -15.603 -10.546 39 HA3 GLY 9 2HA GLY 9 -7.582 -15.532 -10.422 40 H GLU 10 H GLU 10 -10.546 -13.867 -9.926 41 HA GLU 10 HA GLU 10 -9.613 -11.232 -9.666 42 HB2 GLU 10 1HB GLU 10 -11.651 -10.841 -8.338 43 HB3 GLU 10 2HB GLU 10 -11.986 -11.738 -9.812 44 HG2 GLU 10 1HG GLU 10 -11.513 -13.207 -7.260 45 HG3 GLU 10 2HG GLU 10 -13.078 -12.456 -7.569 46 H LYS 11 H LYS 11 -8.602 -10.152 -8.074 47 HA LYS 11 HA LYS 11 -7.489 -11.687 -5.889 48 HB2 LYS 11 1HB LYS 11 -7.108 -8.844 -6.822 49 HB3 LYS 11 2HB LYS 11 -6.346 -9.475 -5.367 50 HG2 LYS 11 1HG LYS 11 -4.884 -10.779 -6.527 51 HG3 LYS 11 2HG LYS 11 -5.984 -10.993 -7.891 52 HD2 LYS 11 1HD LYS 11 -5.599 -8.481 -8.316 53 HD3 LYS 11 2HD LYS 11 -4.205 -8.664 -7.249 54 HE2 LYS 11 1HE LYS 11 -3.217 -9.075 -9.269 55 HE3 LYS 11 2HE LYS 11 -3.696 -10.712 -8.825 56 HZ1 LYS 11 3HZ LYS 11 -4.751 -8.969 -10.908 57 HZ2 LYS 11 1HZ LYS 11 -5.872 -9.945 -10.100 58 HZ3 LYS 11 2HZ LYS 11 -4.557 -10.649 -10.898 59 HA PRO 12 HA PRO 12 -10.426 -10.519 -2.827 60 HB2 PRO 12 1HB PRO 12 -8.881 -10.790 -0.611 61 HB3 PRO 12 2HB PRO 12 -9.503 -12.171 -1.523 62 HG2 PRO 12 1HG PRO 12 -6.791 -10.907 -1.613 63 HG3 PRO 12 2HG PRO 12 -7.224 -12.627 -1.601 64 HD2 PRO 12 1HD PRO 12 -6.542 -11.312 -3.868 65 HD3 PRO 12 2HD PRO 12 -7.710 -12.649 -3.854 66 H TYR 13 H TYR 13 -7.290 -8.939 -2.956 67 HA TYR 13 HA TYR 13 -8.395 -6.634 -1.502 68 HB2 TYR 13 1HB TYR 13 -5.489 -6.899 -2.176 69 HB3 TYR 13 2HB TYR 13 -6.247 -6.071 -0.821 70 HD1 TYR 13 HD2 TYR 13 -8.058 -8.402 0.007 71 HD2 TYR 13 HD1 TYR 13 -3.915 -8.184 -0.937 72 HE1 TYR 13 HE2 TYR 13 -7.635 -10.356 1.439 73 HE2 TYR 13 HE1 TYR 13 -3.480 -10.139 0.492 74 HH TYR 13 HH TYR 13 -5.053 -11.165 2.734 75 H LYS 14 H LYS 14 -8.383 -4.600 -2.392 76 HA LYS 14 HA LYS 14 -7.145 -4.071 -4.935 77 HB2 LYS 14 1HB LYS 14 -9.089 -5.166 -5.796 78 HB3 LYS 14 2HB LYS 14 -10.145 -4.289 -4.697 79 HG2 LYS 14 1HG LYS 14 -9.123 -2.204 -5.972 80 HG3 LYS 14 2HG LYS 14 -8.895 -3.414 -7.237 81 HD2 LYS 14 1HD LYS 14 -11.407 -3.993 -6.611 82 HD3 LYS 14 2HD LYS 14 -11.402 -2.307 -6.087 83 HE2 LYS 14 1HE LYS 14 -10.406 -1.780 -8.376 84 HE3 LYS 14 2HE LYS 14 -10.873 -3.418 -8.829 85 HZ1 LYS 14 3HZ LYS 14 -12.469 -1.113 -8.741 86 HZ2 LYS 14 1HZ LYS 14 -13.071 -2.213 -7.606 87 HZ3 LYS 14 2HZ LYS 14 -12.904 -2.674 -9.224 88 H CYS 15 H CYS 15 -6.572 -1.993 -5.019 89 HA CYS 15 HA CYS 15 -6.948 -0.229 -2.908 90 HB2 CYS 15 1HB CYS 15 -5.308 -0.221 -5.001 91 HB3 CYS 15 2HB CYS 15 -6.514 0.892 -5.637 92 H GLN 16 H GLN 16 -7.877 2.081 -3.305 93 HA GLN 16 HA GLN 16 -10.553 1.827 -4.508 94 HB2 GLN 16 1HB GLN 16 -9.902 3.351 -1.982 95 HB3 GLN 16 2HB GLN 16 -11.494 3.117 -2.692 96 HG2 GLN 16 1HG GLN 16 -9.801 0.822 -1.762 97 HG3 GLN 16 2HG GLN 16 -10.898 1.688 -0.687 98 HE21 GLN 16 1HE2 GLN 16 -10.601 -0.614 -3.207 99 HE22 GLN 16 2HE2 GLN 16 -12.271 -1.042 -3.319 100 H VAL 17 H VAL 17 -7.808 3.868 -3.776 101 HA VAL 17 HA VAL 17 -8.900 6.265 -4.872 102 HB VAL 17 HB VAL 17 -6.516 7.050 -4.885 103 HG11 VAL 17 1HG1 VAL 17 -6.277 6.891 -2.362 104 HG12 VAL 17 2HG1 VAL 17 -7.788 7.570 -2.970 105 HG13 VAL 17 3HG1 VAL 17 -7.738 5.905 -2.388 106 HG21 VAL 17 3HG2 VAL 17 -5.980 4.346 -3.657 107 HG22 VAL 17 1HG2 VAL 17 -5.476 4.857 -5.268 108 HG23 VAL 17 2HG2 VAL 17 -4.817 5.660 -3.843 109 H CYS 18 H CYS 18 -6.750 3.735 -6.111 110 HA CYS 18 HA CYS 18 -6.988 4.924 -8.793 111 HB2 CYS 18 1HB CYS 18 -4.960 3.700 -9.379 112 HB3 CYS 18 2HB CYS 18 -4.680 4.697 -7.955 113 H GLY 19 H GLY 19 -7.400 1.995 -6.906 114 HA2 GLY 19 1HA GLY 19 -9.096 0.405 -7.411 115 HA3 GLY 19 2HA GLY 19 -9.013 0.894 -9.096 116 H LYS 20 H LYS 20 -6.058 0.353 -7.396 117 HA LYS 20 HA LYS 20 -5.226 -1.650 -9.223 118 HB2 LYS 20 1HB LYS 20 -4.091 -0.357 -6.798 119 HB3 LYS 20 2HB LYS 20 -3.405 -1.904 -7.278 120 HG2 LYS 20 1HG LYS 20 -3.722 0.184 -9.363 121 HG3 LYS 20 2HG LYS 20 -2.443 0.388 -8.163 122 HD2 LYS 20 1HD LYS 20 -1.982 -2.152 -8.785 123 HD3 LYS 20 2HD LYS 20 -2.749 -1.659 -10.296 124 HE2 LYS 20 1HE LYS 20 -0.577 -1.152 -10.784 125 HE3 LYS 20 2HE LYS 20 -1.081 0.376 -10.065 126 HZ1 LYS 20 3HZ LYS 20 0.814 -1.574 -9.102 127 HZ2 LYS 20 1HZ LYS 20 -0.260 -1.019 -7.918 128 HZ3 LYS 20 2HZ LYS 20 0.701 0.081 -8.771 129 H ALA 21 H ALA 21 -4.174 -3.737 -8.253 130 HA ALA 21 HA ALA 21 -5.774 -4.941 -6.144 131 HB1 ALA 21 3HB ALA 21 -7.115 -5.349 -8.138 132 HB2 ALA 21 1HB ALA 21 -5.725 -6.093 -8.931 133 HB3 ALA 21 2HB ALA 21 -6.443 -6.855 -7.511 134 H PHE 22 H PHE 22 -4.771 -6.649 -5.127 135 HA PHE 22 HA PHE 22 -2.344 -7.781 -6.245 136 HB2 PHE 22 1HB PHE 22 -2.155 -6.569 -3.501 137 HB3 PHE 22 2HB PHE 22 -0.856 -7.071 -4.578 138 HD1 PHE 22 HD2 PHE 22 -3.575 -4.565 -4.229 139 HD2 PHE 22 HD1 PHE 22 0.207 -5.518 -5.933 140 HE1 PHE 22 HE2 PHE 22 -3.362 -2.253 -5.041 141 HE2 PHE 22 HE1 PHE 22 0.427 -3.206 -6.747 142 HZ PHE 22 HZ PHE 22 -1.360 -1.571 -6.302 143 H ARG 23 H ARG 23 -2.818 -9.874 -6.069 144 HA ARG 23 HA ARG 23 -4.598 -11.121 -4.419 145 HB2 ARG 23 1HB ARG 23 -3.154 -13.186 -4.709 146 HB3 ARG 23 2HB ARG 23 -3.648 -12.375 -6.189 147 HG2 ARG 23 1HG ARG 23 -1.478 -11.368 -6.425 148 HG3 ARG 23 2HG ARG 23 -0.972 -12.009 -4.860 149 HD2 ARG 23 1HD ARG 23 -0.042 -13.546 -6.297 150 HD3 ARG 23 2HD ARG 23 -1.588 -14.310 -5.929 151 HE ARG 23 HE ARG 23 -2.106 -12.840 -8.153 152 HH11 ARG 23 1HH1 ARG 23 0.275 -15.245 -7.337 153 HH12 ARG 23 2HH1 ARG 23 0.421 -15.838 -8.958 154 HH21 ARG 23 1HH2 ARG 23 -1.922 -13.612 -10.291 155 HH22 ARG 23 2HH2 ARG 23 -0.828 -14.909 -10.638 156 H VAL 24 H VAL 24 -1.553 -9.794 -3.554 157 HA VAL 24 HA VAL 24 -1.662 -11.129 -0.931 158 HB VAL 24 HB VAL 24 0.666 -10.750 -0.665 159 HG11 VAL 24 1HG1 VAL 24 1.027 -12.540 -1.927 160 HG12 VAL 24 2HG1 VAL 24 -0.359 -12.142 -2.944 161 HG13 VAL 24 3HG1 VAL 24 1.233 -11.483 -3.324 162 HG21 VAL 24 3HG2 VAL 24 2.023 -9.418 -2.110 163 HG22 VAL 24 1HG2 VAL 24 0.692 -9.196 -3.246 164 HG23 VAL 24 2HG2 VAL 24 0.624 -8.448 -1.650 165 H SER 25 H SER 25 -1.149 -9.846 0.952 166 HA SER 25 HA SER 25 -2.363 -7.218 0.798 167 HB2 SER 25 1HB SER 25 -3.080 -8.578 2.635 168 HB3 SER 25 2HB SER 25 -1.417 -8.912 3.117 169 HG SER 25 HG SER 25 -2.341 -7.303 4.430 170 H SER 26 H SER 26 0.790 -8.636 1.344 171 HA SER 26 HA SER 26 2.137 -6.438 2.407 172 HB2 SER 26 1HB SER 26 4.184 -7.502 1.321 173 HB3 SER 26 2HB SER 26 3.261 -8.532 2.414 174 HG SER 26 HG SER 26 3.544 -8.665 -0.354 175 H HIS 27 H HIS 27 2.144 -7.491 -1.004 176 HA HIS 27 HA HIS 27 3.434 -5.303 -2.087 177 HB2 HIS 27 1HB HIS 27 1.369 -7.179 -3.210 178 HB3 HIS 27 2HB HIS 27 2.032 -5.871 -4.185 179 HD2 HIS 27 HD2 HIS 27 4.535 -7.705 -1.871 180 HE1 HIS 27 HE1 HIS 27 5.178 -9.065 -5.838 181 HE2 HIS 27 HE2 HIS 27 5.990 -9.142 -3.455 182 H LEU 28 H LEU 28 -0.096 -5.785 -1.900 183 HA LEU 28 HA LEU 28 -0.972 -3.415 -2.932 184 HB2 LEU 28 1HB LEU 28 -2.597 -4.994 -2.358 185 HB3 LEU 28 2HB LEU 28 -2.027 -5.106 -0.694 186 HG LEU 28 HG LEU 28 -2.975 -2.939 -0.184 187 HD11 LEU 28 1HD1 LEU 28 -4.239 -1.666 -1.798 188 HD12 LEU 28 2HD1 LEU 28 -3.924 -2.872 -3.044 189 HD13 LEU 28 3HD1 LEU 28 -2.597 -1.911 -2.393 190 HD21 LEU 28 3HD2 LEU 28 -5.152 -3.628 -0.027 191 HD22 LEU 28 1HD2 LEU 28 -4.362 -5.166 -0.377 192 HD23 LEU 28 2HD2 LEU 28 -5.182 -4.282 -1.665 193 H VAL 29 H VAL 29 0.264 -4.001 0.319 194 HA VAL 29 HA VAL 29 -0.367 -1.494 1.428 195 HB VAL 29 HB VAL 29 1.915 -3.350 2.123 196 HG11 VAL 29 1HG1 VAL 29 1.765 -0.788 2.897 197 HG12 VAL 29 2HG1 VAL 29 0.753 -1.528 4.139 198 HG13 VAL 29 3HG1 VAL 29 2.418 -2.068 3.919 199 HG21 VAL 29 3HG2 VAL 29 0.441 -4.649 3.170 200 HG22 VAL 29 1HG2 VAL 29 -0.291 -3.264 3.981 201 HG23 VAL 29 2HG2 VAL 29 -0.836 -3.732 2.370 202 H GLN 30 H GLN 30 2.795 -2.655 0.241 203 HA GLN 30 HA GLN 30 4.172 -0.267 0.397 204 HB2 GLN 30 1HB GLN 30 4.495 -2.420 -1.700 205 HB3 GLN 30 2HB GLN 30 5.688 -1.191 -1.302 206 HG2 GLN 30 1HG GLN 30 4.757 -3.489 0.386 207 HG3 GLN 30 2HG GLN 30 6.378 -3.163 -0.224 208 HE21 GLN 30 1HE2 GLN 30 3.927 -2.161 2.064 209 HE22 GLN 30 2HE2 GLN 30 4.995 -1.329 3.138 210 H HIS 31 H HIS 31 1.705 -1.199 -1.814 211 HA HIS 31 HA HIS 31 2.369 0.824 -3.778 212 HB2 HIS 31 1HB HIS 31 1.389 -0.927 -4.888 213 HB3 HIS 31 2HB HIS 31 0.339 -1.338 -3.535 214 HD1 HIS 31 HD1 HIS 31 0.598 1.092 -6.409 215 HD2 HIS 31 HD2 HIS 31 -2.194 -0.271 -3.651 216 HE1 HIS 31 HE1 HIS 31 -1.606 2.046 -7.156 217 H HIS 32 H HIS 32 0.418 0.523 -0.952 218 HA HIS 32 HA HIS 32 -1.462 2.570 -1.501 219 HB2 HIS 32 1HB HIS 32 -0.562 1.093 0.924 220 HB3 HIS 32 2HB HIS 32 -1.436 2.602 1.165 221 HD2 HIS 32 HD2 HIS 32 -2.421 -0.824 1.351 222 HE1 HIS 32 HE1 HIS 32 -5.551 0.861 -0.966 223 HE2 HIS 32 HE2 HIS 32 -4.848 -1.070 0.491 224 H SER 33 H SER 33 1.810 2.767 -1.165 225 HA SER 33 HA SER 33 1.690 5.493 -0.054 226 HB2 SER 33 1HB SER 33 4.009 3.548 -0.135 227 HB3 SER 33 2HB SER 33 4.106 5.205 0.462 228 HG SER 33 HG SER 33 2.985 2.957 1.626 229 H VAL 34 H VAL 34 1.513 4.173 -2.905 230 HA VAL 34 HA VAL 34 3.659 5.590 -4.262 231 HB VAL 34 HB VAL 34 3.011 4.495 -6.239 232 HG11 VAL 34 1HG1 VAL 34 2.522 2.080 -5.398 233 HG12 VAL 34 2HG1 VAL 34 4.050 2.859 -4.983 234 HG13 VAL 34 3HG1 VAL 34 2.743 2.791 -3.800 235 HG21 VAL 34 3HG2 VAL 34 0.862 4.398 -6.795 236 HG22 VAL 34 1HG2 VAL 34 0.666 3.062 -5.660 237 HG23 VAL 34 2HG2 VAL 34 0.375 4.719 -5.131 238 H HIS 35 H HIS 35 0.515 6.232 -3.221 239 HA HIS 35 HA HIS 35 -0.011 8.201 -5.314 240 HB2 HIS 35 1HB HIS 35 -1.761 7.566 -2.940 241 HB3 HIS 35 2HB HIS 35 -2.226 8.355 -4.444 242 HD1 HIS 35 HD1 HIS 35 -1.529 6.550 -6.609 243 HD2 HIS 35 HD2 HIS 35 -2.751 5.065 -2.927 244 HE1 HIS 35 HE1 HIS 35 -2.340 4.214 -7.063 245 H SER 36 H SER 36 0.286 8.047 -1.773 246 HA SER 36 HA SER 36 -0.006 10.734 -1.189 247 HB2 SER 36 1HB SER 36 1.413 8.461 0.122 248 HB3 SER 36 2HB SER 36 1.749 10.090 0.708 249 HG SER 36 HG SER 36 -0.844 8.963 0.444 250 H GLY 37 H GLY 37 1.368 12.489 -1.044 251 HA2 GLY 37 1HA GLY 37 3.971 12.878 -1.097 252 HA3 GLY 37 2HA GLY 37 3.742 12.315 -2.746 253 H GLU 38 H GLU 38 2.848 13.664 -4.265 254 HA GLU 38 HA GLU 38 1.502 16.077 -3.654 255 HB2 GLU 38 1HB GLU 38 3.968 16.531 -3.015 256 HB3 GLU 38 2HB GLU 38 4.259 16.559 -4.748 257 HG2 GLU 38 1HG GLU 38 2.733 18.395 -5.028 258 HG3 GLU 38 2HG GLU 38 2.273 18.316 -3.328 259 H ARG 39 H ARG 39 0.213 16.387 -5.335 260 HA ARG 39 HA ARG 39 0.400 14.975 -7.739 261 HB2 ARG 39 1HB ARG 39 -1.156 17.423 -6.935 262 HB3 ARG 39 2HB ARG 39 -1.276 16.747 -8.553 263 HG2 ARG 39 1HG ARG 39 -1.784 15.120 -6.081 264 HG3 ARG 39 2HG ARG 39 -3.047 16.044 -6.898 265 HD2 ARG 39 1HD ARG 39 -2.217 14.779 -9.017 266 HD3 ARG 39 2HD ARG 39 -1.526 13.653 -7.850 267 HE ARG 39 HE ARG 39 -4.290 13.950 -8.530 268 HH11 ARG 39 1HH1 ARG 39 -2.080 13.024 -6.005 269 HH12 ARG 39 2HH1 ARG 39 -3.217 11.986 -5.210 270 HH21 ARG 39 1HH2 ARG 39 -5.796 12.586 -7.493 271 HH22 ARG 39 2HH2 ARG 39 -5.330 11.737 -6.058 272 HA PRO 40 HA PRO 40 3.397 17.247 -10.040 273 HB2 PRO 40 1HB PRO 40 2.714 16.401 -12.528 274 HB3 PRO 40 2HB PRO 40 3.565 15.377 -11.365 275 HG2 PRO 40 1HG PRO 40 0.653 15.444 -12.055 276 HG3 PRO 40 2HG PRO 40 1.710 14.043 -11.798 277 HD2 PRO 40 1HD PRO 40 0.006 14.949 -9.899 278 HD3 PRO 40 2HD PRO 40 1.563 14.194 -9.503 279 H SER 41 H SER 41 0.085 17.827 -10.110 280 HA SER 41 HA SER 41 -0.386 19.457 -12.269 281 HB2 SER 41 1HB SER 41 -2.070 20.605 -10.860 282 HB3 SER 41 2HB SER 41 -2.139 18.852 -10.682 283 HG SER 41 HG SER 41 -0.786 20.619 -8.918 284 H GLY 42 H GLY 42 -0.666 21.897 -12.207 285 HA2 GLY 42 1HA GLY 42 0.291 23.981 -12.121 286 HA3 GLY 42 2HA GLY 42 0.878 23.532 -10.526 287 HA PRO 43 HA PRO 43 4.329 22.124 -13.600 288 HB2 PRO 43 1HB PRO 43 4.007 22.804 -16.208 289 HB3 PRO 43 2HB PRO 43 3.414 21.282 -15.532 290 HG2 PRO 43 1HG PRO 43 1.923 23.818 -16.086 291 HG3 PRO 43 2HG PRO 43 1.433 22.141 -16.395 292 HD2 PRO 43 1HD PRO 43 0.543 23.549 -14.260 293 HD3 PRO 43 2HD PRO 43 0.795 21.792 -14.208 294 H SER 44 H SER 44 6.178 23.293 -13.971 295 HA SER 44 HA SER 44 6.438 25.870 -13.161 296 HB2 SER 44 1HB SER 44 8.347 24.368 -13.592 297 HB3 SER 44 2HB SER 44 8.096 24.554 -15.328 298 HG SER 44 HG SER 44 8.375 26.881 -13.826 299 H SER 45 H SER 45 5.391 27.619 -13.827 300 HA SER 45 HA SER 45 4.930 27.981 -16.711 301 HB2 SER 45 1HB SER 45 3.423 28.937 -14.286 302 HB3 SER 45 2HB SER 45 3.217 29.717 -15.854 303 HG SER 45 HG SER 45 1.750 27.903 -15.281 304 H GLY 46 H GLY 46 6.166 29.423 -17.703 305 HA2 GLY 46 1HA GLY 46 6.564 32.044 -17.087 306 HA3 GLY 46 2HA GLY 46 7.842 31.221 -16.204 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -7.496 -6.305 -33.444 2 HA2 GLY 1 1HA GLY 1 -6.429 -8.023 -32.244 3 HA3 GLY 1 2HA GLY 1 -4.892 -7.205 -32.484 4 H SER 2 H SER 2 -5.490 -8.227 -30.031 5 HA SER 2 HA SER 2 -5.185 -5.976 -28.352 6 HB2 SER 2 1HB SER 2 -7.287 -6.321 -26.997 7 HB3 SER 2 2HB SER 2 -7.545 -5.621 -28.595 8 HG SER 2 HG SER 2 -8.246 -8.125 -27.609 9 H SER 3 H SER 3 -5.289 -6.656 -25.974 10 HA SER 3 HA SER 3 -4.379 -9.451 -25.741 11 HB2 SER 3 1HB SER 3 -3.309 -6.921 -24.528 12 HB3 SER 3 2HB SER 3 -3.062 -8.465 -23.714 13 HG SER 3 HG SER 3 -2.478 -8.351 -26.433 14 H GLY 4 H GLY 4 -5.276 -10.701 -24.198 15 HA2 GLY 4 1HA GLY 4 -7.227 -9.397 -22.401 16 HA3 GLY 4 2HA GLY 4 -7.443 -11.003 -23.081 17 H SER 5 H SER 5 -7.470 -12.303 -21.346 18 HA SER 5 HA SER 5 -6.774 -13.430 -19.496 19 HB2 SER 5 1HB SER 5 -4.110 -12.495 -20.569 20 HB3 SER 5 2HB SER 5 -4.255 -13.563 -19.174 21 HG SER 5 HG SER 5 -5.391 -14.113 -21.714 22 H SER 6 H SER 6 -7.785 -10.919 -18.994 23 HA SER 6 HA SER 6 -6.042 -9.888 -16.855 24 HB2 SER 6 1HB SER 6 -6.831 -8.375 -18.830 25 HB3 SER 6 2HB SER 6 -8.369 -8.348 -17.967 26 HG SER 6 HG SER 6 -5.864 -7.640 -16.834 27 H GLY 7 H GLY 7 -7.532 -12.176 -16.364 28 HA2 GLY 7 1HA GLY 7 -9.162 -11.253 -14.158 29 HA3 GLY 7 2HA GLY 7 -10.055 -12.099 -15.413 30 H THR 8 H THR 8 -10.319 -14.197 -15.098 31 HA THR 8 HA THR 8 -10.199 -16.160 -13.854 32 HB THR 8 HB THR 8 -8.955 -16.556 -15.950 33 HG1 THR 8 HG1 THR 8 -7.485 -18.247 -14.852 34 HG21 THR 8 3HG2 THR 8 -6.666 -16.253 -16.183 35 HG22 THR 8 1HG2 THR 8 -6.389 -16.220 -14.442 36 HG23 THR 8 2HG2 THR 8 -7.135 -14.837 -15.242 37 H GLY 9 H GLY 9 -9.842 -14.287 -11.976 38 HA2 GLY 9 1HA GLY 9 -8.827 -15.336 -9.788 39 HA3 GLY 9 2HA GLY 9 -7.335 -14.846 -10.575 40 H GLU 10 H GLU 10 -10.526 -13.486 -9.747 41 HA GLU 10 HA GLU 10 -9.589 -10.806 -9.687 42 HB2 GLU 10 1HB GLU 10 -11.794 -10.474 -8.364 43 HB3 GLU 10 2HB GLU 10 -11.879 -10.970 -10.048 44 HG2 GLU 10 1HG GLU 10 -11.834 -13.088 -7.971 45 HG3 GLU 10 2HG GLU 10 -13.309 -12.144 -8.171 46 H LYS 11 H LYS 11 -7.795 -10.688 -8.347 47 HA LYS 11 HA LYS 11 -7.226 -11.702 -5.941 48 HB2 LYS 11 1HB LYS 11 -6.923 -8.791 -6.699 49 HB3 LYS 11 2HB LYS 11 -6.093 -9.568 -5.358 50 HG2 LYS 11 1HG LYS 11 -4.699 -10.768 -6.736 51 HG3 LYS 11 2HG LYS 11 -5.816 -10.701 -8.101 52 HD2 LYS 11 1HD LYS 11 -5.362 -8.219 -8.194 53 HD3 LYS 11 2HD LYS 11 -4.061 -8.497 -7.034 54 HE2 LYS 11 1HE LYS 11 -3.381 -10.346 -8.805 55 HE3 LYS 11 2HE LYS 11 -4.266 -9.279 -9.895 56 HZ1 LYS 11 3HZ LYS 11 -2.661 -7.744 -9.816 57 HZ2 LYS 11 1HZ LYS 11 -1.675 -8.994 -9.241 58 HZ3 LYS 11 2HZ LYS 11 -2.406 -7.925 -8.153 59 HA PRO 12 HA PRO 12 -10.404 -10.657 -3.078 60 HB2 PRO 12 1HB PRO 12 -9.010 -10.951 -0.767 61 HB3 PRO 12 2HB PRO 12 -9.544 -12.321 -1.747 62 HG2 PRO 12 1HG PRO 12 -6.854 -11.013 -1.625 63 HG3 PRO 12 2HG PRO 12 -7.258 -12.739 -1.677 64 HD2 PRO 12 1HD PRO 12 -6.445 -11.366 -3.865 65 HD3 PRO 12 2HD PRO 12 -7.588 -12.722 -3.958 66 H TYR 13 H TYR 13 -7.308 -9.011 -3.002 67 HA TYR 13 HA TYR 13 -8.531 -6.769 -1.545 68 HB2 TYR 13 1HB TYR 13 -5.597 -6.917 -2.100 69 HB3 TYR 13 2HB TYR 13 -6.440 -6.188 -0.739 70 HD1 TYR 13 HD2 TYR 13 -8.137 -8.442 0.151 71 HD2 TYR 13 HD1 TYR 13 -4.075 -8.384 -1.112 72 HE1 TYR 13 HE2 TYR 13 -7.694 -10.448 1.503 73 HE2 TYR 13 HE1 TYR 13 -3.620 -10.390 0.236 74 HH TYR 13 HH TYR 13 -4.731 -11.455 2.383 75 H LYS 14 H LYS 14 -8.497 -4.700 -2.372 76 HA LYS 14 HA LYS 14 -7.212 -4.131 -4.894 77 HB2 LYS 14 1HB LYS 14 -9.194 -5.152 -5.767 78 HB3 LYS 14 2HB LYS 14 -10.218 -4.256 -4.653 79 HG2 LYS 14 1HG LYS 14 -9.120 -2.189 -5.895 80 HG3 LYS 14 2HG LYS 14 -8.941 -3.385 -7.181 81 HD2 LYS 14 1HD LYS 14 -11.447 -3.899 -6.665 82 HD3 LYS 14 2HD LYS 14 -11.431 -2.292 -5.935 83 HE2 LYS 14 1HE LYS 14 -10.642 -1.338 -8.036 84 HE3 LYS 14 2HE LYS 14 -10.617 -2.942 -8.767 85 HZ1 LYS 14 3HZ LYS 14 -12.671 -1.281 -8.976 86 HZ2 LYS 14 1HZ LYS 14 -13.137 -2.113 -7.579 87 HZ3 LYS 14 2HZ LYS 14 -12.842 -2.963 -9.012 88 H CYS 15 H CYS 15 -6.703 -2.020 -5.062 89 HA CYS 15 HA CYS 15 -6.960 -0.307 -2.865 90 HB2 CYS 15 1HB CYS 15 -5.360 -0.284 -4.984 91 HB3 CYS 15 2HB CYS 15 -6.565 0.848 -5.588 92 H GLN 16 H GLN 16 -7.828 2.058 -3.284 93 HA GLN 16 HA GLN 16 -10.543 1.863 -4.404 94 HB2 GLN 16 1HB GLN 16 -9.854 3.377 -1.887 95 HB3 GLN 16 2HB GLN 16 -11.454 3.074 -2.549 96 HG2 GLN 16 1HG GLN 16 -9.595 0.954 -1.498 97 HG3 GLN 16 2HG GLN 16 -10.928 1.673 -0.596 98 HE21 GLN 16 1HE2 GLN 16 -10.163 -1.048 -1.964 99 HE22 GLN 16 2HE2 GLN 16 -11.667 -1.538 -2.658 100 H VAL 17 H VAL 17 -7.705 3.779 -3.780 101 HA VAL 17 HA VAL 17 -8.784 6.239 -4.783 102 HB VAL 17 HB VAL 17 -6.359 6.948 -4.848 103 HG11 VAL 17 1HG1 VAL 17 -7.700 5.947 -2.361 104 HG12 VAL 17 2HG1 VAL 17 -6.132 6.754 -2.291 105 HG13 VAL 17 3HG1 VAL 17 -7.534 7.602 -2.945 106 HG21 VAL 17 3HG2 VAL 17 -5.900 4.289 -3.503 107 HG22 VAL 17 1HG2 VAL 17 -5.457 4.655 -5.170 108 HG23 VAL 17 2HG2 VAL 17 -4.697 5.533 -3.843 109 H CYS 18 H CYS 18 -6.771 3.645 -6.097 110 HA CYS 18 HA CYS 18 -7.023 4.880 -8.760 111 HB2 CYS 18 1HB CYS 18 -5.002 3.728 -9.404 112 HB3 CYS 18 2HB CYS 18 -4.695 4.603 -7.908 113 H GLY 19 H GLY 19 -7.452 1.964 -6.873 114 HA2 GLY 19 1HA GLY 19 -9.152 0.379 -7.357 115 HA3 GLY 19 2HA GLY 19 -9.099 0.877 -9.042 116 H LYS 20 H LYS 20 -6.140 0.269 -7.342 117 HA LYS 20 HA LYS 20 -5.362 -1.733 -9.213 118 HB2 LYS 20 1HB LYS 20 -4.145 -0.430 -6.832 119 HB3 LYS 20 2HB LYS 20 -3.482 -1.982 -7.327 120 HG2 LYS 20 1HG LYS 20 -3.827 0.262 -9.282 121 HG3 LYS 20 2HG LYS 20 -2.401 0.142 -8.249 122 HD2 LYS 20 1HD LYS 20 -3.238 -2.263 -9.789 123 HD3 LYS 20 2HD LYS 20 -2.460 -0.940 -10.660 124 HE2 LYS 20 1HE LYS 20 -0.668 -1.051 -8.830 125 HE3 LYS 20 2HE LYS 20 -1.371 -2.614 -8.418 126 HZ1 LYS 20 3HZ LYS 20 -0.696 -3.539 -10.388 127 HZ2 LYS 20 1HZ LYS 20 0.581 -2.468 -10.099 128 HZ3 LYS 20 2HZ LYS 20 -0.630 -2.061 -11.207 129 H ALA 21 H ALA 21 -4.232 -3.789 -8.169 130 HA ALA 21 HA ALA 21 -5.762 -4.970 -6.015 131 HB1 ALA 21 3HB ALA 21 -6.699 -6.779 -7.240 132 HB2 ALA 21 1HB ALA 21 -7.152 -5.295 -8.080 133 HB3 ALA 21 2HB ALA 21 -5.850 -6.305 -8.712 134 H PHE 22 H PHE 22 -4.645 -6.541 -4.968 135 HA PHE 22 HA PHE 22 -2.310 -7.735 -6.258 136 HB2 PHE 22 1HB PHE 22 -2.052 -6.569 -3.494 137 HB3 PHE 22 2HB PHE 22 -0.775 -7.098 -4.585 138 HD1 PHE 22 HD2 PHE 22 -3.476 -4.557 -4.285 139 HD2 PHE 22 HD1 PHE 22 0.350 -5.542 -5.867 140 HE1 PHE 22 HE2 PHE 22 -3.221 -2.248 -5.095 141 HE2 PHE 22 HE1 PHE 22 0.612 -3.234 -6.679 142 HZ PHE 22 HZ PHE 22 -1.175 -1.584 -6.295 143 H ARG 23 H ARG 23 -2.781 -9.832 -6.129 144 HA ARG 23 HA ARG 23 -4.507 -11.163 -4.527 145 HB2 ARG 23 1HB ARG 23 -2.940 -13.167 -4.775 146 HB3 ARG 23 2HB ARG 23 -3.492 -12.395 -6.256 147 HG2 ARG 23 1HG ARG 23 -1.381 -11.237 -6.481 148 HG3 ARG 23 2HG ARG 23 -0.827 -11.903 -4.943 149 HD2 ARG 23 1HD ARG 23 0.154 -13.369 -6.403 150 HD3 ARG 23 2HD ARG 23 -1.377 -14.192 -6.109 151 HE ARG 23 HE ARG 23 -0.518 -12.925 -8.565 152 HH11 ARG 23 1HH1 ARG 23 -3.173 -14.219 -6.722 153 HH12 ARG 23 2HH1 ARG 23 -4.180 -14.477 -8.108 154 HH21 ARG 23 1HH2 ARG 23 -1.834 -13.259 -10.397 155 HH22 ARG 23 2HH2 ARG 23 -3.417 -13.931 -10.199 156 H VAL 24 H VAL 24 -1.471 -9.820 -3.582 157 HA VAL 24 HA VAL 24 -1.630 -11.171 -0.972 158 HB VAL 24 HB VAL 24 0.686 -10.588 -0.624 159 HG11 VAL 24 1HG1 VAL 24 1.542 -11.610 -2.977 160 HG12 VAL 24 2HG1 VAL 24 0.853 -12.576 -1.670 161 HG13 VAL 24 3HG1 VAL 24 -0.161 -12.067 -3.021 162 HG21 VAL 24 3HG2 VAL 24 0.180 -8.526 -2.420 163 HG22 VAL 24 1HG2 VAL 24 1.727 -8.920 -1.669 164 HG23 VAL 24 2HG2 VAL 24 1.325 -9.575 -3.256 165 H SER 25 H SER 25 -1.100 -9.868 0.937 166 HA SER 25 HA SER 25 -2.503 -7.337 0.841 167 HB2 SER 25 1HB SER 25 -2.972 -8.886 2.677 168 HB3 SER 25 2HB SER 25 -1.280 -8.835 3.171 169 HG SER 25 HG SER 25 -1.881 -6.377 3.168 170 H SER 26 H SER 26 0.744 -8.507 1.636 171 HA SER 26 HA SER 26 1.903 -6.147 2.494 172 HB2 SER 26 1HB SER 26 3.204 -8.102 2.717 173 HB3 SER 26 2HB SER 26 3.032 -8.515 1.011 174 HG SER 26 HG SER 26 4.358 -6.171 1.875 175 H HIS 27 H HIS 27 2.490 -7.448 -0.767 176 HA HIS 27 HA HIS 27 3.563 -5.336 -2.016 177 HB2 HIS 27 1HB HIS 27 1.383 -7.101 -3.148 178 HB3 HIS 27 2HB HIS 27 2.435 -6.067 -4.111 179 HD2 HIS 27 HD2 HIS 27 4.596 -7.640 -1.486 180 HE1 HIS 27 HE1 HIS 27 4.716 -10.295 -4.793 181 HE2 HIS 27 HE2 HIS 27 5.698 -9.727 -2.544 182 H LEU 28 H LEU 28 0.038 -5.797 -1.740 183 HA LEU 28 HA LEU 28 -0.781 -3.450 -2.954 184 HB2 LEU 28 1HB LEU 28 -2.505 -4.898 -2.505 185 HB3 LEU 28 2HB LEU 28 -1.945 -5.225 -0.867 186 HG LEU 28 HG LEU 28 -2.759 -2.995 -0.180 187 HD11 LEU 28 1HD1 LEU 28 -2.644 -1.764 -2.211 188 HD12 LEU 28 2HD1 LEU 28 -4.342 -1.848 -1.746 189 HD13 LEU 28 3HD1 LEU 28 -3.728 -2.890 -3.028 190 HD21 LEU 28 3HD2 LEU 28 -4.423 -5.212 -1.122 191 HD22 LEU 28 1HD2 LEU 28 -5.284 -3.684 -0.941 192 HD23 LEU 28 2HD2 LEU 28 -4.417 -4.374 0.431 193 H VAL 29 H VAL 29 0.246 -3.998 0.377 194 HA VAL 29 HA VAL 29 -0.454 -1.497 1.435 195 HB VAL 29 HB VAL 29 1.823 -3.315 2.233 196 HG11 VAL 29 1HG1 VAL 29 0.572 -0.963 3.640 197 HG12 VAL 29 2HG1 VAL 29 1.618 -2.143 4.434 198 HG13 VAL 29 3HG1 VAL 29 2.250 -1.142 3.126 199 HG21 VAL 29 3HG2 VAL 29 -1.035 -3.498 2.544 200 HG22 VAL 29 1HG2 VAL 29 0.217 -4.666 2.968 201 HG23 VAL 29 2HG2 VAL 29 -0.241 -3.408 4.116 202 H GLN 30 H GLN 30 2.677 -2.620 0.153 203 HA GLN 30 HA GLN 30 4.058 -0.212 0.434 204 HB2 GLN 30 1HB GLN 30 4.440 -2.353 -1.665 205 HB3 GLN 30 2HB GLN 30 5.609 -1.104 -1.258 206 HG2 GLN 30 1HG GLN 30 4.698 -3.412 0.428 207 HG3 GLN 30 2HG GLN 30 6.319 -3.065 -0.171 208 HE21 GLN 30 1HE2 GLN 30 3.819 -2.024 2.061 209 HE22 GLN 30 2HE2 GLN 30 4.874 -1.200 3.153 210 H HIS 31 H HIS 31 1.712 -1.214 -1.909 211 HA HIS 31 HA HIS 31 2.369 0.830 -3.830 212 HB2 HIS 31 1HB HIS 31 1.385 -0.923 -4.936 213 HB3 HIS 31 2HB HIS 31 0.315 -1.312 -3.592 214 HD1 HIS 31 HD1 HIS 31 0.632 1.090 -6.484 215 HD2 HIS 31 HD2 HIS 31 -2.204 -0.216 -3.743 216 HE1 HIS 31 HE1 HIS 31 -1.553 2.062 -7.263 217 H HIS 32 H HIS 32 0.378 0.554 -1.026 218 HA HIS 32 HA HIS 32 -1.461 2.634 -1.612 219 HB2 HIS 32 1HB HIS 32 -0.624 1.176 0.862 220 HB3 HIS 32 2HB HIS 32 -1.574 2.650 1.023 221 HD2 HIS 32 HD2 HIS 32 -2.465 -0.766 1.311 222 HE1 HIS 32 HE1 HIS 32 -5.455 0.651 -1.344 223 HE2 HIS 32 HE2 HIS 32 -4.806 -1.158 0.284 224 H SER 33 H SER 33 1.799 2.777 -1.215 225 HA SER 33 HA SER 33 1.702 5.489 -0.067 226 HB2 SER 33 1HB SER 33 3.045 3.828 1.223 227 HB3 SER 33 2HB SER 33 4.084 3.624 -0.187 228 HG SER 33 HG SER 33 4.123 6.132 0.095 229 H VAL 34 H VAL 34 1.611 4.158 -2.939 230 HA VAL 34 HA VAL 34 3.790 5.585 -4.226 231 HB VAL 34 HB VAL 34 3.173 4.515 -6.238 232 HG11 VAL 34 1HG1 VAL 34 2.671 2.080 -5.362 233 HG12 VAL 34 2HG1 VAL 34 4.226 2.858 -5.060 234 HG13 VAL 34 3HG1 VAL 34 2.995 2.823 -3.796 235 HG21 VAL 34 3HG2 VAL 34 1.003 4.496 -6.761 236 HG22 VAL 34 1HG2 VAL 34 0.892 3.015 -5.810 237 HG23 VAL 34 2HG2 VAL 34 0.515 4.569 -5.068 238 H HIS 35 H HIS 35 0.423 6.001 -3.560 239 HA HIS 35 HA HIS 35 0.001 8.018 -5.577 240 HB2 HIS 35 1HB HIS 35 -1.766 7.483 -3.193 241 HB3 HIS 35 2HB HIS 35 -2.219 8.175 -4.748 242 HD1 HIS 35 HD1 HIS 35 -1.626 6.299 -6.816 243 HD2 HIS 35 HD2 HIS 35 -2.589 4.928 -3.015 244 HE1 HIS 35 HE1 HIS 35 -2.375 3.919 -7.130 245 H SER 36 H SER 36 0.083 8.028 -2.011 246 HA SER 36 HA SER 36 0.081 10.867 -1.824 247 HB2 SER 36 1HB SER 36 0.627 10.473 0.570 248 HB3 SER 36 2HB SER 36 -0.744 9.510 0.020 249 HG SER 36 HG SER 36 1.897 8.686 0.565 250 H GLY 37 H GLY 37 1.725 11.882 -2.856 251 HA2 GLY 37 1HA GLY 37 3.977 12.746 -2.111 252 HA3 GLY 37 2HA GLY 37 4.471 11.060 -2.142 253 H GLU 38 H GLU 38 5.851 10.841 -3.780 254 HA GLU 38 HA GLU 38 5.025 11.876 -6.411 255 HB2 GLU 38 1HB GLU 38 7.414 12.219 -6.941 256 HB3 GLU 38 2HB GLU 38 6.871 13.222 -5.604 257 HG2 GLU 38 1HG GLU 38 8.132 10.591 -5.017 258 HG3 GLU 38 2HG GLU 38 9.149 11.949 -5.492 259 H ARG 39 H ARG 39 5.941 10.688 -8.251 260 HA ARG 39 HA ARG 39 6.906 8.001 -7.723 261 HB2 ARG 39 1HB ARG 39 5.069 7.111 -9.311 262 HB3 ARG 39 2HB ARG 39 4.654 7.413 -7.629 263 HG2 ARG 39 1HG ARG 39 3.741 9.622 -8.316 264 HG3 ARG 39 2HG ARG 39 4.030 9.163 -9.995 265 HD2 ARG 39 1HD ARG 39 2.375 7.497 -8.116 266 HD3 ARG 39 2HD ARG 39 1.685 8.790 -9.097 267 HE ARG 39 HE ARG 39 1.942 7.477 -10.977 268 HH11 ARG 39 1HH1 ARG 39 3.541 6.008 -8.256 269 HH12 ARG 39 2HH1 ARG 39 3.794 4.492 -9.056 270 HH21 ARG 39 1HH2 ARG 39 2.269 5.486 -12.042 271 HH22 ARG 39 2HH2 ARG 39 3.071 4.197 -11.210 272 HA PRO 40 HA PRO 40 9.079 8.647 -11.483 273 HB2 PRO 40 1HB PRO 40 9.373 6.092 -12.353 274 HB3 PRO 40 2HB PRO 40 10.268 6.747 -10.977 275 HG2 PRO 40 1HG PRO 40 7.807 5.043 -10.998 276 HG3 PRO 40 2HG PRO 40 9.242 4.924 -9.962 277 HD2 PRO 40 1HD PRO 40 6.934 6.068 -9.128 278 HD3 PRO 40 2HD PRO 40 8.527 6.611 -8.564 279 H SER 41 H SER 41 5.903 7.756 -11.415 280 HA SER 41 HA SER 41 5.058 6.673 -13.699 281 HB2 SER 41 1HB SER 41 3.778 8.079 -11.851 282 HB3 SER 41 2HB SER 41 3.844 9.334 -13.088 283 HG SER 41 HG SER 41 2.202 8.349 -13.934 284 H GLY 42 H GLY 42 5.312 6.929 -15.823 285 HA2 GLY 42 1HA GLY 42 6.009 7.802 -17.828 286 HA3 GLY 42 2HA GLY 42 5.391 9.332 -17.222 287 HA PRO 43 HA PRO 43 10.121 9.301 -17.673 288 HB2 PRO 43 1HB PRO 43 10.300 10.896 -19.863 289 HB3 PRO 43 2HB PRO 43 10.196 9.134 -19.963 290 HG2 PRO 43 1HG PRO 43 8.041 11.182 -20.315 291 HG3 PRO 43 2HG PRO 43 8.364 9.723 -21.270 292 HD2 PRO 43 1HD PRO 43 6.430 9.826 -19.377 293 HD3 PRO 43 2HD PRO 43 7.333 8.341 -19.741 294 H SER 44 H SER 44 11.406 11.522 -18.153 295 HA SER 44 HA SER 44 9.958 13.762 -16.943 296 HB2 SER 44 1HB SER 44 12.443 12.455 -15.859 297 HB3 SER 44 2HB SER 44 12.096 14.154 -15.534 298 HG SER 44 HG SER 44 11.176 12.103 -14.224 299 H SER 45 H SER 45 11.584 15.728 -16.850 300 HA SER 45 HA SER 45 12.555 16.038 -19.579 301 HB2 SER 45 1HB SER 45 12.790 18.459 -18.897 302 HB3 SER 45 2HB SER 45 11.148 17.821 -18.813 303 HG SER 45 HG SER 45 11.724 19.021 -16.941 304 H GLY 46 H GLY 46 14.116 14.320 -18.029 305 HA2 GLY 46 1HA GLY 46 16.689 15.408 -18.426 306 HA3 GLY 46 2HA GLY 46 16.289 15.494 -16.717 Start of MODEL 4 1 H1 GLY 1 H GLY 1 4.295 -4.383 -30.715 2 HA2 GLY 1 1HA GLY 1 1.649 -3.518 -29.773 3 HA3 GLY 1 2HA GLY 1 1.900 -5.214 -30.156 4 H SER 2 H SER 2 1.078 -4.496 -27.651 5 HA SER 2 HA SER 2 3.504 -4.810 -26.008 6 HB2 SER 2 1HB SER 2 1.920 -2.766 -25.699 7 HB3 SER 2 2HB SER 2 0.857 -3.921 -24.896 8 HG SER 2 HG SER 2 2.149 -3.941 -23.235 9 H SER 3 H SER 3 3.296 -6.166 -24.090 10 HA SER 3 HA SER 3 1.197 -8.210 -24.277 11 HB2 SER 3 1HB SER 3 4.173 -8.654 -24.306 12 HB3 SER 3 2HB SER 3 3.081 -9.893 -23.687 13 HG SER 3 HG SER 3 2.523 -8.744 -26.176 14 H GLY 4 H GLY 4 0.193 -8.347 -22.391 15 HA2 GLY 4 1HA GLY 4 1.215 -8.985 -19.957 16 HA3 GLY 4 2HA GLY 4 1.360 -7.234 -20.001 17 H SER 5 H SER 5 -1.198 -9.318 -21.305 18 HA SER 5 HA SER 5 -3.076 -8.029 -19.435 19 HB2 SER 5 1HB SER 5 -3.648 -8.778 -22.312 20 HB3 SER 5 2HB SER 5 -4.766 -7.999 -21.193 21 HG SER 5 HG SER 5 -3.738 -6.498 -22.594 22 H SER 6 H SER 6 -3.841 -9.487 -18.068 23 HA SER 6 HA SER 6 -5.072 -11.899 -18.986 24 HB2 SER 6 1HB SER 6 -2.451 -12.049 -17.500 25 HB3 SER 6 2HB SER 6 -3.609 -13.378 -17.497 26 HG SER 6 HG SER 6 -3.437 -12.877 -19.966 27 H GLY 7 H GLY 7 -6.040 -13.142 -17.180 28 HA2 GLY 7 1HA GLY 7 -6.115 -11.946 -14.566 29 HA3 GLY 7 2HA GLY 7 -7.571 -11.632 -15.500 30 H THR 8 H THR 8 -5.513 -14.214 -14.234 31 HA THR 8 HA THR 8 -7.548 -16.220 -14.680 32 HB THR 8 HB THR 8 -5.192 -16.847 -14.894 33 HG1 THR 8 HG1 THR 8 -5.354 -18.737 -13.662 34 HG21 THR 8 3HG2 THR 8 -4.296 -15.300 -13.188 35 HG22 THR 8 1HG2 THR 8 -3.723 -16.952 -12.965 36 HG23 THR 8 2HG2 THR 8 -4.998 -16.314 -11.928 37 H GLY 9 H GLY 9 -8.537 -14.166 -13.091 38 HA2 GLY 9 1HA GLY 9 -10.100 -14.912 -11.250 39 HA3 GLY 9 2HA GLY 9 -8.636 -15.402 -10.410 40 H GLU 10 H GLU 10 -10.815 -13.363 -9.860 41 HA GLU 10 HA GLU 10 -9.376 -10.849 -9.894 42 HB2 GLU 10 1HB GLU 10 -12.041 -11.522 -8.635 43 HB3 GLU 10 2HB GLU 10 -11.390 -9.909 -8.890 44 HG2 GLU 10 1HG GLU 10 -11.403 -10.378 -11.342 45 HG3 GLU 10 2HG GLU 10 -12.258 -11.879 -10.988 46 H LYS 11 H LYS 11 -8.014 -10.241 -8.361 47 HA LYS 11 HA LYS 11 -7.491 -11.748 -6.047 48 HB2 LYS 11 1HB LYS 11 -6.768 -8.875 -6.652 49 HB3 LYS 11 2HB LYS 11 -6.058 -9.854 -5.376 50 HG2 LYS 11 1HG LYS 11 -4.832 -11.121 -6.838 51 HG3 LYS 11 2HG LYS 11 -5.945 -10.847 -8.180 52 HD2 LYS 11 1HD LYS 11 -5.103 -8.691 -8.580 53 HD3 LYS 11 2HD LYS 11 -4.300 -8.622 -7.009 54 HE2 LYS 11 1HE LYS 11 -2.521 -9.037 -8.408 55 HE3 LYS 11 2HE LYS 11 -2.968 -10.673 -7.925 56 HZ1 LYS 11 3HZ LYS 11 -2.930 -11.013 -10.133 57 HZ2 LYS 11 1HZ LYS 11 -3.179 -9.384 -10.517 58 HZ3 LYS 11 2HZ LYS 11 -4.490 -10.360 -10.082 59 HA PRO 12 HA PRO 12 -10.460 -10.340 -3.130 60 HB2 PRO 12 1HB PRO 12 -9.045 -10.603 -0.828 61 HB3 PRO 12 2HB PRO 12 -9.672 -11.986 -1.733 62 HG2 PRO 12 1HG PRO 12 -6.911 -10.828 -1.712 63 HG3 PRO 12 2HG PRO 12 -7.411 -12.529 -1.676 64 HD2 PRO 12 1HD PRO 12 -6.561 -11.310 -3.939 65 HD3 PRO 12 2HD PRO 12 -7.779 -12.601 -3.950 66 H TYR 13 H TYR 13 -7.185 -9.018 -2.680 67 HA TYR 13 HA TYR 13 -8.259 -6.625 -1.431 68 HB2 TYR 13 1HB TYR 13 -5.374 -6.990 -2.170 69 HB3 TYR 13 2HB TYR 13 -6.069 -6.100 -0.820 70 HD1 TYR 13 HD2 TYR 13 -7.997 -8.547 -0.177 71 HD2 TYR 13 HD1 TYR 13 -3.793 -8.097 -0.654 72 HE1 TYR 13 HE2 TYR 13 -7.629 -10.484 1.293 73 HE2 TYR 13 HE1 TYR 13 -3.413 -10.034 0.813 74 HH TYR 13 HH TYR 13 -4.590 -12.007 1.598 75 H LYS 14 H LYS 14 -8.335 -4.620 -2.328 76 HA LYS 14 HA LYS 14 -7.095 -4.065 -4.877 77 HB2 LYS 14 1HB LYS 14 -8.923 -4.877 -5.979 78 HB3 LYS 14 2HB LYS 14 -9.995 -4.628 -4.608 79 HG2 LYS 14 1HG LYS 14 -9.990 -2.206 -5.089 80 HG3 LYS 14 2HG LYS 14 -9.003 -2.521 -6.517 81 HD2 LYS 14 1HD LYS 14 -11.538 -4.044 -6.201 82 HD3 LYS 14 2HD LYS 14 -11.642 -2.341 -6.656 83 HE2 LYS 14 1HE LYS 14 -10.319 -2.706 -8.606 84 HE3 LYS 14 2HE LYS 14 -9.910 -4.343 -8.094 85 HZ1 LYS 14 3HZ LYS 14 -11.993 -5.124 -8.627 86 HZ2 LYS 14 1HZ LYS 14 -11.751 -3.978 -9.848 87 HZ3 LYS 14 2HZ LYS 14 -12.727 -3.604 -8.519 88 H CYS 15 H CYS 15 -6.616 -1.951 -5.075 89 HA CYS 15 HA CYS 15 -6.870 -0.210 -2.902 90 HB2 CYS 15 1HB CYS 15 -5.302 -0.191 -5.041 91 HB3 CYS 15 2HB CYS 15 -6.535 0.909 -5.648 92 H GLN 16 H GLN 16 -7.832 2.076 -3.186 93 HA GLN 16 HA GLN 16 -10.540 1.846 -4.321 94 HB2 GLN 16 1HB GLN 16 -9.888 3.430 -1.843 95 HB3 GLN 16 2HB GLN 16 -11.473 2.969 -2.452 96 HG2 GLN 16 1HG GLN 16 -9.541 0.838 -1.690 97 HG3 GLN 16 2HG GLN 16 -10.395 1.722 -0.426 98 HE21 GLN 16 1HE2 GLN 16 -10.525 -0.836 -2.584 99 HE22 GLN 16 2HE2 GLN 16 -12.204 -1.213 -2.440 100 H VAL 17 H VAL 17 -7.667 3.692 -3.970 101 HA VAL 17 HA VAL 17 -8.840 6.168 -4.909 102 HB VAL 17 HB VAL 17 -6.399 6.901 -5.009 103 HG11 VAL 17 1HG1 VAL 17 -7.699 6.014 -2.444 104 HG12 VAL 17 2HG1 VAL 17 -6.237 7.001 -2.494 105 HG13 VAL 17 3HG1 VAL 17 -7.740 7.612 -3.188 106 HG21 VAL 17 3HG2 VAL 17 -5.510 4.570 -5.144 107 HG22 VAL 17 1HG2 VAL 17 -4.759 5.562 -3.894 108 HG23 VAL 17 2HG2 VAL 17 -5.966 4.355 -3.454 109 H CYS 18 H CYS 18 -6.776 3.592 -6.170 110 HA CYS 18 HA CYS 18 -7.029 4.780 -8.854 111 HB2 CYS 18 1HB CYS 18 -4.998 3.588 -9.464 112 HB3 CYS 18 2HB CYS 18 -4.705 4.571 -8.033 113 H GLY 19 H GLY 19 -7.525 1.938 -6.900 114 HA2 GLY 19 1HA GLY 19 -9.173 0.312 -7.376 115 HA3 GLY 19 2HA GLY 19 -9.110 0.779 -9.069 116 H LYS 20 H LYS 20 -6.128 0.271 -7.413 117 HA LYS 20 HA LYS 20 -5.302 -1.743 -9.218 118 HB2 LYS 20 1HB LYS 20 -4.175 -0.487 -6.761 119 HB3 LYS 20 2HB LYS 20 -3.476 -2.009 -7.298 120 HG2 LYS 20 1HG LYS 20 -3.819 0.227 -9.243 121 HG3 LYS 20 2HG LYS 20 -2.470 0.245 -8.105 122 HD2 LYS 20 1HD LYS 20 -2.144 -2.221 -8.959 123 HD3 LYS 20 2HD LYS 20 -3.035 -1.622 -10.360 124 HE2 LYS 20 1HE LYS 20 -0.734 -0.042 -9.308 125 HE3 LYS 20 2HE LYS 20 -0.416 -1.483 -10.271 126 HZ1 LYS 20 3HZ LYS 20 -1.037 1.048 -11.195 127 HZ2 LYS 20 1HZ LYS 20 -2.401 0.100 -11.514 128 HZ3 LYS 20 2HZ LYS 20 -0.889 -0.368 -12.109 129 H ALA 21 H ALA 21 -4.218 -3.815 -8.185 130 HA ALA 21 HA ALA 21 -5.857 -5.026 -6.116 131 HB1 ALA 21 3HB ALA 21 -5.905 -5.927 -8.976 132 HB2 ALA 21 1HB ALA 21 -6.245 -7.042 -7.652 133 HB3 ALA 21 2HB ALA 21 -7.258 -5.617 -7.887 134 H PHE 22 H PHE 22 -4.859 -6.717 -5.070 135 HA PHE 22 HA PHE 22 -2.407 -7.840 -6.144 136 HB2 PHE 22 1HB PHE 22 -2.266 -6.636 -3.396 137 HB3 PHE 22 2HB PHE 22 -0.950 -7.106 -4.467 138 HD1 PHE 22 HD2 PHE 22 -3.674 -4.627 -4.044 139 HD2 PHE 22 HD1 PHE 22 0.060 -5.544 -5.870 140 HE1 PHE 22 HE2 PHE 22 -3.493 -2.303 -4.831 141 HE2 PHE 22 HE1 PHE 22 0.247 -3.221 -6.660 142 HZ PHE 22 HZ PHE 22 -1.531 -1.598 -6.142 143 H ARG 23 H ARG 23 -2.639 -9.950 -5.870 144 HA ARG 23 HA ARG 23 -4.516 -11.204 -4.266 145 HB2 ARG 23 1HB ARG 23 -3.175 -13.267 -4.606 146 HB3 ARG 23 2HB ARG 23 -3.460 -12.373 -6.093 147 HG2 ARG 23 1HG ARG 23 -1.182 -11.373 -5.827 148 HG3 ARG 23 2HG ARG 23 -0.922 -12.490 -4.486 149 HD2 ARG 23 1HD ARG 23 -0.034 -13.732 -6.177 150 HD3 ARG 23 2HD ARG 23 -1.713 -14.259 -6.288 151 HE ARG 23 HE ARG 23 -1.685 -12.193 -7.983 152 HH11 ARG 23 1HH1 ARG 23 0.483 -14.890 -7.606 153 HH12 ARG 23 2HH1 ARG 23 0.928 -14.934 -9.280 154 HH21 ARG 23 1HH2 ARG 23 -1.107 -12.239 -10.189 155 HH22 ARG 23 2HH2 ARG 23 0.024 -13.425 -10.748 156 H VAL 24 H VAL 24 -1.493 -9.836 -3.399 157 HA VAL 24 HA VAL 24 -1.628 -11.132 -0.755 158 HB VAL 24 HB VAL 24 0.694 -10.933 -0.506 159 HG11 VAL 24 1HG1 VAL 24 -0.319 -12.408 -2.529 160 HG12 VAL 24 2HG1 VAL 24 0.871 -11.439 -3.401 161 HG13 VAL 24 3HG1 VAL 24 1.374 -12.439 -2.038 162 HG21 VAL 24 3HG2 VAL 24 2.138 -9.607 -1.928 163 HG22 VAL 24 1HG2 VAL 24 0.768 -9.157 -2.943 164 HG23 VAL 24 2HG2 VAL 24 0.852 -8.593 -1.274 165 H SER 25 H SER 25 -1.325 -9.860 1.101 166 HA SER 25 HA SER 25 -2.448 -7.251 0.948 167 HB2 SER 25 1HB SER 25 -2.827 -8.688 2.894 168 HB3 SER 25 2HB SER 25 -1.103 -8.661 3.267 169 HG SER 25 HG SER 25 -2.980 -6.916 3.989 170 H SER 26 H SER 26 0.787 -8.408 1.893 171 HA SER 26 HA SER 26 2.067 -6.079 2.445 172 HB2 SER 26 1HB SER 26 3.299 -8.100 2.646 173 HB3 SER 26 2HB SER 26 3.069 -8.498 0.943 174 HG SER 26 HG SER 26 4.675 -6.441 2.046 175 H HIS 27 H HIS 27 2.433 -7.509 -0.793 176 HA HIS 27 HA HIS 27 3.472 -5.486 -2.192 177 HB2 HIS 27 1HB HIS 27 1.157 -7.208 -3.100 178 HB3 HIS 27 2HB HIS 27 2.161 -6.239 -4.174 179 HD2 HIS 27 HD2 HIS 27 4.675 -7.600 -1.885 180 HE1 HIS 27 HE1 HIS 27 4.108 -10.701 -4.724 181 HE2 HIS 27 HE2 HIS 27 5.530 -9.852 -2.826 182 H LEU 28 H LEU 28 -0.041 -5.797 -1.663 183 HA LEU 28 HA LEU 28 -0.810 -3.420 -2.886 184 HB2 LEU 28 1HB LEU 28 -2.502 -4.951 -2.352 185 HB3 LEU 28 2HB LEU 28 -2.003 -5.044 -0.665 186 HG LEU 28 HG LEU 28 -2.856 -2.770 -0.299 187 HD11 LEU 28 1HD1 LEU 28 -2.537 -2.241 -2.837 188 HD12 LEU 28 2HD1 LEU 28 -3.828 -1.464 -1.920 189 HD13 LEU 28 3HD1 LEU 28 -4.192 -2.838 -2.965 190 HD21 LEU 28 3HD2 LEU 28 -5.124 -4.185 -1.592 191 HD22 LEU 28 1HD2 LEU 28 -5.011 -3.447 0.005 192 HD23 LEU 28 2HD2 LEU 28 -4.261 -5.015 -0.296 193 H VAL 29 H VAL 29 0.247 -4.034 0.428 194 HA VAL 29 HA VAL 29 -0.323 -1.530 1.529 195 HB VAL 29 HB VAL 29 1.907 -3.448 2.212 196 HG11 VAL 29 1HG1 VAL 29 1.699 -2.210 4.474 197 HG12 VAL 29 2HG1 VAL 29 2.628 -1.461 3.173 198 HG13 VAL 29 3HG1 VAL 29 0.985 -0.914 3.514 199 HG21 VAL 29 3HG2 VAL 29 -0.954 -3.239 2.931 200 HG22 VAL 29 1HG2 VAL 29 0.080 -4.660 2.784 201 HG23 VAL 29 2HG2 VAL 29 0.161 -3.656 4.232 202 H GLN 30 H GLN 30 2.709 -2.709 0.077 203 HA GLN 30 HA GLN 30 4.154 -0.325 0.345 204 HB2 GLN 30 1HB GLN 30 4.436 -2.469 -1.768 205 HB3 GLN 30 2HB GLN 30 5.638 -1.242 -1.391 206 HG2 GLN 30 1HG GLN 30 4.736 -3.543 0.310 207 HG3 GLN 30 2HG GLN 30 6.347 -3.214 -0.326 208 HE21 GLN 30 1HE2 GLN 30 3.944 -2.258 2.024 209 HE22 GLN 30 2HE2 GLN 30 5.025 -1.413 3.074 210 H HIS 31 H HIS 31 1.732 -1.294 -1.938 211 HA HIS 31 HA HIS 31 2.361 0.772 -3.852 212 HB2 HIS 31 1HB HIS 31 1.381 -0.959 -4.985 213 HB3 HIS 31 2HB HIS 31 0.350 -1.406 -3.629 214 HD1 HIS 31 HD1 HIS 31 0.557 1.119 -6.432 215 HD2 HIS 31 HD2 HIS 31 -2.205 -0.411 -3.731 216 HE1 HIS 31 HE1 HIS 31 -1.668 2.047 -7.147 217 H HIS 32 H HIS 32 0.505 0.493 -0.985 218 HA HIS 32 HA HIS 32 -1.417 2.521 -1.523 219 HB2 HIS 32 1HB HIS 32 -0.500 1.019 0.877 220 HB3 HIS 32 2HB HIS 32 -1.349 2.538 1.150 221 HD2 HIS 32 HD2 HIS 32 -2.340 -0.924 1.214 222 HE1 HIS 32 HE1 HIS 32 -5.550 0.915 -0.863 223 HE2 HIS 32 HE2 HIS 32 -4.803 -1.104 0.444 224 H SER 33 H SER 33 1.829 2.766 -1.335 225 HA SER 33 HA SER 33 1.735 5.459 -0.140 226 HB2 SER 33 1HB SER 33 4.165 5.186 0.286 227 HB3 SER 33 2HB SER 33 3.198 3.968 1.117 228 HG SER 33 HG SER 33 4.044 3.274 -1.418 229 H VAL 34 H VAL 34 1.473 4.179 -3.010 230 HA VAL 34 HA VAL 34 3.554 5.610 -4.433 231 HB VAL 34 HB VAL 34 2.783 4.587 -6.400 232 HG11 VAL 34 1HG1 VAL 34 3.719 2.758 -5.496 233 HG12 VAL 34 2HG1 VAL 34 2.837 2.935 -3.978 234 HG13 VAL 34 3HG1 VAL 34 2.059 2.178 -5.369 235 HG21 VAL 34 3HG2 VAL 34 0.199 3.974 -4.968 236 HG22 VAL 34 1HG2 VAL 34 0.433 5.206 -6.208 237 HG23 VAL 34 2HG2 VAL 34 0.599 3.499 -6.618 238 H HIS 35 H HIS 35 0.345 6.171 -3.368 239 HA HIS 35 HA HIS 35 -0.079 8.338 -5.283 240 HB2 HIS 35 1HB HIS 35 -1.993 7.591 -3.091 241 HB3 HIS 35 2HB HIS 35 -2.336 8.331 -4.651 242 HD1 HIS 35 HD1 HIS 35 -1.695 6.585 -6.754 243 HD2 HIS 35 HD2 HIS 35 -2.636 4.974 -3.042 244 HE1 HIS 35 HE1 HIS 35 -2.337 4.195 -7.202 245 H SER 36 H SER 36 1.976 8.466 -3.182 246 HA SER 36 HA SER 36 0.986 10.353 -1.231 247 HB2 SER 36 1HB SER 36 2.769 8.697 -0.687 248 HB3 SER 36 2HB SER 36 3.843 9.534 -1.808 249 HG SER 36 HG SER 36 2.573 10.883 0.324 250 H GLY 37 H GLY 37 2.536 12.357 -0.903 251 HA2 GLY 37 1HA GLY 37 2.501 13.786 -3.476 252 HA3 GLY 37 2HA GLY 37 2.397 14.540 -1.892 253 H GLU 38 H GLU 38 4.286 14.635 -4.363 254 HA GLU 38 HA GLU 38 6.761 14.607 -2.768 255 HB2 GLU 38 1HB GLU 38 6.569 13.917 -5.704 256 HB3 GLU 38 2HB GLU 38 8.014 13.868 -4.704 257 HG2 GLU 38 1HG GLU 38 5.686 12.215 -3.890 258 HG3 GLU 38 2HG GLU 38 6.646 11.694 -5.274 259 H ARG 39 H ARG 39 4.599 16.557 -4.110 260 HA ARG 39 HA ARG 39 6.565 18.664 -4.557 261 HB2 ARG 39 1HB ARG 39 4.603 17.676 -6.596 262 HB3 ARG 39 2HB ARG 39 5.057 19.375 -6.574 263 HG2 ARG 39 1HG ARG 39 7.373 18.809 -6.916 264 HG3 ARG 39 2HG ARG 39 7.001 17.088 -6.798 265 HD2 ARG 39 1HD ARG 39 5.874 17.070 -8.843 266 HD3 ARG 39 2HD ARG 39 5.671 18.822 -8.849 267 HE ARG 39 HE ARG 39 7.710 19.004 -9.854 268 HH11 ARG 39 1HH1 ARG 39 7.477 15.869 -8.359 269 HH12 ARG 39 2HH1 ARG 39 8.977 15.300 -9.016 270 HH21 ARG 39 1HH2 ARG 39 9.686 18.267 -10.724 271 HH22 ARG 39 2HH2 ARG 39 10.232 16.665 -10.360 272 HA PRO 40 HA PRO 40 3.699 21.155 -2.357 273 HB2 PRO 40 1HB PRO 40 4.175 23.598 -3.441 274 HB3 PRO 40 2HB PRO 40 5.309 22.794 -2.349 275 HG2 PRO 40 1HG PRO 40 5.347 22.953 -5.339 276 HG3 PRO 40 2HG PRO 40 6.688 23.129 -4.191 277 HD2 PRO 40 1HD PRO 40 6.234 20.838 -5.561 278 HD3 PRO 40 2HD PRO 40 6.926 20.851 -3.926 279 H SER 41 H SER 41 2.002 22.950 -2.752 280 HA SER 41 HA SER 41 -0.109 23.315 -3.555 281 HB2 SER 41 1HB SER 41 -0.168 24.238 -5.761 282 HB3 SER 41 2HB SER 41 1.409 24.646 -5.086 283 HG SER 41 HG SER 41 0.858 22.483 -6.843 284 H GLY 42 H GLY 42 0.414 20.581 -3.169 285 HA2 GLY 42 1HA GLY 42 -0.807 18.649 -3.558 286 HA3 GLY 42 2HA GLY 42 -1.609 19.463 -4.893 287 HA PRO 43 HA PRO 43 1.679 16.343 -6.330 288 HB2 PRO 43 1HB PRO 43 0.003 14.394 -7.203 289 HB3 PRO 43 2HB PRO 43 0.648 14.441 -5.558 290 HG2 PRO 43 1HG PRO 43 -2.028 15.324 -6.569 291 HG3 PRO 43 2HG PRO 43 -1.632 14.415 -5.099 292 HD2 PRO 43 1HD PRO 43 -2.153 17.072 -5.073 293 HD3 PRO 43 2HD PRO 43 -1.016 16.311 -3.942 294 H SER 44 H SER 44 1.888 15.519 -8.583 295 HA SER 44 HA SER 44 0.966 17.514 -10.433 296 HB2 SER 44 1HB SER 44 3.241 16.580 -10.587 297 HB3 SER 44 2HB SER 44 2.563 14.989 -10.932 298 HG SER 44 HG SER 44 3.239 16.566 -12.734 299 H SER 45 H SER 45 -0.616 17.376 -11.919 300 HA SER 45 HA SER 45 -1.688 14.939 -12.900 301 HB2 SER 45 1HB SER 45 -3.911 15.040 -11.885 302 HB3 SER 45 2HB SER 45 -2.678 14.877 -10.634 303 HG SER 45 HG SER 45 -4.519 16.755 -10.856 304 H GLY 46 H GLY 46 -3.903 15.436 -14.043 305 HA2 GLY 46 1HA GLY 46 -5.141 16.760 -15.482 306 HA3 GLY 46 2HA GLY 46 -4.279 18.165 -14.872 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -10.035 -0.058 -24.194 2 HA2 GLY 1 1HA GLY 1 -7.442 -1.301 -24.863 3 HA3 GLY 1 2HA GLY 1 -7.996 -1.191 -23.199 4 H SER 2 H SER 2 -7.763 -3.518 -23.159 5 HA SER 2 HA SER 2 -9.870 -4.958 -24.617 6 HB2 SER 2 1HB SER 2 -7.725 -5.930 -25.031 7 HB3 SER 2 2HB SER 2 -7.312 -5.907 -23.316 8 HG SER 2 HG SER 2 -8.569 -7.615 -22.968 9 H SER 3 H SER 3 -11.674 -4.790 -23.394 10 HA SER 3 HA SER 3 -11.480 -5.437 -20.534 11 HB2 SER 3 1HB SER 3 -12.581 -3.268 -21.321 12 HB3 SER 3 2HB SER 3 -13.891 -4.278 -21.932 13 HG SER 3 HG SER 3 -14.499 -3.759 -19.903 14 H GLY 4 H GLY 4 -13.017 -6.883 -19.587 15 HA2 GLY 4 1HA GLY 4 -15.024 -8.326 -20.635 16 HA3 GLY 4 2HA GLY 4 -13.621 -9.117 -21.336 17 H SER 5 H SER 5 -15.310 -10.557 -19.760 18 HA SER 5 HA SER 5 -14.065 -10.692 -17.112 19 HB2 SER 5 1HB SER 5 -16.431 -10.720 -16.950 20 HB3 SER 5 2HB SER 5 -16.586 -11.884 -18.266 21 HG SER 5 HG SER 5 -16.371 -12.363 -15.661 22 H SER 6 H SER 6 -12.085 -11.628 -17.655 23 HA SER 6 HA SER 6 -12.243 -14.497 -18.225 24 HB2 SER 6 1HB SER 6 -10.600 -14.456 -19.918 25 HB3 SER 6 2HB SER 6 -11.672 -13.114 -20.319 26 HG SER 6 HG SER 6 -9.159 -12.909 -20.133 27 H GLY 7 H GLY 7 -10.713 -15.740 -17.197 28 HA2 GLY 7 1HA GLY 7 -8.333 -15.504 -16.217 29 HA3 GLY 7 2HA GLY 7 -9.109 -14.312 -15.185 30 H THR 8 H THR 8 -8.029 -16.027 -13.686 31 HA THR 8 HA THR 8 -9.708 -18.366 -13.260 32 HB THR 8 HB THR 8 -7.260 -18.598 -13.069 33 HG1 THR 8 HG1 THR 8 -7.471 -19.980 -11.425 34 HG21 THR 8 3HG2 THR 8 -7.452 -16.961 -10.548 35 HG22 THR 8 1HG2 THR 8 -6.942 -16.279 -12.091 36 HG23 THR 8 2HG2 THR 8 -6.001 -17.570 -11.343 37 H GLY 9 H GLY 9 -8.818 -15.366 -11.598 38 HA2 GLY 9 1HA GLY 9 -11.305 -15.068 -10.337 39 HA3 GLY 9 2HA GLY 9 -10.213 -15.848 -9.203 40 H GLU 10 H GLU 10 -11.505 -13.029 -9.652 41 HA GLU 10 HA GLU 10 -9.342 -11.218 -9.889 42 HB2 GLU 10 1HB GLU 10 -12.172 -11.014 -8.936 43 HB3 GLU 10 2HB GLU 10 -11.067 -9.678 -8.645 44 HG2 GLU 10 1HG GLU 10 -11.305 -10.805 -11.392 45 HG3 GLU 10 2HG GLU 10 -12.560 -9.729 -10.780 46 H LYS 11 H LYS 11 -7.958 -10.408 -8.424 47 HA LYS 11 HA LYS 11 -7.320 -11.702 -6.089 48 HB2 LYS 11 1HB LYS 11 -6.878 -8.817 -6.863 49 HB3 LYS 11 2HB LYS 11 -6.157 -9.553 -5.437 50 HG2 LYS 11 1HG LYS 11 -4.687 -10.799 -6.649 51 HG3 LYS 11 2HG LYS 11 -5.759 -10.907 -8.047 52 HD2 LYS 11 1HD LYS 11 -5.319 -8.508 -8.505 53 HD3 LYS 11 2HD LYS 11 -4.157 -8.502 -7.177 54 HE2 LYS 11 1HE LYS 11 -2.772 -10.102 -8.304 55 HE3 LYS 11 2HE LYS 11 -3.986 -10.339 -9.560 56 HZ1 LYS 11 3HZ LYS 11 -2.233 -8.009 -9.109 57 HZ2 LYS 11 1HZ LYS 11 -3.669 -7.852 -9.989 58 HZ3 LYS 11 2HZ LYS 11 -2.461 -8.908 -10.524 59 HA PRO 12 HA PRO 12 -10.367 -10.609 -3.110 60 HB2 PRO 12 1HB PRO 12 -8.910 -10.922 -0.841 61 HB3 PRO 12 2HB PRO 12 -9.487 -12.285 -1.808 62 HG2 PRO 12 1HG PRO 12 -6.781 -11.006 -1.761 63 HG3 PRO 12 2HG PRO 12 -7.204 -12.727 -1.804 64 HD2 PRO 12 1HD PRO 12 -6.440 -11.358 -4.012 65 HD3 PRO 12 2HD PRO 12 -7.599 -12.701 -4.075 66 H TYR 13 H TYR 13 -7.241 -9.007 -3.088 67 HA TYR 13 HA TYR 13 -8.404 -6.750 -1.606 68 HB2 TYR 13 1HB TYR 13 -5.483 -6.976 -2.233 69 HB3 TYR 13 2HB TYR 13 -6.271 -6.175 -0.879 70 HD1 TYR 13 HD2 TYR 13 -8.071 -8.481 -0.060 71 HD2 TYR 13 HD1 TYR 13 -3.936 -8.321 -1.049 72 HE1 TYR 13 HE2 TYR 13 -7.664 -10.457 1.347 73 HE2 TYR 13 HE1 TYR 13 -3.518 -10.297 0.355 74 HH TYR 13 HH TYR 13 -4.412 -11.855 1.655 75 H LYS 14 H LYS 14 -8.451 -4.711 -2.456 76 HA LYS 14 HA LYS 14 -7.166 -4.105 -4.969 77 HB2 LYS 14 1HB LYS 14 -9.114 -5.181 -5.855 78 HB3 LYS 14 2HB LYS 14 -10.169 -4.311 -4.749 79 HG2 LYS 14 1HG LYS 14 -9.119 -2.217 -5.985 80 HG3 LYS 14 2HG LYS 14 -8.895 -3.409 -7.268 81 HD2 LYS 14 1HD LYS 14 -11.417 -3.972 -6.664 82 HD3 LYS 14 2HD LYS 14 -11.398 -2.295 -6.114 83 HE2 LYS 14 1HE LYS 14 -10.515 -1.636 -8.340 84 HE3 LYS 14 2HE LYS 14 -10.700 -3.308 -8.868 85 HZ1 LYS 14 3HZ LYS 14 -13.053 -3.161 -8.535 86 HZ2 LYS 14 1HZ LYS 14 -12.572 -1.863 -9.508 87 HZ3 LYS 14 2HZ LYS 14 -12.923 -1.610 -7.873 88 H CYS 15 H CYS 15 -6.619 -2.015 -5.031 89 HA CYS 15 HA CYS 15 -6.976 -0.306 -2.868 90 HB2 CYS 15 1HB CYS 15 -5.354 -0.239 -4.971 91 HB3 CYS 15 2HB CYS 15 -6.573 0.877 -5.577 92 H GLN 16 H GLN 16 -7.907 2.023 -3.233 93 HA GLN 16 HA GLN 16 -10.598 1.781 -4.402 94 HB2 GLN 16 1HB GLN 16 -9.975 3.317 -1.882 95 HB3 GLN 16 2HB GLN 16 -11.559 2.946 -2.551 96 HG2 GLN 16 1HG GLN 16 -9.718 0.741 -1.735 97 HG3 GLN 16 2HG GLN 16 -10.673 1.602 -0.528 98 HE21 GLN 16 1HE2 GLN 16 -10.654 -0.814 -2.903 99 HE22 GLN 16 2HE2 GLN 16 -12.334 -1.214 -2.855 100 H VAL 17 H VAL 17 -7.784 3.719 -3.814 101 HA VAL 17 HA VAL 17 -8.924 6.165 -4.818 102 HB VAL 17 HB VAL 17 -6.529 6.954 -4.815 103 HG11 VAL 17 1HG1 VAL 17 -7.837 5.867 -2.339 104 HG12 VAL 17 2HG1 VAL 17 -6.350 6.815 -2.276 105 HG13 VAL 17 3HG1 VAL 17 -7.822 7.525 -2.939 106 HG21 VAL 17 3HG2 VAL 17 -6.008 4.303 -3.476 107 HG22 VAL 17 1HG2 VAL 17 -5.534 4.701 -5.128 108 HG23 VAL 17 2HG2 VAL 17 -4.842 5.592 -3.772 109 H CYS 18 H CYS 18 -6.824 3.611 -6.064 110 HA CYS 18 HA CYS 18 -7.019 4.833 -8.737 111 HB2 CYS 18 1HB CYS 18 -4.961 3.723 -9.319 112 HB3 CYS 18 2HB CYS 18 -4.713 4.592 -7.808 113 H GLY 19 H GLY 19 -7.508 1.943 -6.840 114 HA2 GLY 19 1HA GLY 19 -9.127 0.304 -7.358 115 HA3 GLY 19 2HA GLY 19 -9.079 0.822 -9.037 116 H LYS 20 H LYS 20 -6.126 0.242 -7.307 117 HA LYS 20 HA LYS 20 -5.270 -1.694 -9.208 118 HB2 LYS 20 1HB LYS 20 -4.138 -0.445 -6.758 119 HB3 LYS 20 2HB LYS 20 -3.438 -1.972 -7.277 120 HG2 LYS 20 1HG LYS 20 -3.762 0.325 -9.174 121 HG3 LYS 20 2HG LYS 20 -2.361 0.188 -8.109 122 HD2 LYS 20 1HD LYS 20 -3.176 -2.124 -9.824 123 HD3 LYS 20 2HD LYS 20 -2.252 -0.790 -10.519 124 HE2 LYS 20 1HE LYS 20 -0.730 -1.183 -8.410 125 HE3 LYS 20 2HE LYS 20 -1.458 -2.788 -8.453 126 HZ1 LYS 20 3HZ LYS 20 -0.595 -1.977 -11.038 127 HZ2 LYS 20 1HZ LYS 20 -0.175 -3.356 -10.153 128 HZ3 LYS 20 2HZ LYS 20 0.684 -1.915 -9.933 129 H ALA 21 H ALA 21 -4.145 -3.769 -8.214 130 HA ALA 21 HA ALA 21 -5.788 -5.042 -6.179 131 HB1 ALA 21 3HB ALA 21 -6.308 -6.977 -7.600 132 HB2 ALA 21 1HB ALA 21 -7.043 -5.492 -8.205 133 HB3 ALA 21 2HB ALA 21 -5.597 -6.140 -8.981 134 H PHE 22 H PHE 22 -4.767 -6.710 -5.122 135 HA PHE 22 HA PHE 22 -2.260 -7.756 -6.146 136 HB2 PHE 22 1HB PHE 22 -2.250 -6.531 -3.398 137 HB3 PHE 22 2HB PHE 22 -0.878 -7.029 -4.382 138 HD1 PHE 22 HD2 PHE 22 -3.559 -4.504 -4.066 139 HD2 PHE 22 HD1 PHE 22 0.156 -5.535 -5.870 140 HE1 PHE 22 HE2 PHE 22 -3.328 -2.201 -4.899 141 HE2 PHE 22 HE1 PHE 22 0.394 -3.233 -6.705 142 HZ PHE 22 HZ PHE 22 -1.350 -1.563 -6.221 143 H ARG 23 H ARG 23 -2.660 -9.866 -6.000 144 HA ARG 23 HA ARG 23 -4.468 -11.174 -4.414 145 HB2 ARG 23 1HB ARG 23 -2.925 -13.193 -4.684 146 HB3 ARG 23 2HB ARG 23 -3.485 -12.412 -6.157 147 HG2 ARG 23 1HG ARG 23 -1.340 -11.201 -6.292 148 HG3 ARG 23 2HG ARG 23 -0.784 -12.085 -4.869 149 HD2 ARG 23 1HD ARG 23 -1.369 -14.197 -6.220 150 HD3 ARG 23 2HD ARG 23 -1.384 -13.122 -7.618 151 HE ARG 23 HE ARG 23 0.891 -13.146 -7.572 152 HH11 ARG 23 1HH1 ARG 23 -0.282 -14.007 -4.410 153 HH12 ARG 23 2HH1 ARG 23 1.295 -14.333 -3.771 154 HH21 ARG 23 1HH2 ARG 23 2.973 -13.572 -6.743 155 HH22 ARG 23 2HH2 ARG 23 3.146 -14.085 -5.098 156 H VAL 24 H VAL 24 -1.504 -9.756 -3.456 157 HA VAL 24 HA VAL 24 -1.633 -11.134 -0.854 158 HB VAL 24 HB VAL 24 0.684 -10.720 -0.533 159 HG11 VAL 24 1HG1 VAL 24 -0.282 -12.170 -2.771 160 HG12 VAL 24 2HG1 VAL 24 1.256 -11.430 -3.222 161 HG13 VAL 24 3HG1 VAL 24 1.160 -12.475 -1.803 162 HG21 VAL 24 3HG2 VAL 24 2.052 -9.362 -1.933 163 HG22 VAL 24 1HG2 VAL 24 0.758 -9.174 -3.117 164 HG23 VAL 24 2HG2 VAL 24 0.619 -8.415 -1.531 165 H SER 25 H SER 25 -1.195 -9.861 1.050 166 HA SER 25 HA SER 25 -2.504 -7.300 0.943 167 HB2 SER 25 1HB SER 25 -2.990 -8.733 2.822 168 HB3 SER 25 2HB SER 25 -1.279 -8.856 3.231 169 HG SER 25 HG SER 25 -2.549 -6.345 3.142 170 H SER 26 H SER 26 0.756 -8.481 1.665 171 HA SER 26 HA SER 26 1.950 -6.115 2.463 172 HB2 SER 26 1HB SER 26 3.231 -8.092 2.679 173 HB3 SER 26 2HB SER 26 3.037 -8.502 0.975 174 HG SER 26 HG SER 26 4.498 -6.291 1.996 175 H HIS 27 H HIS 27 2.414 -7.473 -0.797 176 HA HIS 27 HA HIS 27 3.484 -5.397 -2.110 177 HB2 HIS 27 1HB HIS 27 1.246 -7.153 -3.138 178 HB3 HIS 27 2HB HIS 27 2.262 -6.136 -4.155 179 HD2 HIS 27 HD2 HIS 27 4.623 -7.589 -1.692 180 HE1 HIS 27 HE1 HIS 27 4.420 -10.456 -4.812 181 HE2 HIS 27 HE2 HIS 27 5.621 -9.745 -2.716 182 H LEU 28 H LEU 28 -0.021 -5.777 -1.609 183 HA LEU 28 HA LEU 28 -0.845 -3.433 -2.863 184 HB2 LEU 28 1HB LEU 28 -2.571 -4.864 -2.343 185 HB3 LEU 28 2HB LEU 28 -1.973 -5.160 -0.712 186 HG LEU 28 HG LEU 28 -2.746 -2.911 -0.052 187 HD11 LEU 28 1HD1 LEU 28 -2.778 -1.559 -1.903 188 HD12 LEU 28 2HD1 LEU 28 -4.489 -1.958 -1.756 189 HD13 LEU 28 3HD1 LEU 28 -3.486 -2.801 -2.936 190 HD21 LEU 28 3HD2 LEU 28 -4.152 -5.043 0.064 191 HD22 LEU 28 1HD2 LEU 28 -5.023 -4.395 -1.327 192 HD23 LEU 28 2HD2 LEU 28 -4.999 -3.500 0.193 193 H VAL 29 H VAL 29 0.306 -3.974 0.424 194 HA VAL 29 HA VAL 29 -0.331 -1.474 1.513 195 HB VAL 29 HB VAL 29 1.970 -3.313 2.182 196 HG11 VAL 29 1HG1 VAL 29 1.224 -1.799 4.424 197 HG12 VAL 29 2HG1 VAL 29 2.734 -1.709 3.515 198 HG13 VAL 29 3HG1 VAL 29 1.384 -0.656 3.090 199 HG21 VAL 29 3HG2 VAL 29 0.322 -4.613 2.949 200 HG22 VAL 29 1HG2 VAL 29 0.121 -3.408 4.221 201 HG23 VAL 29 2HG2 VAL 29 -0.881 -3.335 2.771 202 H GLN 30 H GLN 30 2.827 -2.573 0.259 203 HA GLN 30 HA GLN 30 4.150 -0.143 0.398 204 HB2 GLN 30 1HB GLN 30 4.511 -2.333 -1.654 205 HB3 GLN 30 2HB GLN 30 5.666 -1.049 -1.325 206 HG2 GLN 30 1HG GLN 30 4.836 -3.287 0.499 207 HG3 GLN 30 2HG GLN 30 6.422 -3.003 -0.217 208 HE21 GLN 30 1HE2 GLN 30 4.077 -1.766 2.088 209 HE22 GLN 30 2HE2 GLN 30 5.214 -0.919 3.074 210 H HIS 31 H HIS 31 1.723 -1.197 -1.818 211 HA HIS 31 HA HIS 31 2.311 0.784 -3.828 212 HB2 HIS 31 1HB HIS 31 1.284 -0.993 -4.848 213 HB3 HIS 31 2HB HIS 31 0.273 -1.351 -3.451 214 HD1 HIS 31 HD1 HIS 31 0.483 1.102 -6.328 215 HD2 HIS 31 HD2 HIS 31 -2.279 -0.390 -3.608 216 HE1 HIS 31 HE1 HIS 31 -1.742 2.017 -7.060 217 H HIS 32 H HIS 32 0.426 0.589 -0.944 218 HA HIS 32 HA HIS 32 -1.425 2.663 -1.522 219 HB2 HIS 32 1HB HIS 32 -0.518 1.261 0.961 220 HB3 HIS 32 2HB HIS 32 -1.467 2.737 1.110 221 HD2 HIS 32 HD2 HIS 32 -2.314 -0.701 1.461 222 HE1 HIS 32 HE1 HIS 32 -5.426 0.695 -1.062 223 HE2 HIS 32 HE2 HIS 32 -4.695 -1.109 0.536 224 H SER 33 H SER 33 1.849 2.791 -1.213 225 HA SER 33 HA SER 33 1.808 5.518 -0.102 226 HB2 SER 33 1HB SER 33 4.013 5.217 0.666 227 HB3 SER 33 2HB SER 33 3.233 3.672 1.004 228 HG SER 33 HG SER 33 5.362 4.176 -0.542 229 H VAL 34 H VAL 34 1.626 4.115 -2.963 230 HA VAL 34 HA VAL 34 3.721 5.536 -4.369 231 HB VAL 34 HB VAL 34 3.014 4.450 -6.325 232 HG11 VAL 34 1HG1 VAL 34 4.014 2.771 -5.110 233 HG12 VAL 34 2HG1 VAL 34 2.753 2.765 -3.875 234 HG13 VAL 34 3HG1 VAL 34 2.443 2.051 -5.458 235 HG21 VAL 34 3HG2 VAL 34 0.828 4.578 -6.784 236 HG22 VAL 34 1HG2 VAL 34 0.679 3.072 -5.880 237 HG23 VAL 34 2HG2 VAL 34 0.383 4.614 -5.078 238 H HIS 35 H HIS 35 0.457 6.074 -3.439 239 HA HIS 35 HA HIS 35 -0.038 8.095 -5.456 240 HB2 HIS 35 1HB HIS 35 -1.717 7.521 -3.016 241 HB3 HIS 35 2HB HIS 35 -2.221 8.290 -4.518 242 HD1 HIS 35 HD1 HIS 35 -1.633 6.448 -6.676 243 HD2 HIS 35 HD2 HIS 35 -2.718 5.026 -2.926 244 HE1 HIS 35 HE1 HIS 35 -2.483 4.112 -7.062 245 H SER 36 H SER 36 0.641 7.939 -1.992 246 HA SER 36 HA SER 36 0.234 10.445 -1.100 247 HB2 SER 36 1HB SER 36 2.469 8.518 -0.590 248 HB3 SER 36 2HB SER 36 2.542 10.128 0.127 249 HG SER 36 HG SER 36 0.753 9.705 1.295 250 H GLY 37 H GLY 37 3.265 9.474 -2.723 251 HA2 GLY 37 1HA GLY 37 3.398 11.873 -4.251 252 HA3 GLY 37 2HA GLY 37 4.466 11.961 -2.858 253 H GLU 38 H GLU 38 3.620 9.594 -5.393 254 HA GLU 38 HA GLU 38 6.505 9.197 -5.828 255 HB2 GLU 38 1HB GLU 38 5.182 7.323 -4.574 256 HB3 GLU 38 2HB GLU 38 4.560 6.942 -6.174 257 HG2 GLU 38 1HG GLU 38 7.090 6.953 -6.832 258 HG3 GLU 38 2HG GLU 38 7.326 6.689 -5.105 259 H ARG 39 H ARG 39 6.411 10.619 -7.604 260 HA ARG 39 HA ARG 39 4.833 9.667 -9.899 261 HB2 ARG 39 1HB ARG 39 5.983 12.392 -9.287 262 HB3 ARG 39 2HB ARG 39 5.251 11.966 -10.829 263 HG2 ARG 39 1HG ARG 39 3.138 11.954 -9.984 264 HG3 ARG 39 2HG ARG 39 3.668 11.490 -8.366 265 HD2 ARG 39 1HD ARG 39 4.130 13.644 -7.751 266 HD3 ARG 39 2HD ARG 39 4.490 14.151 -9.401 267 HE ARG 39 HE ARG 39 1.901 14.118 -8.109 268 HH11 ARG 39 1HH1 ARG 39 3.664 14.300 -11.105 269 HH12 ARG 39 2HH1 ARG 39 2.365 15.047 -11.975 270 HH21 ARG 39 1HH2 ARG 39 0.184 15.101 -9.243 271 HH22 ARG 39 2HH2 ARG 39 0.386 15.503 -10.915 272 HA PRO 40 HA PRO 40 8.549 8.401 -11.898 273 HB2 PRO 40 1HB PRO 40 7.668 8.426 -14.466 274 HB3 PRO 40 2HB PRO 40 7.196 7.183 -13.301 275 HG2 PRO 40 1HG PRO 40 5.697 9.619 -14.183 276 HG3 PRO 40 2HG PRO 40 5.099 7.970 -13.926 277 HD2 PRO 40 1HD PRO 40 4.757 9.944 -12.104 278 HD3 PRO 40 2HD PRO 40 4.960 8.242 -11.642 279 H SER 41 H SER 41 7.003 11.421 -12.530 280 HA SER 41 HA SER 41 8.998 12.404 -14.356 281 HB2 SER 41 1HB SER 41 7.796 14.490 -14.277 282 HB3 SER 41 2HB SER 41 6.610 13.186 -14.340 283 HG SER 41 HG SER 41 5.971 14.597 -12.750 284 H GLY 42 H GLY 42 10.404 14.217 -13.915 285 HA2 GLY 42 1HA GLY 42 10.949 14.862 -11.135 286 HA3 GLY 42 2HA GLY 42 12.213 13.960 -11.958 287 HA PRO 43 HA PRO 43 13.272 18.361 -12.609 288 HB2 PRO 43 1HB PRO 43 15.952 17.930 -12.605 289 HB3 PRO 43 2HB PRO 43 15.010 18.140 -11.124 290 HG2 PRO 43 1HG PRO 43 15.968 15.616 -12.419 291 HG3 PRO 43 2HG PRO 43 15.972 16.065 -10.703 292 HD2 PRO 43 1HD PRO 43 14.097 14.434 -11.778 293 HD3 PRO 43 2HD PRO 43 13.746 15.533 -10.430 294 H SER 44 H SER 44 13.095 19.070 -14.633 295 HA SER 44 HA SER 44 14.271 17.481 -16.807 296 HB2 SER 44 1HB SER 44 12.134 19.624 -16.915 297 HB3 SER 44 2HB SER 44 12.728 18.701 -18.295 298 HG SER 44 HG SER 44 11.584 17.497 -16.000 299 H SER 45 H SER 45 13.961 20.803 -15.608 300 HA SER 45 HA SER 45 15.260 22.307 -17.408 301 HB2 SER 45 1HB SER 45 16.085 23.711 -15.597 302 HB3 SER 45 2HB SER 45 14.472 23.122 -15.197 303 HG SER 45 HG SER 45 15.905 21.327 -14.167 304 H GLY 46 H GLY 46 16.924 21.692 -18.646 305 HA2 GLY 46 1HA GLY 46 19.533 21.469 -17.524 306 HA3 GLY 46 2HA GLY 46 18.936 19.896 -18.032 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -12.271 -1.267 -29.381 2 HA2 GLY 1 1HA GLY 1 -14.268 -1.052 -27.235 3 HA3 GLY 1 2HA GLY 1 -13.622 -2.635 -27.640 4 H SER 2 H SER 2 -12.634 -3.007 -25.683 5 HA SER 2 HA SER 2 -10.219 -1.411 -25.197 6 HB2 SER 2 1HB SER 2 -12.410 -2.030 -23.242 7 HB3 SER 2 2HB SER 2 -10.751 -1.847 -22.673 8 HG SER 2 HG SER 2 -11.238 0.200 -22.677 9 H SER 3 H SER 3 -8.446 -2.593 -24.811 10 HA SER 3 HA SER 3 -8.756 -5.397 -24.002 11 HB2 SER 3 1HB SER 3 -7.325 -4.363 -26.438 12 HB3 SER 3 2HB SER 3 -6.835 -5.876 -25.677 13 HG SER 3 HG SER 3 -9.447 -5.974 -25.901 14 H GLY 4 H GLY 4 -6.422 -6.340 -23.626 15 HA2 GLY 4 1HA GLY 4 -4.188 -5.877 -22.863 16 HA3 GLY 4 2HA GLY 4 -4.736 -4.287 -22.354 17 H SER 5 H SER 5 -7.039 -4.982 -20.953 18 HA SER 5 HA SER 5 -6.055 -5.521 -18.419 19 HB2 SER 5 1HB SER 5 -8.343 -4.544 -19.142 20 HB3 SER 5 2HB SER 5 -8.879 -6.223 -19.188 21 HG SER 5 HG SER 5 -8.679 -6.368 -17.053 22 H SER 6 H SER 6 -4.856 -7.316 -18.089 23 HA SER 6 HA SER 6 -5.972 -9.911 -18.886 24 HB2 SER 6 1HB SER 6 -3.204 -8.914 -18.361 25 HB3 SER 6 2HB SER 6 -3.549 -10.622 -18.089 26 HG SER 6 HG SER 6 -2.821 -10.015 -20.262 27 H GLY 7 H GLY 7 -5.458 -11.738 -17.312 28 HA2 GLY 7 1HA GLY 7 -4.901 -11.806 -14.745 29 HA3 GLY 7 2HA GLY 7 -6.401 -10.893 -14.672 30 H THR 8 H THR 8 -5.364 -13.761 -13.956 31 HA THR 8 HA THR 8 -7.211 -15.441 -15.403 32 HB THR 8 HB THR 8 -5.073 -16.380 -14.707 33 HG1 THR 8 HG1 THR 8 -5.929 -18.269 -13.717 34 HG21 THR 8 3HG2 THR 8 -4.692 -15.088 -12.684 35 HG22 THR 8 1HG2 THR 8 -4.616 -16.811 -12.320 36 HG23 THR 8 2HG2 THR 8 -6.053 -15.883 -11.893 37 H GLY 9 H GLY 9 -6.940 -14.111 -12.128 38 HA2 GLY 9 1HA GLY 9 -9.822 -14.505 -11.801 39 HA3 GLY 9 2HA GLY 9 -8.763 -15.240 -10.606 40 H GLU 10 H GLU 10 -10.804 -13.155 -10.283 41 HA GLU 10 HA GLU 10 -9.517 -10.649 -9.895 42 HB2 GLU 10 1HB GLU 10 -12.084 -11.699 -8.693 43 HB3 GLU 10 2HB GLU 10 -11.565 -10.019 -8.690 44 HG2 GLU 10 1HG GLU 10 -13.026 -10.041 -10.451 45 HG3 GLU 10 2HG GLU 10 -11.491 -10.320 -11.272 46 H LYS 11 H LYS 11 -8.256 -9.994 -8.288 47 HA LYS 11 HA LYS 11 -7.534 -11.731 -6.158 48 HB2 LYS 11 1HB LYS 11 -6.936 -8.810 -6.650 49 HB3 LYS 11 2HB LYS 11 -6.232 -9.748 -5.339 50 HG2 LYS 11 1HG LYS 11 -4.915 -10.995 -6.755 51 HG3 LYS 11 2HG LYS 11 -5.967 -10.721 -8.146 52 HD2 LYS 11 1HD LYS 11 -5.218 -8.440 -8.327 53 HD3 LYS 11 2HD LYS 11 -4.287 -8.585 -6.834 54 HE2 LYS 11 1HE LYS 11 -2.616 -8.921 -8.346 55 HE3 LYS 11 2HE LYS 11 -3.168 -10.585 -8.158 56 HZ1 LYS 11 3HZ LYS 11 -4.683 -10.062 -10.122 57 HZ2 LYS 11 1HZ LYS 11 -3.035 -10.273 -10.443 58 HZ3 LYS 11 2HZ LYS 11 -3.692 -8.716 -10.383 59 HA PRO 12 HA PRO 12 -10.442 -10.696 -3.034 60 HB2 PRO 12 1HB PRO 12 -8.920 -10.989 -0.805 61 HB3 PRO 12 2HB PRO 12 -9.485 -12.358 -1.769 62 HG2 PRO 12 1HG PRO 12 -6.813 -11.009 -1.780 63 HG3 PRO 12 2HG PRO 12 -7.192 -12.740 -1.827 64 HD2 PRO 12 1HD PRO 12 -6.521 -11.335 -4.042 65 HD3 PRO 12 2HD PRO 12 -7.646 -12.707 -4.087 66 H TYR 13 H TYR 13 -7.328 -9.046 -2.986 67 HA TYR 13 HA TYR 13 -8.550 -6.805 -1.529 68 HB2 TYR 13 1HB TYR 13 -5.612 -7.004 -2.084 69 HB3 TYR 13 2HB TYR 13 -6.440 -6.206 -0.752 70 HD1 TYR 13 HD2 TYR 13 -8.182 -8.349 0.254 71 HD2 TYR 13 HD1 TYR 13 -4.145 -8.508 -1.083 72 HE1 TYR 13 HE2 TYR 13 -7.794 -10.316 1.678 73 HE2 TYR 13 HE1 TYR 13 -3.747 -10.477 0.336 74 HH TYR 13 HH TYR 13 -4.719 -11.492 2.391 75 H LYS 14 H LYS 14 -8.528 -4.739 -2.352 76 HA LYS 14 HA LYS 14 -7.243 -4.173 -4.882 77 HB2 LYS 14 1HB LYS 14 -9.248 -5.148 -5.743 78 HB3 LYS 14 2HB LYS 14 -10.246 -4.261 -4.598 79 HG2 LYS 14 1HG LYS 14 -9.206 -2.172 -5.802 80 HG3 LYS 14 2HG LYS 14 -8.951 -3.332 -7.109 81 HD2 LYS 14 1HD LYS 14 -11.469 -3.930 -6.616 82 HD3 LYS 14 2HD LYS 14 -11.494 -2.297 -5.946 83 HE2 LYS 14 1HE LYS 14 -10.277 -2.704 -8.629 84 HE3 LYS 14 2HE LYS 14 -12.033 -2.770 -8.493 85 HZ1 LYS 14 3HZ LYS 14 -10.581 -0.515 -8.792 86 HZ2 LYS 14 1HZ LYS 14 -10.845 -0.536 -7.121 87 HZ3 LYS 14 2HZ LYS 14 -12.159 -0.576 -8.186 88 H CYS 15 H CYS 15 -6.725 -2.061 -5.073 89 HA CYS 15 HA CYS 15 -6.911 -0.355 -2.858 90 HB2 CYS 15 1HB CYS 15 -5.354 -0.354 -5.017 91 HB3 CYS 15 2HB CYS 15 -6.543 0.819 -5.573 92 H GLN 16 H GLN 16 -7.730 2.045 -3.314 93 HA GLN 16 HA GLN 16 -10.475 1.882 -4.361 94 HB2 GLN 16 1HB GLN 16 -9.678 3.377 -1.861 95 HB3 GLN 16 2HB GLN 16 -11.303 3.176 -2.501 96 HG2 GLN 16 1HG GLN 16 -9.589 0.888 -1.574 97 HG3 GLN 16 2HG GLN 16 -10.734 1.737 -0.537 98 HE21 GLN 16 1HE2 GLN 16 -10.306 -0.684 -2.870 99 HE22 GLN 16 2HE2 GLN 16 -11.966 -1.114 -3.079 100 H VAL 17 H VAL 17 -7.599 3.769 -3.797 101 HA VAL 17 HA VAL 17 -8.654 6.228 -4.820 102 HB VAL 17 HB VAL 17 -6.276 6.959 -4.879 103 HG11 VAL 17 1HG1 VAL 17 -7.422 7.420 -2.879 104 HG12 VAL 17 2HG1 VAL 17 -7.398 5.729 -2.377 105 HG13 VAL 17 3HG1 VAL 17 -5.907 6.671 -2.376 106 HG21 VAL 17 3HG2 VAL 17 -4.879 5.102 -3.468 107 HG22 VAL 17 1HG2 VAL 17 -5.866 4.077 -4.510 108 HG23 VAL 17 2HG2 VAL 17 -4.804 5.293 -5.220 109 H CYS 18 H CYS 18 -6.710 3.584 -6.135 110 HA CYS 18 HA CYS 18 -7.005 4.782 -8.811 111 HB2 CYS 18 1HB CYS 18 -4.992 3.638 -9.478 112 HB3 CYS 18 2HB CYS 18 -4.659 4.526 -7.995 113 H GLY 19 H GLY 19 -7.495 1.958 -6.837 114 HA2 GLY 19 1HA GLY 19 -9.157 0.340 -7.267 115 HA3 GLY 19 2HA GLY 19 -9.142 0.808 -8.961 116 H LYS 20 H LYS 20 -6.140 0.238 -7.333 117 HA LYS 20 HA LYS 20 -5.395 -1.789 -9.181 118 HB2 LYS 20 1HB LYS 20 -4.144 -0.534 -6.777 119 HB3 LYS 20 2HB LYS 20 -3.467 -2.037 -7.388 120 HG2 LYS 20 1HG LYS 20 -3.948 0.203 -9.289 121 HG3 LYS 20 2HG LYS 20 -2.561 0.278 -8.201 122 HD2 LYS 20 1HD LYS 20 -2.139 -2.160 -9.055 123 HD3 LYS 20 2HD LYS 20 -3.142 -1.644 -10.413 124 HE2 LYS 20 1HE LYS 20 -0.763 -0.069 -9.465 125 HE3 LYS 20 2HE LYS 20 -0.629 -1.355 -10.663 126 HZ1 LYS 20 3HZ LYS 20 -1.170 0.139 -12.187 127 HZ2 LYS 20 1HZ LYS 20 -1.478 1.320 -11.015 128 HZ3 LYS 20 2HZ LYS 20 -2.709 0.263 -11.494 129 H ALA 21 H ALA 21 -4.286 -3.855 -8.177 130 HA ALA 21 HA ALA 21 -5.801 -5.014 -5.992 131 HB1 ALA 21 3HB ALA 21 -7.199 -5.377 -8.025 132 HB2 ALA 21 1HB ALA 21 -5.880 -6.335 -8.698 133 HB3 ALA 21 2HB ALA 21 -6.690 -6.862 -7.222 134 H PHE 22 H PHE 22 -4.686 -6.577 -4.928 135 HA PHE 22 HA PHE 22 -2.324 -7.748 -6.194 136 HB2 PHE 22 1HB PHE 22 -2.126 -6.613 -3.413 137 HB3 PHE 22 2HB PHE 22 -0.825 -7.112 -4.489 138 HD1 PHE 22 HD2 PHE 22 -3.624 -4.651 -4.355 139 HD2 PHE 22 HD1 PHE 22 0.367 -5.482 -5.577 140 HE1 PHE 22 HE2 PHE 22 -3.382 -2.329 -5.131 141 HE2 PHE 22 HE1 PHE 22 0.616 -3.161 -6.355 142 HZ PHE 22 HZ PHE 22 -1.260 -1.581 -6.133 143 H ARG 23 H ARG 23 -2.715 -9.857 -6.075 144 HA ARG 23 HA ARG 23 -4.477 -11.226 -4.534 145 HB2 ARG 23 1HB ARG 23 -2.821 -13.191 -4.738 146 HB3 ARG 23 2HB ARG 23 -3.433 -12.464 -6.218 147 HG2 ARG 23 1HG ARG 23 -1.415 -11.520 -6.754 148 HG3 ARG 23 2HG ARG 23 -0.873 -11.464 -5.076 149 HD2 ARG 23 1HD ARG 23 0.412 -13.191 -5.828 150 HD3 ARG 23 2HD ARG 23 -1.016 -14.091 -5.318 151 HE ARG 23 HE ARG 23 -1.381 -14.655 -7.500 152 HH11 ARG 23 1HH1 ARG 23 0.760 -11.911 -7.392 153 HH12 ARG 23 2HH1 ARG 23 1.068 -11.920 -9.097 154 HH21 ARG 23 1HH2 ARG 23 -0.983 -14.676 -9.746 155 HH22 ARG 23 2HH2 ARG 23 0.076 -13.493 -10.435 156 H VAL 24 H VAL 24 -1.510 -9.818 -3.494 157 HA VAL 24 HA VAL 24 -1.751 -11.163 -0.883 158 HB VAL 24 HB VAL 24 0.571 -10.698 -0.482 159 HG11 VAL 24 1HG1 VAL 24 -0.003 -12.693 -1.828 160 HG12 VAL 24 2HG1 VAL 24 0.283 -11.752 -3.293 161 HG13 VAL 24 3HG1 VAL 24 1.610 -12.068 -2.174 162 HG21 VAL 24 3HG2 VAL 24 1.807 -9.160 -1.556 163 HG22 VAL 24 1HG2 VAL 24 1.192 -9.630 -3.141 164 HG23 VAL 24 2HG2 VAL 24 0.252 -8.544 -2.117 165 H SER 25 H SER 25 -1.025 -9.790 0.989 166 HA SER 25 HA SER 25 -2.339 -7.190 0.788 167 HB2 SER 25 1HB SER 25 -3.080 -8.653 2.595 168 HB3 SER 25 2HB SER 25 -1.430 -8.773 3.204 169 HG SER 25 HG SER 25 -1.844 -7.040 4.297 170 H SER 26 H SER 26 0.751 -8.623 1.716 171 HA SER 26 HA SER 26 2.064 -6.419 2.727 172 HB2 SER 26 1HB SER 26 4.157 -7.508 1.977 173 HB3 SER 26 2HB SER 26 3.053 -8.653 2.740 174 HG SER 26 HG SER 26 4.066 -8.676 0.247 175 H HIS 27 H HIS 27 2.129 -7.509 -0.670 176 HA HIS 27 HA HIS 27 3.541 -5.353 -1.714 177 HB2 HIS 27 1HB HIS 27 1.516 -7.223 -2.925 178 HB3 HIS 27 2HB HIS 27 2.272 -5.949 -3.877 179 HD2 HIS 27 HD2 HIS 27 4.644 -7.694 -1.395 180 HE1 HIS 27 HE1 HIS 27 5.391 -9.320 -5.242 181 HE2 HIS 27 HE2 HIS 27 6.128 -9.248 -2.835 182 H LEU 28 H LEU 28 0.003 -5.824 -1.837 183 HA LEU 28 HA LEU 28 -0.826 -3.497 -2.919 184 HB2 LEU 28 1HB LEU 28 -2.517 -4.971 -2.354 185 HB3 LEU 28 2HB LEU 28 -1.948 -5.144 -0.695 186 HG LEU 28 HG LEU 28 -2.825 -2.947 -0.140 187 HD11 LEU 28 1HD1 LEU 28 -4.266 -2.649 -2.695 188 HD12 LEU 28 2HD1 LEU 28 -2.537 -2.306 -2.730 189 HD13 LEU 28 3HD1 LEU 28 -3.588 -1.427 -1.620 190 HD21 LEU 28 3HD2 LEU 28 -5.208 -3.436 -0.365 191 HD22 LEU 28 1HD2 LEU 28 -4.299 -4.879 0.084 192 HD23 LEU 28 2HD2 LEU 28 -4.847 -4.664 -1.579 193 H VAL 29 H VAL 29 0.319 -3.934 0.385 194 HA VAL 29 HA VAL 29 -0.340 -1.381 1.365 195 HB VAL 29 HB VAL 29 1.914 -3.212 2.199 196 HG11 VAL 29 1HG1 VAL 29 1.797 -1.952 4.344 197 HG12 VAL 29 2HG1 VAL 29 2.382 -0.993 2.982 198 HG13 VAL 29 3HG1 VAL 29 0.725 -0.796 3.554 199 HG21 VAL 29 3HG2 VAL 29 -0.702 -3.789 2.325 200 HG22 VAL 29 1HG2 VAL 29 0.464 -4.322 3.537 201 HG23 VAL 29 2HG2 VAL 29 -0.528 -2.894 3.835 202 H GLN 30 H GLN 30 2.791 -2.609 0.174 203 HA GLN 30 HA GLN 30 4.223 -0.245 0.314 204 HB2 GLN 30 1HB GLN 30 4.485 -2.422 -1.767 205 HB3 GLN 30 2HB GLN 30 5.705 -1.212 -1.391 206 HG2 GLN 30 1HG GLN 30 4.736 -3.461 0.345 207 HG3 GLN 30 2HG GLN 30 6.353 -3.208 -0.310 208 HE21 GLN 30 1HE2 GLN 30 4.005 -2.100 2.031 209 HE22 GLN 30 2HE2 GLN 30 5.127 -1.279 3.057 210 H HIS 31 H HIS 31 1.700 -1.127 -1.843 211 HA HIS 31 HA HIS 31 2.391 0.871 -3.830 212 HB2 HIS 31 1HB HIS 31 1.393 -0.876 -4.932 213 HB3 HIS 31 2HB HIS 31 0.339 -1.270 -3.577 214 HD1 HIS 31 HD1 HIS 31 0.629 1.174 -6.441 215 HD2 HIS 31 HD2 HIS 31 -2.188 -0.204 -3.715 216 HE1 HIS 31 HE1 HIS 31 -1.567 2.142 -7.195 217 H HIS 32 H HIS 32 0.482 0.613 -0.981 218 HA HIS 32 HA HIS 32 -1.406 2.654 -1.524 219 HB2 HIS 32 1HB HIS 32 -0.450 1.231 0.917 220 HB3 HIS 32 2HB HIS 32 -1.354 2.728 1.130 221 HD2 HIS 32 HD2 HIS 32 -2.236 -0.747 1.346 222 HE1 HIS 32 HE1 HIS 32 -5.472 0.873 -0.869 223 HE2 HIS 32 HE2 HIS 32 -4.679 -1.049 0.552 224 H SER 33 H SER 33 1.866 2.861 -1.280 225 HA SER 33 HA SER 33 1.780 5.590 -0.174 226 HB2 SER 33 1HB SER 33 4.112 3.668 -0.359 227 HB3 SER 33 2HB SER 33 4.205 5.315 0.263 228 HG SER 33 HG SER 33 2.396 4.474 1.712 229 H VAL 34 H VAL 34 1.509 4.252 -3.017 230 HA VAL 34 HA VAL 34 3.592 5.668 -4.463 231 HB VAL 34 HB VAL 34 2.841 4.588 -6.415 232 HG11 VAL 34 1HG1 VAL 34 2.956 2.993 -3.953 233 HG12 VAL 34 2HG1 VAL 34 2.213 2.179 -5.332 234 HG13 VAL 34 3HG1 VAL 34 3.851 2.821 -5.463 235 HG21 VAL 34 3HG2 VAL 34 0.666 3.284 -6.412 236 HG22 VAL 34 1HG2 VAL 34 0.265 4.147 -4.926 237 HG23 VAL 34 2HG2 VAL 34 0.523 5.042 -6.424 238 H HIS 35 H HIS 35 0.315 6.142 -3.507 239 HA HIS 35 HA HIS 35 -0.188 8.202 -5.490 240 HB2 HIS 35 1HB HIS 35 -1.922 7.537 -3.114 241 HB3 HIS 35 2HB HIS 35 -2.399 8.301 -4.627 242 HD1 HIS 35 HD1 HIS 35 -1.721 6.502 -6.780 243 HD2 HIS 35 HD2 HIS 35 -2.823 5.003 -3.065 244 HE1 HIS 35 HE1 HIS 35 -2.482 4.143 -7.206 245 H SER 36 H SER 36 0.186 7.983 -1.963 246 HA SER 36 HA SER 36 -0.211 10.547 -1.171 247 HB2 SER 36 1HB SER 36 1.376 10.158 0.640 248 HB3 SER 36 2HB SER 36 0.440 8.694 0.342 249 HG SER 36 HG SER 36 2.269 8.025 -1.000 250 H GLY 37 H GLY 37 2.745 9.272 -2.661 251 HA2 GLY 37 1HA GLY 37 4.457 11.386 -2.465 252 HA3 GLY 37 2HA GLY 37 4.361 10.364 -3.891 253 H GLU 38 H GLU 38 2.298 10.952 -5.274 254 HA GLU 38 HA GLU 38 1.872 13.838 -5.354 255 HB2 GLU 38 1HB GLU 38 3.293 12.240 -7.440 256 HB3 GLU 38 2HB GLU 38 2.256 13.563 -7.953 257 HG2 GLU 38 1HG GLU 38 4.571 13.792 -6.044 258 HG3 GLU 38 2HG GLU 38 4.586 14.254 -7.745 259 H ARG 39 H ARG 39 -0.229 14.186 -5.564 260 HA ARG 39 HA ARG 39 -2.110 12.172 -6.075 261 HB2 ARG 39 1HB ARG 39 -2.227 15.161 -5.939 262 HB3 ARG 39 2HB ARG 39 -3.630 14.269 -6.513 263 HG2 ARG 39 1HG ARG 39 -3.864 13.130 -4.451 264 HG3 ARG 39 2HG ARG 39 -2.290 13.693 -3.887 265 HD2 ARG 39 1HD ARG 39 -3.626 15.178 -2.790 266 HD3 ARG 39 2HD ARG 39 -3.399 16.060 -4.300 267 HE ARG 39 HE ARG 39 -5.690 14.342 -4.344 268 HH11 ARG 39 1HH1 ARG 39 -4.504 17.464 -3.361 269 HH12 ARG 39 2HH1 ARG 39 -6.065 18.214 -3.399 270 HH21 ARG 39 1HH2 ARG 39 -7.751 15.318 -4.397 271 HH22 ARG 39 2HH2 ARG 39 -7.911 16.992 -3.988 272 HA PRO 40 HA PRO 40 -2.157 11.866 -10.465 273 HB2 PRO 40 1HB PRO 40 -4.673 10.904 -10.806 274 HB3 PRO 40 2HB PRO 40 -3.348 9.924 -10.166 275 HG2 PRO 40 1HG PRO 40 -5.538 11.339 -8.696 276 HG3 PRO 40 2HG PRO 40 -4.882 9.713 -8.432 277 HD2 PRO 40 1HD PRO 40 -4.180 11.833 -6.901 278 HD3 PRO 40 2HD PRO 40 -3.062 10.501 -7.258 279 H SER 41 H SER 41 -3.336 12.627 -12.376 280 HA SER 41 HA SER 41 -4.202 15.338 -12.034 281 HB2 SER 41 1HB SER 41 -4.215 13.647 -14.545 282 HB3 SER 41 2HB SER 41 -4.326 15.405 -14.463 283 HG SER 41 HG SER 41 -2.211 15.264 -13.367 284 H GLY 42 H GLY 42 -6.168 15.673 -11.186 285 HA2 GLY 42 1HA GLY 42 -8.458 15.718 -11.029 286 HA3 GLY 42 2HA GLY 42 -8.497 15.090 -12.670 287 HA PRO 43 HA PRO 43 -9.538 11.844 -9.258 288 HB2 PRO 43 1HB PRO 43 -12.202 12.244 -8.923 289 HB3 PRO 43 2HB PRO 43 -10.979 13.026 -7.915 290 HG2 PRO 43 1HG PRO 43 -12.480 14.119 -10.263 291 HG3 PRO 43 2HG PRO 43 -12.102 14.898 -8.715 292 HD2 PRO 43 1HD PRO 43 -10.690 15.383 -10.974 293 HD3 PRO 43 2HD PRO 43 -9.952 15.420 -9.360 294 H SER 44 H SER 44 -9.584 10.018 -10.403 295 HA SER 44 HA SER 44 -11.174 9.837 -12.831 296 HB2 SER 44 1HB SER 44 -9.978 7.780 -13.261 297 HB3 SER 44 2HB SER 44 -8.816 9.004 -12.750 298 HG SER 44 HG SER 44 -9.890 6.881 -11.209 299 H SER 45 H SER 45 -10.874 8.145 -9.723 300 HA SER 45 HA SER 45 -13.655 7.255 -10.027 301 HB2 SER 45 1HB SER 45 -11.319 5.524 -9.189 302 HB3 SER 45 2HB SER 45 -13.010 5.056 -9.011 303 HG SER 45 HG SER 45 -13.120 4.664 -11.082 304 H GLY 46 H GLY 46 -14.442 6.300 -7.850 305 HA2 GLY 46 1HA GLY 46 -13.943 8.334 -5.849 306 HA3 GLY 46 2HA GLY 46 -15.160 7.069 -5.773 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.986 -9.585 -32.045 2 HA2 GLY 1 1HA GLY 1 2.708 -8.331 -33.752 3 HA3 GLY 1 2HA GLY 1 1.696 -9.759 -33.906 4 H SER 2 H SER 2 -0.057 -9.958 -32.634 5 HA SER 2 HA SER 2 -0.786 -7.707 -30.993 6 HB2 SER 2 1HB SER 2 -2.954 -8.696 -30.869 7 HB3 SER 2 2HB SER 2 -2.373 -8.987 -32.508 8 HG SER 2 HG SER 2 -2.182 -10.849 -30.374 9 H SER 3 H SER 3 -1.233 -7.723 -28.784 10 HA SER 3 HA SER 3 0.262 -9.738 -27.285 11 HB2 SER 3 1HB SER 3 0.492 -7.156 -27.003 12 HB3 SER 3 2HB SER 3 -0.989 -7.298 -26.055 13 HG SER 3 HG SER 3 1.536 -7.884 -25.346 14 H GLY 4 H GLY 4 -0.671 -10.410 -25.143 15 HA2 GLY 4 1HA GLY 4 -3.604 -10.591 -25.191 16 HA3 GLY 4 2HA GLY 4 -2.662 -12.073 -25.119 17 H SER 5 H SER 5 -4.424 -10.094 -23.279 18 HA SER 5 HA SER 5 -2.685 -10.207 -20.925 19 HB2 SER 5 1HB SER 5 -5.074 -8.603 -21.695 20 HB3 SER 5 2HB SER 5 -4.841 -8.941 -19.981 21 HG SER 5 HG SER 5 -2.621 -8.063 -21.407 22 H SER 6 H SER 6 -3.794 -10.788 -18.831 23 HA SER 6 HA SER 6 -5.917 -12.767 -19.109 24 HB2 SER 6 1HB SER 6 -3.100 -13.376 -18.322 25 HB3 SER 6 2HB SER 6 -4.403 -14.243 -17.508 26 HG SER 6 HG SER 6 -4.906 -15.240 -19.331 27 H GLY 7 H GLY 7 -7.391 -12.142 -17.680 28 HA2 GLY 7 1HA GLY 7 -6.678 -11.822 -14.901 29 HA3 GLY 7 2HA GLY 7 -7.211 -10.335 -15.669 30 H THR 8 H THR 8 -8.228 -13.747 -15.466 31 HA THR 8 HA THR 8 -10.990 -13.088 -15.826 32 HB THR 8 HB THR 8 -10.105 -15.266 -16.538 33 HG1 THR 8 HG1 THR 8 -12.203 -15.060 -14.686 34 HG21 THR 8 3HG2 THR 8 -8.493 -15.550 -14.672 35 HG22 THR 8 1HG2 THR 8 -9.498 -16.973 -14.939 36 HG23 THR 8 2HG2 THR 8 -9.847 -15.887 -13.595 37 H GLY 9 H GLY 9 -9.034 -14.156 -13.049 38 HA2 GLY 9 1HA GLY 9 -11.295 -13.671 -11.261 39 HA3 GLY 9 2HA GLY 9 -9.772 -14.433 -10.827 40 H GLU 10 H GLU 10 -11.203 -12.286 -9.467 41 HA GLU 10 HA GLU 10 -9.280 -10.080 -9.782 42 HB2 GLU 10 1HB GLU 10 -12.083 -10.144 -8.670 43 HB3 GLU 10 2HB GLU 10 -11.004 -8.775 -8.444 44 HG2 GLU 10 1HG GLU 10 -12.219 -8.126 -10.278 45 HG3 GLU 10 2HG GLU 10 -10.790 -8.838 -11.025 46 H LYS 11 H LYS 11 -7.848 -9.707 -8.222 47 HA LYS 11 HA LYS 11 -7.364 -11.414 -6.110 48 HB2 LYS 11 1HB LYS 11 -6.670 -8.473 -6.157 49 HB3 LYS 11 2HB LYS 11 -5.851 -9.735 -5.246 50 HG2 LYS 11 1HG LYS 11 -5.969 -9.593 -8.251 51 HG3 LYS 11 2HG LYS 11 -4.621 -9.026 -7.262 52 HD2 LYS 11 1HD LYS 11 -3.948 -11.145 -6.721 53 HD3 LYS 11 2HD LYS 11 -5.575 -11.816 -6.868 54 HE2 LYS 11 1HE LYS 11 -4.402 -12.699 -8.693 55 HE3 LYS 11 2HE LYS 11 -5.345 -11.372 -9.370 56 HZ1 LYS 11 3HZ LYS 11 -3.090 -10.109 -8.747 57 HZ2 LYS 11 1HZ LYS 11 -3.369 -10.821 -10.256 58 HZ3 LYS 11 2HZ LYS 11 -2.469 -11.646 -9.086 59 HA PRO 12 HA PRO 12 -10.241 -10.467 -2.930 60 HB2 PRO 12 1HB PRO 12 -8.740 -10.953 -0.720 61 HB3 PRO 12 2HB PRO 12 -9.351 -12.239 -1.769 62 HG2 PRO 12 1HG PRO 12 -6.631 -10.990 -1.690 63 HG3 PRO 12 2HG PRO 12 -7.073 -12.700 -1.846 64 HD2 PRO 12 1HD PRO 12 -6.342 -11.185 -3.968 65 HD3 PRO 12 2HD PRO 12 -7.516 -12.510 -4.100 66 H TYR 13 H TYR 13 -7.160 -8.833 -3.005 67 HA TYR 13 HA TYR 13 -8.303 -6.652 -1.385 68 HB2 TYR 13 1HB TYR 13 -5.354 -6.896 -1.781 69 HB3 TYR 13 2HB TYR 13 -6.250 -6.234 -0.419 70 HD1 TYR 13 HD2 TYR 13 -8.076 -8.512 0.166 71 HD2 TYR 13 HD1 TYR 13 -3.926 -8.452 -0.770 72 HE1 TYR 13 HE2 TYR 13 -7.774 -10.622 1.395 73 HE2 TYR 13 HE1 TYR 13 -3.613 -10.561 0.455 74 HH TYR 13 HH TYR 13 -5.942 -11.841 2.536 75 H LYS 14 H LYS 14 -8.978 -5.080 -2.682 76 HA LYS 14 HA LYS 14 -7.263 -4.309 -4.952 77 HB2 LYS 14 1HB LYS 14 -9.267 -5.229 -5.866 78 HB3 LYS 14 2HB LYS 14 -10.272 -4.335 -4.733 79 HG2 LYS 14 1HG LYS 14 -9.195 -2.250 -5.886 80 HG3 LYS 14 2HG LYS 14 -8.889 -3.393 -7.196 81 HD2 LYS 14 1HD LYS 14 -11.406 -4.002 -6.870 82 HD3 LYS 14 2HD LYS 14 -11.492 -2.421 -6.089 83 HE2 LYS 14 1HE LYS 14 -10.303 -1.560 -8.209 84 HE3 LYS 14 2HE LYS 14 -10.799 -3.091 -8.929 85 HZ1 LYS 14 3HZ LYS 14 -12.992 -2.516 -8.870 86 HZ2 LYS 14 1HZ LYS 14 -12.309 -0.982 -9.084 87 HZ3 LYS 14 2HZ LYS 14 -12.817 -1.474 -7.548 88 H CYS 15 H CYS 15 -6.689 -2.211 -5.124 89 HA CYS 15 HA CYS 15 -6.829 -0.505 -2.925 90 HB2 CYS 15 1HB CYS 15 -5.341 -0.502 -5.135 91 HB3 CYS 15 2HB CYS 15 -6.534 0.690 -5.639 92 H GLN 16 H GLN 16 -7.635 1.912 -3.368 93 HA GLN 16 HA GLN 16 -10.407 1.785 -4.342 94 HB2 GLN 16 1HB GLN 16 -9.540 3.187 -1.810 95 HB3 GLN 16 2HB GLN 16 -11.178 3.068 -2.437 96 HG2 GLN 16 1HG GLN 16 -9.572 0.650 -1.682 97 HG3 GLN 16 2HG GLN 16 -10.559 1.534 -0.520 98 HE21 GLN 16 1HE2 GLN 16 -10.592 -1.160 -2.152 99 HE22 GLN 16 2HE2 GLN 16 -12.263 -1.305 -2.565 100 H VAL 17 H VAL 17 -7.521 3.659 -3.746 101 HA VAL 17 HA VAL 17 -8.561 6.147 -4.682 102 HB VAL 17 HB VAL 17 -6.170 6.838 -4.811 103 HG11 VAL 17 1HG1 VAL 17 -5.725 6.447 -2.321 104 HG12 VAL 17 2HG1 VAL 17 -7.212 7.287 -2.763 105 HG13 VAL 17 3HG1 VAL 17 -7.262 5.582 -2.313 106 HG21 VAL 17 3HG2 VAL 17 -4.747 4.941 -3.505 107 HG22 VAL 17 1HG2 VAL 17 -5.805 3.937 -4.497 108 HG23 VAL 17 2HG2 VAL 17 -4.761 5.137 -5.258 109 H CYS 18 H CYS 18 -6.647 3.551 -6.147 110 HA CYS 18 HA CYS 18 -7.061 4.819 -8.774 111 HB2 CYS 18 1HB CYS 18 -5.072 3.668 -9.549 112 HB3 CYS 18 2HB CYS 18 -4.687 4.582 -8.094 113 H GLY 19 H GLY 19 -7.313 1.861 -6.911 114 HA2 GLY 19 1HA GLY 19 -9.069 0.295 -7.332 115 HA3 GLY 19 2HA GLY 19 -9.036 0.765 -9.025 116 H LYS 20 H LYS 20 -6.035 0.220 -7.405 117 HA LYS 20 HA LYS 20 -5.261 -1.798 -9.237 118 HB2 LYS 20 1HB LYS 20 -4.065 -0.527 -6.826 119 HB3 LYS 20 2HB LYS 20 -3.395 -2.067 -7.349 120 HG2 LYS 20 1HG LYS 20 -3.725 0.251 -9.226 121 HG3 LYS 20 2HG LYS 20 -2.286 0.040 -8.225 122 HD2 LYS 20 1HD LYS 20 -2.191 -2.327 -9.229 123 HD3 LYS 20 2HD LYS 20 -3.312 -1.704 -10.442 124 HE2 LYS 20 1HE LYS 20 -0.724 -0.321 -9.796 125 HE3 LYS 20 2HE LYS 20 -0.817 -1.619 -10.985 126 HZ1 LYS 20 3HZ LYS 20 -1.046 0.785 -11.788 127 HZ2 LYS 20 1HZ LYS 20 -2.614 0.715 -11.155 128 HZ3 LYS 20 2HZ LYS 20 -2.147 -0.355 -12.378 129 H ALA 21 H ALA 21 -4.178 -3.879 -8.243 130 HA ALA 21 HA ALA 21 -5.764 -5.069 -6.119 131 HB1 ALA 21 3HB ALA 21 -5.712 -6.338 -8.852 132 HB2 ALA 21 1HB ALA 21 -6.545 -6.934 -7.416 133 HB3 ALA 21 2HB ALA 21 -7.078 -5.441 -8.190 134 H PHE 22 H PHE 22 -4.803 -6.875 -5.172 135 HA PHE 22 HA PHE 22 -2.358 -7.955 -6.290 136 HB2 PHE 22 1HB PHE 22 -2.233 -6.749 -3.531 137 HB3 PHE 22 2HB PHE 22 -0.903 -7.331 -4.527 138 HD1 PHE 22 HD2 PHE 22 -3.502 -4.692 -4.325 139 HD2 PHE 22 HD1 PHE 22 0.265 -5.875 -5.915 140 HE1 PHE 22 HE2 PHE 22 -3.151 -2.412 -5.181 141 HE2 PHE 22 HE1 PHE 22 0.623 -3.596 -6.773 142 HZ PHE 22 HZ PHE 22 -1.087 -1.862 -6.407 143 H ARG 23 H ARG 23 -2.297 -10.066 -5.900 144 HA ARG 23 HA ARG 23 -4.261 -11.430 -4.475 145 HB2 ARG 23 1HB ARG 23 -2.345 -13.286 -4.500 146 HB3 ARG 23 2HB ARG 23 -3.242 -12.843 -5.947 147 HG2 ARG 23 1HG ARG 23 -1.465 -11.783 -6.896 148 HG3 ARG 23 2HG ARG 23 -0.761 -11.334 -5.341 149 HD2 ARG 23 1HD ARG 23 -0.477 -13.954 -5.123 150 HD3 ARG 23 2HD ARG 23 -0.521 -13.865 -6.883 151 HE ARG 23 HE ARG 23 1.296 -11.979 -6.223 152 HH11 ARG 23 1HH1 ARG 23 0.923 -15.333 -5.369 153 HH12 ARG 23 2HH1 ARG 23 2.623 -15.611 -5.184 154 HH21 ARG 23 1HH2 ARG 23 3.537 -12.332 -5.983 155 HH22 ARG 23 2HH2 ARG 23 4.109 -13.902 -5.532 156 H VAL 24 H VAL 24 -1.266 -10.035 -3.410 157 HA VAL 24 HA VAL 24 -1.621 -11.253 -0.753 158 HB VAL 24 HB VAL 24 0.665 -10.963 -0.318 159 HG11 VAL 24 1HG1 VAL 24 1.635 -12.357 -1.854 160 HG12 VAL 24 2HG1 VAL 24 -0.069 -12.594 -2.249 161 HG13 VAL 24 3HG1 VAL 24 0.924 -11.516 -3.231 162 HG21 VAL 24 3HG2 VAL 24 1.786 -9.679 -2.552 163 HG22 VAL 24 1HG2 VAL 24 0.396 -8.709 -2.066 164 HG23 VAL 24 2HG2 VAL 24 1.670 -9.069 -0.901 165 H SER 25 H SER 25 -0.966 -9.824 1.094 166 HA SER 25 HA SER 25 -2.360 -7.298 0.844 167 HB2 SER 25 1HB SER 25 -2.938 -8.397 2.826 168 HB3 SER 25 2HB SER 25 -1.278 -8.897 3.147 169 HG SER 25 HG SER 25 -1.772 -6.163 3.060 170 H SER 26 H SER 26 0.880 -8.389 1.821 171 HA SER 26 HA SER 26 2.099 -6.048 2.465 172 HB2 SER 26 1HB SER 26 3.029 -8.514 2.157 173 HB3 SER 26 2HB SER 26 3.600 -7.858 0.623 174 HG SER 26 HG SER 26 4.799 -7.641 2.892 175 H HIS 27 H HIS 27 2.484 -7.373 -0.818 176 HA HIS 27 HA HIS 27 3.488 -5.243 -2.122 177 HB2 HIS 27 1HB HIS 27 1.426 -7.233 -3.048 178 HB3 HIS 27 2HB HIS 27 2.082 -6.012 -4.134 179 HD2 HIS 27 HD2 HIS 27 4.668 -7.547 -1.730 180 HE1 HIS 27 HE1 HIS 27 5.166 -9.413 -5.507 181 HE2 HIS 27 HE2 HIS 27 6.077 -9.167 -3.172 182 H LEU 28 H LEU 28 -0.024 -5.811 -1.829 183 HA LEU 28 HA LEU 28 -0.902 -3.453 -2.976 184 HB2 LEU 28 1HB LEU 28 -2.547 -5.035 -2.566 185 HB3 LEU 28 2HB LEU 28 -2.043 -5.268 -0.893 186 HG LEU 28 HG LEU 28 -3.033 -3.138 -0.273 187 HD11 LEU 28 1HD1 LEU 28 -3.357 -2.873 -3.216 188 HD12 LEU 28 2HD1 LEU 28 -2.888 -1.669 -2.016 189 HD13 LEU 28 3HD1 LEU 28 -4.577 -2.155 -2.164 190 HD21 LEU 28 3HD2 LEU 28 -5.254 -4.284 -1.825 191 HD22 LEU 28 1HD2 LEU 28 -5.109 -3.987 -0.092 192 HD23 LEU 28 2HD2 LEU 28 -4.372 -5.422 -0.805 193 H VAL 29 H VAL 29 0.068 -4.078 0.363 194 HA VAL 29 HA VAL 29 -0.693 -1.614 1.465 195 HB VAL 29 HB VAL 29 1.589 -3.421 2.278 196 HG11 VAL 29 1HG1 VAL 29 0.280 -1.102 3.681 197 HG12 VAL 29 2HG1 VAL 29 1.265 -2.307 4.513 198 HG13 VAL 29 3HG1 VAL 29 1.981 -1.294 3.258 199 HG21 VAL 29 3HG2 VAL 29 -0.534 -3.587 4.096 200 HG22 VAL 29 1HG2 VAL 29 -1.269 -3.663 2.495 201 HG23 VAL 29 2HG2 VAL 29 -0.012 -4.816 2.944 202 H GLN 30 H GLN 30 2.463 -2.664 0.187 203 HA GLN 30 HA GLN 30 3.792 -0.223 0.575 204 HB2 GLN 30 1HB GLN 30 4.304 -2.371 -1.490 205 HB3 GLN 30 2HB GLN 30 5.420 -1.074 -1.084 206 HG2 GLN 30 1HG GLN 30 4.527 -3.348 0.665 207 HG3 GLN 30 2HG GLN 30 6.146 -3.025 0.046 208 HE21 GLN 30 1HE2 GLN 30 3.644 -1.843 2.214 209 HE22 GLN 30 2HE2 GLN 30 4.707 -0.997 3.280 210 H HIS 31 H HIS 31 1.643 -1.325 -1.933 211 HA HIS 31 HA HIS 31 2.307 0.739 -3.808 212 HB2 HIS 31 1HB HIS 31 1.380 -1.029 -4.937 213 HB3 HIS 31 2HB HIS 31 0.271 -1.424 -3.627 214 HD1 HIS 31 HD1 HIS 31 0.664 1.046 -6.464 215 HD2 HIS 31 HD2 HIS 31 -2.267 -0.443 -3.924 216 HE1 HIS 31 HE1 HIS 31 -1.509 1.964 -7.334 217 H HIS 32 H HIS 32 0.233 0.472 -1.067 218 HA HIS 32 HA HIS 32 -1.613 2.521 -1.735 219 HB2 HIS 32 1HB HIS 32 -0.833 1.105 0.781 220 HB3 HIS 32 2HB HIS 32 -1.807 2.568 0.895 221 HD2 HIS 32 HD2 HIS 32 -2.542 -0.968 0.996 222 HE1 HIS 32 HE1 HIS 32 -5.678 0.573 -1.410 223 HE2 HIS 32 HE2 HIS 32 -4.906 -1.352 0.019 224 H SER 33 H SER 33 1.626 2.722 -1.273 225 HA SER 33 HA SER 33 1.466 5.439 -0.143 226 HB2 SER 33 1HB SER 33 3.869 3.599 -0.194 227 HB3 SER 33 2HB SER 33 3.770 5.174 0.592 228 HG SER 33 HG SER 33 3.146 4.054 2.256 229 H VAL 34 H VAL 34 1.415 4.125 -3.005 230 HA VAL 34 HA VAL 34 3.629 5.497 -4.278 231 HB VAL 34 HB VAL 34 2.973 4.477 -6.296 232 HG11 VAL 34 1HG1 VAL 34 2.870 2.845 -3.861 233 HG12 VAL 34 2HG1 VAL 34 2.183 2.078 -5.294 234 HG13 VAL 34 3HG1 VAL 34 3.849 2.656 -5.315 235 HG21 VAL 34 3HG2 VAL 34 0.291 4.031 -4.996 236 HG22 VAL 34 1HG2 VAL 34 0.659 5.050 -6.388 237 HG23 VAL 34 2HG2 VAL 34 0.774 3.296 -6.525 238 H HIS 35 H HIS 35 0.171 5.903 -3.852 239 HA HIS 35 HA HIS 35 -0.077 8.044 -5.736 240 HB2 HIS 35 1HB HIS 35 -1.989 7.543 -3.470 241 HB3 HIS 35 2HB HIS 35 -2.329 8.178 -5.077 242 HD1 HIS 35 HD1 HIS 35 -1.798 6.273 -7.056 243 HD2 HIS 35 HD2 HIS 35 -2.681 4.948 -3.219 244 HE1 HIS 35 HE1 HIS 35 -2.513 3.876 -7.320 245 H SER 36 H SER 36 -0.187 7.924 -2.173 246 HA SER 36 HA SER 36 0.056 10.797 -1.995 247 HB2 SER 36 1HB SER 36 -1.313 9.415 -0.396 248 HB3 SER 36 2HB SER 36 0.197 8.775 0.252 249 HG SER 36 HG SER 36 -0.980 10.899 1.068 250 H GLY 37 H GLY 37 2.224 9.710 -3.353 251 HA2 GLY 37 1HA GLY 37 4.396 10.312 -1.453 252 HA3 GLY 37 2HA GLY 37 4.521 8.935 -2.537 253 H GLU 38 H GLU 38 4.692 9.315 -4.808 254 HA GLU 38 HA GLU 38 6.472 11.321 -5.520 255 HB2 GLU 38 1HB GLU 38 5.793 9.136 -6.756 256 HB3 GLU 38 2HB GLU 38 4.576 10.143 -7.526 257 HG2 GLU 38 1HG GLU 38 6.242 11.553 -8.484 258 HG3 GLU 38 2HG GLU 38 7.516 10.768 -7.553 259 H ARG 39 H ARG 39 6.113 13.437 -5.399 260 HA ARG 39 HA ARG 39 3.458 14.511 -5.932 261 HB2 ARG 39 1HB ARG 39 4.337 16.610 -5.062 262 HB3 ARG 39 2HB ARG 39 4.689 15.293 -3.951 263 HG2 ARG 39 1HG ARG 39 6.964 15.216 -5.246 264 HG3 ARG 39 2HG ARG 39 6.537 16.878 -5.661 265 HD2 ARG 39 1HD ARG 39 6.649 15.774 -2.857 266 HD3 ARG 39 2HD ARG 39 7.939 16.698 -3.625 267 HE ARG 39 HE ARG 39 5.389 18.033 -3.607 268 HH11 ARG 39 1HH1 ARG 39 8.338 17.442 -1.854 269 HH12 ARG 39 2HH1 ARG 39 8.218 18.888 -0.906 270 HH21 ARG 39 1HH2 ARG 39 5.220 19.939 -2.366 271 HH22 ARG 39 2HH2 ARG 39 6.443 20.307 -1.198 272 HA PRO 40 HA PRO 40 4.305 15.894 -10.013 273 HB2 PRO 40 1HB PRO 40 2.753 18.118 -10.119 274 HB3 PRO 40 2HB PRO 40 2.087 16.481 -10.135 275 HG2 PRO 40 1HG PRO 40 2.335 18.402 -7.853 276 HG3 PRO 40 2HG PRO 40 0.974 17.353 -8.289 277 HD2 PRO 40 1HD PRO 40 2.727 16.724 -6.323 278 HD3 PRO 40 2HD PRO 40 1.939 15.492 -7.329 279 H SER 41 H SER 41 5.950 16.972 -10.903 280 HA SER 41 HA SER 41 7.285 19.045 -9.367 281 HB2 SER 41 1HB SER 41 8.051 17.723 -11.982 282 HB3 SER 41 2HB SER 41 9.061 18.849 -11.075 283 HG SER 41 HG SER 41 8.074 16.642 -9.698 284 H GLY 42 H GLY 42 4.792 19.867 -10.268 285 HA2 GLY 42 1HA GLY 42 3.805 21.678 -11.276 286 HA3 GLY 42 2HA GLY 42 5.427 22.300 -11.544 287 HA PRO 43 HA PRO 43 4.312 19.577 -15.397 288 HB2 PRO 43 1HB PRO 43 1.705 18.859 -15.631 289 HB3 PRO 43 2HB PRO 43 2.907 17.857 -14.808 290 HG2 PRO 43 1HG PRO 43 0.887 19.734 -13.642 291 HG3 PRO 43 2HG PRO 43 1.352 18.112 -13.098 292 HD2 PRO 43 1HD PRO 43 2.285 20.366 -11.924 293 HD3 PRO 43 2HD PRO 43 3.246 18.877 -12.029 294 H SER 44 H SER 44 2.985 22.318 -14.149 295 HA SER 44 HA SER 44 2.188 24.253 -15.043 296 HB2 SER 44 1HB SER 44 2.921 24.865 -17.167 297 HB3 SER 44 2HB SER 44 4.071 23.599 -16.737 298 HG SER 44 HG SER 44 2.384 23.680 -18.801 299 H SER 45 H SER 45 0.293 22.377 -14.428 300 HA SER 45 HA SER 45 -1.724 22.860 -16.513 301 HB2 SER 45 1HB SER 45 -0.845 20.446 -16.414 302 HB3 SER 45 2HB SER 45 -1.690 20.332 -14.870 303 HG SER 45 HG SER 45 -2.740 20.671 -17.456 304 H GLY 46 H GLY 46 -3.316 24.062 -15.734 305 HA2 GLY 46 1HA GLY 46 -4.789 25.044 -14.273 306 HA3 GLY 46 2HA GLY 46 -4.836 23.477 -13.478 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.914 -9.242 -29.471 2 HA2 GLY 1 1HA GLY 1 3.558 -7.945 -27.123 3 HA3 GLY 1 2HA GLY 1 1.981 -7.794 -27.884 4 H SER 2 H SER 2 2.394 -9.127 -25.458 5 HA SER 2 HA SER 2 1.229 -11.675 -26.095 6 HB2 SER 2 1HB SER 2 3.984 -11.528 -24.867 7 HB3 SER 2 2HB SER 2 2.947 -12.947 -24.714 8 HG SER 2 HG SER 2 2.867 -12.541 -27.205 9 H SER 3 H SER 3 0.585 -12.866 -24.114 10 HA SER 3 HA SER 3 0.376 -11.136 -21.749 11 HB2 SER 3 1HB SER 3 -1.886 -12.518 -23.192 12 HB3 SER 3 2HB SER 3 -2.019 -11.994 -21.514 13 HG SER 3 HG SER 3 -2.709 -10.500 -23.305 14 H GLY 4 H GLY 4 0.195 -12.211 -19.767 15 HA2 GLY 4 1HA GLY 4 1.431 -14.793 -19.696 16 HA3 GLY 4 2HA GLY 4 0.866 -13.870 -18.311 17 H SER 5 H SER 5 -1.312 -14.076 -17.641 18 HA SER 5 HA SER 5 -2.541 -16.595 -18.530 19 HB2 SER 5 1HB SER 5 -2.837 -15.085 -15.923 20 HB3 SER 5 2HB SER 5 -3.706 -16.565 -16.331 21 HG SER 5 HG SER 5 -1.432 -17.390 -16.718 22 H SER 6 H SER 6 -5.011 -16.596 -18.138 23 HA SER 6 HA SER 6 -6.112 -14.537 -19.805 24 HB2 SER 6 1HB SER 6 -6.863 -16.895 -19.944 25 HB3 SER 6 2HB SER 6 -7.528 -16.762 -18.316 26 HG SER 6 HG SER 6 -8.296 -14.988 -20.373 27 H GLY 7 H GLY 7 -7.696 -13.018 -19.272 28 HA2 GLY 7 1HA GLY 7 -8.978 -11.658 -17.900 29 HA3 GLY 7 2HA GLY 7 -8.606 -12.724 -16.552 30 H THR 8 H THR 8 -8.625 -10.209 -15.871 31 HA THR 8 HA THR 8 -5.978 -9.036 -16.188 32 HB THR 8 HB THR 8 -7.870 -7.518 -16.338 33 HG1 THR 8 HG1 THR 8 -7.028 -5.988 -14.986 34 HG21 THR 8 3HG2 THR 8 -9.522 -8.619 -15.008 35 HG22 THR 8 1HG2 THR 8 -9.213 -7.050 -14.265 36 HG23 THR 8 2HG2 THR 8 -8.516 -8.510 -13.564 37 H GLY 9 H GLY 9 -7.536 -11.152 -14.082 38 HA2 GLY 9 1HA GLY 9 -6.453 -12.251 -12.299 39 HA3 GLY 9 2HA GLY 9 -5.342 -10.896 -12.169 40 H GLU 10 H GLU 10 -8.318 -12.264 -11.108 41 HA GLU 10 HA GLU 10 -9.201 -9.893 -9.715 42 HB2 GLU 10 1HB GLU 10 -10.953 -11.417 -8.793 43 HB3 GLU 10 2HB GLU 10 -10.906 -11.359 -10.549 44 HG2 GLU 10 1HG GLU 10 -9.352 -13.484 -9.182 45 HG3 GLU 10 2HG GLU 10 -11.107 -13.632 -9.231 46 H LYS 11 H LYS 11 -8.727 -9.325 -7.691 47 HA LYS 11 HA LYS 11 -7.460 -11.323 -5.937 48 HB2 LYS 11 1HB LYS 11 -6.730 -8.402 -5.913 49 HB3 LYS 11 2HB LYS 11 -5.873 -9.744 -5.166 50 HG2 LYS 11 1HG LYS 11 -6.155 -9.332 -8.135 51 HG3 LYS 11 2HG LYS 11 -4.752 -8.856 -7.177 52 HD2 LYS 11 1HD LYS 11 -4.170 -11.075 -6.716 53 HD3 LYS 11 2HD LYS 11 -5.769 -11.680 -7.157 54 HE2 LYS 11 1HE LYS 11 -4.318 -12.280 -8.927 55 HE3 LYS 11 2HE LYS 11 -5.275 -10.920 -9.511 56 HZ1 LYS 11 3HZ LYS 11 -2.957 -10.654 -10.095 57 HZ2 LYS 11 1HZ LYS 11 -2.496 -10.772 -8.471 58 HZ3 LYS 11 2HZ LYS 11 -3.414 -9.453 -8.996 59 HA PRO 12 HA PRO 12 -10.422 -10.226 -2.886 60 HB2 PRO 12 1HB PRO 12 -8.999 -10.655 -0.614 61 HB3 PRO 12 2HB PRO 12 -9.595 -11.968 -1.636 62 HG2 PRO 12 1HG PRO 12 -6.861 -10.755 -1.515 63 HG3 PRO 12 2HG PRO 12 -7.323 -12.463 -1.625 64 HD2 PRO 12 1HD PRO 12 -6.503 -11.034 -3.774 65 HD3 PRO 12 2HD PRO 12 -7.692 -12.347 -3.897 66 H TYR 13 H TYR 13 -7.242 -8.724 -2.714 67 HA TYR 13 HA TYR 13 -8.406 -6.463 -1.235 68 HB2 TYR 13 1HB TYR 13 -5.462 -6.737 -1.659 69 HB3 TYR 13 2HB TYR 13 -6.337 -6.033 -0.304 70 HD1 TYR 13 HD2 TYR 13 -8.154 -8.216 0.449 71 HD2 TYR 13 HD1 TYR 13 -4.066 -8.345 -0.721 72 HE1 TYR 13 HE2 TYR 13 -7.861 -10.298 1.725 73 HE2 TYR 13 HE1 TYR 13 -3.761 -10.428 0.550 74 HH TYR 13 HH TYR 13 -5.689 -12.405 1.331 75 H LYS 14 H LYS 14 -9.055 -4.869 -2.512 76 HA LYS 14 HA LYS 14 -7.370 -4.147 -4.819 77 HB2 LYS 14 1HB LYS 14 -9.388 -5.083 -5.698 78 HB3 LYS 14 2HB LYS 14 -10.378 -4.150 -4.583 79 HG2 LYS 14 1HG LYS 14 -9.200 -2.125 -5.822 80 HG3 LYS 14 2HG LYS 14 -9.069 -3.326 -7.109 81 HD2 LYS 14 1HD LYS 14 -11.560 -3.749 -6.725 82 HD3 LYS 14 2HD LYS 14 -11.548 -2.250 -5.793 83 HE2 LYS 14 1HE LYS 14 -10.885 -0.980 -7.688 84 HE3 LYS 14 2HE LYS 14 -10.536 -2.434 -8.622 85 HZ1 LYS 14 3HZ LYS 14 -13.060 -2.885 -8.153 86 HZ2 LYS 14 1HZ LYS 14 -12.577 -1.899 -9.439 87 HZ3 LYS 14 2HZ LYS 14 -13.117 -1.202 -7.996 88 H CYS 15 H CYS 15 -6.799 -2.049 -5.023 89 HA CYS 15 HA CYS 15 -6.930 -0.318 -2.839 90 HB2 CYS 15 1HB CYS 15 -5.422 -0.344 -5.022 91 HB3 CYS 15 2HB CYS 15 -6.621 0.817 -5.582 92 H GLN 16 H GLN 16 -7.773 2.042 -3.152 93 HA GLN 16 HA GLN 16 -10.528 1.932 -4.186 94 HB2 GLN 16 1HB GLN 16 -9.734 3.461 -1.715 95 HB3 GLN 16 2HB GLN 16 -11.355 3.094 -2.288 96 HG2 GLN 16 1HG GLN 16 -9.558 0.825 -1.633 97 HG3 GLN 16 2HG GLN 16 -10.239 1.765 -0.305 98 HE21 GLN 16 1HE2 GLN 16 -10.878 -0.462 -2.863 99 HE22 GLN 16 2HE2 GLN 16 -12.519 -0.802 -2.445 100 H VAL 17 H VAL 17 -7.578 3.682 -3.828 101 HA VAL 17 HA VAL 17 -8.655 6.202 -4.743 102 HB VAL 17 HB VAL 17 -6.198 6.838 -4.893 103 HG11 VAL 17 1HG1 VAL 17 -7.473 5.941 -2.323 104 HG12 VAL 17 2HG1 VAL 17 -5.942 6.818 -2.368 105 HG13 VAL 17 3HG1 VAL 17 -7.407 7.565 -3.005 106 HG21 VAL 17 3HG2 VAL 17 -5.807 4.230 -3.433 107 HG22 VAL 17 1HG2 VAL 17 -5.398 4.487 -5.129 108 HG23 VAL 17 2HG2 VAL 17 -4.570 5.407 -3.873 109 H CYS 18 H CYS 18 -6.747 3.547 -6.086 110 HA CYS 18 HA CYS 18 -7.044 4.766 -8.753 111 HB2 CYS 18 1HB CYS 18 -5.052 3.597 -9.440 112 HB3 CYS 18 2HB CYS 18 -4.696 4.470 -7.953 113 H GLY 19 H GLY 19 -7.547 1.928 -6.796 114 HA2 GLY 19 1HA GLY 19 -9.236 0.336 -7.222 115 HA3 GLY 19 2HA GLY 19 -9.234 0.820 -8.911 116 H LYS 20 H LYS 20 -6.222 0.197 -7.323 117 HA LYS 20 HA LYS 20 -5.532 -1.830 -9.198 118 HB2 LYS 20 1HB LYS 20 -4.223 -0.539 -6.857 119 HB3 LYS 20 2HB LYS 20 -3.593 -2.095 -7.381 120 HG2 LYS 20 1HG LYS 20 -3.997 0.116 -9.352 121 HG3 LYS 20 2HG LYS 20 -2.560 0.070 -8.328 122 HD2 LYS 20 1HD LYS 20 -2.358 -2.380 -9.160 123 HD3 LYS 20 2HD LYS 20 -3.436 -1.850 -10.453 124 HE2 LYS 20 1HE LYS 20 -0.868 -0.442 -9.751 125 HE3 LYS 20 2HE LYS 20 -0.973 -1.719 -10.962 126 HZ1 LYS 20 3HZ LYS 20 -2.981 0.142 -11.503 127 HZ2 LYS 20 1HZ LYS 20 -1.608 -0.208 -12.427 128 HZ3 LYS 20 2HZ LYS 20 -1.550 1.009 -11.254 129 H ALA 21 H ALA 21 -4.404 -3.899 -8.190 130 HA ALA 21 HA ALA 21 -5.942 -5.049 -6.009 131 HB1 ALA 21 3HB ALA 21 -6.247 -5.874 -8.852 132 HB2 ALA 21 1HB ALA 21 -6.299 -7.116 -7.599 133 HB3 ALA 21 2HB ALA 21 -7.451 -5.779 -7.567 134 H PHE 22 H PHE 22 -4.981 -6.881 -5.082 135 HA PHE 22 HA PHE 22 -2.539 -7.944 -6.222 136 HB2 PHE 22 1HB PHE 22 -2.363 -6.798 -3.447 137 HB3 PHE 22 2HB PHE 22 -1.056 -7.285 -4.521 138 HD1 PHE 22 HD2 PHE 22 -3.895 -4.863 -4.450 139 HD2 PHE 22 HD1 PHE 22 0.149 -5.624 -5.540 140 HE1 PHE 22 HE2 PHE 22 -3.667 -2.537 -5.219 141 HE2 PHE 22 HE1 PHE 22 0.383 -3.299 -6.310 142 HZ PHE 22 HZ PHE 22 -1.527 -1.752 -6.151 143 H ARG 23 H ARG 23 -2.512 -10.059 -5.868 144 HA ARG 23 HA ARG 23 -4.444 -11.417 -4.390 145 HB2 ARG 23 1HB ARG 23 -2.564 -13.300 -4.511 146 HB3 ARG 23 2HB ARG 23 -3.496 -12.817 -5.922 147 HG2 ARG 23 1HG ARG 23 -1.730 -11.771 -6.907 148 HG3 ARG 23 2HG ARG 23 -0.970 -11.364 -5.367 149 HD2 ARG 23 1HD ARG 23 -1.085 -14.103 -6.625 150 HD3 ARG 23 2HD ARG 23 0.324 -13.044 -6.575 151 HE ARG 23 HE ARG 23 -0.730 -13.618 -3.976 152 HH11 ARG 23 1HH1 ARG 23 1.323 -14.802 -6.526 153 HH12 ARG 23 2HH1 ARG 23 2.282 -15.790 -5.474 154 HH21 ARG 23 1HH2 ARG 23 0.525 -14.915 -2.580 155 HH22 ARG 23 2HH2 ARG 23 1.826 -15.854 -3.229 156 H VAL 24 H VAL 24 -1.505 -9.941 -3.380 157 HA VAL 24 HA VAL 24 -1.726 -11.241 -0.744 158 HB VAL 24 HB VAL 24 0.596 -10.776 -0.359 159 HG11 VAL 24 1HG1 VAL 24 0.355 -12.815 -1.483 160 HG12 VAL 24 2HG1 VAL 24 -0.016 -12.027 -3.018 161 HG13 VAL 24 3HG1 VAL 24 1.624 -11.974 -2.372 162 HG21 VAL 24 3HG2 VAL 24 1.856 -9.282 -1.483 163 HG22 VAL 24 1HG2 VAL 24 1.168 -9.720 -3.046 164 HG23 VAL 24 2HG2 VAL 24 0.294 -8.628 -1.973 165 H SER 25 H SER 25 -1.040 -9.838 1.104 166 HA SER 25 HA SER 25 -2.364 -7.254 0.857 167 HB2 SER 25 1HB SER 25 -3.089 -8.571 2.726 168 HB3 SER 25 2HB SER 25 -1.428 -8.851 3.248 169 HG SER 25 HG SER 25 -1.296 -6.552 3.601 170 H SER 26 H SER 26 0.772 -8.607 1.752 171 HA SER 26 HA SER 26 2.063 -6.340 2.659 172 HB2 SER 26 1HB SER 26 4.165 -7.430 1.877 173 HB3 SER 26 2HB SER 26 3.114 -8.524 2.776 174 HG SER 26 HG SER 26 3.647 -8.437 0.014 175 H HIS 27 H HIS 27 2.037 -7.565 -0.691 176 HA HIS 27 HA HIS 27 3.422 -5.453 -1.860 177 HB2 HIS 27 1HB HIS 27 1.284 -7.250 -3.016 178 HB3 HIS 27 2HB HIS 27 2.264 -6.148 -3.979 179 HD2 HIS 27 HD2 HIS 27 4.633 -7.578 -1.499 180 HE1 HIS 27 HE1 HIS 27 4.673 -10.309 -4.746 181 HE2 HIS 27 HE2 HIS 27 5.772 -9.632 -2.583 182 H LEU 28 H LEU 28 -0.115 -5.929 -1.785 183 HA LEU 28 HA LEU 28 -0.945 -3.607 -2.952 184 HB2 LEU 28 1HB LEU 28 -2.606 -5.140 -2.382 185 HB3 LEU 28 2HB LEU 28 -2.088 -5.216 -0.700 186 HG LEU 28 HG LEU 28 -3.027 -3.018 -0.282 187 HD11 LEU 28 1HD1 LEU 28 -3.994 -3.044 -3.133 188 HD12 LEU 28 2HD1 LEU 28 -2.596 -2.129 -2.571 189 HD13 LEU 28 3HD1 LEU 28 -4.201 -1.763 -1.939 190 HD21 LEU 28 3HD2 LEU 28 -5.322 -4.174 -1.671 191 HD22 LEU 28 1HD2 LEU 28 -5.075 -3.855 0.046 192 HD23 LEU 28 2HD2 LEU 28 -4.435 -5.330 -0.678 193 H VAL 29 H VAL 29 0.257 -4.037 0.321 194 HA VAL 29 HA VAL 29 -0.446 -1.486 1.312 195 HB VAL 29 HB VAL 29 1.757 -3.370 2.157 196 HG11 VAL 29 1HG1 VAL 29 1.825 -2.067 4.245 197 HG12 VAL 29 2HG1 VAL 29 2.321 -1.114 2.845 198 HG13 VAL 29 3HG1 VAL 29 0.712 -0.899 3.535 199 HG21 VAL 29 3HG2 VAL 29 -1.078 -3.361 2.538 200 HG22 VAL 29 1HG2 VAL 29 0.115 -4.535 3.094 201 HG23 VAL 29 2HG2 VAL 29 -0.278 -3.135 4.093 202 H GLN 30 H GLN 30 2.687 -2.719 0.131 203 HA GLN 30 HA GLN 30 4.111 -0.342 0.281 204 HB2 GLN 30 1HB GLN 30 4.413 -2.559 -1.752 205 HB3 GLN 30 2HB GLN 30 5.616 -1.324 -1.407 206 HG2 GLN 30 1HG GLN 30 4.639 -3.477 0.452 207 HG3 GLN 30 2HG GLN 30 6.231 -3.350 -0.295 208 HE21 GLN 30 1HE2 GLN 30 4.034 -1.807 1.980 209 HE22 GLN 30 2HE2 GLN 30 5.260 -1.052 2.935 210 H HIS 31 H HIS 31 1.674 -1.318 -1.960 211 HA HIS 31 HA HIS 31 2.370 0.675 -3.941 212 HB2 HIS 31 1HB HIS 31 1.408 -1.088 -5.043 213 HB3 HIS 31 2HB HIS 31 0.342 -1.486 -3.699 214 HD1 HIS 31 HD1 HIS 31 0.608 0.813 -6.662 215 HD2 HIS 31 HD2 HIS 31 -2.175 -0.336 -3.799 216 HE1 HIS 31 HE1 HIS 31 -1.586 1.771 -7.433 217 H HIS 32 H HIS 32 0.342 0.407 -1.158 218 HA HIS 32 HA HIS 32 -1.529 2.433 -1.763 219 HB2 HIS 32 1HB HIS 32 -0.626 1.034 0.706 220 HB3 HIS 32 2HB HIS 32 -1.510 2.544 0.903 221 HD2 HIS 32 HD2 HIS 32 -2.502 -0.848 1.240 222 HE1 HIS 32 HE1 HIS 32 -5.588 0.693 -1.230 223 HE2 HIS 32 HE2 HIS 32 -4.911 -1.149 0.349 224 H SER 33 H SER 33 1.746 2.662 -1.386 225 HA SER 33 HA SER 33 1.597 5.415 -0.351 226 HB2 SER 33 1HB SER 33 3.686 3.285 -0.165 227 HB3 SER 33 2HB SER 33 4.202 4.972 -0.174 228 HG SER 33 HG SER 33 3.171 3.558 1.840 229 H VAL 34 H VAL 34 1.405 4.048 -3.176 230 HA VAL 34 HA VAL 34 3.519 5.479 -4.575 231 HB VAL 34 HB VAL 34 2.896 4.322 -6.522 232 HG11 VAL 34 1HG1 VAL 34 2.809 2.739 -4.021 233 HG12 VAL 34 2HG1 VAL 34 2.352 1.916 -5.513 234 HG13 VAL 34 3HG1 VAL 34 3.941 2.667 -5.371 235 HG21 VAL 34 3HG2 VAL 34 0.619 2.833 -6.037 236 HG22 VAL 34 1HG2 VAL 34 0.247 4.408 -5.335 237 HG23 VAL 34 2HG2 VAL 34 0.722 4.287 -7.030 238 H HIS 35 H HIS 35 0.368 6.066 -3.527 239 HA HIS 35 HA HIS 35 -0.155 8.031 -5.639 240 HB2 HIS 35 1HB HIS 35 -2.056 7.368 -3.407 241 HB3 HIS 35 2HB HIS 35 -2.416 7.993 -5.013 242 HD1 HIS 35 HD1 HIS 35 -1.891 6.182 -7.015 243 HD2 HIS 35 HD2 HIS 35 -2.416 4.695 -3.171 244 HE1 HIS 35 HE1 HIS 35 -2.399 3.736 -7.304 245 H SER 36 H SER 36 1.868 8.361 -3.506 246 HA SER 36 HA SER 36 0.741 10.495 -1.865 247 HB2 SER 36 1HB SER 36 2.905 10.461 -0.698 248 HB3 SER 36 2HB SER 36 2.205 8.845 -0.776 249 HG SER 36 HG SER 36 4.152 8.412 -1.508 250 H GLY 37 H GLY 37 3.119 9.992 -4.422 251 HA2 GLY 37 1HA GLY 37 4.306 12.504 -4.483 252 HA3 GLY 37 2HA GLY 37 4.098 11.465 -5.885 253 H GLU 38 H GLU 38 2.699 12.058 -7.438 254 HA GLU 38 HA GLU 38 0.764 14.182 -6.829 255 HB2 GLU 38 1HB GLU 38 2.715 14.121 -9.131 256 HB3 GLU 38 2HB GLU 38 1.308 15.175 -9.087 257 HG2 GLU 38 1HG GLU 38 3.434 15.181 -6.964 258 HG3 GLU 38 2HG GLU 38 3.483 16.216 -8.391 259 H ARG 39 H ARG 39 -1.147 14.121 -7.988 260 HA ARG 39 HA ARG 39 -1.518 11.753 -9.704 261 HB2 ARG 39 1HB ARG 39 -3.228 12.899 -7.532 262 HB3 ARG 39 2HB ARG 39 -3.996 12.062 -8.874 263 HG2 ARG 39 1HG ARG 39 -2.686 10.063 -8.388 264 HG3 ARG 39 2HG ARG 39 -1.898 10.903 -7.051 265 HD2 ARG 39 1HD ARG 39 -4.855 10.357 -7.282 266 HD3 ARG 39 2HD ARG 39 -3.722 9.445 -6.287 267 HE ARG 39 HE ARG 39 -3.676 11.188 -4.769 268 HH11 ARG 39 1HH1 ARG 39 -5.426 12.115 -7.633 269 HH12 ARG 39 2HH1 ARG 39 -6.082 13.553 -6.924 270 HH21 ARG 39 1HH2 ARG 39 -4.534 13.079 -3.825 271 HH22 ARG 39 2HH2 ARG 39 -5.574 14.101 -4.758 272 HA PRO 40 HA PRO 40 -2.833 14.481 -12.893 273 HB2 PRO 40 1HB PRO 40 -4.409 12.789 -14.316 274 HB3 PRO 40 2HB PRO 40 -2.644 12.682 -14.310 275 HG2 PRO 40 1HG PRO 40 -4.644 11.083 -12.758 276 HG3 PRO 40 2HG PRO 40 -3.183 10.534 -13.600 277 HD2 PRO 40 1HD PRO 40 -3.265 10.915 -10.920 278 HD3 PRO 40 2HD PRO 40 -1.795 11.185 -11.878 279 H SER 41 H SER 41 -4.784 15.398 -13.898 280 HA SER 41 HA SER 41 -6.689 16.173 -11.987 281 HB2 SER 41 1HB SER 41 -6.696 16.385 -15.003 282 HB3 SER 41 2HB SER 41 -7.924 17.124 -13.976 283 HG SER 41 HG SER 41 -5.267 17.635 -13.333 284 H GLY 42 H GLY 42 -7.803 14.509 -11.053 285 HA2 GLY 42 1HA GLY 42 -9.599 13.005 -12.853 286 HA3 GLY 42 2HA GLY 42 -8.798 12.237 -11.490 287 HA PRO 43 HA PRO 43 -13.004 14.194 -10.368 288 HB2 PRO 43 1HB PRO 43 -14.517 11.940 -10.340 289 HB3 PRO 43 2HB PRO 43 -14.338 12.959 -11.773 290 HG2 PRO 43 1HG PRO 43 -12.936 10.408 -11.076 291 HG3 PRO 43 2HG PRO 43 -13.615 10.922 -12.631 292 HD2 PRO 43 1HD PRO 43 -10.969 11.072 -12.075 293 HD3 PRO 43 2HD PRO 43 -11.790 12.236 -13.136 294 H SER 44 H SER 44 -14.522 13.088 -8.552 295 HA SER 44 HA SER 44 -13.091 11.449 -6.671 296 HB2 SER 44 1HB SER 44 -11.993 13.461 -6.051 297 HB3 SER 44 2HB SER 44 -13.484 14.397 -6.153 298 HG SER 44 HG SER 44 -13.961 13.821 -4.188 299 H SER 45 H SER 45 -14.478 10.350 -5.414 300 HA SER 45 HA SER 45 -17.079 11.405 -4.738 301 HB2 SER 45 1HB SER 45 -16.740 9.162 -6.716 302 HB3 SER 45 2HB SER 45 -18.185 9.277 -5.712 303 HG SER 45 HG SER 45 -18.636 10.386 -7.557 304 H GLY 46 H GLY 46 -17.104 10.981 -2.630 305 HA2 GLY 46 1HA GLY 46 -17.643 8.928 -1.198 306 HA3 GLY 46 2HA GLY 46 -16.050 8.387 -1.706 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.201 -22.220 -25.447 2 HA2 GLY 1 1HA GLY 1 0.542 -21.852 -23.905 3 HA3 GLY 1 2HA GLY 1 1.414 -22.985 -22.882 4 H SER 2 H SER 2 0.315 -19.858 -23.146 5 HA SER 2 HA SER 2 2.271 -18.890 -21.165 6 HB2 SER 2 1HB SER 2 1.823 -16.635 -21.921 7 HB3 SER 2 2HB SER 2 2.218 -17.628 -23.324 8 HG SER 2 HG SER 2 -0.460 -17.555 -22.698 9 H SER 3 H SER 3 1.562 -18.143 -19.236 10 HA SER 3 HA SER 3 -1.298 -17.725 -18.817 11 HB2 SER 3 1HB SER 3 -1.442 -19.226 -16.950 12 HB3 SER 3 2HB SER 3 -0.757 -20.135 -18.297 13 HG SER 3 HG SER 3 0.482 -20.563 -16.507 14 H GLY 4 H GLY 4 -1.679 -16.943 -16.487 15 HA2 GLY 4 1HA GLY 4 0.035 -14.684 -16.066 16 HA3 GLY 4 2HA GLY 4 -1.367 -15.123 -15.102 17 H SER 5 H SER 5 1.970 -14.890 -15.147 18 HA SER 5 HA SER 5 2.810 -17.003 -13.530 19 HB2 SER 5 1HB SER 5 4.764 -15.660 -13.035 20 HB3 SER 5 2HB SER 5 4.318 -15.408 -14.723 21 HG SER 5 HG SER 5 4.803 -13.496 -13.294 22 H SER 6 H SER 6 1.608 -13.788 -12.636 23 HA SER 6 HA SER 6 1.287 -14.770 -9.875 24 HB2 SER 6 1HB SER 6 2.939 -12.796 -10.440 25 HB3 SER 6 2HB SER 6 1.456 -11.842 -10.480 26 HG SER 6 HG SER 6 2.759 -13.009 -8.340 27 H GLY 7 H GLY 7 -0.665 -15.254 -11.796 28 HA2 GLY 7 1HA GLY 7 -2.847 -13.585 -10.744 29 HA3 GLY 7 2HA GLY 7 -2.707 -13.825 -12.479 30 H THR 8 H THR 8 -4.316 -14.839 -9.828 31 HA THR 8 HA THR 8 -4.940 -17.426 -11.078 32 HB THR 8 HB THR 8 -3.504 -17.821 -9.101 33 HG1 THR 8 HG1 THR 8 -5.302 -19.256 -9.736 34 HG21 THR 8 3HG2 THR 8 -4.802 -17.457 -6.860 35 HG22 THR 8 1HG2 THR 8 -5.638 -16.201 -7.772 36 HG23 THR 8 2HG2 THR 8 -3.887 -16.129 -7.572 37 H GLY 9 H GLY 9 -6.361 -15.033 -11.455 38 HA2 GLY 9 1HA GLY 9 -8.747 -14.919 -11.702 39 HA3 GLY 9 2HA GLY 9 -8.906 -15.767 -10.171 40 H GLU 10 H GLU 10 -10.473 -13.771 -10.151 41 HA GLU 10 HA GLU 10 -9.584 -11.184 -9.748 42 HB2 GLU 10 1HB GLU 10 -11.941 -12.692 -8.645 43 HB3 GLU 10 2HB GLU 10 -11.660 -11.007 -8.227 44 HG2 GLU 10 1HG GLU 10 -11.680 -10.463 -10.649 45 HG3 GLU 10 2HG GLU 10 -12.125 -12.137 -10.976 46 H LYS 11 H LYS 11 -8.498 -10.161 -8.192 47 HA LYS 11 HA LYS 11 -7.483 -11.667 -5.954 48 HB2 LYS 11 1HB LYS 11 -7.079 -8.803 -6.827 49 HB3 LYS 11 2HB LYS 11 -6.290 -9.516 -5.427 50 HG2 LYS 11 1HG LYS 11 -4.972 -10.919 -6.725 51 HG3 LYS 11 2HG LYS 11 -6.029 -10.771 -8.131 52 HD2 LYS 11 1HD LYS 11 -5.354 -8.402 -8.342 53 HD3 LYS 11 2HD LYS 11 -4.240 -8.623 -6.991 54 HE2 LYS 11 1HE LYS 11 -2.807 -9.945 -8.217 55 HE3 LYS 11 2HE LYS 11 -4.070 -10.463 -9.333 56 HZ1 LYS 11 3HZ LYS 11 -3.646 -8.768 -10.692 57 HZ2 LYS 11 1HZ LYS 11 -2.204 -8.558 -9.830 58 HZ3 LYS 11 2HZ LYS 11 -3.568 -7.640 -9.433 59 HA PRO 12 HA PRO 12 -10.481 -10.461 -2.966 60 HB2 PRO 12 1HB PRO 12 -8.989 -10.734 -0.714 61 HB3 PRO 12 2HB PRO 12 -9.601 -12.114 -1.634 62 HG2 PRO 12 1HG PRO 12 -6.877 -10.873 -1.668 63 HG3 PRO 12 2HG PRO 12 -7.325 -12.589 -1.658 64 HD2 PRO 12 1HD PRO 12 -6.581 -11.291 -3.915 65 HD3 PRO 12 2HD PRO 12 -7.760 -12.618 -3.921 66 H TYR 13 H TYR 13 -7.294 -8.946 -2.915 67 HA TYR 13 HA TYR 13 -8.409 -6.625 -1.510 68 HB2 TYR 13 1HB TYR 13 -5.508 -6.898 -2.202 69 HB3 TYR 13 2HB TYR 13 -6.254 -6.069 -0.841 70 HD1 TYR 13 HD2 TYR 13 -8.045 -8.300 0.109 71 HD2 TYR 13 HD1 TYR 13 -3.962 -8.286 -1.090 72 HE1 TYR 13 HE2 TYR 13 -7.625 -10.260 1.535 73 HE2 TYR 13 HE1 TYR 13 -3.532 -10.246 0.331 74 HH TYR 13 HH TYR 13 -5.649 -12.257 1.380 75 H LYS 14 H LYS 14 -8.408 -4.587 -2.386 76 HA LYS 14 HA LYS 14 -7.184 -4.048 -4.938 77 HB2 LYS 14 1HB LYS 14 -9.161 -5.124 -5.766 78 HB3 LYS 14 2HB LYS 14 -10.186 -4.214 -4.663 79 HG2 LYS 14 1HG LYS 14 -9.126 -2.164 -5.966 80 HG3 LYS 14 2HG LYS 14 -8.945 -3.389 -7.224 81 HD2 LYS 14 1HD LYS 14 -11.444 -3.918 -6.647 82 HD3 LYS 14 2HD LYS 14 -11.430 -2.278 -5.995 83 HE2 LYS 14 1HE LYS 14 -10.416 -1.604 -8.254 84 HE3 LYS 14 2HE LYS 14 -10.954 -3.186 -8.816 85 HZ1 LYS 14 3HZ LYS 14 -12.619 -1.557 -9.313 86 HZ2 LYS 14 1HZ LYS 14 -12.664 -1.027 -7.707 87 HZ3 LYS 14 2HZ LYS 14 -13.216 -2.576 -8.102 88 H CYS 15 H CYS 15 -6.591 -1.975 -5.017 89 HA CYS 15 HA CYS 15 -6.912 -0.223 -2.888 90 HB2 CYS 15 1HB CYS 15 -5.307 -0.212 -5.004 91 HB3 CYS 15 2HB CYS 15 -6.519 0.906 -5.622 92 H GLN 16 H GLN 16 -7.820 2.106 -3.268 93 HA GLN 16 HA GLN 16 -10.519 1.889 -4.425 94 HB2 GLN 16 1HB GLN 16 -9.879 3.440 -1.919 95 HB3 GLN 16 2HB GLN 16 -11.466 3.061 -2.577 96 HG2 GLN 16 1HG GLN 16 -9.540 0.985 -1.568 97 HG3 GLN 16 2HG GLN 16 -10.795 1.727 -0.578 98 HE21 GLN 16 1HE2 GLN 16 -10.310 -1.063 -1.581 99 HE22 GLN 16 2HE2 GLN 16 -11.807 -1.527 -2.306 100 H VAL 17 H VAL 17 -7.678 3.792 -3.862 101 HA VAL 17 HA VAL 17 -8.793 6.248 -4.874 102 HB VAL 17 HB VAL 17 -6.348 6.965 -4.914 103 HG11 VAL 17 1HG1 VAL 17 -7.678 7.692 -3.112 104 HG12 VAL 17 2HG1 VAL 17 -7.743 6.077 -2.403 105 HG13 VAL 17 3HG1 VAL 17 -6.236 6.993 -2.376 106 HG21 VAL 17 3HG2 VAL 17 -5.874 4.510 -3.256 107 HG22 VAL 17 1HG2 VAL 17 -5.596 4.510 -4.998 108 HG23 VAL 17 2HG2 VAL 17 -4.696 5.616 -3.961 109 H CYS 18 H CYS 18 -6.826 3.609 -6.123 110 HA CYS 18 HA CYS 18 -6.974 4.838 -8.798 111 HB2 CYS 18 1HB CYS 18 -4.942 3.672 -9.383 112 HB3 CYS 18 2HB CYS 18 -4.668 4.567 -7.892 113 H GLY 19 H GLY 19 -7.459 1.944 -6.890 114 HA2 GLY 19 1HA GLY 19 -9.128 0.341 -7.387 115 HA3 GLY 19 2HA GLY 19 -9.076 0.845 -9.070 116 H LYS 20 H LYS 20 -6.127 0.232 -7.348 117 HA LYS 20 HA LYS 20 -5.322 -1.746 -9.233 118 HB2 LYS 20 1HB LYS 20 -4.136 -0.494 -6.803 119 HB3 LYS 20 2HB LYS 20 -3.454 -2.018 -7.354 120 HG2 LYS 20 1HG LYS 20 -3.820 0.282 -9.236 121 HG3 LYS 20 2HG LYS 20 -2.404 0.166 -8.187 122 HD2 LYS 20 1HD LYS 20 -3.154 -2.223 -9.790 123 HD3 LYS 20 2HD LYS 20 -2.424 -0.855 -10.634 124 HE2 LYS 20 1HE LYS 20 -0.524 -0.921 -9.097 125 HE3 LYS 20 2HE LYS 20 -1.256 -2.279 -8.244 126 HZ1 LYS 20 3HZ LYS 20 -0.945 -2.646 -11.098 127 HZ2 LYS 20 1HZ LYS 20 -0.631 -3.717 -9.827 128 HZ3 LYS 20 2HZ LYS 20 0.506 -2.534 -10.235 129 H ALA 21 H ALA 21 -4.244 -3.833 -8.264 130 HA ALA 21 HA ALA 21 -5.852 -5.040 -6.159 131 HB1 ALA 21 3HB ALA 21 -7.110 -5.435 -8.254 132 HB2 ALA 21 1HB ALA 21 -5.710 -6.293 -8.897 133 HB3 ALA 21 2HB ALA 21 -6.559 -6.923 -7.484 134 H PHE 22 H PHE 22 -4.823 -6.685 -5.087 135 HA PHE 22 HA PHE 22 -2.370 -7.806 -6.171 136 HB2 PHE 22 1HB PHE 22 -2.221 -6.624 -3.419 137 HB3 PHE 22 2HB PHE 22 -0.913 -7.039 -4.521 138 HD1 PHE 22 HD2 PHE 22 -3.872 -4.765 -4.418 139 HD2 PHE 22 HD1 PHE 22 0.211 -5.300 -5.495 140 HE1 PHE 22 HE2 PHE 22 -3.766 -2.423 -5.165 141 HE2 PHE 22 HE1 PHE 22 0.324 -2.958 -6.243 142 HZ PHE 22 HZ PHE 22 -1.667 -1.517 -6.079 143 H ARG 23 H ARG 23 -2.854 -9.901 -6.010 144 HA ARG 23 HA ARG 23 -4.631 -11.163 -4.374 145 HB2 ARG 23 1HB ARG 23 -3.313 -13.229 -4.720 146 HB3 ARG 23 2HB ARG 23 -3.543 -12.316 -6.205 147 HG2 ARG 23 1HG ARG 23 -1.322 -11.637 -6.281 148 HG3 ARG 23 2HG ARG 23 -1.060 -11.984 -4.570 149 HD2 ARG 23 1HD ARG 23 -1.405 -13.961 -6.816 150 HD3 ARG 23 2HD ARG 23 0.040 -13.679 -5.847 151 HE ARG 23 HE ARG 23 -1.958 -14.408 -4.081 152 HH11 ARG 23 1HH1 ARG 23 -0.303 -15.814 -6.802 153 HH12 ARG 23 2HH1 ARG 23 -0.475 -17.441 -6.232 154 HH21 ARG 23 1HH2 ARG 23 -2.190 -16.546 -3.320 155 HH22 ARG 23 2HH2 ARG 23 -1.549 -17.857 -4.251 156 H VAL 24 H VAL 24 -1.603 -9.814 -3.483 157 HA VAL 24 HA VAL 24 -1.758 -11.120 -0.845 158 HB VAL 24 HB VAL 24 0.565 -10.880 -0.572 159 HG11 VAL 24 1HG1 VAL 24 -0.449 -12.358 -2.631 160 HG12 VAL 24 2HG1 VAL 24 0.829 -11.442 -3.432 161 HG13 VAL 24 3HG1 VAL 24 1.208 -12.451 -2.035 162 HG21 VAL 24 3HG2 VAL 24 1.600 -9.037 -1.256 163 HG22 VAL 24 1HG2 VAL 24 1.512 -9.626 -2.917 164 HG23 VAL 24 2HG2 VAL 24 0.224 -8.610 -2.272 165 H SER 25 H SER 25 -1.180 -9.808 1.014 166 HA SER 25 HA SER 25 -2.402 -7.203 0.866 167 HB2 SER 25 1HB SER 25 -2.914 -8.512 2.805 168 HB3 SER 25 2HB SER 25 -1.205 -8.782 3.149 169 HG SER 25 HG SER 25 -2.095 -7.147 4.477 170 H SER 26 H SER 26 0.823 -8.478 1.618 171 HA SER 26 HA SER 26 2.164 -6.209 2.330 172 HB2 SER 26 1HB SER 26 3.382 -8.233 2.377 173 HB3 SER 26 2HB SER 26 3.053 -8.568 0.677 174 HG SER 26 HG SER 26 5.098 -7.800 0.711 175 H HIS 27 H HIS 27 2.519 -7.421 -0.990 176 HA HIS 27 HA HIS 27 3.515 -5.281 -2.247 177 HB2 HIS 27 1HB HIS 27 1.408 -7.212 -3.178 178 HB3 HIS 27 2HB HIS 27 1.997 -5.939 -4.243 179 HD2 HIS 27 HD2 HIS 27 4.660 -7.635 -2.008 180 HE1 HIS 27 HE1 HIS 27 5.076 -9.179 -5.938 181 HE2 HIS 27 HE2 HIS 27 6.035 -9.130 -3.610 182 H LEU 28 H LEU 28 0.009 -5.743 -1.787 183 HA LEU 28 HA LEU 28 -0.862 -3.356 -2.883 184 HB2 LEU 28 1HB LEU 28 -2.499 -4.940 -2.363 185 HB3 LEU 28 2HB LEU 28 -1.943 -5.097 -0.698 186 HG LEU 28 HG LEU 28 -2.851 -2.874 -0.193 187 HD11 LEU 28 1HD1 LEU 28 -3.857 -2.949 -3.034 188 HD12 LEU 28 2HD1 LEU 28 -2.625 -1.862 -2.392 189 HD13 LEU 28 3HD1 LEU 28 -4.289 -1.746 -1.819 190 HD21 LEU 28 3HD2 LEU 28 -4.657 -4.013 0.406 191 HD22 LEU 28 1HD2 LEU 28 -4.328 -5.232 -0.824 192 HD23 LEU 28 2HD2 LEU 28 -5.304 -3.818 -1.224 193 H VAL 29 H VAL 29 0.344 -4.017 0.363 194 HA VAL 29 HA VAL 29 -0.298 -1.548 1.538 195 HB VAL 29 HB VAL 29 1.992 -3.415 2.169 196 HG11 VAL 29 1HG1 VAL 29 1.047 -1.866 4.394 197 HG12 VAL 29 2HG1 VAL 29 2.678 -1.993 3.732 198 HG13 VAL 29 3HG1 VAL 29 1.552 -0.800 3.083 199 HG21 VAL 29 3HG2 VAL 29 0.083 -3.585 4.164 200 HG22 VAL 29 1HG2 VAL 29 -0.863 -3.505 2.678 201 HG23 VAL 29 2HG2 VAL 29 0.360 -4.760 2.879 202 H GLN 30 H GLN 30 2.795 -2.649 0.140 203 HA GLN 30 HA GLN 30 4.167 -0.234 0.406 204 HB2 GLN 30 1HB GLN 30 4.508 -2.381 -1.696 205 HB3 GLN 30 2HB GLN 30 5.671 -1.107 -1.353 206 HG2 GLN 30 1HG GLN 30 4.875 -3.419 0.381 207 HG3 GLN 30 2HG GLN 30 6.470 -3.019 -0.256 208 HE21 GLN 30 1HE2 GLN 30 4.010 -2.130 2.068 209 HE22 GLN 30 2HE2 GLN 30 5.052 -1.236 3.118 210 H HIS 31 H HIS 31 1.791 -1.249 -1.908 211 HA HIS 31 HA HIS 31 2.386 0.833 -3.811 212 HB2 HIS 31 1HB HIS 31 1.438 -0.946 -4.917 213 HB3 HIS 31 2HB HIS 31 0.364 -1.345 -3.580 214 HD1 HIS 31 HD1 HIS 31 0.653 0.955 -6.537 215 HD2 HIS 31 HD2 HIS 31 -2.141 -0.162 -3.672 216 HE1 HIS 31 HE1 HIS 31 -1.530 1.937 -7.308 217 H HIS 32 H HIS 32 0.488 0.504 -0.964 218 HA HIS 32 HA HIS 32 -1.427 2.536 -1.508 219 HB2 HIS 32 1HB HIS 32 -0.542 1.022 0.902 220 HB3 HIS 32 2HB HIS 32 -1.440 2.515 1.154 221 HD2 HIS 32 HD2 HIS 32 -2.394 -0.913 1.297 222 HE1 HIS 32 HE1 HIS 32 -5.489 0.743 -1.085 223 HE2 HIS 32 HE2 HIS 32 -4.798 -1.184 0.382 224 H SER 33 H SER 33 1.820 2.775 -1.223 225 HA SER 33 HA SER 33 1.689 5.457 -0.009 226 HB2 SER 33 1HB SER 33 4.037 3.552 -0.179 227 HB3 SER 33 2HB SER 33 4.103 5.182 0.492 228 HG SER 33 HG SER 33 2.168 4.163 1.780 229 H VAL 34 H VAL 34 1.573 4.148 -2.903 230 HA VAL 34 HA VAL 34 3.677 5.612 -4.244 231 HB VAL 34 HB VAL 34 2.865 4.665 -6.282 232 HG11 VAL 34 1HG1 VAL 34 2.960 2.843 -3.920 233 HG12 VAL 34 2HG1 VAL 34 2.581 2.185 -5.513 234 HG13 VAL 34 3HG1 VAL 34 4.108 3.026 -5.246 235 HG21 VAL 34 3HG2 VAL 34 0.716 3.073 -5.811 236 HG22 VAL 34 1HG2 VAL 34 0.355 4.454 -4.775 237 HG23 VAL 34 2HG2 VAL 34 0.626 4.693 -6.501 238 H HIS 35 H HIS 35 0.310 6.029 -3.486 239 HA HIS 35 HA HIS 35 -0.039 8.220 -5.350 240 HB2 HIS 35 1HB HIS 35 -1.960 7.517 -3.148 241 HB3 HIS 35 2HB HIS 35 -2.300 8.230 -4.722 242 HD1 HIS 35 HD1 HIS 35 -1.638 6.446 -6.791 243 HD2 HIS 35 HD2 HIS 35 -2.611 4.903 -3.058 244 HE1 HIS 35 HE1 HIS 35 -2.279 4.049 -7.201 245 H SER 36 H SER 36 2.011 8.422 -3.260 246 HA SER 36 HA SER 36 1.016 10.860 -1.941 247 HB2 SER 36 1HB SER 36 2.587 10.294 -0.044 248 HB3 SER 36 2HB SER 36 1.198 9.220 -0.203 249 HG SER 36 HG SER 36 2.887 7.867 -0.002 250 H GLY 37 H GLY 37 2.062 12.589 -2.652 251 HA2 GLY 37 1HA GLY 37 4.899 12.751 -2.723 252 HA3 GLY 37 2HA GLY 37 4.253 12.588 -4.349 253 H GLU 38 H GLU 38 2.960 14.251 -5.214 254 HA GLU 38 HA GLU 38 3.545 16.857 -4.058 255 HB2 GLU 38 1HB GLU 38 2.380 16.014 -6.712 256 HB3 GLU 38 2HB GLU 38 2.546 17.694 -6.223 257 HG2 GLU 38 1HG GLU 38 4.918 15.883 -6.187 258 HG3 GLU 38 2HG GLU 38 4.364 16.597 -7.701 259 H ARG 39 H ARG 39 2.110 18.109 -3.041 260 HA ARG 39 HA ARG 39 -0.507 17.074 -2.466 261 HB2 ARG 39 1HB ARG 39 1.087 19.450 -1.598 262 HB3 ARG 39 2HB ARG 39 -0.649 19.444 -1.321 263 HG2 ARG 39 1HG ARG 39 -0.489 17.458 0.014 264 HG3 ARG 39 2HG ARG 39 1.224 17.287 -0.376 265 HD2 ARG 39 1HD ARG 39 1.359 18.283 1.684 266 HD3 ARG 39 2HD ARG 39 1.369 19.702 0.639 267 HE ARG 39 HE ARG 39 -0.734 20.263 1.410 268 HH11 ARG 39 1HH1 ARG 39 0.161 17.095 2.542 269 HH12 ARG 39 2HH1 ARG 39 -1.142 16.990 3.679 270 HH21 ARG 39 1HH2 ARG 39 -2.454 20.137 2.902 271 HH22 ARG 39 2HH2 ARG 39 -2.630 18.721 3.882 272 HA PRO 40 HA PRO 40 -2.677 19.060 -5.754 273 HB2 PRO 40 1HB PRO 40 -5.178 18.915 -4.707 274 HB3 PRO 40 2HB PRO 40 -4.335 17.514 -5.378 275 HG2 PRO 40 1HG PRO 40 -4.646 18.347 -2.520 276 HG3 PRO 40 2HG PRO 40 -4.781 16.730 -3.235 277 HD2 PRO 40 1HD PRO 40 -2.556 17.568 -1.938 278 HD3 PRO 40 2HD PRO 40 -2.497 16.430 -3.300 279 H SER 41 H SER 41 -4.310 20.848 -6.056 280 HA SER 41 HA SER 41 -3.762 22.996 -4.119 281 HB2 SER 41 1HB SER 41 -3.038 23.114 -6.639 282 HB3 SER 41 2HB SER 41 -4.731 23.527 -6.907 283 HG SER 41 HG SER 41 -3.872 25.456 -6.522 284 H GLY 42 H GLY 42 -5.419 24.307 -3.381 285 HA2 GLY 42 1HA GLY 42 -7.750 25.065 -3.660 286 HA3 GLY 42 2HA GLY 42 -8.149 23.400 -4.057 287 HA PRO 43 HA PRO 43 -8.365 24.412 0.633 288 HB2 PRO 43 1HB PRO 43 -10.984 25.089 0.866 289 HB3 PRO 43 2HB PRO 43 -9.705 26.278 0.592 290 HG2 PRO 43 1HG PRO 43 -11.593 25.040 -1.374 291 HG3 PRO 43 2HG PRO 43 -11.076 26.731 -1.231 292 HD2 PRO 43 1HD PRO 43 -10.025 25.036 -3.062 293 HD3 PRO 43 2HD PRO 43 -9.082 26.344 -2.321 294 H SER 44 H SER 44 -8.173 22.244 1.058 295 HA SER 44 HA SER 44 -10.305 20.409 0.358 296 HB2 SER 44 1HB SER 44 -7.557 20.156 1.494 297 HB3 SER 44 2HB SER 44 -8.707 18.858 1.811 298 HG SER 44 HG SER 44 -8.537 19.770 -0.809 299 H SER 45 H SER 45 -11.210 22.413 2.047 300 HA SER 45 HA SER 45 -12.161 22.851 4.089 301 HB2 SER 45 1HB SER 45 -12.883 20.005 3.448 302 HB3 SER 45 2HB SER 45 -13.468 20.763 4.929 303 HG SER 45 HG SER 45 -15.007 21.280 3.515 304 H GLY 46 H GLY 46 -9.439 22.419 4.399 305 HA2 GLY 46 1HA GLY 46 -8.816 22.361 6.929 306 HA3 GLY 46 2HA GLY 46 -9.189 20.655 6.732 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -14.126 2.937 -22.369 2 HA2 GLY 1 1HA GLY 1 -14.485 0.563 -23.714 3 HA3 GLY 1 2HA GLY 1 -13.698 1.625 -24.872 4 H SER 2 H SER 2 -13.122 -0.722 -22.685 5 HA SER 2 HA SER 2 -10.713 0.326 -21.495 6 HB2 SER 2 1HB SER 2 -12.377 -1.524 -20.603 7 HB3 SER 2 2HB SER 2 -11.333 -2.600 -21.532 8 HG SER 2 HG SER 2 -9.652 -2.107 -20.245 9 H SER 3 H SER 3 -8.742 0.283 -22.343 10 HA SER 3 HA SER 3 -8.279 -1.420 -24.702 11 HB2 SER 3 1HB SER 3 -7.377 1.340 -23.990 12 HB3 SER 3 2HB SER 3 -6.322 0.341 -24.991 13 HG SER 3 HG SER 3 -7.643 1.400 -26.390 14 H GLY 4 H GLY 4 -7.258 -3.212 -24.049 15 HA2 GLY 4 1HA GLY 4 -5.336 -4.400 -23.454 16 HA3 GLY 4 2HA GLY 4 -4.664 -2.926 -22.772 17 H SER 5 H SER 5 -7.375 -5.169 -22.192 18 HA SER 5 HA SER 5 -7.314 -4.610 -19.359 19 HB2 SER 5 1HB SER 5 -8.955 -6.529 -21.023 20 HB3 SER 5 2HB SER 5 -9.128 -6.358 -19.276 21 HG SER 5 HG SER 5 -9.493 -4.057 -19.751 22 H SER 6 H SER 6 -4.862 -5.574 -20.163 23 HA SER 6 HA SER 6 -4.393 -8.288 -20.060 24 HB2 SER 6 1HB SER 6 -2.694 -6.073 -18.890 25 HB3 SER 6 2HB SER 6 -2.137 -7.715 -19.208 26 HG SER 6 HG SER 6 -2.798 -7.286 -21.448 27 H GLY 7 H GLY 7 -3.668 -9.685 -18.348 28 HA2 GLY 7 1HA GLY 7 -3.690 -10.564 -16.214 29 HA3 GLY 7 2HA GLY 7 -4.002 -8.946 -15.603 30 H THR 8 H THR 8 -5.425 -11.919 -16.728 31 HA THR 8 HA THR 8 -8.127 -10.945 -16.208 32 HB THR 8 HB THR 8 -7.777 -12.315 -18.214 33 HG1 THR 8 HG1 THR 8 -9.713 -12.501 -16.614 34 HG21 THR 8 3HG2 THR 8 -6.915 -14.447 -18.220 35 HG22 THR 8 1HG2 THR 8 -7.361 -14.751 -16.542 36 HG23 THR 8 2HG2 THR 8 -5.973 -13.728 -16.914 37 H GLY 9 H GLY 9 -7.252 -10.716 -13.870 38 HA2 GLY 9 1HA GLY 9 -8.194 -13.077 -12.415 39 HA3 GLY 9 2HA GLY 9 -6.589 -12.470 -12.033 40 H GLU 10 H GLU 10 -9.090 -12.663 -10.418 41 HA GLU 10 HA GLU 10 -9.382 -9.809 -9.744 42 HB2 GLU 10 1HB GLU 10 -11.518 -10.676 -8.562 43 HB3 GLU 10 2HB GLU 10 -11.531 -10.494 -10.311 44 HG2 GLU 10 1HG GLU 10 -10.753 -13.127 -9.184 45 HG3 GLU 10 2HG GLU 10 -12.452 -12.660 -9.128 46 H LYS 11 H LYS 11 -8.097 -9.338 -8.084 47 HA LYS 11 HA LYS 11 -7.433 -11.319 -6.082 48 HB2 LYS 11 1HB LYS 11 -6.670 -8.399 -6.114 49 HB3 LYS 11 2HB LYS 11 -5.888 -9.698 -5.223 50 HG2 LYS 11 1HG LYS 11 -5.971 -9.496 -8.225 51 HG3 LYS 11 2HG LYS 11 -4.626 -8.962 -7.215 52 HD2 LYS 11 1HD LYS 11 -3.887 -11.058 -7.714 53 HD3 LYS 11 2HD LYS 11 -4.846 -11.440 -6.282 54 HE2 LYS 11 1HE LYS 11 -5.496 -13.034 -7.871 55 HE3 LYS 11 2HE LYS 11 -6.783 -11.829 -7.899 56 HZ1 LYS 11 3HZ LYS 11 -5.048 -12.649 -9.994 57 HZ2 LYS 11 1HZ LYS 11 -4.942 -10.978 -9.755 58 HZ3 LYS 11 2HZ LYS 11 -6.442 -11.693 -10.072 59 HA PRO 12 HA PRO 12 -10.425 -10.222 -3.061 60 HB2 PRO 12 1HB PRO 12 -9.039 -10.695 -0.775 61 HB3 PRO 12 2HB PRO 12 -9.637 -11.988 -1.820 62 HG2 PRO 12 1HG PRO 12 -6.890 -10.811 -1.647 63 HG3 PRO 12 2HG PRO 12 -7.372 -12.512 -1.784 64 HD2 PRO 12 1HD PRO 12 -6.505 -11.068 -3.904 65 HD3 PRO 12 2HD PRO 12 -7.708 -12.364 -4.059 66 H TYR 13 H TYR 13 -7.227 -8.767 -2.813 67 HA TYR 13 HA TYR 13 -8.382 -6.510 -1.323 68 HB2 TYR 13 1HB TYR 13 -5.438 -6.801 -1.725 69 HB3 TYR 13 2HB TYR 13 -6.320 -6.121 -0.362 70 HD1 TYR 13 HD2 TYR 13 -8.185 -8.379 0.214 71 HD2 TYR 13 HD1 TYR 13 -4.029 -8.366 -0.696 72 HE1 TYR 13 HE2 TYR 13 -7.915 -10.490 1.447 73 HE2 TYR 13 HE1 TYR 13 -3.747 -10.478 0.533 74 HH TYR 13 HH TYR 13 -5.196 -12.427 1.200 75 H LYS 14 H LYS 14 -9.031 -4.923 -2.612 76 HA LYS 14 HA LYS 14 -7.301 -4.166 -4.876 77 HB2 LYS 14 1HB LYS 14 -9.306 -5.098 -5.795 78 HB3 LYS 14 2HB LYS 14 -10.314 -4.170 -4.693 79 HG2 LYS 14 1HG LYS 14 -9.111 -2.139 -5.897 80 HG3 LYS 14 2HG LYS 14 -8.954 -3.332 -7.189 81 HD2 LYS 14 1HD LYS 14 -11.447 -3.756 -6.878 82 HD3 LYS 14 2HD LYS 14 -11.465 -2.281 -5.907 83 HE2 LYS 14 1HE LYS 14 -10.548 -1.036 -7.818 84 HE3 LYS 14 2HE LYS 14 -10.578 -2.511 -8.783 85 HZ1 LYS 14 3HZ LYS 14 -12.633 -0.671 -8.413 86 HZ2 LYS 14 1HZ LYS 14 -13.116 -2.100 -7.646 87 HZ3 LYS 14 2HZ LYS 14 -12.684 -2.122 -9.281 88 H CYS 15 H CYS 15 -6.749 -2.059 -5.065 89 HA CYS 15 HA CYS 15 -6.903 -0.354 -2.861 90 HB2 CYS 15 1HB CYS 15 -5.391 -0.349 -5.051 91 HB3 CYS 15 2HB CYS 15 -6.586 0.831 -5.579 92 H GLN 16 H GLN 16 -7.713 2.059 -3.308 93 HA GLN 16 HA GLN 16 -10.486 1.910 -4.279 94 HB2 GLN 16 1HB GLN 16 -9.596 3.391 -1.800 95 HB3 GLN 16 2HB GLN 16 -11.241 3.246 -2.405 96 HG2 GLN 16 1HG GLN 16 -9.589 0.888 -1.543 97 HG3 GLN 16 2HG GLN 16 -10.656 1.778 -0.457 98 HE21 GLN 16 1HE2 GLN 16 -10.421 -0.726 -2.673 99 HE22 GLN 16 2HE2 GLN 16 -12.105 -1.050 -2.878 100 H VAL 17 H VAL 17 -7.577 3.768 -3.825 101 HA VAL 17 HA VAL 17 -8.652 6.228 -4.841 102 HB VAL 17 HB VAL 17 -6.281 6.965 -4.932 103 HG11 VAL 17 1HG1 VAL 17 -7.350 7.448 -2.912 104 HG12 VAL 17 2HG1 VAL 17 -7.395 5.753 -2.424 105 HG13 VAL 17 3HG1 VAL 17 -5.866 6.632 -2.422 106 HG21 VAL 17 3HG2 VAL 17 -5.849 4.083 -4.542 107 HG22 VAL 17 1HG2 VAL 17 -4.824 5.292 -5.314 108 HG23 VAL 17 2HG2 VAL 17 -4.833 5.135 -3.557 109 H CYS 18 H CYS 18 -6.711 3.577 -6.152 110 HA CYS 18 HA CYS 18 -7.046 4.744 -8.836 111 HB2 CYS 18 1HB CYS 18 -5.041 3.595 -9.517 112 HB3 CYS 18 2HB CYS 18 -4.689 4.491 -8.043 113 H GLY 19 H GLY 19 -7.504 1.936 -6.829 114 HA2 GLY 19 1HA GLY 19 -9.177 0.317 -7.221 115 HA3 GLY 19 2HA GLY 19 -9.183 0.768 -8.920 116 H LYS 20 H LYS 20 -6.162 0.209 -7.321 117 HA LYS 20 HA LYS 20 -5.441 -1.836 -9.159 118 HB2 LYS 20 1HB LYS 20 -4.164 -0.498 -6.830 119 HB3 LYS 20 2HB LYS 20 -3.518 -2.060 -7.315 120 HG2 LYS 20 1HG LYS 20 -3.901 0.159 -9.293 121 HG3 LYS 20 2HG LYS 20 -2.448 0.039 -8.298 122 HD2 LYS 20 1HD LYS 20 -3.339 -2.386 -9.771 123 HD3 LYS 20 2HD LYS 20 -2.600 -1.078 -10.697 124 HE2 LYS 20 1HE LYS 20 -0.788 -1.179 -8.807 125 HE3 LYS 20 2HE LYS 20 -1.420 -2.807 -8.570 126 HZ1 LYS 20 3HZ LYS 20 -0.164 -3.458 -10.254 127 HZ2 LYS 20 1HZ LYS 20 0.345 -1.874 -10.559 128 HZ3 LYS 20 2HZ LYS 20 -1.053 -2.470 -11.300 129 H ALA 21 H ALA 21 -4.302 -3.883 -8.120 130 HA ALA 21 HA ALA 21 -5.832 -5.022 -5.930 131 HB1 ALA 21 3HB ALA 21 -5.780 -6.691 -8.388 132 HB2 ALA 21 1HB ALA 21 -6.943 -6.661 -7.063 133 HB3 ALA 21 2HB ALA 21 -6.968 -5.391 -8.287 134 H PHE 22 H PHE 22 -4.884 -6.895 -5.033 135 HA PHE 22 HA PHE 22 -2.442 -7.946 -6.166 136 HB2 PHE 22 1HB PHE 22 -2.266 -6.735 -3.413 137 HB3 PHE 22 2HB PHE 22 -0.955 -7.298 -4.444 138 HD1 PHE 22 HD2 PHE 22 -3.675 -4.754 -4.369 139 HD2 PHE 22 HD1 PHE 22 0.255 -5.760 -5.655 140 HE1 PHE 22 HE2 PHE 22 -3.374 -2.467 -5.225 141 HE2 PHE 22 HE1 PHE 22 0.564 -3.474 -6.512 142 HZ PHE 22 HZ PHE 22 -1.252 -1.825 -6.299 143 H ARG 23 H ARG 23 -2.500 -10.062 -5.845 144 HA ARG 23 HA ARG 23 -4.391 -11.398 -4.321 145 HB2 ARG 23 1HB ARG 23 -2.519 -13.291 -4.446 146 HB3 ARG 23 2HB ARG 23 -3.467 -12.816 -5.849 147 HG2 ARG 23 1HG ARG 23 -1.710 -11.785 -6.865 148 HG3 ARG 23 2HG ARG 23 -0.930 -11.366 -5.338 149 HD2 ARG 23 1HD ARG 23 -0.370 -13.765 -5.030 150 HD3 ARG 23 2HD ARG 23 -1.041 -14.090 -6.627 151 HE ARG 23 HE ARG 23 0.974 -12.062 -6.675 152 HH11 ARG 23 1HH1 ARG 23 0.428 -15.500 -6.632 153 HH12 ARG 23 2HH1 ARG 23 1.935 -15.881 -7.398 154 HH21 ARG 23 1HH2 ARG 23 2.961 -12.551 -7.684 155 HH22 ARG 23 2HH2 ARG 23 3.375 -14.203 -7.995 156 H VAL 24 H VAL 24 -1.366 -10.013 -3.373 157 HA VAL 24 HA VAL 24 -1.564 -11.294 -0.730 158 HB VAL 24 HB VAL 24 0.747 -10.790 -0.374 159 HG11 VAL 24 1HG1 VAL 24 0.636 -11.731 -3.224 160 HG12 VAL 24 2HG1 VAL 24 1.754 -12.212 -1.947 161 HG13 VAL 24 3HG1 VAL 24 0.069 -12.730 -1.886 162 HG21 VAL 24 3HG2 VAL 24 0.530 -8.557 -1.652 163 HG22 VAL 24 1HG2 VAL 24 2.074 -9.409 -1.692 164 HG23 VAL 24 2HG2 VAL 24 0.979 -9.504 -3.070 165 H SER 25 H SER 25 -0.853 -9.883 1.118 166 HA SER 25 HA SER 25 -2.220 -7.308 0.895 167 HB2 SER 25 1HB SER 25 -2.959 -8.765 2.704 168 HB3 SER 25 2HB SER 25 -1.311 -8.870 3.325 169 HG SER 25 HG SER 25 -1.545 -6.436 3.412 170 H SER 26 H SER 26 0.915 -8.698 1.561 171 HA SER 26 HA SER 26 2.180 -6.439 2.647 172 HB2 SER 26 1HB SER 26 4.297 -7.544 1.882 173 HB3 SER 26 2HB SER 26 3.233 -8.606 2.804 174 HG SER 26 HG SER 26 2.447 -9.025 0.433 175 H HIS 27 H HIS 27 1.812 -7.530 -0.700 176 HA HIS 27 HA HIS 27 3.382 -5.466 -1.849 177 HB2 HIS 27 1HB HIS 27 1.264 -7.283 -3.001 178 HB3 HIS 27 2HB HIS 27 2.169 -6.127 -3.974 179 HD2 HIS 27 HD2 HIS 27 4.487 -7.724 -1.440 180 HE1 HIS 27 HE1 HIS 27 4.849 -10.012 -4.994 181 HE2 HIS 27 HE2 HIS 27 5.762 -9.599 -2.683 182 H LEU 28 H LEU 28 -0.155 -5.915 -1.719 183 HA LEU 28 HA LEU 28 -0.951 -3.557 -2.882 184 HB2 LEU 28 1HB LEU 28 -2.650 -5.063 -2.410 185 HB3 LEU 28 2HB LEU 28 -2.141 -5.263 -0.735 186 HG LEU 28 HG LEU 28 -3.052 -3.088 -0.168 187 HD11 LEU 28 1HD1 LEU 28 -3.086 -1.558 -1.789 188 HD12 LEU 28 2HD1 LEU 28 -4.603 -2.300 -2.294 189 HD13 LEU 28 3HD1 LEU 28 -3.090 -2.778 -3.062 190 HD21 LEU 28 3HD2 LEU 28 -5.116 -3.912 0.084 191 HD22 LEU 28 1HD2 LEU 28 -4.492 -5.342 -0.739 192 HD23 LEU 28 2HD2 LEU 28 -5.354 -4.104 -1.654 193 H VAL 29 H VAL 29 0.399 -4.061 0.283 194 HA VAL 29 HA VAL 29 -0.392 -1.580 1.424 195 HB VAL 29 HB VAL 29 1.895 -3.419 2.139 196 HG11 VAL 29 1HG1 VAL 29 0.897 -0.892 3.385 197 HG12 VAL 29 2HG1 VAL 29 1.607 -2.156 4.390 198 HG13 VAL 29 3HG1 VAL 29 2.554 -1.420 3.097 199 HG21 VAL 29 3HG2 VAL 29 -0.356 -3.194 3.975 200 HG22 VAL 29 1HG2 VAL 29 -0.811 -3.827 2.392 201 HG23 VAL 29 2HG2 VAL 29 0.445 -4.630 3.335 202 H GLN 30 H GLN 30 2.695 -2.688 0.026 203 HA GLN 30 HA GLN 30 4.057 -0.255 0.256 204 HB2 GLN 30 1HB GLN 30 4.420 -2.447 -1.794 205 HB3 GLN 30 2HB GLN 30 5.572 -1.158 -1.477 206 HG2 GLN 30 1HG GLN 30 4.755 -3.383 0.369 207 HG3 GLN 30 2HG GLN 30 6.336 -3.108 -0.362 208 HE21 GLN 30 1HE2 GLN 30 4.007 -1.831 1.941 209 HE22 GLN 30 2HE2 GLN 30 5.155 -0.984 2.914 210 H HIS 31 H HIS 31 1.649 -1.310 -1.986 211 HA HIS 31 HA HIS 31 2.243 0.699 -3.970 212 HB2 HIS 31 1HB HIS 31 1.252 -1.063 -5.040 213 HB3 HIS 31 2HB HIS 31 0.250 -1.482 -3.653 214 HD1 HIS 31 HD1 HIS 31 0.360 0.859 -6.598 215 HD2 HIS 31 HD2 HIS 31 -2.293 -0.402 -3.660 216 HE1 HIS 31 HE1 HIS 31 -1.880 1.777 -7.277 217 H HIS 32 H HIS 32 0.295 0.430 -1.127 218 HA HIS 32 HA HIS 32 -1.591 2.459 -1.691 219 HB2 HIS 32 1HB HIS 32 -0.625 1.089 0.783 220 HB3 HIS 32 2HB HIS 32 -1.583 2.557 0.952 221 HD2 HIS 32 HD2 HIS 32 -2.446 -0.829 1.411 222 HE1 HIS 32 HE1 HIS 32 -5.528 0.437 -1.214 223 HE2 HIS 32 HE2 HIS 32 -4.815 -1.286 0.479 224 H SER 33 H SER 33 1.685 2.686 -1.397 225 HA SER 33 HA SER 33 1.561 5.432 -0.337 226 HB2 SER 33 1HB SER 33 3.778 3.387 -0.330 227 HB3 SER 33 2HB SER 33 4.086 5.099 -0.037 228 HG SER 33 HG SER 33 2.366 3.405 1.456 229 H VAL 34 H VAL 34 1.286 4.115 -3.159 230 HA VAL 34 HA VAL 34 3.415 5.455 -4.607 231 HB VAL 34 HB VAL 34 2.641 4.391 -6.549 232 HG11 VAL 34 1HG1 VAL 34 1.812 2.042 -5.387 233 HG12 VAL 34 2HG1 VAL 34 3.488 2.531 -5.644 234 HG13 VAL 34 3HG1 VAL 34 2.709 2.830 -4.090 235 HG21 VAL 34 3HG2 VAL 34 0.305 5.066 -6.406 236 HG22 VAL 34 1HG2 VAL 34 0.435 3.342 -6.753 237 HG23 VAL 34 2HG2 VAL 34 0.028 3.885 -5.125 238 H HIS 35 H HIS 35 0.234 6.128 -3.549 239 HA HIS 35 HA HIS 35 -0.160 8.232 -5.540 240 HB2 HIS 35 1HB HIS 35 -2.070 7.621 -3.304 241 HB3 HIS 35 2HB HIS 35 -2.409 8.297 -4.894 242 HD1 HIS 35 HD1 HIS 35 -1.898 6.465 -6.928 243 HD2 HIS 35 HD2 HIS 35 -2.699 5.002 -3.123 244 HE1 HIS 35 HE1 HIS 35 -2.580 4.067 -7.259 245 H SER 36 H SER 36 0.950 7.791 -2.342 246 HA SER 36 HA SER 36 0.424 10.538 -1.542 247 HB2 SER 36 1HB SER 36 1.769 8.231 -0.122 248 HB3 SER 36 2HB SER 36 1.591 9.841 0.575 249 HG SER 36 HG SER 36 -0.709 8.663 -0.444 250 H GLY 37 H GLY 37 2.271 9.785 -3.789 251 HA2 GLY 37 1HA GLY 37 4.254 10.555 -4.653 252 HA3 GLY 37 2HA GLY 37 4.231 11.751 -3.366 253 H GLU 38 H GLU 38 5.726 8.959 -4.575 254 HA GLU 38 HA GLU 38 6.869 8.038 -2.113 255 HB2 GLU 38 1HB GLU 38 7.724 7.473 -4.957 256 HB3 GLU 38 2HB GLU 38 8.237 6.585 -3.529 257 HG2 GLU 38 1HG GLU 38 5.329 6.791 -4.108 258 HG3 GLU 38 2HG GLU 38 6.314 5.698 -5.078 259 H ARG 39 H ARG 39 7.329 10.828 -3.667 260 HA ARG 39 HA ARG 39 9.849 11.327 -2.409 261 HB2 ARG 39 1HB ARG 39 11.205 11.732 -4.314 262 HB3 ARG 39 2HB ARG 39 10.477 10.150 -4.559 263 HG2 ARG 39 1HG ARG 39 9.188 10.856 -6.299 264 HG3 ARG 39 2HG ARG 39 9.086 12.511 -5.696 265 HD2 ARG 39 1HD ARG 39 11.702 11.408 -6.638 266 HD3 ARG 39 2HD ARG 39 10.515 11.990 -7.805 267 HE ARG 39 HE ARG 39 10.778 13.992 -5.931 268 HH11 ARG 39 1HH1 ARG 39 12.857 12.327 -8.172 269 HH12 ARG 39 2HH1 ARG 39 13.912 13.681 -8.401 270 HH21 ARG 39 1HH2 ARG 39 12.160 15.783 -6.224 271 HH22 ARG 39 2HH2 ARG 39 13.516 15.646 -7.292 272 HA PRO 40 HA PRO 40 8.207 15.401 -2.381 273 HB2 PRO 40 1HB PRO 40 10.487 16.850 -2.105 274 HB3 PRO 40 2HB PRO 40 9.795 15.888 -0.793 275 HG2 PRO 40 1HG PRO 40 12.046 15.218 -2.650 276 HG3 PRO 40 2HG PRO 40 11.923 14.956 -0.901 277 HD2 PRO 40 1HD PRO 40 11.498 12.980 -2.702 278 HD3 PRO 40 2HD PRO 40 10.645 13.054 -1.148 279 H SER 41 H SER 41 7.420 15.493 -4.540 280 HA SER 41 HA SER 41 8.945 17.307 -6.227 281 HB2 SER 41 1HB SER 41 8.576 15.905 -8.248 282 HB3 SER 41 2HB SER 41 9.644 15.136 -7.074 283 HG SER 41 HG SER 41 6.925 14.592 -6.857 284 H GLY 42 H GLY 42 7.507 17.709 -8.327 285 HA2 GLY 42 1HA GLY 42 4.684 17.496 -8.009 286 HA3 GLY 42 2HA GLY 42 5.248 19.091 -7.533 287 HA PRO 43 HA PRO 43 4.902 18.435 -12.296 288 HB2 PRO 43 1HB PRO 43 2.305 19.088 -12.740 289 HB3 PRO 43 2HB PRO 43 2.846 17.426 -12.473 290 HG2 PRO 43 1HG PRO 43 1.593 19.344 -10.545 291 HG3 PRO 43 2HG PRO 43 1.266 17.617 -10.776 292 HD2 PRO 43 1HD PRO 43 2.822 18.548 -8.766 293 HD3 PRO 43 2HD PRO 43 3.102 16.975 -9.539 294 H SER 44 H SER 44 2.990 20.744 -10.362 295 HA SER 44 HA SER 44 2.996 22.905 -12.056 296 HB2 SER 44 1HB SER 44 3.081 22.724 -9.054 297 HB3 SER 44 2HB SER 44 3.047 24.288 -9.867 298 HG SER 44 HG SER 44 1.140 23.344 -11.010 299 H SER 45 H SER 45 4.241 25.051 -11.390 300 HA SER 45 HA SER 45 6.680 25.116 -12.463 301 HB2 SER 45 1HB SER 45 5.742 27.182 -11.773 302 HB3 SER 45 2HB SER 45 5.680 26.679 -10.084 303 HG SER 45 HG SER 45 7.637 27.384 -9.854 304 H GLY 46 H GLY 46 8.084 23.449 -12.163 305 HA2 GLY 46 1HA GLY 46 10.164 23.253 -10.695 306 HA3 GLY 46 2HA GLY 46 9.008 22.939 -9.409 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -8.438 -17.733 -30.414 2 HA2 GLY 1 1HA GLY 1 -8.329 -15.790 -32.403 3 HA3 GLY 1 2HA GLY 1 -9.704 -15.391 -31.384 4 H SER 2 H SER 2 -7.197 -13.931 -31.806 5 HA SER 2 HA SER 2 -5.322 -14.137 -29.822 6 HB2 SER 2 1HB SER 2 -5.029 -12.493 -31.535 7 HB3 SER 2 2HB SER 2 -6.516 -11.662 -31.079 8 HG SER 2 HG SER 2 -5.516 -10.730 -29.447 9 H SER 3 H SER 3 -5.756 -14.543 -27.746 10 HA SER 3 HA SER 3 -7.841 -12.960 -26.406 11 HB2 SER 3 1HB SER 3 -7.773 -14.725 -24.656 12 HB3 SER 3 2HB SER 3 -8.195 -15.361 -26.245 13 HG SER 3 HG SER 3 -5.562 -15.454 -26.027 14 H GLY 4 H GLY 4 -7.420 -11.956 -24.415 15 HA2 GLY 4 1HA GLY 4 -4.784 -10.887 -24.162 16 HA3 GLY 4 2HA GLY 4 -6.137 -10.584 -23.082 17 H SER 5 H SER 5 -6.744 -12.862 -21.927 18 HA SER 5 HA SER 5 -4.510 -14.462 -21.165 19 HB2 SER 5 1HB SER 5 -4.071 -13.684 -18.992 20 HB3 SER 5 2HB SER 5 -4.187 -12.204 -19.945 21 HG SER 5 HG SER 5 -5.627 -12.916 -17.829 22 H SER 6 H SER 6 -5.099 -16.230 -19.885 23 HA SER 6 HA SER 6 -7.919 -16.849 -19.960 24 HB2 SER 6 1HB SER 6 -7.154 -19.078 -19.075 25 HB3 SER 6 2HB SER 6 -6.405 -18.606 -20.601 26 HG SER 6 HG SER 6 -5.099 -17.868 -18.255 27 H GLY 7 H GLY 7 -9.306 -16.985 -18.275 28 HA2 GLY 7 1HA GLY 7 -10.134 -16.773 -16.143 29 HA3 GLY 7 2HA GLY 7 -8.540 -17.232 -15.563 30 H THR 8 H THR 8 -10.771 -14.913 -15.302 31 HA THR 8 HA THR 8 -9.192 -12.542 -15.550 32 HB THR 8 HB THR 8 -11.619 -12.419 -15.750 33 HG1 THR 8 HG1 THR 8 -10.214 -10.972 -13.836 34 HG21 THR 8 3HG2 THR 8 -12.351 -14.139 -14.264 35 HG22 THR 8 1HG2 THR 8 -13.002 -12.617 -13.659 36 HG23 THR 8 2HG2 THR 8 -11.598 -13.347 -12.881 37 H GLY 9 H GLY 9 -9.837 -14.841 -13.005 38 HA2 GLY 9 1HA GLY 9 -9.293 -14.797 -10.741 39 HA3 GLY 9 2HA GLY 9 -7.707 -14.500 -11.437 40 H GLU 10 H GLU 10 -10.503 -13.044 -9.927 41 HA GLU 10 HA GLU 10 -9.250 -10.420 -9.869 42 HB2 GLU 10 1HB GLU 10 -11.929 -11.487 -9.027 43 HB3 GLU 10 2HB GLU 10 -11.386 -9.903 -8.491 44 HG2 GLU 10 1HG GLU 10 -11.101 -9.238 -10.848 45 HG3 GLU 10 2HG GLU 10 -11.749 -10.802 -11.339 46 H LYS 11 H LYS 11 -7.944 -9.794 -8.293 47 HA LYS 11 HA LYS 11 -7.339 -11.406 -6.059 48 HB2 LYS 11 1HB LYS 11 -6.754 -8.456 -6.281 49 HB3 LYS 11 2HB LYS 11 -5.848 -9.674 -5.392 50 HG2 LYS 11 1HG LYS 11 -6.077 -9.487 -8.389 51 HG3 LYS 11 2HG LYS 11 -4.684 -8.999 -7.420 52 HD2 LYS 11 1HD LYS 11 -4.258 -11.244 -6.757 53 HD3 LYS 11 2HD LYS 11 -5.799 -11.798 -7.416 54 HE2 LYS 11 1HE LYS 11 -3.777 -10.504 -9.200 55 HE3 LYS 11 2HE LYS 11 -3.600 -12.199 -8.749 56 HZ1 LYS 11 3HZ LYS 11 -4.823 -12.341 -10.668 57 HZ2 LYS 11 1HZ LYS 11 -5.692 -10.920 -10.370 58 HZ3 LYS 11 2HZ LYS 11 -6.059 -12.332 -9.513 59 HA PRO 12 HA PRO 12 -10.377 -10.260 -3.097 60 HB2 PRO 12 1HB PRO 12 -8.966 -10.602 -0.803 61 HB3 PRO 12 2HB PRO 12 -9.542 -11.953 -1.787 62 HG2 PRO 12 1HG PRO 12 -6.821 -10.709 -1.685 63 HG3 PRO 12 2HG PRO 12 -7.266 -12.425 -1.743 64 HD2 PRO 12 1HD PRO 12 -6.444 -11.057 -3.931 65 HD3 PRO 12 2HD PRO 12 -7.619 -12.385 -4.020 66 H TYR 13 H TYR 13 -7.157 -8.828 -2.647 67 HA TYR 13 HA TYR 13 -8.367 -6.508 -1.336 68 HB2 TYR 13 1HB TYR 13 -5.420 -6.772 -1.767 69 HB3 TYR 13 2HB TYR 13 -6.293 -6.035 -0.428 70 HD1 TYR 13 HD2 TYR 13 -8.104 -8.207 0.382 71 HD2 TYR 13 HD1 TYR 13 -4.015 -8.346 -0.784 72 HE1 TYR 13 HE2 TYR 13 -7.802 -10.254 1.710 73 HE2 TYR 13 HE1 TYR 13 -3.701 -10.395 0.540 74 HH TYR 13 HH TYR 13 -5.459 -12.345 1.357 75 H LYS 14 H LYS 14 -8.911 -4.815 -2.520 76 HA LYS 14 HA LYS 14 -7.264 -4.127 -4.858 77 HB2 LYS 14 1HB LYS 14 -9.233 -5.130 -5.774 78 HB3 LYS 14 2HB LYS 14 -10.276 -4.218 -4.690 79 HG2 LYS 14 1HG LYS 14 -9.132 -2.168 -5.918 80 HG3 LYS 14 2HG LYS 14 -8.930 -3.373 -7.191 81 HD2 LYS 14 1HD LYS 14 -11.444 -3.869 -6.763 82 HD3 LYS 14 2HD LYS 14 -11.449 -2.277 -6.000 83 HE2 LYS 14 1HE LYS 14 -10.733 -1.230 -8.024 84 HE3 LYS 14 2HE LYS 14 -10.436 -2.789 -8.791 85 HZ1 LYS 14 3HZ LYS 14 -12.627 -3.116 -9.190 86 HZ2 LYS 14 1HZ LYS 14 -12.644 -1.424 -9.191 87 HZ3 LYS 14 2HZ LYS 14 -13.138 -2.273 -7.814 88 H CYS 15 H CYS 15 -6.675 -2.043 -4.985 89 HA CYS 15 HA CYS 15 -6.941 -0.297 -2.843 90 HB2 CYS 15 1HB CYS 15 -5.370 -0.296 -4.983 91 HB3 CYS 15 2HB CYS 15 -6.578 0.839 -5.578 92 H GLN 16 H GLN 16 -7.784 2.092 -3.343 93 HA GLN 16 HA GLN 16 -10.524 1.886 -4.393 94 HB2 GLN 16 1HB GLN 16 -9.788 3.442 -1.915 95 HB3 GLN 16 2HB GLN 16 -11.400 3.133 -2.546 96 HG2 GLN 16 1HG GLN 16 -9.546 0.991 -1.536 97 HG3 GLN 16 2HG GLN 16 -10.788 1.774 -0.559 98 HE21 GLN 16 1HE2 GLN 16 -10.112 -0.860 -2.400 99 HE22 GLN 16 2HE2 GLN 16 -11.718 -1.352 -2.804 100 H VAL 17 H VAL 17 -7.666 3.797 -3.845 101 HA VAL 17 HA VAL 17 -8.757 6.236 -4.899 102 HB VAL 17 HB VAL 17 -6.318 6.937 -4.978 103 HG11 VAL 17 1HG1 VAL 17 -7.647 6.033 -2.439 104 HG12 VAL 17 2HG1 VAL 17 -6.136 6.945 -2.444 105 HG13 VAL 17 3HG1 VAL 17 -7.597 7.653 -3.135 106 HG21 VAL 17 3HG2 VAL 17 -4.675 5.567 -3.917 107 HG22 VAL 17 1HG2 VAL 17 -5.888 4.369 -3.462 108 HG23 VAL 17 2HG2 VAL 17 -5.460 4.591 -5.159 109 H CYS 18 H CYS 18 -6.777 3.591 -6.140 110 HA CYS 18 HA CYS 18 -6.994 4.769 -8.832 111 HB2 CYS 18 1HB CYS 18 -4.961 3.646 -9.436 112 HB3 CYS 18 2HB CYS 18 -4.670 4.500 -7.924 113 H GLY 19 H GLY 19 -7.455 1.915 -6.866 114 HA2 GLY 19 1HA GLY 19 -9.116 0.293 -7.309 115 HA3 GLY 19 2HA GLY 19 -9.101 0.774 -8.999 116 H LYS 20 H LYS 20 -6.131 0.170 -7.292 117 HA LYS 20 HA LYS 20 -5.341 -1.813 -9.181 118 HB2 LYS 20 1HB LYS 20 -4.133 -0.504 -6.806 119 HB3 LYS 20 2HB LYS 20 -3.475 -2.067 -7.270 120 HG2 LYS 20 1HG LYS 20 -3.816 -0.016 -9.388 121 HG3 LYS 20 2HG LYS 20 -2.507 0.193 -8.222 122 HD2 LYS 20 1HD LYS 20 -2.104 -2.371 -8.810 123 HD3 LYS 20 2HD LYS 20 -2.882 -1.878 -10.317 124 HE2 LYS 20 1HE LYS 20 -0.654 -1.487 -10.778 125 HE3 LYS 20 2HE LYS 20 -1.194 0.098 -10.229 126 HZ1 LYS 20 3HZ LYS 20 -0.053 -0.088 -8.274 127 HZ2 LYS 20 1HZ LYS 20 0.974 -0.971 -9.288 128 HZ3 LYS 20 2HZ LYS 20 -0.098 -1.779 -8.259 129 H ALA 21 H ALA 21 -4.224 -3.881 -8.170 130 HA ALA 21 HA ALA 21 -5.806 -5.079 -6.048 131 HB1 ALA 21 3HB ALA 21 -7.267 -5.798 -7.656 132 HB2 ALA 21 1HB ALA 21 -6.028 -5.867 -8.909 133 HB3 ALA 21 2HB ALA 21 -6.106 -7.125 -7.675 134 H PHE 22 H PHE 22 -4.828 -6.867 -5.088 135 HA PHE 22 HA PHE 22 -2.383 -7.949 -6.193 136 HB2 PHE 22 1HB PHE 22 -2.217 -6.699 -3.459 137 HB3 PHE 22 2HB PHE 22 -0.903 -7.259 -4.489 138 HD1 PHE 22 HD2 PHE 22 -3.534 -4.664 -4.196 139 HD2 PHE 22 HD1 PHE 22 0.177 -5.795 -5.948 140 HE1 PHE 22 HE2 PHE 22 -3.256 -2.382 -5.071 141 HE2 PHE 22 HE1 PHE 22 0.462 -3.514 -6.825 142 HZ PHE 22 HZ PHE 22 -1.256 -1.804 -6.388 143 H ARG 23 H ARG 23 -2.547 -10.060 -5.890 144 HA ARG 23 HA ARG 23 -4.412 -11.367 -4.344 145 HB2 ARG 23 1HB ARG 23 -2.529 -13.258 -4.403 146 HB3 ARG 23 2HB ARG 23 -3.467 -12.820 -5.824 147 HG2 ARG 23 1HG ARG 23 -1.707 -11.804 -6.849 148 HG3 ARG 23 2HG ARG 23 -0.943 -11.345 -5.325 149 HD2 ARG 23 1HD ARG 23 0.482 -13.002 -5.983 150 HD3 ARG 23 2HD ARG 23 -0.686 -13.959 -5.072 151 HE ARG 23 HE ARG 23 -1.666 -13.994 -7.601 152 HH11 ARG 23 1HH1 ARG 23 1.426 -14.762 -6.198 153 HH12 ARG 23 2HH1 ARG 23 1.812 -15.964 -7.385 154 HH21 ARG 23 1HH2 ARG 23 -1.170 -15.574 -9.169 155 HH22 ARG 23 2HH2 ARG 23 0.336 -16.425 -9.075 156 H VAL 24 H VAL 24 -1.288 -10.117 -3.413 157 HA VAL 24 HA VAL 24 -1.568 -11.299 -0.740 158 HB VAL 24 HB VAL 24 0.726 -10.926 -0.381 159 HG11 VAL 24 1HG1 VAL 24 0.491 -11.616 -3.307 160 HG12 VAL 24 2HG1 VAL 24 1.815 -12.045 -2.222 161 HG13 VAL 24 3HG1 VAL 24 0.213 -12.742 -1.979 162 HG21 VAL 24 3HG2 VAL 24 0.739 -8.592 -1.218 163 HG22 VAL 24 1HG2 VAL 24 2.138 -9.528 -1.743 164 HG23 VAL 24 2HG2 VAL 24 0.814 -9.218 -2.866 165 H SER 25 H SER 25 -0.887 -9.874 1.101 166 HA SER 25 HA SER 25 -2.297 -7.337 0.877 167 HB2 SER 25 1HB SER 25 -2.861 -8.770 2.768 168 HB3 SER 25 2HB SER 25 -1.176 -8.789 3.287 169 HG SER 25 HG SER 25 -1.687 -6.294 3.161 170 H SER 26 H SER 26 0.925 -8.578 1.513 171 HA SER 26 HA SER 26 2.170 -6.270 2.436 172 HB2 SER 26 1HB SER 26 3.331 -8.449 0.682 173 HB3 SER 26 2HB SER 26 4.270 -7.270 1.598 174 HG SER 26 HG SER 26 2.718 -8.269 3.371 175 H HIS 27 H HIS 27 2.247 -7.489 -0.919 176 HA HIS 27 HA HIS 27 3.431 -5.332 -2.134 177 HB2 HIS 27 1HB HIS 27 1.386 -7.306 -3.104 178 HB3 HIS 27 2HB HIS 27 1.948 -6.013 -4.159 179 HD2 HIS 27 HD2 HIS 27 4.699 -7.527 -1.936 180 HE1 HIS 27 HE1 HIS 27 5.096 -9.233 -5.800 181 HE2 HIS 27 HE2 HIS 27 6.104 -9.032 -3.501 182 H LEU 28 H LEU 28 -0.083 -5.844 -1.794 183 HA LEU 28 HA LEU 28 -0.982 -3.496 -2.910 184 HB2 LEU 28 1HB LEU 28 -2.601 -5.079 -2.344 185 HB3 LEU 28 2HB LEU 28 -2.035 -5.196 -0.679 186 HG LEU 28 HG LEU 28 -2.992 -3.022 -0.174 187 HD11 LEU 28 1HD1 LEU 28 -2.844 -1.727 -2.080 188 HD12 LEU 28 2HD1 LEU 28 -4.568 -2.093 -2.014 189 HD13 LEU 28 3HD1 LEU 28 -3.519 -2.985 -3.116 190 HD21 LEU 28 3HD2 LEU 28 -5.238 -4.334 -1.589 191 HD22 LEU 28 1HD2 LEU 28 -5.110 -3.790 0.084 192 HD23 LEU 28 2HD2 LEU 28 -4.353 -5.304 -0.411 193 H VAL 29 H VAL 29 0.261 -4.043 0.341 194 HA VAL 29 HA VAL 29 -0.422 -1.551 1.449 195 HB VAL 29 HB VAL 29 1.921 -3.333 2.134 196 HG11 VAL 29 1HG1 VAL 29 0.651 -1.040 3.619 197 HG12 VAL 29 2HG1 VAL 29 1.763 -2.195 4.355 198 HG13 VAL 29 3HG1 VAL 29 2.312 -1.157 3.039 199 HG21 VAL 29 3HG2 VAL 29 -0.838 -3.780 2.406 200 HG22 VAL 29 1HG2 VAL 29 0.481 -4.709 3.120 201 HG23 VAL 29 2HG2 VAL 29 -0.244 -3.375 4.017 202 H GLN 30 H GLN 30 2.733 -2.641 0.182 203 HA GLN 30 HA GLN 30 4.060 -0.214 0.344 204 HB2 GLN 30 1HB GLN 30 4.416 -2.382 -1.733 205 HB3 GLN 30 2HB GLN 30 5.574 -1.105 -1.387 206 HG2 GLN 30 1HG GLN 30 4.714 -3.317 0.461 207 HG3 GLN 30 2HG GLN 30 6.282 -3.131 -0.322 208 HE21 GLN 30 1HE2 GLN 30 4.098 -1.715 2.040 209 HE22 GLN 30 2HE2 GLN 30 5.319 -0.920 2.968 210 H HIS 31 H HIS 31 1.663 -1.276 -1.918 211 HA HIS 31 HA HIS 31 2.239 0.749 -3.885 212 HB2 HIS 31 1HB HIS 31 1.242 -1.013 -4.953 213 HB3 HIS 31 2HB HIS 31 0.241 -1.429 -3.565 214 HD1 HIS 31 HD1 HIS 31 0.363 0.939 -6.493 215 HD2 HIS 31 HD2 HIS 31 -2.303 -0.364 -3.585 216 HE1 HIS 31 HE1 HIS 31 -1.877 1.860 -7.173 217 H HIS 32 H HIS 32 0.297 0.467 -1.037 218 HA HIS 32 HA HIS 32 -1.564 2.531 -1.601 219 HB2 HIS 32 1HB HIS 32 -0.676 1.088 0.864 220 HB3 HIS 32 2HB HIS 32 -1.632 2.557 1.037 221 HD2 HIS 32 HD2 HIS 32 -2.189 -1.134 0.604 222 HE1 HIS 32 HE1 HIS 32 -5.770 0.730 -0.700 223 HE2 HIS 32 HE2 HIS 32 -4.695 -1.427 0.034 224 H SER 33 H SER 33 1.695 2.713 -1.285 225 HA SER 33 HA SER 33 1.599 5.421 -0.127 226 HB2 SER 33 1HB SER 33 3.646 3.247 0.001 227 HB3 SER 33 2HB SER 33 4.196 4.923 0.042 228 HG SER 33 HG SER 33 3.479 3.641 2.088 229 H VAL 34 H VAL 34 1.456 4.082 -2.999 230 HA VAL 34 HA VAL 34 3.593 5.489 -4.355 231 HB VAL 34 HB VAL 34 2.779 4.517 -6.381 232 HG11 VAL 34 1HG1 VAL 34 3.971 2.842 -5.396 233 HG12 VAL 34 2HG1 VAL 34 2.923 2.777 -3.978 234 HG13 VAL 34 3HG1 VAL 34 2.400 2.049 -5.498 235 HG21 VAL 34 3HG2 VAL 34 0.616 2.968 -5.946 236 HG22 VAL 34 1HG2 VAL 34 0.262 4.314 -4.862 237 HG23 VAL 34 2HG2 VAL 34 0.531 4.612 -6.579 238 H HIS 35 H HIS 35 0.233 5.965 -3.612 239 HA HIS 35 HA HIS 35 -0.069 8.139 -5.510 240 HB2 HIS 35 1HB HIS 35 -2.054 7.520 -3.350 241 HB3 HIS 35 2HB HIS 35 -2.337 8.137 -4.975 242 HD1 HIS 35 HD1 HIS 35 -1.766 6.269 -6.931 243 HD2 HIS 35 HD2 HIS 35 -2.566 4.877 -3.099 244 HE1 HIS 35 HE1 HIS 35 -2.365 3.843 -7.209 245 H SER 36 H SER 36 1.965 8.395 -3.462 246 HA SER 36 HA SER 36 0.970 10.254 -1.499 247 HB2 SER 36 1HB SER 36 3.352 10.467 -0.846 248 HB3 SER 36 2HB SER 36 2.829 8.784 -0.920 249 HG SER 36 HG SER 36 3.973 8.492 -2.748 250 H GLY 37 H GLY 37 2.957 10.434 -4.433 251 HA2 GLY 37 1HA GLY 37 3.484 13.202 -4.306 252 HA3 GLY 37 2HA GLY 37 3.557 12.211 -5.756 253 H GLU 38 H GLU 38 2.459 13.278 -7.274 254 HA GLU 38 HA GLU 38 -0.318 14.022 -6.673 255 HB2 GLU 38 1HB GLU 38 1.491 15.956 -6.800 256 HB3 GLU 38 2HB GLU 38 1.253 15.750 -8.529 257 HG2 GLU 38 1HG GLU 38 -0.185 17.490 -7.789 258 HG3 GLU 38 2HG GLU 38 -1.182 16.088 -8.174 259 H ARG 39 H ARG 39 -1.743 13.992 -8.469 260 HA ARG 39 HA ARG 39 -0.705 12.511 -10.796 261 HB2 ARG 39 1HB ARG 39 -2.189 11.191 -9.238 262 HB3 ARG 39 2HB ARG 39 -3.496 12.286 -9.669 263 HG2 ARG 39 1HG ARG 39 -3.166 11.619 -12.052 264 HG3 ARG 39 2HG ARG 39 -2.022 10.399 -11.488 265 HD2 ARG 39 1HD ARG 39 -3.858 9.506 -10.023 266 HD3 ARG 39 2HD ARG 39 -4.960 10.602 -10.856 267 HE ARG 39 HE ARG 39 -3.509 8.974 -12.687 268 HH11 ARG 39 1HH1 ARG 39 -6.199 8.972 -10.477 269 HH12 ARG 39 2HH1 ARG 39 -7.054 7.719 -11.313 270 HH21 ARG 39 1HH2 ARG 39 -4.625 7.323 -13.797 271 HH22 ARG 39 2HH2 ARG 39 -6.157 6.780 -13.201 272 HA PRO 40 HA PRO 40 -2.192 15.874 -13.231 273 HB2 PRO 40 1HB PRO 40 -2.254 14.619 -15.638 274 HB3 PRO 40 2HB PRO 40 -0.751 15.126 -14.857 275 HG2 PRO 40 1HG PRO 40 -2.029 12.420 -14.930 276 HG3 PRO 40 2HG PRO 40 -0.322 12.857 -15.128 277 HD2 PRO 40 1HD PRO 40 -1.319 11.892 -12.802 278 HD3 PRO 40 2HD PRO 40 0.020 13.057 -12.857 279 H SER 41 H SER 41 -4.069 16.613 -14.230 280 HA SER 41 HA SER 41 -6.485 15.434 -13.458 281 HB2 SER 41 1HB SER 41 -7.571 17.159 -14.708 282 HB3 SER 41 2HB SER 41 -6.093 17.865 -14.056 283 HG SER 41 HG SER 41 -5.133 17.640 -16.069 284 H GLY 42 H GLY 42 -8.275 14.822 -14.985 285 HA2 GLY 42 1HA GLY 42 -7.236 13.309 -17.296 286 HA3 GLY 42 2HA GLY 42 -8.321 12.554 -16.138 287 HA PRO 43 HA PRO 43 -10.820 14.328 -19.643 288 HB2 PRO 43 1HB PRO 43 -12.235 12.059 -20.113 289 HB3 PRO 43 2HB PRO 43 -10.673 12.391 -20.870 290 HG2 PRO 43 1HG PRO 43 -11.301 10.683 -18.494 291 HG3 PRO 43 2HG PRO 43 -10.203 10.356 -19.848 292 HD2 PRO 43 1HD PRO 43 -9.325 11.216 -17.435 293 HD3 PRO 43 2HD PRO 43 -8.516 11.647 -18.955 294 H SER 44 H SER 44 -13.303 14.173 -19.833 295 HA SER 44 HA SER 44 -15.342 14.603 -18.921 296 HB2 SER 44 1HB SER 44 -14.433 12.820 -16.650 297 HB3 SER 44 2HB SER 44 -16.096 13.214 -17.086 298 HG SER 44 HG SER 44 -16.021 11.603 -18.414 299 H SER 45 H SER 45 -13.426 16.529 -18.493 300 HA SER 45 HA SER 45 -12.828 17.400 -15.985 301 HB2 SER 45 1HB SER 45 -12.815 19.670 -16.864 302 HB3 SER 45 2HB SER 45 -12.187 18.564 -18.086 303 HG SER 45 HG SER 45 -13.777 19.103 -19.341 304 H GLY 46 H GLY 46 -15.891 17.974 -17.703 305 HA2 GLY 46 1HA GLY 46 -17.200 19.539 -15.850 306 HA3 GLY 46 2HA GLY 46 -18.005 18.377 -16.893 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -5.935 -3.030 -30.770 2 HA2 GLY 1 1HA GLY 1 -6.309 -2.995 -28.404 3 HA3 GLY 1 2HA GLY 1 -6.999 -4.509 -28.970 4 H SER 2 H SER 2 -4.778 -3.076 -26.880 5 HA SER 2 HA SER 2 -2.944 -5.255 -26.634 6 HB2 SER 2 1HB SER 2 -2.640 -2.752 -25.960 7 HB3 SER 2 2HB SER 2 -3.414 -3.244 -24.453 8 HG SER 2 HG SER 2 -1.027 -4.279 -25.584 9 H SER 3 H SER 3 -4.141 -7.121 -26.287 10 HA SER 3 HA SER 3 -5.943 -7.255 -24.011 11 HB2 SER 3 1HB SER 3 -6.342 -8.395 -26.277 12 HB3 SER 3 2HB SER 3 -5.131 -9.569 -25.765 13 HG SER 3 HG SER 3 -7.401 -8.921 -24.202 14 H GLY 4 H GLY 4 -4.897 -7.293 -22.103 15 HA2 GLY 4 1HA GLY 4 -2.929 -9.454 -21.714 16 HA3 GLY 4 2HA GLY 4 -2.594 -7.832 -21.126 17 H SER 5 H SER 5 -4.022 -10.824 -20.435 18 HA SER 5 HA SER 5 -6.045 -10.251 -18.651 19 HB2 SER 5 1HB SER 5 -4.050 -12.482 -18.831 20 HB3 SER 5 2HB SER 5 -5.141 -12.402 -17.448 21 HG SER 5 HG SER 5 -5.703 -12.868 -20.145 22 H SER 6 H SER 6 -2.617 -10.782 -17.813 23 HA SER 6 HA SER 6 -1.521 -10.354 -15.824 24 HB2 SER 6 1HB SER 6 -1.394 -7.885 -15.413 25 HB3 SER 6 2HB SER 6 -1.110 -8.340 -17.093 26 HG SER 6 HG SER 6 -3.299 -7.030 -15.941 27 H GLY 7 H GLY 7 -3.955 -11.505 -15.204 28 HA2 GLY 7 1HA GLY 7 -4.399 -11.436 -12.650 29 HA3 GLY 7 2HA GLY 7 -5.057 -9.854 -13.036 30 H THR 8 H THR 8 -5.310 -13.189 -14.276 31 HA THR 8 HA THR 8 -7.862 -12.933 -15.372 32 HB THR 8 HB THR 8 -6.397 -14.840 -15.863 33 HG1 THR 8 HG1 THR 8 -8.660 -16.019 -14.689 34 HG21 THR 8 3HG2 THR 8 -7.159 -16.014 -13.204 35 HG22 THR 8 1HG2 THR 8 -5.683 -15.072 -13.409 36 HG23 THR 8 2HG2 THR 8 -5.918 -16.555 -14.334 37 H GLY 9 H GLY 9 -6.879 -14.032 -12.137 38 HA2 GLY 9 1HA GLY 9 -9.703 -14.063 -11.328 39 HA3 GLY 9 2HA GLY 9 -8.376 -14.803 -10.446 40 H GLU 10 H GLU 10 -10.388 -12.100 -10.713 41 HA GLU 10 HA GLU 10 -8.997 -9.940 -9.840 42 HB2 GLU 10 1HB GLU 10 -11.708 -10.876 -8.890 43 HB3 GLU 10 2HB GLU 10 -11.058 -9.272 -8.581 44 HG2 GLU 10 1HG GLU 10 -11.144 -8.676 -10.843 45 HG3 GLU 10 2HG GLU 10 -11.342 -10.348 -11.363 46 H LYS 11 H LYS 11 -7.753 -9.457 -8.161 47 HA LYS 11 HA LYS 11 -7.201 -11.328 -6.112 48 HB2 LYS 11 1HB LYS 11 -6.540 -8.391 -5.990 49 HB3 LYS 11 2HB LYS 11 -5.664 -9.731 -5.263 50 HG2 LYS 11 1HG LYS 11 -5.884 -9.150 -8.210 51 HG3 LYS 11 2HG LYS 11 -4.477 -8.850 -7.188 52 HD2 LYS 11 1HD LYS 11 -3.961 -11.086 -7.012 53 HD3 LYS 11 2HD LYS 11 -5.624 -11.602 -7.301 54 HE2 LYS 11 1HE LYS 11 -5.446 -11.214 -9.620 55 HE3 LYS 11 2HE LYS 11 -3.959 -10.286 -9.430 56 HZ1 LYS 11 3HZ LYS 11 -2.736 -12.213 -8.987 57 HZ2 LYS 11 1HZ LYS 11 -3.741 -12.645 -10.277 58 HZ3 LYS 11 2HZ LYS 11 -4.116 -13.150 -8.707 59 HA PRO 12 HA PRO 12 -10.204 -10.417 -3.039 60 HB2 PRO 12 1HB PRO 12 -8.782 -10.905 -0.778 61 HB3 PRO 12 2HB PRO 12 -9.345 -12.189 -1.854 62 HG2 PRO 12 1HG PRO 12 -6.639 -10.923 -1.669 63 HG3 PRO 12 2HG PRO 12 -7.063 -12.635 -1.849 64 HD2 PRO 12 1HD PRO 12 -6.264 -11.105 -3.935 65 HD3 PRO 12 2HD PRO 12 -7.423 -12.437 -4.117 66 H TYR 13 H TYR 13 -7.109 -8.788 -2.936 67 HA TYR 13 HA TYR 13 -8.320 -6.628 -1.341 68 HB2 TYR 13 1HB TYR 13 -5.365 -6.808 -1.714 69 HB3 TYR 13 2HB TYR 13 -6.288 -6.200 -0.344 70 HD1 TYR 13 HD2 TYR 13 -8.069 -8.541 0.154 71 HD2 TYR 13 HD1 TYR 13 -3.909 -8.347 -0.714 72 HE1 TYR 13 HE2 TYR 13 -7.730 -10.673 1.333 73 HE2 TYR 13 HE1 TYR 13 -3.558 -10.479 0.462 74 HH TYR 13 HH TYR 13 -4.799 -12.433 1.140 75 H LYS 14 H LYS 14 -9.032 -5.076 -2.648 76 HA LYS 14 HA LYS 14 -7.312 -4.247 -4.894 77 HB2 LYS 14 1HB LYS 14 -9.314 -5.165 -5.813 78 HB3 LYS 14 2HB LYS 14 -10.320 -4.291 -4.665 79 HG2 LYS 14 1HG LYS 14 -9.249 -2.187 -5.797 80 HG3 LYS 14 2HG LYS 14 -8.955 -3.314 -7.124 81 HD2 LYS 14 1HD LYS 14 -11.488 -3.920 -6.720 82 HD3 LYS 14 2HD LYS 14 -11.531 -2.301 -6.017 83 HE2 LYS 14 1HE LYS 14 -12.052 -1.851 -8.211 84 HE3 LYS 14 2HE LYS 14 -10.303 -1.630 -8.224 85 HZ1 LYS 14 3HZ LYS 14 -10.585 -2.969 -10.033 86 HZ2 LYS 14 1HZ LYS 14 -11.912 -3.792 -9.380 87 HZ3 LYS 14 2HZ LYS 14 -10.347 -4.151 -8.846 88 H CYS 15 H CYS 15 -6.806 -2.121 -5.092 89 HA CYS 15 HA CYS 15 -6.937 -0.450 -2.849 90 HB2 CYS 15 1HB CYS 15 -5.437 -0.416 -5.050 91 HB3 CYS 15 2HB CYS 15 -6.636 0.772 -5.552 92 H GLN 16 H GLN 16 -7.754 1.968 -3.274 93 HA GLN 16 HA GLN 16 -10.531 1.820 -4.233 94 HB2 GLN 16 1HB GLN 16 -9.661 3.311 -1.756 95 HB3 GLN 16 2HB GLN 16 -11.304 3.090 -2.341 96 HG2 GLN 16 1HG GLN 16 -9.481 0.937 -1.293 97 HG3 GLN 16 2HG GLN 16 -10.863 1.642 -0.456 98 HE21 GLN 16 1HE2 GLN 16 -9.989 -1.068 -1.800 99 HE22 GLN 16 2HE2 GLN 16 -11.457 -1.585 -2.550 100 H VAL 17 H VAL 17 -7.626 3.681 -3.770 101 HA VAL 17 HA VAL 17 -8.707 6.153 -4.740 102 HB VAL 17 HB VAL 17 -6.345 6.896 -4.845 103 HG11 VAL 17 1HG1 VAL 17 -7.357 5.583 -2.339 104 HG12 VAL 17 2HG1 VAL 17 -5.876 6.542 -2.368 105 HG13 VAL 17 3HG1 VAL 17 -7.419 7.286 -2.790 106 HG21 VAL 17 3HG2 VAL 17 -4.925 5.204 -5.338 107 HG22 VAL 17 1HG2 VAL 17 -4.830 5.075 -3.582 108 HG23 VAL 17 2HG2 VAL 17 -5.892 3.998 -4.489 109 H CYS 18 H CYS 18 -6.748 3.542 -6.117 110 HA CYS 18 HA CYS 18 -7.149 4.736 -8.781 111 HB2 CYS 18 1HB CYS 18 -5.147 3.573 -9.506 112 HB3 CYS 18 2HB CYS 18 -4.781 4.527 -8.073 113 H GLY 19 H GLY 19 -7.519 1.885 -6.809 114 HA2 GLY 19 1HA GLY 19 -9.194 0.261 -7.200 115 HA3 GLY 19 2HA GLY 19 -9.210 0.721 -8.896 116 H LYS 20 H LYS 20 -6.159 0.218 -7.363 117 HA LYS 20 HA LYS 20 -5.418 -1.807 -9.199 118 HB2 LYS 20 1HB LYS 20 -4.168 -0.516 -6.823 119 HB3 LYS 20 2HB LYS 20 -3.496 -2.047 -7.367 120 HG2 LYS 20 1HG LYS 20 -3.933 0.178 -9.312 121 HG3 LYS 20 2HG LYS 20 -2.513 0.169 -8.263 122 HD2 LYS 20 1HD LYS 20 -2.215 -2.264 -9.116 123 HD3 LYS 20 2HD LYS 20 -3.287 -1.756 -10.423 124 HE2 LYS 20 1HE LYS 20 -0.822 -0.209 -9.672 125 HE3 LYS 20 2HE LYS 20 -0.779 -1.543 -10.823 126 HZ1 LYS 20 3HZ LYS 20 -2.683 0.683 -11.172 127 HZ2 LYS 20 1HZ LYS 20 -2.078 -0.390 -12.332 128 HZ3 LYS 20 2HZ LYS 20 -1.084 0.827 -11.706 129 H ALA 21 H ALA 21 -4.291 -3.873 -8.224 130 HA ALA 21 HA ALA 21 -5.835 -5.064 -6.063 131 HB1 ALA 21 3HB ALA 21 -5.715 -6.494 -8.703 132 HB2 ALA 21 1HB ALA 21 -6.698 -6.875 -7.289 133 HB3 ALA 21 2HB ALA 21 -7.061 -5.446 -8.256 134 H PHE 22 H PHE 22 -4.835 -6.839 -5.098 135 HA PHE 22 HA PHE 22 -2.357 -7.862 -6.204 136 HB2 PHE 22 1HB PHE 22 -2.283 -6.673 -3.437 137 HB3 PHE 22 2HB PHE 22 -0.932 -7.200 -4.435 138 HD1 PHE 22 HD2 PHE 22 -3.725 -4.730 -4.466 139 HD2 PHE 22 HD1 PHE 22 0.297 -5.610 -5.548 140 HE1 PHE 22 HE2 PHE 22 -3.448 -2.430 -5.294 141 HE2 PHE 22 HE1 PHE 22 0.580 -3.311 -6.377 142 HZ PHE 22 HZ PHE 22 -1.294 -1.718 -6.252 143 H ARG 23 H ARG 23 -2.488 -9.984 -5.969 144 HA ARG 23 HA ARG 23 -4.352 -11.358 -4.463 145 HB2 ARG 23 1HB ARG 23 -2.481 -13.243 -4.622 146 HB3 ARG 23 2HB ARG 23 -3.413 -12.735 -6.023 147 HG2 ARG 23 1HG ARG 23 -1.645 -11.500 -6.905 148 HG3 ARG 23 2HG ARG 23 -0.788 -11.457 -5.363 149 HD2 ARG 23 1HD ARG 23 -1.247 -13.916 -7.049 150 HD3 ARG 23 2HD ARG 23 0.257 -13.001 -6.963 151 HE ARG 23 HE ARG 23 -0.416 -13.731 -4.367 152 HH11 ARG 23 1HH1 ARG 23 0.455 -15.276 -7.363 153 HH12 ARG 23 2HH1 ARG 23 1.186 -16.646 -6.595 154 HH21 ARG 23 1HH2 ARG 23 0.543 -15.529 -3.344 155 HH22 ARG 23 2HH2 ARG 23 1.235 -16.789 -4.309 156 H VAL 24 H VAL 24 -1.454 -9.851 -3.432 157 HA VAL 24 HA VAL 24 -1.643 -11.203 -0.819 158 HB VAL 24 HB VAL 24 0.666 -10.823 -0.445 159 HG11 VAL 24 1HG1 VAL 24 1.694 -11.775 -2.624 160 HG12 VAL 24 2HG1 VAL 24 0.512 -12.741 -1.739 161 HG13 VAL 24 3HG1 VAL 24 0.022 -11.851 -3.181 162 HG21 VAL 24 3HG2 VAL 24 0.824 -9.265 -3.019 163 HG22 VAL 24 1HG2 VAL 24 0.660 -8.519 -1.429 164 HG23 VAL 24 2HG2 VAL 24 2.089 -9.479 -1.810 165 H SER 25 H SER 25 -1.165 -9.880 1.069 166 HA SER 25 HA SER 25 -2.462 -7.306 0.875 167 HB2 SER 25 1HB SER 25 -3.033 -8.730 2.753 168 HB3 SER 25 2HB SER 25 -1.342 -8.821 3.244 169 HG SER 25 HG SER 25 -1.879 -6.278 3.116 170 H SER 26 H SER 26 0.740 -8.541 1.747 171 HA SER 26 HA SER 26 1.974 -6.228 2.582 172 HB2 SER 26 1HB SER 26 4.081 -7.248 1.928 173 HB3 SER 26 2HB SER 26 3.015 -8.490 2.584 174 HG SER 26 HG SER 26 3.248 -9.486 0.762 175 H HIS 27 H HIS 27 2.107 -7.494 -0.754 176 HA HIS 27 HA HIS 27 3.334 -5.367 -1.978 177 HB2 HIS 27 1HB HIS 27 1.203 -7.236 -3.011 178 HB3 HIS 27 2HB HIS 27 2.007 -6.056 -4.042 179 HD2 HIS 27 HD2 HIS 27 4.533 -7.545 -1.649 180 HE1 HIS 27 HE1 HIS 27 4.753 -9.857 -5.200 181 HE2 HIS 27 HE2 HIS 27 5.795 -9.387 -2.955 182 H LEU 28 H LEU 28 -0.198 -5.843 -1.779 183 HA LEU 28 HA LEU 28 -1.049 -3.502 -2.912 184 HB2 LEU 28 1HB LEU 28 -2.694 -5.057 -2.344 185 HB3 LEU 28 2HB LEU 28 -2.158 -5.148 -0.667 186 HG LEU 28 HG LEU 28 -3.144 -3.026 -0.167 187 HD11 LEU 28 1HD1 LEU 28 -4.598 -2.245 -2.378 188 HD12 LEU 28 2HD1 LEU 28 -3.027 -2.689 -3.047 189 HD13 LEU 28 3HD1 LEU 28 -3.131 -1.479 -1.768 190 HD21 LEU 28 3HD2 LEU 28 -4.565 -5.259 -0.735 191 HD22 LEU 28 1HD2 LEU 28 -5.358 -4.084 -1.784 192 HD23 LEU 28 2HD2 LEU 28 -5.255 -3.788 -0.048 193 H VAL 29 H VAL 29 0.082 -4.006 0.393 194 HA VAL 29 HA VAL 29 -0.568 -1.465 1.410 195 HB VAL 29 HB VAL 29 1.668 -3.324 2.232 196 HG11 VAL 29 1HG1 VAL 29 0.535 -0.853 3.513 197 HG12 VAL 29 2HG1 VAL 29 1.409 -2.078 4.434 198 HG13 VAL 29 3HG1 VAL 29 2.216 -1.216 3.123 199 HG21 VAL 29 3HG2 VAL 29 -1.169 -3.487 2.519 200 HG22 VAL 29 1HG2 VAL 29 0.070 -4.608 3.083 201 HG23 VAL 29 2HG2 VAL 29 -0.439 -3.267 4.109 202 H GLN 30 H GLN 30 2.559 -2.695 0.210 203 HA GLN 30 HA GLN 30 3.982 -0.313 0.397 204 HB2 GLN 30 1HB GLN 30 4.316 -2.530 -1.632 205 HB3 GLN 30 2HB GLN 30 5.511 -1.290 -1.273 206 HG2 GLN 30 1HG GLN 30 4.540 -3.487 0.532 207 HG3 GLN 30 2HG GLN 30 6.157 -3.265 -0.134 208 HE21 GLN 30 1HE2 GLN 30 3.799 -1.980 2.120 209 HE22 GLN 30 2HE2 GLN 30 4.932 -1.154 3.129 210 H HIS 31 H HIS 31 1.562 -1.280 -1.858 211 HA HIS 31 HA HIS 31 2.283 0.673 -3.862 212 HB2 HIS 31 1HB HIS 31 1.249 -1.071 -4.927 213 HB3 HIS 31 2HB HIS 31 0.193 -1.420 -3.561 214 HD1 HIS 31 HD1 HIS 31 0.491 0.872 -6.534 215 HD2 HIS 31 HD2 HIS 31 -2.301 -0.239 -3.665 216 HE1 HIS 31 HE1 HIS 31 -1.688 1.874 -7.292 217 H HIS 32 H HIS 32 0.320 0.537 -1.034 218 HA HIS 32 HA HIS 32 -1.477 2.641 -1.675 219 HB2 HIS 32 1HB HIS 32 -0.643 1.281 0.866 220 HB3 HIS 32 2HB HIS 32 -1.633 2.736 0.932 221 HD2 HIS 32 HD2 HIS 32 -2.452 -0.670 1.406 222 HE1 HIS 32 HE1 HIS 32 -5.414 0.505 -1.395 223 HE2 HIS 32 HE2 HIS 32 -4.760 -1.183 0.356 224 H SER 33 H SER 33 1.777 2.731 -1.349 225 HA SER 33 HA SER 33 1.771 5.451 -0.218 226 HB2 SER 33 1HB SER 33 3.142 3.857 1.059 227 HB3 SER 33 2HB SER 33 4.060 3.475 -0.397 228 HG SER 33 HG SER 33 5.142 5.020 0.873 229 H VAL 34 H VAL 34 1.569 4.083 -3.083 230 HA VAL 34 HA VAL 34 3.708 5.460 -4.469 231 HB VAL 34 HB VAL 34 2.931 4.437 -6.460 232 HG11 VAL 34 1HG1 VAL 34 2.924 2.749 -4.018 233 HG12 VAL 34 2HG1 VAL 34 2.414 2.006 -5.536 234 HG13 VAL 34 3HG1 VAL 34 4.016 2.734 -5.403 235 HG21 VAL 34 3HG2 VAL 34 0.355 4.344 -5.017 236 HG22 VAL 34 1HG2 VAL 34 0.693 4.642 -6.722 237 HG23 VAL 34 2HG2 VAL 34 0.696 2.993 -6.098 238 H HIS 35 H HIS 35 0.282 5.861 -3.864 239 HA HIS 35 HA HIS 35 -0.079 7.971 -5.768 240 HB2 HIS 35 1HB HIS 35 -1.860 7.469 -3.395 241 HB3 HIS 35 2HB HIS 35 -2.294 8.119 -4.973 242 HD1 HIS 35 HD1 HIS 35 -1.709 6.180 -6.982 243 HD2 HIS 35 HD2 HIS 35 -2.703 4.926 -3.148 244 HE1 HIS 35 HE1 HIS 35 -2.477 3.799 -7.231 245 H SER 36 H SER 36 0.128 7.864 -2.214 246 HA SER 36 HA SER 36 0.126 10.702 -1.936 247 HB2 SER 36 1HB SER 36 0.603 8.387 -0.095 248 HB3 SER 36 2HB SER 36 1.042 10.012 0.432 249 HG SER 36 HG SER 36 -1.084 9.547 1.036 250 H GLY 37 H GLY 37 1.749 12.067 -2.259 251 HA2 GLY 37 1HA GLY 37 4.431 11.510 -1.466 252 HA3 GLY 37 2HA GLY 37 4.251 11.390 -3.210 253 H GLU 38 H GLU 38 4.541 13.490 -0.517 254 HA GLU 38 HA GLU 38 4.337 15.793 -0.316 255 HB2 GLU 38 1HB GLU 38 6.101 15.585 -2.760 256 HB3 GLU 38 2HB GLU 38 6.077 16.895 -1.588 257 HG2 GLU 38 1HG GLU 38 6.884 15.368 0.139 258 HG3 GLU 38 2HG GLU 38 6.910 14.055 -1.038 259 H ARG 39 H ARG 39 2.038 15.011 -1.516 260 HA ARG 39 HA ARG 39 1.509 17.261 -3.292 261 HB2 ARG 39 1HB ARG 39 1.143 14.375 -4.022 262 HB3 ARG 39 2HB ARG 39 0.074 15.598 -4.696 263 HG2 ARG 39 1HG ARG 39 1.991 16.766 -5.644 264 HG3 ARG 39 2HG ARG 39 3.074 15.556 -4.953 265 HD2 ARG 39 1HD ARG 39 2.755 14.964 -7.226 266 HD3 ARG 39 2HD ARG 39 1.805 13.828 -6.269 267 HE ARG 39 HE ARG 39 0.334 16.127 -7.197 268 HH11 ARG 39 1HH1 ARG 39 1.363 12.877 -7.906 269 HH12 ARG 39 2HH1 ARG 39 0.080 12.577 -9.031 270 HH21 ARG 39 1HH2 ARG 39 -1.360 15.743 -8.677 271 HH22 ARG 39 2HH2 ARG 39 -1.467 14.208 -9.470 272 HA PRO 40 HA PRO 40 -2.186 17.575 -0.941 273 HB2 PRO 40 1HB PRO 40 -3.825 18.778 -2.741 274 HB3 PRO 40 2HB PRO 40 -2.494 19.621 -1.939 275 HG2 PRO 40 1HG PRO 40 -2.596 18.416 -4.678 276 HG3 PRO 40 2HG PRO 40 -1.913 19.970 -4.164 277 HD2 PRO 40 1HD PRO 40 -0.382 17.783 -4.615 278 HD3 PRO 40 2HD PRO 40 0.032 19.003 -3.393 279 H SER 41 H SER 41 -3.879 16.298 -0.460 280 HA SER 41 HA SER 41 -4.627 14.238 -2.386 281 HB2 SER 41 1HB SER 41 -4.069 13.442 -0.173 282 HB3 SER 41 2HB SER 41 -5.222 14.555 0.565 283 HG SER 41 HG SER 41 -6.134 12.499 0.409 284 H GLY 42 H GLY 42 -6.733 13.857 -3.067 285 HA2 GLY 42 1HA GLY 42 -8.608 16.090 -2.584 286 HA3 GLY 42 2HA GLY 42 -8.472 15.251 -4.122 287 HA PRO 43 HA PRO 43 -10.652 12.264 -0.970 288 HB2 PRO 43 1HB PRO 43 -11.700 13.473 1.224 289 HB3 PRO 43 2HB PRO 43 -10.070 12.791 1.190 290 HG2 PRO 43 1HG PRO 43 -10.939 15.637 0.868 291 HG3 PRO 43 2HG PRO 43 -9.580 14.981 1.799 292 HD2 PRO 43 1HD PRO 43 -9.264 16.107 -0.643 293 HD3 PRO 43 2HD PRO 43 -8.238 14.779 -0.064 294 H SER 44 H SER 44 -13.039 12.185 -0.113 295 HA SER 44 HA SER 44 -14.662 14.000 -1.775 296 HB2 SER 44 1HB SER 44 -15.022 11.041 -1.264 297 HB3 SER 44 2HB SER 44 -16.264 12.059 -1.995 298 HG SER 44 HG SER 44 -14.530 12.623 -3.556 299 H SER 45 H SER 45 -16.995 14.067 -1.050 300 HA SER 45 HA SER 45 -17.144 13.996 1.893 301 HB2 SER 45 1HB SER 45 -16.978 16.312 1.034 302 HB3 SER 45 2HB SER 45 -18.421 16.039 0.057 303 HG SER 45 HG SER 45 -19.229 15.363 2.360 304 H GLY 46 H GLY 46 -19.025 13.266 2.822 305 HA2 GLY 46 1HA GLY 46 -21.463 12.886 1.443 306 HA3 GLY 46 2HA GLY 46 -20.553 11.382 1.444 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -2.773 -4.533 -23.482 2 HA2 GLY 1 1HA GLY 1 -2.197 -1.773 -22.641 3 HA3 GLY 1 2HA GLY 1 -3.862 -2.251 -22.940 4 H SER 2 H SER 2 -4.534 -1.897 -20.833 5 HA SER 2 HA SER 2 -3.254 -2.763 -18.515 6 HB2 SER 2 1HB SER 2 -5.532 -2.627 -17.465 7 HB3 SER 2 2HB SER 2 -5.072 -1.188 -18.373 8 HG SER 2 HG SER 2 -7.237 -1.961 -18.791 9 H SER 3 H SER 3 -2.487 -4.823 -18.517 10 HA SER 3 HA SER 3 -3.372 -7.120 -19.549 11 HB2 SER 3 1HB SER 3 -2.457 -6.901 -16.671 12 HB3 SER 3 2HB SER 3 -2.360 -8.332 -17.697 13 HG SER 3 HG SER 3 -0.471 -7.577 -18.212 14 H GLY 4 H GLY 4 -4.953 -8.627 -19.266 15 HA2 GLY 4 1HA GLY 4 -6.672 -8.645 -16.968 16 HA3 GLY 4 2HA GLY 4 -7.451 -7.948 -18.380 17 H SER 5 H SER 5 -7.370 -9.312 -20.386 18 HA SER 5 HA SER 5 -8.741 -11.599 -20.220 19 HB2 SER 5 1HB SER 5 -8.213 -10.648 -22.376 20 HB3 SER 5 2HB SER 5 -6.502 -11.021 -22.172 21 HG SER 5 HG SER 5 -7.199 -13.277 -22.070 22 H SER 6 H SER 6 -8.325 -13.843 -20.177 23 HA SER 6 HA SER 6 -7.395 -15.733 -19.319 24 HB2 SER 6 1HB SER 6 -5.026 -14.286 -20.451 25 HB3 SER 6 2HB SER 6 -4.778 -15.770 -19.530 26 HG SER 6 HG SER 6 -5.547 -15.511 -22.061 27 H GLY 7 H GLY 7 -8.107 -13.867 -17.424 28 HA2 GLY 7 1HA GLY 7 -5.879 -13.851 -15.500 29 HA3 GLY 7 2HA GLY 7 -7.309 -12.834 -15.410 30 H THR 8 H THR 8 -5.864 -15.151 -13.792 31 HA THR 8 HA THR 8 -7.621 -17.254 -13.424 32 HB THR 8 HB THR 8 -5.457 -17.318 -12.382 33 HG1 THR 8 HG1 THR 8 -6.208 -18.400 -10.714 34 HG21 THR 8 3HG2 THR 8 -5.642 -14.739 -11.866 35 HG22 THR 8 1HG2 THR 8 -4.618 -15.787 -10.887 36 HG23 THR 8 2HG2 THR 8 -6.216 -15.320 -10.303 37 H GLY 9 H GLY 9 -7.677 -14.029 -11.976 38 HA2 GLY 9 1HA GLY 9 -10.375 -13.746 -11.716 39 HA3 GLY 9 2HA GLY 9 -9.913 -14.626 -10.267 40 H GLU 10 H GLU 10 -11.061 -12.272 -9.847 41 HA GLU 10 HA GLU 10 -9.165 -10.115 -9.735 42 HB2 GLU 10 1HB GLU 10 -11.980 -10.496 -8.758 43 HB3 GLU 10 2HB GLU 10 -11.044 -9.090 -8.273 44 HG2 GLU 10 1HG GLU 10 -11.268 -9.769 -11.164 45 HG3 GLU 10 2HG GLU 10 -12.619 -8.988 -10.345 46 H LYS 11 H LYS 11 -7.857 -9.548 -8.108 47 HA LYS 11 HA LYS 11 -7.271 -11.322 -6.018 48 HB2 LYS 11 1HB LYS 11 -6.624 -8.375 -6.008 49 HB3 LYS 11 2HB LYS 11 -5.731 -9.677 -5.233 50 HG2 LYS 11 1HG LYS 11 -5.984 -9.190 -8.193 51 HG3 LYS 11 2HG LYS 11 -4.553 -8.923 -7.194 52 HD2 LYS 11 1HD LYS 11 -4.216 -11.221 -6.868 53 HD3 LYS 11 2HD LYS 11 -5.853 -11.624 -7.393 54 HE2 LYS 11 1HE LYS 11 -4.035 -10.268 -9.320 55 HE3 LYS 11 2HE LYS 11 -3.762 -11.974 -8.971 56 HZ1 LYS 11 3HZ LYS 11 -6.196 -12.284 -9.490 57 HZ2 LYS 11 1HZ LYS 11 -5.199 -11.912 -10.806 58 HZ3 LYS 11 2HZ LYS 11 -6.180 -10.716 -10.124 59 HA PRO 12 HA PRO 12 -10.168 -10.374 -2.855 60 HB2 PRO 12 1HB PRO 12 -8.666 -10.829 -0.640 61 HB3 PRO 12 2HB PRO 12 -9.264 -12.128 -1.678 62 HG2 PRO 12 1HG PRO 12 -6.555 -10.857 -1.607 63 HG3 PRO 12 2HG PRO 12 -6.983 -12.572 -1.748 64 HD2 PRO 12 1HD PRO 12 -6.261 -11.069 -3.882 65 HD3 PRO 12 2HD PRO 12 -7.424 -12.405 -4.004 66 H TYR 13 H TYR 13 -7.110 -8.705 -2.963 67 HA TYR 13 HA TYR 13 -8.269 -6.523 -1.356 68 HB2 TYR 13 1HB TYR 13 -5.318 -6.748 -1.749 69 HB3 TYR 13 2HB TYR 13 -6.220 -6.077 -0.394 70 HD1 TYR 13 HD2 TYR 13 -8.029 -8.365 0.212 71 HD2 TYR 13 HD1 TYR 13 -3.878 -8.278 -0.716 72 HE1 TYR 13 HE2 TYR 13 -7.711 -10.457 1.465 73 HE2 TYR 13 HE1 TYR 13 -3.549 -10.371 0.533 74 HH TYR 13 HH TYR 13 -6.159 -12.309 1.591 75 H LYS 14 H LYS 14 -8.939 -4.947 -2.646 76 HA LYS 14 HA LYS 14 -7.230 -4.182 -4.923 77 HB2 LYS 14 1HB LYS 14 -9.225 -5.159 -5.824 78 HB3 LYS 14 2HB LYS 14 -10.243 -4.228 -4.733 79 HG2 LYS 14 1HG LYS 14 -9.069 -2.199 -5.966 80 HG3 LYS 14 2HG LYS 14 -8.895 -3.407 -7.241 81 HD2 LYS 14 1HD LYS 14 -11.376 -3.862 -6.945 82 HD3 LYS 14 2HD LYS 14 -11.426 -2.392 -5.968 83 HE2 LYS 14 1HE LYS 14 -10.537 -1.117 -7.867 84 HE3 LYS 14 2HE LYS 14 -10.514 -2.588 -8.838 85 HZ1 LYS 14 3HZ LYS 14 -12.514 -1.760 -9.462 86 HZ2 LYS 14 1HZ LYS 14 -12.781 -0.948 -8.003 87 HZ3 LYS 14 2HZ LYS 14 -13.032 -2.617 -8.099 88 H CYS 15 H CYS 15 -6.666 -2.085 -5.083 89 HA CYS 15 HA CYS 15 -6.869 -0.363 -2.906 90 HB2 CYS 15 1HB CYS 15 -5.345 -0.354 -5.087 91 HB3 CYS 15 2HB CYS 15 -6.550 0.809 -5.629 92 H GLN 16 H GLN 16 -7.701 2.041 -3.386 93 HA GLN 16 HA GLN 16 -10.468 1.852 -4.369 94 HB2 GLN 16 1HB GLN 16 -9.604 3.346 -1.888 95 HB3 GLN 16 2HB GLN 16 -11.244 3.204 -2.508 96 HG2 GLN 16 1HG GLN 16 -9.661 0.784 -1.733 97 HG3 GLN 16 2HG GLN 16 -10.548 1.727 -0.536 98 HE21 GLN 16 1HE2 GLN 16 -10.723 -0.900 -2.455 99 HE22 GLN 16 2HE2 GLN 16 -12.436 -1.035 -2.628 100 H VAL 17 H VAL 17 -7.585 3.750 -3.901 101 HA VAL 17 HA VAL 17 -8.684 6.188 -4.945 102 HB VAL 17 HB VAL 17 -6.330 6.964 -5.009 103 HG11 VAL 17 1HG1 VAL 17 -7.438 7.410 -2.995 104 HG12 VAL 17 2HG1 VAL 17 -7.416 5.714 -2.505 105 HG13 VAL 17 3HG1 VAL 17 -5.922 6.653 -2.504 106 HG21 VAL 17 3HG2 VAL 17 -4.865 5.290 -5.413 107 HG22 VAL 17 1HG2 VAL 17 -4.831 5.190 -3.652 108 HG23 VAL 17 2HG2 VAL 17 -5.846 4.085 -4.579 109 H CYS 18 H CYS 18 -6.655 3.577 -6.214 110 HA CYS 18 HA CYS 18 -6.982 4.716 -8.910 111 HB2 CYS 18 1HB CYS 18 -4.962 3.569 -9.557 112 HB3 CYS 18 2HB CYS 18 -4.636 4.486 -8.089 113 H GLY 19 H GLY 19 -7.437 1.907 -6.899 114 HA2 GLY 19 1HA GLY 19 -9.100 0.279 -7.307 115 HA3 GLY 19 2HA GLY 19 -9.081 0.720 -9.008 116 H LYS 20 H LYS 20 -6.081 0.193 -7.361 117 HA LYS 20 HA LYS 20 -5.304 -1.845 -9.177 118 HB2 LYS 20 1HB LYS 20 -4.103 -0.505 -6.812 119 HB3 LYS 20 2HB LYS 20 -3.443 -2.073 -7.260 120 HG2 LYS 20 1HG LYS 20 -3.762 0.090 -9.302 121 HG3 LYS 20 2HG LYS 20 -2.366 0.056 -8.222 122 HD2 LYS 20 1HD LYS 20 -2.298 -2.477 -9.031 123 HD3 LYS 20 2HD LYS 20 -3.111 -1.780 -10.434 124 HE2 LYS 20 1HE LYS 20 -1.160 0.006 -10.187 125 HE3 LYS 20 2HE LYS 20 -0.350 -1.361 -9.424 126 HZ1 LYS 20 3HZ LYS 20 0.215 -1.798 -11.547 127 HZ2 LYS 20 1HZ LYS 20 -1.105 -0.968 -12.204 128 HZ3 LYS 20 2HZ LYS 20 -1.308 -2.533 -11.598 129 H ALA 21 H ALA 21 -4.231 -3.916 -8.179 130 HA ALA 21 HA ALA 21 -5.760 -5.071 -6.001 131 HB1 ALA 21 3HB ALA 21 -6.839 -6.752 -7.168 132 HB2 ALA 21 1HB ALA 21 -7.014 -5.371 -8.252 133 HB3 ALA 21 2HB ALA 21 -5.785 -6.595 -8.574 134 H PHE 22 H PHE 22 -4.795 -6.895 -5.090 135 HA PHE 22 HA PHE 22 -2.412 -8.014 -6.300 136 HB2 PHE 22 1HB PHE 22 -2.172 -6.801 -3.550 137 HB3 PHE 22 2HB PHE 22 -0.886 -7.422 -4.580 138 HD1 PHE 22 HD2 PHE 22 -3.439 -4.734 -4.365 139 HD2 PHE 22 HD1 PHE 22 0.296 -5.992 -5.974 140 HE1 PHE 22 HE2 PHE 22 -3.061 -2.470 -5.250 141 HE2 PHE 22 HE1 PHE 22 0.680 -3.729 -6.861 142 HZ PHE 22 HZ PHE 22 -1.000 -1.965 -6.500 143 H ARG 23 H ARG 23 -2.499 -10.130 -5.990 144 HA ARG 23 HA ARG 23 -4.387 -11.453 -4.461 145 HB2 ARG 23 1HB ARG 23 -2.552 -13.369 -4.589 146 HB3 ARG 23 2HB ARG 23 -3.462 -12.861 -6.006 147 HG2 ARG 23 1HG ARG 23 -1.666 -11.829 -6.966 148 HG3 ARG 23 2HG ARG 23 -0.894 -11.489 -5.415 149 HD2 ARG 23 1HD ARG 23 -1.153 -14.239 -6.623 150 HD3 ARG 23 2HD ARG 23 0.274 -13.215 -6.780 151 HE ARG 23 HE ARG 23 -0.551 -13.680 -4.061 152 HH11 ARG 23 1HH1 ARG 23 1.357 -14.845 -6.730 153 HH12 ARG 23 2HH1 ARG 23 2.441 -15.752 -5.729 154 HH21 ARG 23 1HH2 ARG 23 0.870 -14.872 -2.732 155 HH22 ARG 23 2HH2 ARG 23 2.162 -15.768 -3.455 156 H VAL 24 H VAL 24 -1.463 -9.967 -3.463 157 HA VAL 24 HA VAL 24 -1.674 -11.261 -0.822 158 HB VAL 24 HB VAL 24 0.633 -10.982 -0.468 159 HG11 VAL 24 1HG1 VAL 24 0.865 -11.573 -3.358 160 HG12 VAL 24 2HG1 VAL 24 1.460 -12.474 -1.962 161 HG13 VAL 24 3HG1 VAL 24 -0.239 -12.581 -2.423 162 HG21 VAL 24 3HG2 VAL 24 1.650 -9.120 -1.129 163 HG22 VAL 24 1HG2 VAL 24 1.663 -9.744 -2.778 164 HG23 VAL 24 2HG2 VAL 24 0.321 -8.744 -2.225 165 H SER 25 H SER 25 -1.050 -9.880 1.024 166 HA SER 25 HA SER 25 -2.374 -7.322 0.821 167 HB2 SER 25 1HB SER 25 -2.924 -8.409 2.811 168 HB3 SER 25 2HB SER 25 -1.272 -8.967 3.078 169 HG SER 25 HG SER 25 -2.047 -7.156 4.420 170 H SER 26 H SER 26 0.851 -8.424 1.866 171 HA SER 26 HA SER 26 2.109 -6.106 2.437 172 HB2 SER 26 1HB SER 26 3.399 -8.073 2.605 173 HB3 SER 26 2HB SER 26 3.115 -8.507 0.919 174 HG SER 26 HG SER 26 4.393 -6.084 1.406 175 H HIS 27 H HIS 27 2.498 -7.451 -0.835 176 HA HIS 27 HA HIS 27 3.498 -5.335 -2.156 177 HB2 HIS 27 1HB HIS 27 1.407 -7.300 -3.078 178 HB3 HIS 27 2HB HIS 27 2.112 -6.108 -4.166 179 HD2 HIS 27 HD2 HIS 27 4.609 -7.703 -1.701 180 HE1 HIS 27 HE1 HIS 27 5.128 -9.595 -5.463 181 HE2 HIS 27 HE2 HIS 27 5.999 -9.368 -3.110 182 H LEU 28 H LEU 28 -0.016 -5.881 -1.850 183 HA LEU 28 HA LEU 28 -0.883 -3.525 -3.011 184 HB2 LEU 28 1HB LEU 28 -2.537 -5.093 -2.585 185 HB3 LEU 28 2HB LEU 28 -2.028 -5.320 -0.913 186 HG LEU 28 HG LEU 28 -2.998 -3.175 -0.303 187 HD11 LEU 28 1HD1 LEU 28 -3.312 -2.929 -3.244 188 HD12 LEU 28 2HD1 LEU 28 -2.889 -1.711 -2.041 189 HD13 LEU 28 3HD1 LEU 28 -4.565 -2.232 -2.216 190 HD21 LEU 28 3HD2 LEU 28 -4.363 -5.301 -0.389 191 HD22 LEU 28 1HD2 LEU 28 -5.027 -4.707 -1.911 192 HD23 LEU 28 2HD2 LEU 28 -5.277 -3.792 -0.424 193 H VAL 29 H VAL 29 0.134 -4.129 0.314 194 HA VAL 29 HA VAL 29 -0.620 -1.649 1.403 195 HB VAL 29 HB VAL 29 1.639 -3.476 2.232 196 HG11 VAL 29 1HG1 VAL 29 1.844 -1.141 3.069 197 HG12 VAL 29 2HG1 VAL 29 0.273 -1.330 3.850 198 HG13 VAL 29 3HG1 VAL 29 1.632 -2.340 4.344 199 HG21 VAL 29 3HG2 VAL 29 -1.254 -3.589 2.545 200 HG22 VAL 29 1HG2 VAL 29 -0.038 -4.842 2.791 201 HG23 VAL 29 2HG2 VAL 29 -0.390 -3.690 4.079 202 H GLN 30 H GLN 30 2.538 -2.747 0.167 203 HA GLN 30 HA GLN 30 3.892 -0.323 0.523 204 HB2 GLN 30 1HB GLN 30 4.382 -2.469 -1.549 205 HB3 GLN 30 2HB GLN 30 5.519 -1.204 -1.103 206 HG2 GLN 30 1HG GLN 30 4.536 -3.466 0.613 207 HG3 GLN 30 2HG GLN 30 6.167 -3.213 -0.006 208 HE21 GLN 30 1HE2 GLN 30 3.737 -2.014 2.218 209 HE22 GLN 30 2HE2 GLN 30 4.832 -1.190 3.269 210 H HIS 31 H HIS 31 1.577 -1.294 -1.829 211 HA HIS 31 HA HIS 31 2.312 0.733 -3.757 212 HB2 HIS 31 1HB HIS 31 1.391 -1.013 -4.916 213 HB3 HIS 31 2HB HIS 31 0.301 -1.450 -3.604 214 HD1 HIS 31 HD1 HIS 31 0.604 0.907 -6.518 215 HD2 HIS 31 HD2 HIS 31 -2.228 -0.329 -3.740 216 HE1 HIS 31 HE1 HIS 31 -1.584 1.852 -7.321 217 H HIS 32 H HIS 32 0.279 0.459 -0.999 218 HA HIS 32 HA HIS 32 -1.614 2.469 -1.642 219 HB2 HIS 32 1HB HIS 32 -0.758 1.063 0.846 220 HB3 HIS 32 2HB HIS 32 -1.689 2.549 1.013 221 HD2 HIS 32 HD2 HIS 32 -2.602 -0.869 1.312 222 HE1 HIS 32 HE1 HIS 32 -5.638 0.593 -1.265 223 HE2 HIS 32 HE2 HIS 32 -4.969 -1.233 0.336 224 H SER 33 H SER 33 1.636 2.729 -1.254 225 HA SER 33 HA SER 33 1.452 5.464 -0.175 226 HB2 SER 33 1HB SER 33 2.904 3.606 0.977 227 HB3 SER 33 2HB SER 33 4.044 3.962 -0.320 228 HG SER 33 HG SER 33 2.972 6.132 1.051 229 H VAL 34 H VAL 34 1.315 4.150 -3.007 230 HA VAL 34 HA VAL 34 3.500 5.514 -4.350 231 HB VAL 34 HB VAL 34 2.846 4.431 -6.324 232 HG11 VAL 34 1HG1 VAL 34 3.763 2.702 -5.156 233 HG12 VAL 34 2HG1 VAL 34 2.562 2.790 -3.865 234 HG13 VAL 34 3HG1 VAL 34 2.147 2.044 -5.409 235 HG21 VAL 34 3HG2 VAL 34 0.668 3.347 -6.640 236 HG22 VAL 34 1HG2 VAL 34 0.171 3.891 -5.038 237 HG23 VAL 34 2HG2 VAL 34 0.496 5.070 -6.309 238 H HIS 35 H HIS 35 0.264 6.141 -3.450 239 HA HIS 35 HA HIS 35 -0.109 8.195 -5.486 240 HB2 HIS 35 1HB HIS 35 -2.012 7.593 -3.233 241 HB3 HIS 35 2HB HIS 35 -2.364 8.305 -4.805 242 HD1 HIS 35 HD1 HIS 35 -1.824 6.505 -6.880 243 HD2 HIS 35 HD2 HIS 35 -2.690 4.985 -3.111 244 HE1 HIS 35 HE1 HIS 35 -2.523 4.120 -7.261 245 H SER 36 H SER 36 -0.327 8.021 -1.927 246 HA SER 36 HA SER 36 -0.483 10.696 -1.353 247 HB2 SER 36 1HB SER 36 0.878 8.453 0.136 248 HB3 SER 36 2HB SER 36 0.776 10.085 0.795 249 HG SER 36 HG SER 36 -1.457 8.548 -0.044 250 H GLY 37 H GLY 37 0.717 12.249 -2.255 251 HA2 GLY 37 1HA GLY 37 3.179 13.027 -1.574 252 HA3 GLY 37 2HA GLY 37 3.543 11.813 -2.791 253 H GLU 38 H GLU 38 2.515 12.120 -4.938 254 HA GLU 38 HA GLU 38 2.299 14.992 -5.561 255 HB2 GLU 38 1HB GLU 38 4.282 13.524 -6.452 256 HB3 GLU 38 2HB GLU 38 3.087 12.958 -7.611 257 HG2 GLU 38 1HG GLU 38 4.219 14.711 -8.673 258 HG3 GLU 38 2HG GLU 38 2.670 15.385 -8.171 259 H ARG 39 H ARG 39 0.796 15.645 -7.143 260 HA ARG 39 HA ARG 39 -1.732 14.758 -7.023 261 HB2 ARG 39 1HB ARG 39 -0.729 16.732 -8.366 262 HB3 ARG 39 2HB ARG 39 -0.653 15.591 -9.701 263 HG2 ARG 39 1HG ARG 39 -3.209 16.030 -8.211 264 HG3 ARG 39 2HG ARG 39 -2.701 17.131 -9.493 265 HD2 ARG 39 1HD ARG 39 -2.360 14.899 -10.833 266 HD3 ARG 39 2HD ARG 39 -3.505 14.265 -9.652 267 HE ARG 39 HE ARG 39 -4.057 16.112 -11.796 268 HH11 ARG 39 1HH1 ARG 39 -5.113 14.847 -8.729 269 HH12 ARG 39 2HH1 ARG 39 -6.773 15.279 -8.974 270 HH21 ARG 39 1HH2 ARG 39 -6.239 16.687 -12.130 271 HH22 ARG 39 2HH2 ARG 39 -7.412 16.325 -10.910 272 HA PRO 40 HA PRO 40 -1.781 10.675 -8.723 273 HB2 PRO 40 1HB PRO 40 -4.477 10.400 -8.884 274 HB3 PRO 40 2HB PRO 40 -3.591 10.305 -7.357 275 HG2 PRO 40 1HG PRO 40 -5.109 12.605 -8.526 276 HG3 PRO 40 2HG PRO 40 -5.083 12.015 -6.854 277 HD2 PRO 40 1HD PRO 40 -3.650 14.165 -7.663 278 HD3 PRO 40 2HD PRO 40 -3.092 13.074 -6.379 279 H SER 41 H SER 41 -1.731 9.855 -10.738 280 HA SER 41 HA SER 41 -2.408 11.588 -12.950 281 HB2 SER 41 1HB SER 41 -1.193 8.816 -12.881 282 HB3 SER 41 2HB SER 41 -1.398 9.786 -14.340 283 HG SER 41 HG SER 41 0.622 10.249 -13.693 284 H GLY 42 H GLY 42 -4.699 11.645 -12.751 285 HA2 GLY 42 1HA GLY 42 -6.444 9.514 -12.610 286 HA3 GLY 42 2HA GLY 42 -6.798 11.018 -13.447 287 HA PRO 43 HA PRO 43 -6.746 9.044 -17.355 288 HB2 PRO 43 1HB PRO 43 -5.285 10.702 -18.932 289 HB3 PRO 43 2HB PRO 43 -6.903 11.109 -18.349 290 HG2 PRO 43 1HG PRO 43 -4.237 11.966 -17.291 291 HG3 PRO 43 2HG PRO 43 -5.707 12.928 -17.531 292 HD2 PRO 43 1HD PRO 43 -4.969 11.973 -15.106 293 HD3 PRO 43 2HD PRO 43 -6.670 12.174 -15.576 294 H SER 44 H SER 44 -5.558 7.157 -16.823 295 HA SER 44 HA SER 44 -2.703 7.094 -16.916 296 HB2 SER 44 1HB SER 44 -4.216 5.487 -15.640 297 HB3 SER 44 2HB SER 44 -4.540 4.713 -17.191 298 HG SER 44 HG SER 44 -2.797 3.747 -16.006 299 H SER 45 H SER 45 -5.253 5.921 -19.104 300 HA SER 45 HA SER 45 -3.345 5.226 -21.148 301 HB2 SER 45 1HB SER 45 -5.607 4.082 -20.692 302 HB3 SER 45 2HB SER 45 -6.325 5.447 -21.547 303 HG SER 45 HG SER 45 -4.255 3.850 -22.639 304 H GLY 46 H GLY 46 -2.279 7.014 -21.876 305 HA2 GLY 46 1HA GLY 46 -3.495 8.618 -23.832 306 HA3 GLY 46 2HA GLY 46 -3.426 9.539 -22.337 Start of MODEL 14 1 H1 GLY 1 H GLY 1 0.266 -10.615 -26.042 2 HA2 GLY 1 1HA GLY 1 2.451 -10.053 -24.782 3 HA3 GLY 1 2HA GLY 1 1.654 -8.508 -24.528 4 H SER 2 H SER 2 1.937 -11.768 -23.506 5 HA SER 2 HA SER 2 0.646 -11.260 -21.040 6 HB2 SER 2 1HB SER 2 -1.302 -12.682 -21.236 7 HB3 SER 2 2HB SER 2 -1.362 -11.471 -22.517 8 HG SER 2 HG SER 2 -0.100 -13.394 -23.624 9 H SER 3 H SER 3 0.770 -13.052 -19.580 10 HA SER 3 HA SER 3 3.092 -14.564 -19.795 11 HB2 SER 3 1HB SER 3 0.653 -14.823 -18.049 12 HB3 SER 3 2HB SER 3 1.984 -15.974 -17.930 13 HG SER 3 HG SER 3 3.365 -14.134 -17.570 14 H GLY 4 H GLY 4 -0.258 -15.793 -19.982 15 HA2 GLY 4 1HA GLY 4 -0.687 -17.182 -22.043 16 HA3 GLY 4 2HA GLY 4 0.784 -18.035 -21.599 17 H SER 5 H SER 5 -2.046 -16.945 -19.730 18 HA SER 5 HA SER 5 -2.596 -19.747 -19.050 19 HB2 SER 5 1HB SER 5 -1.232 -18.497 -17.254 20 HB3 SER 5 2HB SER 5 -2.715 -17.592 -16.948 21 HG SER 5 HG SER 5 -2.628 -19.381 -15.586 22 H SER 6 H SER 6 -4.761 -20.051 -18.093 23 HA SER 6 HA SER 6 -6.661 -18.041 -19.115 24 HB2 SER 6 1HB SER 6 -8.211 -19.845 -19.608 25 HB3 SER 6 2HB SER 6 -6.665 -20.183 -20.386 26 HG SER 6 HG SER 6 -7.937 -21.501 -18.308 27 H GLY 7 H GLY 7 -8.045 -17.179 -17.701 28 HA2 GLY 7 1HA GLY 7 -9.284 -16.859 -15.791 29 HA3 GLY 7 2HA GLY 7 -9.137 -18.584 -15.487 30 H THR 8 H THR 8 -7.477 -15.484 -15.142 31 HA THR 8 HA THR 8 -5.528 -16.574 -13.311 32 HB THR 8 HB THR 8 -4.752 -14.788 -14.690 33 HG1 THR 8 HG1 THR 8 -4.214 -13.209 -13.015 34 HG21 THR 8 3HG2 THR 8 -6.099 -13.159 -15.387 35 HG22 THR 8 1HG2 THR 8 -6.211 -12.534 -13.743 36 HG23 THR 8 2HG2 THR 8 -7.364 -13.744 -14.306 37 H GLY 9 H GLY 9 -8.716 -15.757 -13.014 38 HA2 GLY 9 1HA GLY 9 -10.076 -15.516 -11.176 39 HA3 GLY 9 2HA GLY 9 -8.680 -15.907 -10.182 40 H GLU 10 H GLU 10 -10.614 -14.029 -9.432 41 HA GLU 10 HA GLU 10 -9.351 -11.426 -9.881 42 HB2 GLU 10 1HB GLU 10 -11.980 -12.169 -8.588 43 HB3 GLU 10 2HB GLU 10 -11.375 -10.525 -8.734 44 HG2 GLU 10 1HG GLU 10 -12.962 -10.905 -10.471 45 HG3 GLU 10 2HG GLU 10 -11.358 -10.803 -11.196 46 H LYS 11 H LYS 11 -8.238 -10.368 -8.351 47 HA LYS 11 HA LYS 11 -7.389 -11.737 -6.015 48 HB2 LYS 11 1HB LYS 11 -7.059 -8.854 -6.860 49 HB3 LYS 11 2HB LYS 11 -6.266 -9.568 -5.463 50 HG2 LYS 11 1HG LYS 11 -4.866 -10.871 -6.756 51 HG3 LYS 11 2HG LYS 11 -5.930 -10.801 -8.162 52 HD2 LYS 11 1HD LYS 11 -5.378 -8.429 -8.451 53 HD3 LYS 11 2HD LYS 11 -4.307 -8.510 -7.051 54 HE2 LYS 11 1HE LYS 11 -2.776 -8.828 -8.709 55 HE3 LYS 11 2HE LYS 11 -3.250 -10.503 -8.432 56 HZ1 LYS 11 3HZ LYS 11 -4.970 -10.061 -10.252 57 HZ2 LYS 11 1HZ LYS 11 -3.357 -10.263 -10.721 58 HZ3 LYS 11 2HZ LYS 11 -4.027 -8.712 -10.644 59 HA PRO 12 HA PRO 12 -10.527 -10.624 -3.136 60 HB2 PRO 12 1HB PRO 12 -9.107 -10.853 -0.834 61 HB3 PRO 12 2HB PRO 12 -9.646 -12.250 -1.774 62 HG2 PRO 12 1HG PRO 12 -6.960 -10.929 -1.715 63 HG3 PRO 12 2HG PRO 12 -7.357 -12.657 -1.718 64 HD2 PRO 12 1HD PRO 12 -6.574 -11.337 -3.949 65 HD3 PRO 12 2HD PRO 12 -7.712 -12.699 -3.995 66 H TYR 13 H TYR 13 -7.371 -9.043 -2.887 67 HA TYR 13 HA TYR 13 -8.602 -6.752 -1.543 68 HB2 TYR 13 1HB TYR 13 -5.678 -6.921 -2.164 69 HB3 TYR 13 2HB TYR 13 -6.487 -6.140 -0.809 70 HD1 TYR 13 HD2 TYR 13 -8.224 -8.468 0.036 71 HD2 TYR 13 HD1 TYR 13 -4.106 -8.250 -1.008 72 HE1 TYR 13 HE2 TYR 13 -7.770 -10.433 1.443 73 HE2 TYR 13 HE1 TYR 13 -3.640 -10.216 0.395 74 HH TYR 13 HH TYR 13 -4.572 -11.920 1.544 75 H LYS 14 H LYS 14 -8.432 -4.643 -2.351 76 HA LYS 14 HA LYS 14 -7.257 -4.116 -4.917 77 HB2 LYS 14 1HB LYS 14 -9.254 -5.136 -5.753 78 HB3 LYS 14 2HB LYS 14 -10.258 -4.238 -4.623 79 HG2 LYS 14 1HG LYS 14 -9.189 -2.172 -5.889 80 HG3 LYS 14 2HG LYS 14 -9.025 -3.371 -7.174 81 HD2 LYS 14 1HD LYS 14 -11.529 -3.888 -6.582 82 HD3 LYS 14 2HD LYS 14 -11.490 -2.253 -5.915 83 HE2 LYS 14 1HE LYS 14 -12.224 -1.995 -8.132 84 HE3 LYS 14 2HE LYS 14 -10.523 -1.533 -8.155 85 HZ1 LYS 14 3HZ LYS 14 -9.967 -3.708 -9.019 86 HZ2 LYS 14 1HZ LYS 14 -11.107 -2.963 -10.023 87 HZ3 LYS 14 2HZ LYS 14 -11.589 -4.186 -8.959 88 H CYS 15 H CYS 15 -6.706 -2.022 -5.070 89 HA CYS 15 HA CYS 15 -6.989 -0.290 -2.883 90 HB2 CYS 15 1HB CYS 15 -5.335 -0.324 -4.976 91 HB3 CYS 15 2HB CYS 15 -6.485 0.863 -5.582 92 H GLN 16 H GLN 16 -7.854 2.030 -3.198 93 HA GLN 16 HA GLN 16 -10.517 1.893 -4.450 94 HB2 GLN 16 1HB GLN 16 -9.845 3.409 -1.927 95 HB3 GLN 16 2HB GLN 16 -11.438 3.169 -2.632 96 HG2 GLN 16 1HG GLN 16 -9.806 0.816 -1.792 97 HG3 GLN 16 2HG GLN 16 -10.701 1.752 -0.595 98 HE21 GLN 16 1HE2 GLN 16 -10.990 -0.177 -3.509 99 HE22 GLN 16 2HE2 GLN 16 -12.647 -0.613 -3.283 100 H VAL 17 H VAL 17 -7.703 3.828 -3.694 101 HA VAL 17 HA VAL 17 -8.686 6.282 -4.742 102 HB VAL 17 HB VAL 17 -6.305 6.983 -4.772 103 HG11 VAL 17 1HG1 VAL 17 -7.455 5.698 -2.315 104 HG12 VAL 17 2HG1 VAL 17 -5.929 6.583 -2.273 105 HG13 VAL 17 3HG1 VAL 17 -7.414 7.406 -2.753 106 HG21 VAL 17 3HG2 VAL 17 -4.858 5.308 -5.179 107 HG22 VAL 17 1HG2 VAL 17 -4.915 5.077 -3.431 108 HG23 VAL 17 2HG2 VAL 17 -5.921 4.084 -4.485 109 H CYS 18 H CYS 18 -6.799 3.618 -6.097 110 HA CYS 18 HA CYS 18 -7.101 4.850 -8.758 111 HB2 CYS 18 1HB CYS 18 -5.076 3.683 -9.443 112 HB3 CYS 18 2HB CYS 18 -4.749 4.672 -8.023 113 H GLY 19 H GLY 19 -7.545 2.017 -6.796 114 HA2 GLY 19 1HA GLY 19 -9.179 0.372 -7.238 115 HA3 GLY 19 2HA GLY 19 -9.156 0.837 -8.932 116 H LYS 20 H LYS 20 -6.122 0.375 -7.376 117 HA LYS 20 HA LYS 20 -5.290 -1.606 -9.187 118 HB2 LYS 20 1HB LYS 20 -4.194 -0.396 -6.703 119 HB3 LYS 20 2HB LYS 20 -3.503 -1.929 -7.218 120 HG2 LYS 20 1HG LYS 20 -3.762 0.361 -9.128 121 HG3 LYS 20 2HG LYS 20 -2.401 0.251 -8.010 122 HD2 LYS 20 1HD LYS 20 -2.311 -2.223 -8.987 123 HD3 LYS 20 2HD LYS 20 -3.076 -1.427 -10.365 124 HE2 LYS 20 1HE LYS 20 -1.130 0.330 -9.928 125 HE3 LYS 20 2HE LYS 20 -0.348 -1.092 -9.239 126 HZ1 LYS 20 3HZ LYS 20 0.064 -1.871 -11.258 127 HZ2 LYS 20 1HZ LYS 20 -0.481 -0.404 -11.900 128 HZ3 LYS 20 2HZ LYS 20 -1.550 -1.704 -11.737 129 H ALA 21 H ALA 21 -4.153 -3.678 -8.101 130 HA ALA 21 HA ALA 21 -5.820 -4.964 -6.119 131 HB1 ALA 21 3HB ALA 21 -6.960 -5.215 -8.402 132 HB2 ALA 21 1HB ALA 21 -5.643 -6.324 -8.786 133 HB3 ALA 21 2HB ALA 21 -6.721 -6.669 -7.434 134 H PHE 22 H PHE 22 -4.776 -6.595 -5.068 135 HA PHE 22 HA PHE 22 -2.340 -7.717 -6.203 136 HB2 PHE 22 1HB PHE 22 -2.221 -6.571 -3.425 137 HB3 PHE 22 2HB PHE 22 -0.892 -7.047 -4.478 138 HD1 PHE 22 HD2 PHE 22 -3.759 -4.656 -4.490 139 HD2 PHE 22 HD1 PHE 22 0.330 -5.365 -5.434 140 HE1 PHE 22 HE2 PHE 22 -3.534 -2.327 -5.250 141 HE2 PHE 22 HE1 PHE 22 0.562 -3.037 -6.195 142 HZ PHE 22 HZ PHE 22 -1.372 -1.515 -6.105 143 H ARG 23 H ARG 23 -2.800 -9.819 -6.095 144 HA ARG 23 HA ARG 23 -4.595 -11.136 -4.529 145 HB2 ARG 23 1HB ARG 23 -3.228 -13.181 -4.881 146 HB3 ARG 23 2HB ARG 23 -3.475 -12.249 -6.352 147 HG2 ARG 23 1HG ARG 23 -1.193 -11.202 -5.841 148 HG3 ARG 23 2HG ARG 23 -0.987 -12.544 -4.713 149 HD2 ARG 23 1HD ARG 23 -0.058 -13.454 -6.595 150 HD3 ARG 23 2HD ARG 23 -1.732 -13.969 -6.796 151 HE ARG 23 HE ARG 23 -1.912 -12.581 -8.615 152 HH11 ARG 23 1HH1 ARG 23 0.991 -11.817 -6.853 153 HH12 ARG 23 2HH1 ARG 23 1.608 -10.752 -8.072 154 HH21 ARG 23 1HH2 ARG 23 -1.111 -11.181 -10.229 155 HH22 ARG 23 2HH2 ARG 23 0.411 -10.390 -9.992 156 H VAL 24 H VAL 24 -1.593 -9.792 -3.540 157 HA VAL 24 HA VAL 24 -1.803 -11.156 -0.935 158 HB VAL 24 HB VAL 24 0.525 -10.850 -0.593 159 HG11 VAL 24 1HG1 VAL 24 1.306 -12.390 -2.067 160 HG12 VAL 24 2HG1 VAL 24 -0.410 -12.508 -2.463 161 HG13 VAL 24 3HG1 VAL 24 0.664 -11.536 -3.470 162 HG21 VAL 24 3HG2 VAL 24 0.207 -8.604 -2.239 163 HG22 VAL 24 1HG2 VAL 24 1.672 -9.132 -1.411 164 HG23 VAL 24 2HG2 VAL 24 1.359 -9.651 -3.067 165 H SER 25 H SER 25 -1.040 -9.827 0.935 166 HA SER 25 HA SER 25 -2.341 -7.236 0.831 167 HB2 SER 25 1HB SER 25 -2.833 -8.691 2.724 168 HB3 SER 25 2HB SER 25 -1.122 -8.766 3.143 169 HG SER 25 HG SER 25 -1.191 -6.546 3.592 170 H SER 26 H SER 26 0.812 -8.460 1.965 171 HA SER 26 HA SER 26 2.142 -6.222 2.610 172 HB2 SER 26 1HB SER 26 4.215 -7.265 1.699 173 HB3 SER 26 2HB SER 26 3.235 -8.390 2.639 174 HG SER 26 HG SER 26 4.052 -8.639 0.133 175 H HIS 27 H HIS 27 2.376 -7.450 -0.730 176 HA HIS 27 HA HIS 27 3.518 -5.301 -1.940 177 HB2 HIS 27 1HB HIS 27 1.416 -7.201 -2.965 178 HB3 HIS 27 2HB HIS 27 2.137 -5.970 -3.999 179 HD2 HIS 27 HD2 HIS 27 4.572 -7.727 -1.568 180 HE1 HIS 27 HE1 HIS 27 5.165 -9.386 -5.427 181 HE2 HIS 27 HE2 HIS 27 5.979 -9.318 -3.044 182 H LEU 28 H LEU 28 -0.013 -5.797 -1.760 183 HA LEU 28 HA LEU 28 -0.908 -3.477 -2.859 184 HB2 LEU 28 1HB LEU 28 -2.524 -5.031 -2.206 185 HB3 LEU 28 2HB LEU 28 -1.935 -5.081 -0.546 186 HG LEU 28 HG LEU 28 -2.892 -2.914 -0.091 187 HD11 LEU 28 1HD1 LEU 28 -2.711 -1.626 -1.990 188 HD12 LEU 28 2HD1 LEU 28 -4.435 -1.996 -1.979 189 HD13 LEU 28 3HD1 LEU 28 -3.348 -2.891 -3.041 190 HD21 LEU 28 3HD2 LEU 28 -5.340 -3.661 -1.123 191 HD22 LEU 28 1HD2 LEU 28 -4.660 -4.172 0.422 192 HD23 LEU 28 2HD2 LEU 28 -4.458 -5.184 -1.008 193 H VAL 29 H VAL 29 0.251 -3.919 0.456 194 HA VAL 29 HA VAL 29 -0.348 -1.355 1.421 195 HB VAL 29 HB VAL 29 1.914 -3.185 2.236 196 HG11 VAL 29 1HG1 VAL 29 2.377 -0.977 3.030 197 HG12 VAL 29 2HG1 VAL 29 0.716 -0.775 3.592 198 HG13 VAL 29 3HG1 VAL 29 1.784 -1.931 4.389 199 HG21 VAL 29 3HG2 VAL 29 -0.931 -2.918 3.179 200 HG22 VAL 29 1HG2 VAL 29 -0.127 -4.348 2.532 201 HG23 VAL 29 2HG2 VAL 29 0.320 -3.727 4.121 202 H GLN 30 H GLN 30 2.759 -2.614 0.196 203 HA GLN 30 HA GLN 30 4.221 -0.273 0.312 204 HB2 GLN 30 1HB GLN 30 4.399 -2.465 -1.762 205 HB3 GLN 30 2HB GLN 30 5.634 -1.249 -1.467 206 HG2 GLN 30 1HG GLN 30 4.741 -3.450 0.370 207 HG3 GLN 30 2HG GLN 30 6.322 -3.234 -0.380 208 HE21 GLN 30 1HE2 GLN 30 4.096 -1.947 2.007 209 HE22 GLN 30 2HE2 GLN 30 5.291 -1.147 2.965 210 H HIS 31 H HIS 31 1.713 -1.178 -1.894 211 HA HIS 31 HA HIS 31 2.371 0.841 -3.852 212 HB2 HIS 31 1HB HIS 31 1.312 -0.872 -4.942 213 HB3 HIS 31 2HB HIS 31 0.296 -1.268 -3.559 214 HD1 HIS 31 HD1 HIS 31 0.539 1.275 -6.352 215 HD2 HIS 31 HD2 HIS 31 -2.240 -0.252 -3.667 216 HE1 HIS 31 HE1 HIS 31 -1.672 2.252 -7.045 217 H HIS 32 H HIS 32 0.403 0.566 -1.014 218 HA HIS 32 HA HIS 32 -1.397 2.682 -1.521 219 HB2 HIS 32 1HB HIS 32 -0.483 1.214 0.916 220 HB3 HIS 32 2HB HIS 32 -1.385 2.713 1.123 221 HD2 HIS 32 HD2 HIS 32 -2.311 -0.727 1.368 222 HE1 HIS 32 HE1 HIS 32 -5.457 0.860 -0.995 223 HE2 HIS 32 HE2 HIS 32 -4.728 -1.031 0.500 224 H SER 33 H SER 33 1.890 2.769 -1.200 225 HA SER 33 HA SER 33 1.872 5.487 -0.065 226 HB2 SER 33 1HB SER 33 3.271 3.851 1.156 227 HB3 SER 33 2HB SER 33 4.198 3.562 -0.316 228 HG SER 33 HG SER 33 3.959 6.043 1.046 229 H VAL 34 H VAL 34 1.582 4.211 -2.937 230 HA VAL 34 HA VAL 34 3.715 5.585 -4.345 231 HB VAL 34 HB VAL 34 2.936 4.573 -6.319 232 HG11 VAL 34 1HG1 VAL 34 3.872 2.761 -5.358 233 HG12 VAL 34 2HG1 VAL 34 2.905 2.908 -3.889 234 HG13 VAL 34 3HG1 VAL 34 2.211 2.171 -5.333 235 HG21 VAL 34 3HG2 VAL 34 0.327 4.197 -4.865 236 HG22 VAL 34 1HG2 VAL 34 0.638 5.146 -6.320 237 HG23 VAL 34 2HG2 VAL 34 0.707 3.385 -6.384 238 H HIS 35 H HIS 35 0.353 6.055 -3.558 239 HA HIS 35 HA HIS 35 -0.057 8.183 -5.447 240 HB2 HIS 35 1HB HIS 35 -1.759 7.608 -3.026 241 HB3 HIS 35 2HB HIS 35 -2.242 8.372 -4.538 242 HD1 HIS 35 HD1 HIS 35 -1.687 6.524 -6.683 243 HD2 HIS 35 HD2 HIS 35 -2.748 5.109 -2.923 244 HE1 HIS 35 HE1 HIS 35 -2.545 4.190 -7.060 245 H SER 36 H SER 36 0.056 8.071 -1.882 246 HA SER 36 HA SER 36 0.186 10.888 -1.588 247 HB2 SER 36 1HB SER 36 0.724 10.411 0.767 248 HB3 SER 36 2HB SER 36 -0.626 9.423 0.210 249 HG SER 36 HG SER 36 0.780 8.094 1.305 250 H GLY 37 H GLY 37 1.889 11.341 -3.159 251 HA2 GLY 37 1HA GLY 37 4.302 12.051 -2.014 252 HA3 GLY 37 2HA GLY 37 4.565 10.465 -2.724 253 H GLU 38 H GLU 38 5.532 10.612 -4.627 254 HA GLU 38 HA GLU 38 5.696 12.962 -6.154 255 HB2 GLU 38 1HB GLU 38 7.390 11.264 -6.360 256 HB3 GLU 38 2HB GLU 38 6.206 10.080 -6.898 257 HG2 GLU 38 1HG GLU 38 7.374 10.759 -8.819 258 HG3 GLU 38 2HG GLU 38 5.804 11.557 -8.895 259 H ARG 39 H ARG 39 4.291 13.887 -7.482 260 HA ARG 39 HA ARG 39 1.709 13.049 -7.923 261 HB2 ARG 39 1HB ARG 39 2.693 15.337 -8.371 262 HB3 ARG 39 2HB ARG 39 3.289 14.696 -9.897 263 HG2 ARG 39 1HG ARG 39 0.923 14.119 -10.476 264 HG3 ARG 39 2HG ARG 39 0.426 15.004 -9.033 265 HD2 ARG 39 1HD ARG 39 1.296 17.045 -9.885 266 HD3 ARG 39 2HD ARG 39 2.116 16.216 -11.207 267 HE ARG 39 HE ARG 39 0.166 16.278 -12.392 268 HH11 ARG 39 1HH1 ARG 39 -0.550 16.799 -9.025 269 HH12 ARG 39 2HH1 ARG 39 -2.223 17.154 -9.302 270 HH21 ARG 39 1HH2 ARG 39 -2.034 16.744 -12.769 271 HH22 ARG 39 2HH2 ARG 39 -3.066 17.122 -11.431 272 HA PRO 40 HA PRO 40 2.016 9.725 -10.805 273 HB2 PRO 40 1HB PRO 40 -0.551 9.738 -11.689 274 HB3 PRO 40 2HB PRO 40 -0.086 9.127 -10.096 275 HG2 PRO 40 1HG PRO 40 -1.237 11.788 -10.843 276 HG3 PRO 40 2HG PRO 40 -1.645 10.736 -9.474 277 HD2 PRO 40 1HD PRO 40 -0.036 12.899 -9.221 278 HD3 PRO 40 2HD PRO 40 0.166 11.438 -8.233 279 H SER 41 H SER 41 1.696 9.255 -13.103 280 HA SER 41 HA SER 41 2.665 11.293 -14.764 281 HB2 SER 41 1HB SER 41 2.680 8.686 -15.048 282 HB3 SER 41 2HB SER 41 1.161 8.960 -15.900 283 HG SER 41 HG SER 41 3.739 9.522 -16.667 284 H GLY 42 H GLY 42 1.422 11.624 -17.010 285 HA2 GLY 42 1HA GLY 42 -1.226 11.780 -17.407 286 HA3 GLY 42 2HA GLY 42 -0.968 13.102 -16.279 287 HA PRO 43 HA PRO 43 1.371 14.127 -20.418 288 HB2 PRO 43 1HB PRO 43 0.473 12.769 -22.591 289 HB3 PRO 43 2HB PRO 43 1.819 12.205 -21.595 290 HG2 PRO 43 1HG PRO 43 -1.052 11.357 -21.557 291 HG3 PRO 43 2HG PRO 43 0.411 10.359 -21.458 292 HD2 PRO 43 1HD PRO 43 -1.050 11.023 -19.277 293 HD3 PRO 43 2HD PRO 43 0.710 10.797 -19.215 294 H SER 44 H SER 44 0.587 15.209 -22.494 295 HA SER 44 HA SER 44 -1.451 16.970 -21.988 296 HB2 SER 44 1HB SER 44 0.147 17.343 -23.783 297 HB3 SER 44 2HB SER 44 -0.499 15.970 -24.683 298 HG SER 44 HG SER 44 -1.991 18.279 -23.975 299 H SER 45 H SER 45 -3.622 17.122 -22.457 300 HA SER 45 HA SER 45 -5.098 14.697 -22.456 301 HB2 SER 45 1HB SER 45 -5.816 17.606 -22.598 302 HB3 SER 45 2HB SER 45 -7.053 16.385 -22.893 303 HG SER 45 HG SER 45 -6.645 17.191 -20.627 304 H GLY 46 H GLY 46 -6.387 13.773 -24.042 305 HA2 GLY 46 1HA GLY 46 -5.435 14.048 -26.720 306 HA3 GLY 46 2HA GLY 46 -6.755 13.019 -26.187 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -10.400 4.090 -23.509 2 HA2 GLY 1 1HA GLY 1 -9.779 2.515 -21.236 3 HA3 GLY 1 2HA GLY 1 -11.355 3.264 -21.030 4 H SER 2 H SER 2 -9.764 0.582 -22.165 5 HA SER 2 HA SER 2 -12.021 -0.135 -23.921 6 HB2 SER 2 1HB SER 2 -9.202 -1.232 -24.041 7 HB3 SER 2 2HB SER 2 -10.520 -1.595 -25.155 8 HG SER 2 HG SER 2 -9.570 -0.007 -26.210 9 H SER 3 H SER 3 -12.085 -2.683 -24.108 10 HA SER 3 HA SER 3 -13.210 -3.762 -21.922 11 HB2 SER 3 1HB SER 3 -12.926 -5.900 -22.869 12 HB3 SER 3 2HB SER 3 -12.859 -4.809 -24.253 13 HG SER 3 HG SER 3 -11.169 -6.440 -24.162 14 H GLY 4 H GLY 4 -12.647 -4.515 -19.964 15 HA2 GLY 4 1HA GLY 4 -9.894 -4.157 -19.117 16 HA3 GLY 4 2HA GLY 4 -11.266 -4.529 -18.084 17 H SER 5 H SER 5 -9.862 -6.070 -17.039 18 HA SER 5 HA SER 5 -9.717 -8.602 -18.535 19 HB2 SER 5 1HB SER 5 -7.616 -9.140 -17.418 20 HB3 SER 5 2HB SER 5 -7.458 -7.608 -18.277 21 HG SER 5 HG SER 5 -6.986 -6.725 -16.443 22 H SER 6 H SER 6 -9.903 -10.522 -17.262 23 HA SER 6 HA SER 6 -10.639 -10.317 -14.480 24 HB2 SER 6 1HB SER 6 -12.684 -10.935 -16.607 25 HB3 SER 6 2HB SER 6 -12.877 -11.488 -14.944 26 HG SER 6 HG SER 6 -12.291 -8.790 -15.416 27 H GLY 7 H GLY 7 -9.903 -12.069 -13.474 28 HA2 GLY 7 1HA GLY 7 -9.520 -14.521 -15.079 29 HA3 GLY 7 2HA GLY 7 -8.421 -14.012 -13.805 30 H THR 8 H THR 8 -9.595 -16.553 -13.902 31 HA THR 8 HA THR 8 -11.916 -16.750 -12.290 32 HB THR 8 HB THR 8 -11.394 -18.630 -13.644 33 HG1 THR 8 HG1 THR 8 -11.964 -18.907 -11.214 34 HG21 THR 8 3HG2 THR 8 -9.130 -19.850 -12.620 35 HG22 THR 8 1HG2 THR 8 -8.688 -18.144 -12.696 36 HG23 THR 8 2HG2 THR 8 -9.242 -18.978 -14.148 37 H GLY 9 H GLY 9 -8.878 -15.706 -11.493 38 HA2 GLY 9 1HA GLY 9 -9.229 -16.552 -8.682 39 HA3 GLY 9 2HA GLY 9 -7.649 -16.378 -9.432 40 H GLU 10 H GLU 10 -10.359 -14.178 -9.882 41 HA GLU 10 HA GLU 10 -9.129 -11.814 -9.733 42 HB2 GLU 10 1HB GLU 10 -11.192 -10.859 -8.692 43 HB3 GLU 10 2HB GLU 10 -11.499 -11.901 -10.074 44 HG2 GLU 10 1HG GLU 10 -12.378 -13.597 -8.768 45 HG3 GLU 10 2HG GLU 10 -11.599 -13.006 -7.301 46 H LYS 11 H LYS 11 -8.015 -10.605 -8.329 47 HA LYS 11 HA LYS 11 -7.177 -11.682 -5.849 48 HB2 LYS 11 1HB LYS 11 -6.927 -8.823 -6.798 49 HB3 LYS 11 2HB LYS 11 -5.959 -9.607 -5.556 50 HG2 LYS 11 1HG LYS 11 -4.824 -10.933 -7.119 51 HG3 LYS 11 2HG LYS 11 -6.008 -10.601 -8.385 52 HD2 LYS 11 1HD LYS 11 -5.294 -8.229 -8.370 53 HD3 LYS 11 2HD LYS 11 -4.050 -8.641 -7.187 54 HE2 LYS 11 1HE LYS 11 -2.853 -8.748 -9.146 55 HE3 LYS 11 2HE LYS 11 -3.365 -10.426 -8.970 56 HZ1 LYS 11 3HZ LYS 11 -3.962 -10.055 -11.116 57 HZ2 LYS 11 1HZ LYS 11 -4.252 -8.404 -10.887 58 HZ3 LYS 11 2HZ LYS 11 -5.390 -9.542 -10.368 59 HA PRO 12 HA PRO 12 -10.482 -10.360 -3.235 60 HB2 PRO 12 1HB PRO 12 -9.212 -10.653 -0.854 61 HB3 PRO 12 2HB PRO 12 -9.801 -12.023 -1.803 62 HG2 PRO 12 1HG PRO 12 -7.031 -10.902 -1.611 63 HG3 PRO 12 2HG PRO 12 -7.555 -12.596 -1.614 64 HD2 PRO 12 1HD PRO 12 -6.555 -11.377 -3.815 65 HD3 PRO 12 2HD PRO 12 -7.786 -12.652 -3.906 66 H TYR 13 H TYR 13 -7.235 -9.011 -2.832 67 HA TYR 13 HA TYR 13 -8.306 -6.655 -1.495 68 HB2 TYR 13 1HB TYR 13 -5.428 -7.059 -2.274 69 HB3 TYR 13 2HB TYR 13 -6.085 -6.090 -0.960 70 HD1 TYR 13 HD2 TYR 13 -8.053 -8.405 -0.116 71 HD2 TYR 13 HD1 TYR 13 -3.858 -8.181 -0.790 72 HE1 TYR 13 HE2 TYR 13 -7.709 -10.279 1.440 73 HE2 TYR 13 HE1 TYR 13 -3.503 -10.055 0.763 74 HH TYR 13 HH TYR 13 -6.221 -11.550 2.492 75 H LYS 14 H LYS 14 -8.331 -4.613 -2.343 76 HA LYS 14 HA LYS 14 -7.164 -4.041 -4.919 77 HB2 LYS 14 1HB LYS 14 -9.031 -4.830 -5.977 78 HB3 LYS 14 2HB LYS 14 -10.068 -4.561 -4.582 79 HG2 LYS 14 1HG LYS 14 -10.042 -2.146 -5.059 80 HG3 LYS 14 2HG LYS 14 -9.068 -2.462 -6.496 81 HD2 LYS 14 1HD LYS 14 -11.614 -3.962 -6.181 82 HD3 LYS 14 2HD LYS 14 -11.710 -2.252 -6.608 83 HE2 LYS 14 1HE LYS 14 -10.416 -2.592 -8.577 84 HE3 LYS 14 2HE LYS 14 -9.998 -4.235 -8.093 85 HZ1 LYS 14 3HZ LYS 14 -12.825 -3.524 -8.450 86 HZ2 LYS 14 1HZ LYS 14 -12.062 -5.021 -8.644 87 HZ3 LYS 14 2HZ LYS 14 -11.875 -3.818 -9.818 88 H CYS 15 H CYS 15 -6.691 -1.922 -5.121 89 HA CYS 15 HA CYS 15 -6.943 -0.211 -2.892 90 HB2 CYS 15 1HB CYS 15 -5.283 -0.234 -4.980 91 HB3 CYS 15 2HB CYS 15 -6.436 0.950 -5.588 92 H GLN 16 H GLN 16 -7.824 2.097 -3.179 93 HA GLN 16 HA GLN 16 -10.489 1.950 -4.427 94 HB2 GLN 16 1HB GLN 16 -9.805 3.517 -1.940 95 HB3 GLN 16 2HB GLN 16 -11.402 3.231 -2.617 96 HG2 GLN 16 1HG GLN 16 -9.594 1.132 -1.440 97 HG3 GLN 16 2HG GLN 16 -10.988 1.861 -0.644 98 HE21 GLN 16 1HE2 GLN 16 -10.049 -0.855 -2.027 99 HE22 GLN 16 2HE2 GLN 16 -11.526 -1.398 -2.741 100 H VAL 17 H VAL 17 -7.681 3.914 -3.703 101 HA VAL 17 HA VAL 17 -8.678 6.344 -4.788 102 HB VAL 17 HB VAL 17 -6.309 7.065 -4.828 103 HG11 VAL 17 1HG1 VAL 17 -5.908 6.686 -2.334 104 HG12 VAL 17 2HG1 VAL 17 -7.415 7.477 -2.801 105 HG13 VAL 17 3HG1 VAL 17 -7.415 5.770 -2.354 106 HG21 VAL 17 3HG2 VAL 17 -5.891 4.168 -4.496 107 HG22 VAL 17 1HG2 VAL 17 -4.870 5.384 -5.263 108 HG23 VAL 17 2HG2 VAL 17 -4.863 5.206 -3.508 109 H CYS 18 H CYS 18 -6.759 3.683 -6.108 110 HA CYS 18 HA CYS 18 -7.062 4.880 -8.784 111 HB2 CYS 18 1HB CYS 18 -5.053 3.685 -9.454 112 HB3 CYS 18 2HB CYS 18 -4.714 4.665 -8.031 113 H GLY 19 H GLY 19 -7.546 2.067 -6.799 114 HA2 GLY 19 1HA GLY 19 -9.191 0.433 -7.218 115 HA3 GLY 19 2HA GLY 19 -9.193 0.902 -8.912 116 H LYS 20 H LYS 20 -6.149 0.386 -7.376 117 HA LYS 20 HA LYS 20 -5.368 -1.597 -9.216 118 HB2 LYS 20 1HB LYS 20 -4.211 -0.412 -6.743 119 HB3 LYS 20 2HB LYS 20 -3.538 -1.938 -7.302 120 HG2 LYS 20 1HG LYS 20 -3.840 0.377 -9.173 121 HG3 LYS 20 2HG LYS 20 -2.457 0.262 -8.082 122 HD2 LYS 20 1HD LYS 20 -3.209 -2.060 -9.815 123 HD3 LYS 20 2HD LYS 20 -2.279 -0.716 -10.484 124 HE2 LYS 20 1HE LYS 20 -0.684 -1.040 -8.541 125 HE3 LYS 20 2HE LYS 20 -1.532 -2.551 -8.218 126 HZ1 LYS 20 3HZ LYS 20 0.453 -1.996 -10.168 127 HZ2 LYS 20 1HZ LYS 20 -0.950 -2.584 -10.909 128 HZ3 LYS 20 2HZ LYS 20 -0.192 -3.486 -9.695 129 H ALA 21 H ALA 21 -4.266 -3.697 -8.209 130 HA ALA 21 HA ALA 21 -5.928 -4.958 -6.191 131 HB1 ALA 21 3HB ALA 21 -5.727 -6.283 -8.880 132 HB2 ALA 21 1HB ALA 21 -6.765 -6.710 -7.519 133 HB3 ALA 21 2HB ALA 21 -7.077 -5.237 -8.439 134 H PHE 22 H PHE 22 -4.865 -6.524 -5.083 135 HA PHE 22 HA PHE 22 -2.426 -7.674 -6.194 136 HB2 PHE 22 1HB PHE 22 -2.343 -6.486 -3.431 137 HB3 PHE 22 2HB PHE 22 -1.000 -6.986 -4.454 138 HD1 PHE 22 HD2 PHE 22 -3.740 -4.486 -4.231 139 HD2 PHE 22 HD1 PHE 22 0.125 -5.425 -5.746 140 HE1 PHE 22 HE2 PHE 22 -3.495 -2.172 -5.031 141 HE2 PHE 22 HE1 PHE 22 0.377 -3.113 -6.547 142 HZ PHE 22 HZ PHE 22 -1.435 -1.483 -6.191 143 H ARG 23 H ARG 23 -2.783 -9.784 -6.025 144 HA ARG 23 HA ARG 23 -4.623 -11.075 -4.444 145 HB2 ARG 23 1HB ARG 23 -3.127 -13.115 -4.741 146 HB3 ARG 23 2HB ARG 23 -3.652 -12.303 -6.210 147 HG2 ARG 23 1HG ARG 23 -1.559 -11.566 -6.719 148 HG3 ARG 23 2HG ARG 23 -1.057 -11.486 -5.029 149 HD2 ARG 23 1HD ARG 23 -1.367 -14.112 -5.203 150 HD3 ARG 23 2HD ARG 23 -1.068 -13.787 -6.910 151 HE ARG 23 HE ARG 23 0.841 -13.707 -4.785 152 HH11 ARG 23 1HH1 ARG 23 0.021 -12.373 -7.894 153 HH12 ARG 23 2HH1 ARG 23 1.656 -11.963 -8.295 154 HH21 ARG 23 1HH2 ARG 23 2.998 -13.173 -5.301 155 HH22 ARG 23 2HH2 ARG 23 3.349 -12.420 -6.820 156 H VAL 24 H VAL 24 -1.586 -9.754 -3.522 157 HA VAL 24 HA VAL 24 -1.755 -11.103 -0.907 158 HB VAL 24 HB VAL 24 0.570 -10.842 -0.617 159 HG11 VAL 24 1HG1 VAL 24 1.356 -11.562 -3.118 160 HG12 VAL 24 2HG1 VAL 24 0.634 -12.658 -1.938 161 HG13 VAL 24 3HG1 VAL 24 -0.371 -11.912 -3.181 162 HG21 VAL 24 3HG2 VAL 24 0.660 -9.133 -3.100 163 HG22 VAL 24 1HG2 VAL 24 0.671 -8.508 -1.450 164 HG23 VAL 24 2HG2 VAL 24 2.004 -9.511 -2.022 165 H SER 25 H SER 25 -1.386 -9.862 0.988 166 HA SER 25 HA SER 25 -2.523 -7.231 0.855 167 HB2 SER 25 1HB SER 25 -3.136 -8.572 2.737 168 HB3 SER 25 2HB SER 25 -1.450 -8.891 3.141 169 HG SER 25 HG SER 25 -2.608 -6.303 3.161 170 H SER 26 H SER 26 0.671 -8.585 1.496 171 HA SER 26 HA SER 26 2.006 -6.336 2.391 172 HB2 SER 26 1HB SER 26 3.201 -8.360 0.491 173 HB3 SER 26 2HB SER 26 4.040 -7.407 1.715 174 HG SER 26 HG SER 26 2.428 -9.670 2.006 175 H HIS 27 H HIS 27 2.249 -7.504 -0.967 176 HA HIS 27 HA HIS 27 3.391 -5.359 -2.155 177 HB2 HIS 27 1HB HIS 27 1.263 -7.230 -3.161 178 HB3 HIS 27 2HB HIS 27 1.900 -5.951 -4.192 179 HD2 HIS 27 HD2 HIS 27 4.451 -7.788 -1.923 180 HE1 HIS 27 HE1 HIS 27 4.967 -9.191 -5.893 181 HE2 HIS 27 HE2 HIS 27 5.842 -9.259 -3.532 182 H LEU 28 H LEU 28 -0.136 -5.762 -1.804 183 HA LEU 28 HA LEU 28 -0.980 -3.380 -2.877 184 HB2 LEU 28 1HB LEU 28 -2.656 -4.876 -2.295 185 HB3 LEU 28 2HB LEU 28 -2.036 -5.084 -0.658 186 HG LEU 28 HG LEU 28 -2.881 -2.900 -0.029 187 HD11 LEU 28 1HD1 LEU 28 -3.378 -2.677 -2.949 188 HD12 LEU 28 2HD1 LEU 28 -2.797 -1.470 -1.803 189 HD13 LEU 28 3HD1 LEU 28 -4.509 -1.892 -1.846 190 HD21 LEU 28 3HD2 LEU 28 -5.167 -4.169 -1.468 191 HD22 LEU 28 1HD2 LEU 28 -5.096 -3.497 0.161 192 HD23 LEU 28 2HD2 LEU 28 -4.343 -5.054 -0.184 193 H VAL 29 H VAL 29 0.240 -3.983 0.382 194 HA VAL 29 HA VAL 29 -0.313 -1.464 1.485 195 HB VAL 29 HB VAL 29 1.956 -3.346 2.152 196 HG11 VAL 29 1HG1 VAL 29 1.779 -2.183 4.402 197 HG12 VAL 29 2HG1 VAL 29 2.512 -1.256 3.092 198 HG13 VAL 29 3HG1 VAL 29 0.844 -0.940 3.572 199 HG21 VAL 29 3HG2 VAL 29 0.380 -4.680 2.976 200 HG22 VAL 29 1HG2 VAL 29 -0.045 -3.405 4.119 201 HG23 VAL 29 2HG2 VAL 29 -0.880 -3.514 2.569 202 H GLN 30 H GLN 30 2.738 -2.688 0.099 203 HA GLN 30 HA GLN 30 4.201 -0.335 0.285 204 HB2 GLN 30 1HB GLN 30 4.384 -2.497 -1.819 205 HB3 GLN 30 2HB GLN 30 5.609 -1.270 -1.524 206 HG2 GLN 30 1HG GLN 30 4.777 -3.532 0.261 207 HG3 GLN 30 2HG GLN 30 6.360 -3.219 -0.450 208 HE21 GLN 30 1HE2 GLN 30 4.034 -2.117 1.933 209 HE22 GLN 30 2HE2 GLN 30 5.171 -1.293 2.939 210 H HIS 31 H HIS 31 1.722 -1.255 -1.962 211 HA HIS 31 HA HIS 31 2.341 0.804 -3.880 212 HB2 HIS 31 1HB HIS 31 1.282 -0.906 -4.977 213 HB3 HIS 31 2HB HIS 31 0.268 -1.310 -3.594 214 HD1 HIS 31 HD1 HIS 31 0.484 1.137 -6.455 215 HD2 HIS 31 HD2 HIS 31 -2.239 -0.174 -3.604 216 HE1 HIS 31 HE1 HIS 31 -1.721 2.152 -7.114 217 H HIS 32 H HIS 32 0.391 0.488 -1.034 218 HA HIS 32 HA HIS 32 -1.421 2.600 -1.499 219 HB2 HIS 32 1HB HIS 32 -0.456 1.148 0.934 220 HB3 HIS 32 2HB HIS 32 -1.414 2.613 1.130 221 HD2 HIS 32 HD2 HIS 32 -2.227 -0.840 1.427 222 HE1 HIS 32 HE1 HIS 32 -5.396 0.581 -1.009 223 HE2 HIS 32 HE2 HIS 32 -4.621 -1.250 0.538 224 H SER 33 H SER 33 1.873 2.698 -1.196 225 HA SER 33 HA SER 33 1.845 5.415 -0.060 226 HB2 SER 33 1HB SER 33 4.099 3.403 -0.239 227 HB3 SER 33 2HB SER 33 4.283 5.055 0.349 228 HG SER 33 HG SER 33 3.081 4.580 2.104 229 H VAL 34 H VAL 34 1.516 4.190 -2.923 230 HA VAL 34 HA VAL 34 3.656 5.590 -4.320 231 HB VAL 34 HB VAL 34 2.970 4.515 -6.286 232 HG11 VAL 34 1HG1 VAL 34 3.980 2.845 -5.046 233 HG12 VAL 34 2HG1 VAL 34 2.667 2.781 -3.869 234 HG13 VAL 34 3HG1 VAL 34 2.440 2.103 -5.482 235 HG21 VAL 34 3HG2 VAL 34 0.329 4.632 -5.046 236 HG22 VAL 34 1HG2 VAL 34 0.785 4.650 -6.750 237 HG23 VAL 34 2HG2 VAL 34 0.644 3.116 -5.890 238 H HIS 35 H HIS 35 0.494 6.180 -3.239 239 HA HIS 35 HA HIS 35 -0.026 8.228 -5.257 240 HB2 HIS 35 1HB HIS 35 -1.801 7.520 -2.925 241 HB3 HIS 35 2HB HIS 35 -2.250 8.318 -4.429 242 HD1 HIS 35 HD1 HIS 35 -1.639 6.594 -6.622 243 HD2 HIS 35 HD2 HIS 35 -2.619 4.957 -2.931 244 HE1 HIS 35 HE1 HIS 35 -2.380 4.240 -7.106 245 H SER 36 H SER 36 0.267 7.930 -1.726 246 HA SER 36 HA SER 36 0.429 9.568 -0.109 247 HB2 SER 36 1HB SER 36 2.591 10.588 -1.957 248 HB3 SER 36 2HB SER 36 2.550 10.666 -0.196 249 HG SER 36 HG SER 36 3.770 8.878 -1.481 250 H GLY 37 H GLY 37 -1.649 10.257 -1.784 251 HA2 GLY 37 1HA GLY 37 -2.908 12.299 -1.616 252 HA3 GLY 37 2HA GLY 37 -1.403 13.192 -1.778 253 H GLU 38 H GLU 38 -1.838 14.419 -3.538 254 HA GLU 38 HA GLU 38 -2.596 14.941 -5.664 255 HB2 GLU 38 1HB GLU 38 -1.125 13.960 -7.356 256 HB3 GLU 38 2HB GLU 38 -0.222 14.415 -5.919 257 HG2 GLU 38 1HG GLU 38 0.020 12.178 -5.235 258 HG3 GLU 38 2HG GLU 38 -1.198 11.616 -6.378 259 H ARG 39 H ARG 39 -4.342 13.044 -4.389 260 HA ARG 39 HA ARG 39 -5.013 11.066 -6.395 261 HB2 ARG 39 1HB ARG 39 -6.916 10.562 -4.817 262 HB3 ARG 39 2HB ARG 39 -5.305 10.358 -4.143 263 HG2 ARG 39 1HG ARG 39 -5.473 12.360 -2.893 264 HG3 ARG 39 2HG ARG 39 -6.932 12.853 -3.754 265 HD2 ARG 39 1HD ARG 39 -6.929 10.271 -2.263 266 HD3 ARG 39 2HD ARG 39 -7.071 11.779 -1.361 267 HE ARG 39 HE ARG 39 -9.044 10.604 -3.122 268 HH11 ARG 39 1HH1 ARG 39 -7.977 13.447 -1.420 269 HH12 ARG 39 2HH1 ARG 39 -9.539 14.197 -1.428 270 HH21 ARG 39 1HH2 ARG 39 -11.105 11.581 -3.140 271 HH22 ARG 39 2HH2 ARG 39 -11.317 13.135 -2.406 272 HA PRO 40 HA PRO 40 -7.863 13.550 -8.648 273 HB2 PRO 40 1HB PRO 40 -9.407 11.583 -9.705 274 HB3 PRO 40 2HB PRO 40 -7.767 11.924 -10.269 275 HG2 PRO 40 1HG PRO 40 -8.719 9.803 -8.382 276 HG3 PRO 40 2HG PRO 40 -7.543 9.679 -9.704 277 HD2 PRO 40 1HD PRO 40 -6.801 9.903 -7.109 278 HD3 PRO 40 2HD PRO 40 -5.838 10.579 -8.439 279 H SER 41 H SER 41 -10.016 14.280 -8.634 280 HA SER 41 HA SER 41 -11.594 13.344 -6.329 281 HB2 SER 41 1HB SER 41 -11.649 16.075 -7.636 282 HB3 SER 41 2HB SER 41 -12.531 15.590 -6.188 283 HG SER 41 HG SER 41 -9.898 16.315 -6.488 284 H GLY 42 H GLY 42 -11.678 12.161 -8.969 285 HA2 GLY 42 1HA GLY 42 -13.214 11.444 -10.517 286 HA3 GLY 42 2HA GLY 42 -14.422 11.853 -9.308 287 HA PRO 43 HA PRO 43 -13.903 15.849 -11.968 288 HB2 PRO 43 1HB PRO 43 -12.260 15.695 -14.124 289 HB3 PRO 43 2HB PRO 43 -11.699 16.186 -12.521 290 HG2 PRO 43 1HG PRO 43 -11.492 13.520 -13.867 291 HG3 PRO 43 2HG PRO 43 -10.274 14.391 -12.918 292 HD2 PRO 43 1HD PRO 43 -11.745 12.365 -11.889 293 HD3 PRO 43 2HD PRO 43 -11.187 13.735 -10.907 294 H SER 44 H SER 44 -14.462 12.707 -12.952 295 HA SER 44 HA SER 44 -15.162 12.570 -15.525 296 HB2 SER 44 1HB SER 44 -15.689 10.702 -14.171 297 HB3 SER 44 2HB SER 44 -16.740 11.656 -13.124 298 HG SER 44 HG SER 44 -17.343 11.417 -15.856 299 H SER 45 H SER 45 -17.213 14.108 -13.056 300 HA SER 45 HA SER 45 -19.073 15.081 -15.025 301 HB2 SER 45 1HB SER 45 -20.108 16.254 -13.071 302 HB3 SER 45 2HB SER 45 -19.927 14.516 -12.835 303 HG SER 45 HG SER 45 -19.102 15.304 -11.011 304 H GLY 46 H GLY 46 -16.805 16.650 -12.759 305 HA2 GLY 46 1HA GLY 46 -17.031 19.260 -13.322 306 HA3 GLY 46 2HA GLY 46 -15.456 18.504 -13.138 Start of MODEL 16 1 H1 GLY 1 H GLY 1 6.018 -6.616 -30.752 2 HA2 GLY 1 1HA GLY 1 3.502 -6.326 -30.950 3 HA3 GLY 1 2HA GLY 1 3.609 -7.627 -32.127 4 H SER 2 H SER 2 3.105 -6.866 -28.903 5 HA SER 2 HA SER 2 3.111 -9.695 -28.196 6 HB2 SER 2 1HB SER 2 4.770 -7.585 -26.853 7 HB3 SER 2 2HB SER 2 4.150 -8.945 -25.917 8 HG SER 2 HG SER 2 6.272 -8.884 -27.501 9 H SER 3 H SER 3 1.452 -10.255 -26.895 10 HA SER 3 HA SER 3 0.025 -8.185 -25.407 11 HB2 SER 3 1HB SER 3 -1.290 -9.991 -27.451 12 HB3 SER 3 2HB SER 3 -2.160 -8.970 -26.307 13 HG SER 3 HG SER 3 -1.949 -7.468 -27.750 14 H GLY 4 H GLY 4 -1.909 -9.329 -24.204 15 HA2 GLY 4 1HA GLY 4 -1.644 -12.076 -23.547 16 HA3 GLY 4 2HA GLY 4 -0.826 -11.088 -22.346 17 H SER 5 H SER 5 -3.027 -12.753 -21.786 18 HA SER 5 HA SER 5 -5.276 -10.907 -21.455 19 HB2 SER 5 1HB SER 5 -6.581 -12.889 -20.849 20 HB3 SER 5 2HB SER 5 -5.758 -13.143 -22.388 21 HG SER 5 HG SER 5 -4.770 -14.032 -19.881 22 H SER 6 H SER 6 -5.303 -9.744 -19.659 23 HA SER 6 HA SER 6 -3.937 -10.708 -17.270 24 HB2 SER 6 1HB SER 6 -5.209 -8.035 -17.907 25 HB3 SER 6 2HB SER 6 -4.377 -8.413 -16.399 26 HG SER 6 HG SER 6 -2.586 -7.981 -17.384 27 H GLY 7 H GLY 7 -4.931 -11.377 -15.454 28 HA2 GLY 7 1HA GLY 7 -7.092 -10.823 -14.119 29 HA3 GLY 7 2HA GLY 7 -7.864 -11.531 -15.530 30 H THR 8 H THR 8 -7.547 -13.767 -15.971 31 HA THR 8 HA THR 8 -7.756 -15.924 -15.197 32 HB THR 8 HB THR 8 -5.369 -15.730 -15.851 33 HG1 THR 8 HG1 THR 8 -4.757 -17.628 -14.747 34 HG21 THR 8 3HG2 THR 8 -4.347 -14.220 -14.431 35 HG22 THR 8 1HG2 THR 8 -3.791 -15.755 -13.765 36 HG23 THR 8 2HG2 THR 8 -5.119 -14.888 -12.993 37 H GLY 9 H GLY 9 -8.964 -14.154 -13.390 38 HA2 GLY 9 1HA GLY 9 -9.908 -15.210 -11.315 39 HA3 GLY 9 2HA GLY 9 -8.237 -15.353 -10.788 40 H GLU 10 H GLU 10 -10.672 -13.868 -9.749 41 HA GLU 10 HA GLU 10 -9.774 -11.101 -9.889 42 HB2 GLU 10 1HB GLU 10 -12.171 -12.401 -8.592 43 HB3 GLU 10 2HB GLU 10 -11.810 -10.686 -8.460 44 HG2 GLU 10 1HG GLU 10 -11.942 -10.493 -10.909 45 HG3 GLU 10 2HG GLU 10 -12.378 -12.198 -10.999 46 H LYS 11 H LYS 11 -8.614 -10.112 -8.364 47 HA LYS 11 HA LYS 11 -7.622 -11.630 -6.132 48 HB2 LYS 11 1HB LYS 11 -7.147 -8.810 -7.090 49 HB3 LYS 11 2HB LYS 11 -6.420 -9.443 -5.619 50 HG2 LYS 11 1HG LYS 11 -4.987 -10.807 -6.744 51 HG3 LYS 11 2HG LYS 11 -6.077 -11.005 -8.118 52 HD2 LYS 11 1HD LYS 11 -5.612 -8.526 -8.592 53 HD3 LYS 11 2HD LYS 11 -4.254 -8.705 -7.479 54 HE2 LYS 11 1HE LYS 11 -4.559 -10.710 -9.652 55 HE3 LYS 11 2HE LYS 11 -3.995 -9.098 -10.087 56 HZ1 LYS 11 3HZ LYS 11 -2.441 -11.125 -9.166 57 HZ2 LYS 11 1HZ LYS 11 -2.657 -10.167 -7.788 58 HZ3 LYS 11 2HZ LYS 11 -2.008 -9.490 -9.195 59 HA PRO 12 HA PRO 12 -10.527 -10.349 -3.085 60 HB2 PRO 12 1HB PRO 12 -8.993 -10.631 -0.863 61 HB3 PRO 12 2HB PRO 12 -9.647 -12.007 -1.760 62 HG2 PRO 12 1HG PRO 12 -6.904 -10.811 -1.860 63 HG3 PRO 12 2HG PRO 12 -7.380 -12.519 -1.828 64 HD2 PRO 12 1HD PRO 12 -6.662 -11.249 -4.109 65 HD3 PRO 12 2HD PRO 12 -7.862 -12.557 -4.081 66 H TYR 13 H TYR 13 -7.261 -8.966 -2.855 67 HA TYR 13 HA TYR 13 -8.336 -6.591 -1.540 68 HB2 TYR 13 1HB TYR 13 -5.445 -6.880 -2.239 69 HB3 TYR 13 2HB TYR 13 -6.187 -6.115 -0.838 70 HD1 TYR 13 HD2 TYR 13 -8.011 -8.506 -0.154 71 HD2 TYR 13 HD1 TYR 13 -3.859 -8.199 -1.029 72 HE1 TYR 13 HE2 TYR 13 -7.587 -10.529 1.179 73 HE2 TYR 13 HE1 TYR 13 -3.423 -10.222 0.300 74 HH TYR 13 HH TYR 13 -4.615 -12.192 1.098 75 H LYS 14 H LYS 14 -8.540 -4.649 -2.495 76 HA LYS 14 HA LYS 14 -7.229 -4.096 -5.027 77 HB2 LYS 14 1HB LYS 14 -9.233 -5.160 -5.821 78 HB3 LYS 14 2HB LYS 14 -10.232 -4.211 -4.728 79 HG2 LYS 14 1HG LYS 14 -9.173 -2.197 -6.058 80 HG3 LYS 14 2HG LYS 14 -8.960 -3.436 -7.297 81 HD2 LYS 14 1HD LYS 14 -11.484 -3.956 -6.692 82 HD3 LYS 14 2HD LYS 14 -11.456 -2.268 -6.177 83 HE2 LYS 14 1HE LYS 14 -12.179 -2.350 -8.460 84 HE3 LYS 14 2HE LYS 14 -10.555 -1.666 -8.416 85 HZ1 LYS 14 3HZ LYS 14 -10.266 -4.411 -8.692 86 HZ2 LYS 14 1HZ LYS 14 -9.945 -3.219 -9.849 87 HZ3 LYS 14 2HZ LYS 14 -11.468 -3.951 -9.790 88 H CYS 15 H CYS 15 -6.557 -2.054 -5.054 89 HA CYS 15 HA CYS 15 -6.892 -0.284 -2.946 90 HB2 CYS 15 1HB CYS 15 -5.261 -0.328 -5.064 91 HB3 CYS 15 2HB CYS 15 -6.415 0.866 -5.648 92 H GLN 16 H GLN 16 -7.798 1.998 -3.199 93 HA GLN 16 HA GLN 16 -10.468 1.847 -4.437 94 HB2 GLN 16 1HB GLN 16 -9.753 3.415 -1.958 95 HB3 GLN 16 2HB GLN 16 -11.358 3.153 -2.626 96 HG2 GLN 16 1HG GLN 16 -9.653 0.871 -1.700 97 HG3 GLN 16 2HG GLN 16 -10.667 1.786 -0.586 98 HE21 GLN 16 1HE2 GLN 16 -10.537 -0.766 -2.755 99 HE22 GLN 16 2HE2 GLN 16 -12.230 -1.089 -2.876 100 H VAL 17 H VAL 17 -7.658 3.822 -3.752 101 HA VAL 17 HA VAL 17 -8.672 6.243 -4.841 102 HB VAL 17 HB VAL 17 -6.290 6.955 -4.923 103 HG11 VAL 17 1HG1 VAL 17 -7.427 7.413 -2.911 104 HG12 VAL 17 2HG1 VAL 17 -7.375 5.724 -2.404 105 HG13 VAL 17 3HG1 VAL 17 -5.895 6.684 -2.431 106 HG21 VAL 17 3HG2 VAL 17 -4.861 5.252 -5.306 107 HG22 VAL 17 1HG2 VAL 17 -4.865 5.119 -3.548 108 HG23 VAL 17 2HG2 VAL 17 -5.897 4.064 -4.513 109 H CYS 18 H CYS 18 -6.714 3.603 -6.159 110 HA CYS 18 HA CYS 18 -7.055 4.777 -8.840 111 HB2 CYS 18 1HB CYS 18 -5.054 3.555 -9.515 112 HB3 CYS 18 2HB CYS 18 -4.704 4.577 -8.124 113 H GLY 19 H GLY 19 -7.423 1.917 -6.865 114 HA2 GLY 19 1HA GLY 19 -9.115 0.304 -7.264 115 HA3 GLY 19 2HA GLY 19 -9.109 0.756 -8.962 116 H LYS 20 H LYS 20 -6.069 0.266 -7.414 117 HA LYS 20 HA LYS 20 -5.285 -1.743 -9.228 118 HB2 LYS 20 1HB LYS 20 -4.123 -0.495 -6.793 119 HB3 LYS 20 2HB LYS 20 -3.451 -2.039 -7.301 120 HG2 LYS 20 1HG LYS 20 -3.761 0.153 -9.298 121 HG3 LYS 20 2HG LYS 20 -2.418 0.193 -8.154 122 HD2 LYS 20 1HD LYS 20 -2.165 -2.327 -8.958 123 HD3 LYS 20 2HD LYS 20 -2.959 -1.680 -10.396 124 HE2 LYS 20 1HE LYS 20 -1.132 0.220 -10.076 125 HE3 LYS 20 2HE LYS 20 -0.273 -1.093 -9.271 126 HZ1 LYS 20 3HZ LYS 20 -0.625 -2.437 -11.297 127 HZ2 LYS 20 1HZ LYS 20 0.330 -1.067 -11.567 128 HZ3 LYS 20 2HZ LYS 20 -1.288 -1.081 -12.060 129 H ALA 21 H ALA 21 -4.156 -3.812 -8.167 130 HA ALA 21 HA ALA 21 -5.822 -5.047 -6.134 131 HB1 ALA 21 3HB ALA 21 -6.987 -5.410 -8.328 132 HB2 ALA 21 1HB ALA 21 -5.592 -6.366 -8.831 133 HB3 ALA 21 2HB ALA 21 -6.565 -6.881 -7.452 134 H PHE 22 H PHE 22 -4.776 -6.623 -5.008 135 HA PHE 22 HA PHE 22 -2.315 -7.767 -6.058 136 HB2 PHE 22 1HB PHE 22 -2.221 -6.510 -3.331 137 HB3 PHE 22 2HB PHE 22 -0.885 -6.994 -4.371 138 HD1 PHE 22 HD2 PHE 22 -3.778 -4.638 -4.384 139 HD2 PHE 22 HD1 PHE 22 0.281 -5.343 -5.452 140 HE1 PHE 22 HE2 PHE 22 -3.601 -2.331 -5.220 141 HE2 PHE 22 HE1 PHE 22 0.465 -3.037 -6.289 142 HZ PHE 22 HZ PHE 22 -1.478 -1.528 -6.175 143 H ARG 23 H ARG 23 -2.811 -9.860 -5.876 144 HA ARG 23 HA ARG 23 -4.594 -11.079 -4.194 145 HB2 ARG 23 1HB ARG 23 -2.957 -13.119 -4.450 146 HB3 ARG 23 2HB ARG 23 -3.826 -12.490 -5.844 147 HG2 ARG 23 1HG ARG 23 -1.947 -11.629 -6.805 148 HG3 ARG 23 2HG ARG 23 -1.140 -11.373 -5.257 149 HD2 ARG 23 1HD ARG 23 0.066 -13.151 -6.034 150 HD3 ARG 23 2HD ARG 23 -1.215 -14.008 -5.177 151 HE ARG 23 HE ARG 23 -2.148 -13.707 -7.735 152 HH11 ARG 23 1HH1 ARG 23 0.665 -15.132 -6.260 153 HH12 ARG 23 2HH1 ARG 23 0.859 -16.338 -7.488 154 HH21 ARG 23 1HH2 ARG 23 -1.903 -15.291 -9.359 155 HH22 ARG 23 2HH2 ARG 23 -0.601 -16.427 -9.251 156 H VAL 24 H VAL 24 -1.543 -9.754 -3.386 157 HA VAL 24 HA VAL 24 -1.601 -11.093 -0.762 158 HB VAL 24 HB VAL 24 0.736 -10.737 -0.544 159 HG11 VAL 24 1HG1 VAL 24 1.498 -11.610 -2.958 160 HG12 VAL 24 2HG1 VAL 24 0.683 -12.637 -1.777 161 HG13 VAL 24 3HG1 VAL 24 -0.238 -11.893 -3.085 162 HG21 VAL 24 3HG2 VAL 24 0.728 -9.190 -3.130 163 HG22 VAL 24 1HG2 VAL 24 0.696 -8.438 -1.534 164 HG23 VAL 24 2HG2 VAL 24 2.077 -9.422 -2.018 165 H SER 25 H SER 25 -1.139 -9.830 1.114 166 HA SER 25 HA SER 25 -2.323 -7.206 0.994 167 HB2 SER 25 1HB SER 25 -2.920 -8.580 2.871 168 HB3 SER 25 2HB SER 25 -1.226 -8.849 3.284 169 HG SER 25 HG SER 25 -2.208 -6.225 3.193 170 H SER 26 H SER 26 0.866 -8.566 1.677 171 HA SER 26 HA SER 26 2.198 -6.303 2.539 172 HB2 SER 26 1HB SER 26 3.363 -8.420 0.717 173 HB3 SER 26 2HB SER 26 4.246 -7.384 1.839 174 HG SER 26 HG SER 26 3.235 -8.438 3.549 175 H HIS 27 H HIS 27 2.197 -7.525 -0.815 176 HA HIS 27 HA HIS 27 3.455 -5.426 -2.049 177 HB2 HIS 27 1HB HIS 27 1.182 -7.130 -3.079 178 HB3 HIS 27 2HB HIS 27 2.131 -6.047 -4.093 179 HD2 HIS 27 HD2 HIS 27 4.463 -7.758 -1.671 180 HE1 HIS 27 HE1 HIS 27 4.447 -10.154 -5.172 181 HE2 HIS 27 HE2 HIS 27 5.528 -9.749 -2.934 182 H LEU 28 H LEU 28 -0.086 -5.779 -1.766 183 HA LEU 28 HA LEU 28 -0.911 -3.417 -2.838 184 HB2 LEU 28 1HB LEU 28 -2.555 -4.943 -2.142 185 HB3 LEU 28 2HB LEU 28 -1.954 -4.961 -0.486 186 HG LEU 28 HG LEU 28 -2.845 -2.753 -0.091 187 HD11 LEU 28 1HD1 LEU 28 -2.566 -1.623 -2.128 188 HD12 LEU 28 2HD1 LEU 28 -4.312 -1.744 -1.908 189 HD13 LEU 28 3HD1 LEU 28 -3.487 -2.832 -3.023 190 HD21 LEU 28 3HD2 LEU 28 -5.295 -3.599 -1.221 191 HD22 LEU 28 1HD2 LEU 28 -4.739 -3.774 0.444 192 HD23 LEU 28 2HD2 LEU 28 -4.410 -5.045 -0.734 193 H VAL 29 H VAL 29 0.363 -3.928 0.417 194 HA VAL 29 HA VAL 29 -0.135 -1.373 1.453 195 HB VAL 29 HB VAL 29 2.167 -3.213 2.120 196 HG11 VAL 29 1HG1 VAL 29 1.074 -0.739 3.389 197 HG12 VAL 29 2HG1 VAL 29 1.812 -1.989 4.393 198 HG13 VAL 29 3HG1 VAL 29 2.750 -1.214 3.116 199 HG21 VAL 29 3HG2 VAL 29 -0.653 -3.474 2.551 200 HG22 VAL 29 1HG2 VAL 29 0.648 -4.580 2.991 201 HG23 VAL 29 2HG2 VAL 29 0.169 -3.295 4.100 202 H GLN 30 H GLN 30 2.895 -2.656 0.070 203 HA GLN 30 HA GLN 30 4.382 -0.326 0.136 204 HB2 GLN 30 1HB GLN 30 4.455 -2.517 -1.946 205 HB3 GLN 30 2HB GLN 30 5.709 -1.308 -1.707 206 HG2 GLN 30 1HG GLN 30 4.911 -3.553 0.109 207 HG3 GLN 30 2HG GLN 30 6.481 -3.235 -0.628 208 HE21 GLN 30 1HE2 GLN 30 4.210 -2.204 1.827 209 HE22 GLN 30 2HE2 GLN 30 5.355 -1.354 2.802 210 H HIS 31 H HIS 31 1.809 -1.236 -2.009 211 HA HIS 31 HA HIS 31 2.392 0.854 -3.926 212 HB2 HIS 31 1HB HIS 31 1.417 -0.882 -5.063 213 HB3 HIS 31 2HB HIS 31 0.404 -1.349 -3.700 214 HD1 HIS 31 HD1 HIS 31 0.542 1.093 -6.559 215 HD2 HIS 31 HD2 HIS 31 -2.132 -0.249 -3.677 216 HE1 HIS 31 HE1 HIS 31 -1.689 2.048 -7.217 217 H HIS 32 H HIS 32 0.515 0.440 -1.064 218 HA HIS 32 HA HIS 32 -1.421 2.454 -1.504 219 HB2 HIS 32 1HB HIS 32 -0.410 0.940 0.848 220 HB3 HIS 32 2HB HIS 32 -1.283 2.436 1.166 221 HD2 HIS 32 HD2 HIS 32 -2.225 -1.017 1.270 222 HE1 HIS 32 HE1 HIS 32 -5.483 0.732 -0.810 223 HE2 HIS 32 HE2 HIS 32 -4.691 -1.252 0.525 224 H SER 33 H SER 33 1.854 2.730 -1.283 225 HA SER 33 HA SER 33 1.722 5.409 -0.069 226 HB2 SER 33 1HB SER 33 4.048 3.500 -0.380 227 HB3 SER 33 2HB SER 33 4.213 5.162 0.186 228 HG SER 33 HG SER 33 2.317 3.585 1.465 229 H VAL 34 H VAL 34 1.453 4.142 -2.975 230 HA VAL 34 HA VAL 34 3.430 5.671 -4.426 231 HB VAL 34 HB VAL 34 2.609 4.686 -6.388 232 HG11 VAL 34 1HG1 VAL 34 1.856 2.268 -5.233 233 HG12 VAL 34 2HG1 VAL 34 3.487 2.764 -5.690 234 HG13 VAL 34 3HG1 VAL 34 2.912 3.029 -4.044 235 HG21 VAL 34 3HG2 VAL 34 0.066 4.092 -4.880 236 HG22 VAL 34 1HG2 VAL 34 0.277 5.264 -6.180 237 HG23 VAL 34 2HG2 VAL 34 0.417 3.539 -6.517 238 H HIS 35 H HIS 35 0.274 6.177 -3.208 239 HA HIS 35 HA HIS 35 -0.230 8.403 -5.043 240 HB2 HIS 35 1HB HIS 35 -2.103 7.527 -2.863 241 HB3 HIS 35 2HB HIS 35 -2.478 8.331 -4.385 242 HD1 HIS 35 HD1 HIS 35 -1.845 6.693 -6.572 243 HD2 HIS 35 HD2 HIS 35 -2.697 4.899 -2.924 244 HE1 HIS 35 HE1 HIS 35 -2.455 4.316 -7.119 245 H SER 36 H SER 36 1.881 8.564 -3.076 246 HA SER 36 HA SER 36 1.157 11.083 -1.894 247 HB2 SER 36 1HB SER 36 0.292 9.802 -0.103 248 HB3 SER 36 2HB SER 36 1.628 8.653 -0.172 249 HG SER 36 HG SER 36 1.625 10.369 1.538 250 H GLY 37 H GLY 37 2.863 12.354 -2.160 251 HA2 GLY 37 1HA GLY 37 5.279 12.511 -1.325 252 HA3 GLY 37 2HA GLY 37 5.523 11.097 -2.339 253 H GLU 38 H GLU 38 7.136 13.073 -2.920 254 HA GLU 38 HA GLU 38 5.925 14.453 -5.225 255 HB2 GLU 38 1HB GLU 38 6.754 15.964 -3.448 256 HB3 GLU 38 2HB GLU 38 8.360 15.273 -3.632 257 HG2 GLU 38 1HG GLU 38 8.482 17.225 -4.859 258 HG3 GLU 38 2HG GLU 38 8.164 16.002 -6.088 259 H ARG 39 H ARG 39 6.324 13.094 -6.892 260 HA ARG 39 HA ARG 39 9.147 12.520 -7.473 261 HB2 ARG 39 1HB ARG 39 6.824 10.604 -7.707 262 HB3 ARG 39 2HB ARG 39 8.398 10.323 -8.440 263 HG2 ARG 39 1HG ARG 39 9.440 10.016 -6.394 264 HG3 ARG 39 2HG ARG 39 8.168 10.858 -5.509 265 HD2 ARG 39 1HD ARG 39 6.628 9.018 -5.963 266 HD3 ARG 39 2HD ARG 39 7.888 8.181 -6.870 267 HE ARG 39 HE ARG 39 9.012 8.567 -4.435 268 HH11 ARG 39 1HH1 ARG 39 6.010 7.169 -5.508 269 HH12 ARG 39 2HH1 ARG 39 5.908 6.051 -4.187 270 HH21 ARG 39 1HH2 ARG 39 8.889 7.101 -2.692 271 HH22 ARG 39 2HH2 ARG 39 7.545 6.015 -2.586 272 HA PRO 40 HA PRO 40 8.234 14.315 -11.389 273 HB2 PRO 40 1HB PRO 40 10.283 13.260 -12.825 274 HB3 PRO 40 2HB PRO 40 10.506 14.552 -11.639 275 HG2 PRO 40 1HG PRO 40 10.977 11.610 -11.347 276 HG3 PRO 40 2HG PRO 40 11.978 12.963 -10.791 277 HD2 PRO 40 1HD PRO 40 10.322 11.600 -9.138 278 HD3 PRO 40 2HD PRO 40 10.671 13.328 -8.927 279 H SER 41 H SER 41 6.647 13.714 -12.710 280 HA SER 41 HA SER 41 6.048 10.959 -13.217 281 HB2 SER 41 1HB SER 41 4.854 13.423 -14.509 282 HB3 SER 41 2HB SER 41 4.161 11.801 -14.502 283 HG SER 41 HG SER 41 3.162 12.718 -12.833 284 H GLY 42 H GLY 42 6.650 13.644 -15.496 285 HA2 GLY 42 1HA GLY 42 8.323 13.540 -17.210 286 HA3 GLY 42 2HA GLY 42 8.236 11.786 -17.137 287 HA PRO 43 HA PRO 43 5.786 12.093 -20.799 288 HB2 PRO 43 1HB PRO 43 4.987 9.500 -20.899 289 HB3 PRO 43 2HB PRO 43 6.619 10.020 -21.336 290 HG2 PRO 43 1HG PRO 43 5.636 8.817 -18.777 291 HG3 PRO 43 2HG PRO 43 7.119 8.463 -19.682 292 HD2 PRO 43 1HD PRO 43 7.094 10.055 -17.492 293 HD3 PRO 43 2HD PRO 43 8.222 10.303 -18.841 294 H SER 44 H SER 44 3.619 12.151 -21.417 295 HA SER 44 HA SER 44 1.684 11.806 -19.221 296 HB2 SER 44 1HB SER 44 1.742 13.833 -21.462 297 HB3 SER 44 2HB SER 44 0.335 13.571 -20.432 298 HG SER 44 HG SER 44 2.904 14.494 -19.683 299 H SER 45 H SER 45 0.953 9.771 -19.666 300 HA SER 45 HA SER 45 0.563 8.452 -21.984 301 HB2 SER 45 1HB SER 45 -0.026 7.723 -19.584 302 HB3 SER 45 2HB SER 45 -1.614 8.423 -19.899 303 HG SER 45 HG SER 45 -1.567 7.022 -21.849 304 H GLY 46 H GLY 46 -0.318 9.045 -23.846 305 HA2 GLY 46 1HA GLY 46 -2.188 9.508 -25.216 306 HA3 GLY 46 2HA GLY 46 -2.990 10.237 -23.833 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -4.556 -9.279 -28.252 2 HA2 GLY 1 1HA GLY 1 -5.725 -11.036 -30.031 3 HA3 GLY 1 2HA GLY 1 -4.751 -12.034 -28.963 4 H SER 2 H SER 2 -7.426 -9.750 -29.094 5 HA SER 2 HA SER 2 -8.240 -9.557 -26.516 6 HB2 SER 2 1HB SER 2 -9.742 -9.761 -29.089 7 HB3 SER 2 2HB SER 2 -10.657 -9.820 -27.583 8 HG SER 2 HG SER 2 -9.477 -7.837 -27.026 9 H SER 3 H SER 3 -8.954 -12.278 -28.687 10 HA SER 3 HA SER 3 -10.360 -13.775 -26.714 11 HB2 SER 3 1HB SER 3 -10.742 -14.126 -29.115 12 HB3 SER 3 2HB SER 3 -9.083 -14.697 -29.301 13 HG SER 3 HG SER 3 -10.861 -15.918 -27.482 14 H GLY 4 H GLY 4 -9.632 -15.151 -25.208 15 HA2 GLY 4 1HA GLY 4 -7.792 -16.959 -24.973 16 HA3 GLY 4 2HA GLY 4 -6.725 -15.565 -25.059 17 H SER 5 H SER 5 -7.784 -13.709 -23.501 18 HA SER 5 HA SER 5 -7.231 -14.621 -20.892 19 HB2 SER 5 1HB SER 5 -8.463 -12.060 -21.917 20 HB3 SER 5 2HB SER 5 -8.113 -12.338 -20.211 21 HG SER 5 HG SER 5 -6.451 -11.257 -21.603 22 H SER 6 H SER 6 -8.485 -15.887 -19.706 23 HA SER 6 HA SER 6 -11.405 -15.502 -19.843 24 HB2 SER 6 1HB SER 6 -9.766 -18.011 -19.548 25 HB3 SER 6 2HB SER 6 -11.450 -17.954 -19.028 26 HG SER 6 HG SER 6 -10.675 -17.131 -21.615 27 H GLY 7 H GLY 7 -9.905 -13.935 -18.136 28 HA2 GLY 7 1HA GLY 7 -10.164 -13.198 -15.954 29 HA3 GLY 7 2HA GLY 7 -11.064 -14.665 -15.600 30 H THR 8 H THR 8 -7.873 -13.238 -15.832 31 HA THR 8 HA THR 8 -6.296 -15.445 -15.223 32 HB THR 8 HB THR 8 -5.234 -13.405 -15.896 33 HG1 THR 8 HG1 THR 8 -3.571 -13.664 -14.576 34 HG21 THR 8 3HG2 THR 8 -6.552 -11.643 -15.171 35 HG22 THR 8 1HG2 THR 8 -5.157 -11.516 -14.101 36 HG23 THR 8 2HG2 THR 8 -6.649 -12.257 -13.521 37 H GLY 9 H GLY 9 -8.535 -13.753 -13.254 38 HA2 GLY 9 1HA GLY 9 -9.117 -15.184 -11.241 39 HA3 GLY 9 2HA GLY 9 -7.415 -15.017 -10.832 40 H GLU 10 H GLU 10 -10.226 -14.039 -9.792 41 HA GLU 10 HA GLU 10 -9.822 -11.184 -9.659 42 HB2 GLU 10 1HB GLU 10 -11.849 -11.181 -8.273 43 HB3 GLU 10 2HB GLU 10 -12.089 -12.076 -9.767 44 HG2 GLU 10 1HG GLU 10 -11.549 -14.160 -8.399 45 HG3 GLU 10 2HG GLU 10 -11.779 -13.136 -6.983 46 H LYS 11 H LYS 11 -8.741 -10.108 -8.144 47 HA LYS 11 HA LYS 11 -7.499 -11.575 -5.977 48 HB2 LYS 11 1HB LYS 11 -7.253 -8.730 -6.949 49 HB3 LYS 11 2HB LYS 11 -6.424 -9.320 -5.515 50 HG2 LYS 11 1HG LYS 11 -4.947 -10.570 -6.709 51 HG3 LYS 11 2HG LYS 11 -6.081 -10.849 -8.032 52 HD2 LYS 11 1HD LYS 11 -5.819 -8.400 -8.602 53 HD3 LYS 11 2HD LYS 11 -4.477 -8.366 -7.455 54 HE2 LYS 11 1HE LYS 11 -4.482 -10.488 -9.535 55 HE3 LYS 11 2HE LYS 11 -4.114 -8.840 -10.041 56 HZ1 LYS 11 3HZ LYS 11 -2.718 -10.232 -7.824 57 HZ2 LYS 11 1HZ LYS 11 -2.299 -8.751 -8.527 58 HZ3 LYS 11 2HZ LYS 11 -2.143 -10.183 -9.414 59 HA PRO 12 HA PRO 12 -10.451 -10.489 -2.892 60 HB2 PRO 12 1HB PRO 12 -8.888 -10.807 -0.695 61 HB3 PRO 12 2HB PRO 12 -9.519 -12.168 -1.630 62 HG2 PRO 12 1HG PRO 12 -6.806 -10.907 -1.717 63 HG3 PRO 12 2HG PRO 12 -7.242 -12.626 -1.735 64 HD2 PRO 12 1HD PRO 12 -6.577 -11.268 -3.982 65 HD3 PRO 12 2HD PRO 12 -7.747 -12.603 -3.984 66 H TYR 13 H TYR 13 -7.292 -8.933 -2.959 67 HA TYR 13 HA TYR 13 -8.403 -6.640 -1.492 68 HB2 TYR 13 1HB TYR 13 -5.489 -6.889 -2.114 69 HB3 TYR 13 2HB TYR 13 -6.277 -6.128 -0.736 70 HD1 TYR 13 HD2 TYR 13 -8.077 -8.465 0.007 71 HD2 TYR 13 HD1 TYR 13 -3.938 -8.258 -0.959 72 HE1 TYR 13 HE2 TYR 13 -7.667 -10.480 1.357 73 HE2 TYR 13 HE1 TYR 13 -3.517 -10.273 0.387 74 HH TYR 13 HH TYR 13 -5.922 -12.328 1.420 75 H LYS 14 H LYS 14 -8.555 -4.669 -2.416 76 HA LYS 14 HA LYS 14 -7.212 -4.099 -4.926 77 HB2 LYS 14 1HB LYS 14 -9.198 -5.155 -5.767 78 HB3 LYS 14 2HB LYS 14 -10.219 -4.224 -4.679 79 HG2 LYS 14 1HG LYS 14 -9.112 -2.197 -5.978 80 HG3 LYS 14 2HG LYS 14 -8.937 -3.430 -7.229 81 HD2 LYS 14 1HD LYS 14 -11.457 -3.910 -6.649 82 HD3 LYS 14 2HD LYS 14 -11.409 -2.250 -6.049 83 HE2 LYS 14 1HE LYS 14 -12.063 -1.958 -8.247 84 HE3 LYS 14 2HE LYS 14 -10.318 -1.725 -8.344 85 HZ1 LYS 14 3HZ LYS 14 -10.060 -3.959 -9.138 86 HZ2 LYS 14 1HZ LYS 14 -11.202 -3.171 -10.106 87 HZ3 LYS 14 2HZ LYS 14 -11.708 -4.281 -8.935 88 H CYS 15 H CYS 15 -6.670 -2.004 -5.075 89 HA CYS 15 HA CYS 15 -6.955 -0.260 -2.918 90 HB2 CYS 15 1HB CYS 15 -5.356 -0.258 -5.041 91 HB3 CYS 15 2HB CYS 15 -6.561 0.872 -5.650 92 H GLN 16 H GLN 16 -7.860 2.065 -3.279 93 HA GLN 16 HA GLN 16 -10.555 1.868 -4.449 94 HB2 GLN 16 1HB GLN 16 -9.947 3.418 -1.939 95 HB3 GLN 16 2HB GLN 16 -11.520 2.983 -2.593 96 HG2 GLN 16 1HG GLN 16 -9.525 0.980 -1.572 97 HG3 GLN 16 2HG GLN 16 -10.808 1.682 -0.588 98 HE21 GLN 16 1HE2 GLN 16 -10.069 -1.041 -1.974 99 HE22 GLN 16 2HE2 GLN 16 -11.607 -1.582 -2.545 100 H VAL 17 H VAL 17 -7.710 3.756 -3.853 101 HA VAL 17 HA VAL 17 -8.802 6.235 -4.813 102 HB VAL 17 HB VAL 17 -6.368 6.939 -4.877 103 HG11 VAL 17 1HG1 VAL 17 -6.162 6.846 -2.347 104 HG12 VAL 17 2HG1 VAL 17 -7.635 7.573 -2.993 105 HG13 VAL 17 3HG1 VAL 17 -7.666 5.925 -2.362 106 HG21 VAL 17 3HG2 VAL 17 -5.489 4.623 -5.167 107 HG22 VAL 17 1HG2 VAL 17 -4.720 5.526 -3.861 108 HG23 VAL 17 2HG2 VAL 17 -5.930 4.297 -3.491 109 H CYS 18 H CYS 18 -6.792 3.650 -6.143 110 HA CYS 18 HA CYS 18 -7.035 4.907 -8.797 111 HB2 CYS 18 1HB CYS 18 -5.019 3.706 -9.443 112 HB3 CYS 18 2HB CYS 18 -4.710 4.656 -7.992 113 H GLY 19 H GLY 19 -7.427 1.957 -6.942 114 HA2 GLY 19 1HA GLY 19 -9.164 0.401 -7.456 115 HA3 GLY 19 2HA GLY 19 -9.046 0.876 -9.144 116 H LYS 20 H LYS 20 -6.118 0.319 -7.409 117 HA LYS 20 HA LYS 20 -5.277 -1.703 -9.200 118 HB2 LYS 20 1HB LYS 20 -4.190 -0.441 -6.735 119 HB3 LYS 20 2HB LYS 20 -3.511 -1.992 -7.213 120 HG2 LYS 20 1HG LYS 20 -3.746 0.152 -9.261 121 HG3 LYS 20 2HG LYS 20 -2.471 0.267 -8.046 122 HD2 LYS 20 1HD LYS 20 -2.053 -2.242 -8.727 123 HD3 LYS 20 2HD LYS 20 -2.861 -1.742 -10.215 124 HE2 LYS 20 1HE LYS 20 -0.653 -1.313 -10.718 125 HE3 LYS 20 2HE LYS 20 -1.189 0.256 -10.119 126 HZ1 LYS 20 3HZ LYS 20 1.005 -0.836 -9.252 127 HZ2 LYS 20 1HZ LYS 20 -0.048 -1.653 -8.210 128 HZ3 LYS 20 2HZ LYS 20 0.004 0.037 -8.204 129 H ALA 21 H ALA 21 -4.311 -3.820 -8.249 130 HA ALA 21 HA ALA 21 -5.911 -5.005 -6.140 131 HB1 ALA 21 3HB ALA 21 -7.200 -5.211 -8.330 132 HB2 ALA 21 1HB ALA 21 -5.948 -6.351 -8.824 133 HB3 ALA 21 2HB ALA 21 -6.940 -6.690 -7.405 134 H PHE 22 H PHE 22 -4.690 -6.351 -4.985 135 HA PHE 22 HA PHE 22 -2.438 -7.709 -6.287 136 HB2 PHE 22 1HB PHE 22 -2.123 -6.563 -3.530 137 HB3 PHE 22 2HB PHE 22 -0.877 -7.046 -4.676 138 HD1 PHE 22 HD2 PHE 22 -3.628 -4.564 -4.288 139 HD2 PHE 22 HD1 PHE 22 0.225 -5.423 -5.878 140 HE1 PHE 22 HE2 PHE 22 -3.423 -2.231 -5.040 141 HE2 PHE 22 HE1 PHE 22 0.438 -3.090 -6.632 142 HZ PHE 22 HZ PHE 22 -1.388 -1.491 -6.214 143 H ARG 23 H ARG 23 -2.823 -9.808 -6.079 144 HA ARG 23 HA ARG 23 -4.621 -11.029 -4.383 145 HB2 ARG 23 1HB ARG 23 -3.200 -13.120 -4.772 146 HB3 ARG 23 2HB ARG 23 -3.839 -12.307 -6.195 147 HG2 ARG 23 1HG ARG 23 -1.781 -11.582 -6.879 148 HG3 ARG 23 2HG ARG 23 -1.118 -11.578 -5.243 149 HD2 ARG 23 1HD ARG 23 -1.870 -14.113 -6.671 150 HD3 ARG 23 2HD ARG 23 -0.275 -13.379 -6.832 151 HE ARG 23 HE ARG 23 -0.975 -13.706 -4.102 152 HH11 ARG 23 1HH1 ARG 23 0.109 -15.460 -6.906 153 HH12 ARG 23 2HH1 ARG 23 0.903 -16.697 -5.988 154 HH21 ARG 23 1HH2 ARG 23 0.065 -15.328 -2.881 155 HH22 ARG 23 2HH2 ARG 23 0.876 -16.621 -3.698 156 H VAL 24 H VAL 24 -1.589 -9.695 -3.610 157 HA VAL 24 HA VAL 24 -1.529 -11.145 -1.045 158 HB VAL 24 HB VAL 24 0.819 -10.614 -0.868 159 HG11 VAL 24 1HG1 VAL 24 -0.243 -12.030 -3.217 160 HG12 VAL 24 2HG1 VAL 24 1.468 -11.607 -3.299 161 HG13 VAL 24 3HG1 VAL 24 0.863 -12.583 -1.960 162 HG21 VAL 24 3HG2 VAL 24 1.627 -8.789 -1.844 163 HG22 VAL 24 1HG2 VAL 24 1.505 -9.609 -3.401 164 HG23 VAL 24 2HG2 VAL 24 0.168 -8.617 -2.819 165 H SER 25 H SER 25 -0.805 -9.884 0.835 166 HA SER 25 HA SER 25 -2.167 -7.327 0.898 167 HB2 SER 25 1HB SER 25 -2.581 -8.784 2.762 168 HB3 SER 25 2HB SER 25 -0.855 -8.999 3.049 169 HG SER 25 HG SER 25 -0.744 -7.066 3.963 170 H SER 26 H SER 26 1.066 -8.491 1.860 171 HA SER 26 HA SER 26 2.340 -6.218 2.524 172 HB2 SER 26 1HB SER 26 4.419 -7.181 1.628 173 HB3 SER 26 2HB SER 26 3.451 -8.411 2.441 174 HG SER 26 HG SER 26 3.986 -9.350 0.561 175 H HIS 27 H HIS 27 2.396 -7.382 -0.849 176 HA HIS 27 HA HIS 27 3.481 -5.188 -2.063 177 HB2 HIS 27 1HB HIS 27 1.288 -6.990 -3.106 178 HB3 HIS 27 2HB HIS 27 2.194 -5.857 -4.104 179 HD2 HIS 27 HD2 HIS 27 4.390 -7.734 -1.579 180 HE1 HIS 27 HE1 HIS 27 4.824 -9.682 -5.322 181 HE2 HIS 27 HE2 HIS 27 5.638 -9.543 -2.943 182 H LEU 28 H LEU 28 -0.041 -5.764 -2.011 183 HA LEU 28 HA LEU 28 -0.980 -3.415 -2.935 184 HB2 LEU 28 1HB LEU 28 -2.575 -5.015 -2.364 185 HB3 LEU 28 2HB LEU 28 -1.975 -5.158 -0.713 186 HG LEU 28 HG LEU 28 -2.961 -3.035 -0.124 187 HD11 LEU 28 1HD1 LEU 28 -4.498 -1.972 -1.886 188 HD12 LEU 28 2HD1 LEU 28 -3.533 -2.866 -3.060 189 HD13 LEU 28 3HD1 LEU 28 -2.762 -1.681 -2.006 190 HD21 LEU 28 3HD2 LEU 28 -4.729 -4.309 0.326 191 HD22 LEU 28 1HD2 LEU 28 -4.478 -5.289 -1.118 192 HD23 LEU 28 2HD2 LEU 28 -5.399 -3.788 -1.221 193 H VAL 29 H VAL 29 0.065 -3.990 0.408 194 HA VAL 29 HA VAL 29 -0.547 -1.471 1.450 195 HB VAL 29 HB VAL 29 1.732 -3.285 2.253 196 HG11 VAL 29 1HG1 VAL 29 2.056 -1.094 3.174 197 HG12 VAL 29 2HG1 VAL 29 0.373 -1.016 3.700 198 HG13 VAL 29 3HG1 VAL 29 1.483 -2.159 4.457 199 HG21 VAL 29 3HG2 VAL 29 -0.256 -3.574 4.117 200 HG22 VAL 29 1HG2 VAL 29 -1.162 -3.451 2.609 201 HG23 VAL 29 2HG2 VAL 29 0.076 -4.693 2.796 202 H GLN 30 H GLN 30 2.604 -2.658 0.265 203 HA GLN 30 HA GLN 30 4.012 -0.279 0.498 204 HB2 GLN 30 1HB GLN 30 4.352 -2.444 -1.585 205 HB3 GLN 30 2HB GLN 30 5.543 -1.208 -1.201 206 HG2 GLN 30 1HG GLN 30 4.611 -3.488 0.510 207 HG3 GLN 30 2HG GLN 30 6.236 -3.155 -0.086 208 HE21 GLN 30 1HE2 GLN 30 3.768 -2.204 2.194 209 HE22 GLN 30 2HE2 GLN 30 4.811 -1.331 3.258 210 H HIS 31 H HIS 31 1.628 -1.220 -1.820 211 HA HIS 31 HA HIS 31 2.336 0.807 -3.750 212 HB2 HIS 31 1HB HIS 31 1.343 -0.938 -4.863 213 HB3 HIS 31 2HB HIS 31 0.253 -1.309 -3.530 214 HD1 HIS 31 HD1 HIS 31 0.656 1.190 -6.344 215 HD2 HIS 31 HD2 HIS 31 -2.268 -0.282 -3.787 216 HE1 HIS 31 HE1 HIS 31 -1.511 2.166 -7.167 217 H HIS 32 H HIS 32 0.334 0.552 -0.954 218 HA HIS 32 HA HIS 32 -1.484 2.648 -1.548 219 HB2 HIS 32 1HB HIS 32 -0.667 1.188 0.932 220 HB3 HIS 32 2HB HIS 32 -1.611 2.667 1.084 221 HD2 HIS 32 HD2 HIS 32 -2.434 -0.830 1.226 222 HE1 HIS 32 HE1 HIS 32 -5.551 0.742 -1.183 223 HE2 HIS 32 HE2 HIS 32 -4.814 -1.175 0.274 224 H SER 33 H SER 33 1.775 2.763 -1.145 225 HA SER 33 HA SER 33 1.708 5.463 0.032 226 HB2 SER 33 1HB SER 33 3.077 3.701 1.218 227 HB3 SER 33 2HB SER 33 4.124 3.659 -0.200 228 HG SER 33 HG SER 33 4.428 5.227 1.788 229 H VAL 34 H VAL 34 1.760 3.992 -2.866 230 HA VAL 34 HA VAL 34 3.856 5.457 -4.176 231 HB VAL 34 HB VAL 34 3.145 4.457 -6.192 232 HG11 VAL 34 1HG1 VAL 34 2.532 2.031 -5.337 233 HG12 VAL 34 2HG1 VAL 34 4.139 2.719 -5.094 234 HG13 VAL 34 3HG1 VAL 34 2.964 2.733 -3.778 235 HG21 VAL 34 3HG2 VAL 34 0.874 3.086 -6.015 236 HG22 VAL 34 1HG2 VAL 34 0.504 4.354 -4.846 237 HG23 VAL 34 2HG2 VAL 34 0.912 4.778 -6.509 238 H HIS 35 H HIS 35 0.415 5.864 -3.653 239 HA HIS 35 HA HIS 35 0.101 8.000 -5.530 240 HB2 HIS 35 1HB HIS 35 -1.698 7.436 -3.177 241 HB3 HIS 35 2HB HIS 35 -2.121 8.196 -4.708 242 HD1 HIS 35 HD1 HIS 35 -1.516 6.361 -6.832 243 HD2 HIS 35 HD2 HIS 35 -2.648 4.920 -3.104 244 HE1 HIS 35 HE1 HIS 35 -2.345 4.022 -7.239 245 H SER 36 H SER 36 0.086 7.918 -1.962 246 HA SER 36 HA SER 36 0.393 10.788 -1.831 247 HB2 SER 36 1HB SER 36 0.417 10.402 0.640 248 HB3 SER 36 2HB SER 36 -1.002 9.728 -0.161 249 HG SER 36 HG SER 36 0.856 8.472 1.308 250 H GLY 37 H GLY 37 2.277 11.806 -1.915 251 HA2 GLY 37 1HA GLY 37 4.549 11.100 -0.427 252 HA3 GLY 37 2HA GLY 37 4.758 10.493 -2.063 253 H GLU 38 H GLU 38 5.315 11.876 -3.674 254 HA GLU 38 HA GLU 38 5.486 14.733 -2.974 255 HB2 GLU 38 1HB GLU 38 7.471 13.428 -4.804 256 HB3 GLU 38 2HB GLU 38 7.625 14.920 -3.889 257 HG2 GLU 38 1HG GLU 38 9.038 13.293 -2.889 258 HG3 GLU 38 2HG GLU 38 7.675 13.566 -1.806 259 H ARG 39 H ARG 39 4.064 12.524 -4.943 260 HA ARG 39 HA ARG 39 4.190 13.290 -7.530 261 HB2 ARG 39 1HB ARG 39 1.935 12.546 -7.818 262 HB3 ARG 39 2HB ARG 39 2.663 11.552 -6.563 263 HG2 ARG 39 1HG ARG 39 1.351 12.423 -4.912 264 HG3 ARG 39 2HG ARG 39 1.151 13.970 -5.737 265 HD2 ARG 39 1HD ARG 39 -0.137 12.495 -7.490 266 HD3 ARG 39 2HD ARG 39 -0.317 11.404 -6.117 267 HE ARG 39 HE ARG 39 -1.690 13.868 -6.540 268 HH11 ARG 39 1HH1 ARG 39 -0.415 11.755 -4.084 269 HH12 ARG 39 2HH1 ARG 39 -1.525 12.288 -2.865 270 HH21 ARG 39 1HH2 ARG 39 -3.157 14.577 -4.943 271 HH22 ARG 39 2HH2 ARG 39 -3.085 13.892 -3.355 272 HA PRO 40 HA PRO 40 3.042 17.515 -7.901 273 HB2 PRO 40 1HB PRO 40 2.021 17.516 -10.416 274 HB3 PRO 40 2HB PRO 40 3.751 17.374 -10.082 275 HG2 PRO 40 1HG PRO 40 1.763 15.230 -10.726 276 HG3 PRO 40 2HG PRO 40 3.418 15.439 -11.328 277 HD2 PRO 40 1HD PRO 40 2.796 13.692 -9.356 278 HD3 PRO 40 2HD PRO 40 4.358 14.531 -9.430 279 H SER 41 H SER 41 1.367 18.565 -7.054 280 HA SER 41 HA SER 41 -1.049 17.564 -6.339 281 HB2 SER 41 1HB SER 41 -0.274 20.373 -7.103 282 HB3 SER 41 2HB SER 41 -1.896 19.991 -6.525 283 HG SER 41 HG SER 41 0.547 19.540 -5.150 284 H GLY 42 H GLY 42 -3.262 18.147 -7.165 285 HA2 GLY 42 1HA GLY 42 -3.618 18.676 -9.949 286 HA3 GLY 42 2HA GLY 42 -3.786 16.962 -9.597 287 HA PRO 43 HA PRO 43 -7.320 19.272 -7.206 288 HB2 PRO 43 1HB PRO 43 -7.768 21.841 -7.960 289 HB3 PRO 43 2HB PRO 43 -6.672 21.404 -6.644 290 HG2 PRO 43 1HG PRO 43 -6.037 22.100 -9.486 291 HG3 PRO 43 2HG PRO 43 -5.218 22.611 -7.998 292 HD2 PRO 43 1HD PRO 43 -4.266 20.629 -9.578 293 HD3 PRO 43 2HD PRO 43 -4.043 20.636 -7.817 294 H SER 44 H SER 44 -6.804 20.524 -10.502 295 HA SER 44 HA SER 44 -8.984 19.010 -11.552 296 HB2 SER 44 1HB SER 44 -9.947 21.167 -10.348 297 HB3 SER 44 2HB SER 44 -9.453 21.946 -11.850 298 HG SER 44 HG SER 44 -10.942 20.858 -12.929 299 H SER 45 H SER 45 -9.301 19.414 -13.884 300 HA SER 45 HA SER 45 -8.309 19.368 -15.949 301 HB2 SER 45 1HB SER 45 -8.913 21.869 -15.344 302 HB3 SER 45 2HB SER 45 -7.161 22.071 -15.375 303 HG SER 45 HG SER 45 -8.620 20.874 -17.488 304 H GLY 46 H GLY 46 -6.702 18.139 -13.983 305 HA2 GLY 46 1HA GLY 46 -4.000 19.063 -14.160 306 HA3 GLY 46 2HA GLY 46 -4.531 17.515 -13.520 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -11.965 -19.067 -34.633 2 HA2 GLY 1 1HA GLY 1 -14.111 -18.905 -32.902 3 HA3 GLY 1 2HA GLY 1 -12.435 -19.011 -32.385 4 H SER 2 H SER 2 -14.431 -17.622 -30.970 5 HA SER 2 HA SER 2 -13.728 -14.804 -31.435 6 HB2 SER 2 1HB SER 2 -16.063 -16.087 -30.014 7 HB3 SER 2 2HB SER 2 -15.694 -14.368 -29.874 8 HG SER 2 HG SER 2 -17.233 -15.022 -31.572 9 H SER 3 H SER 3 -13.610 -13.473 -29.381 10 HA SER 3 HA SER 3 -11.476 -14.336 -27.811 11 HB2 SER 3 1HB SER 3 -13.499 -12.133 -27.483 12 HB3 SER 3 2HB SER 3 -12.278 -12.428 -26.245 13 HG SER 3 HG SER 3 -11.051 -11.251 -27.473 14 H GLY 4 H GLY 4 -11.556 -14.423 -25.344 15 HA2 GLY 4 1HA GLY 4 -13.977 -15.658 -24.284 16 HA3 GLY 4 2HA GLY 4 -12.546 -16.675 -24.348 17 H SER 5 H SER 5 -13.789 -16.160 -21.952 18 HA SER 5 HA SER 5 -12.875 -13.959 -20.506 19 HB2 SER 5 1HB SER 5 -13.569 -16.760 -19.603 20 HB3 SER 5 2HB SER 5 -13.221 -15.440 -18.486 21 HG SER 5 HG SER 5 -15.446 -15.888 -20.073 22 H SER 6 H SER 6 -10.733 -13.485 -20.888 23 HA SER 6 HA SER 6 -8.703 -15.501 -20.366 24 HB2 SER 6 1HB SER 6 -8.218 -14.151 -22.257 25 HB3 SER 6 2HB SER 6 -8.595 -12.663 -21.387 26 HG SER 6 HG SER 6 -6.737 -12.948 -20.163 27 H GLY 7 H GLY 7 -7.227 -15.446 -18.699 28 HA2 GLY 7 1HA GLY 7 -6.435 -15.004 -16.591 29 HA3 GLY 7 2HA GLY 7 -6.835 -13.323 -16.911 30 H THR 8 H THR 8 -8.590 -16.360 -16.257 31 HA THR 8 HA THR 8 -10.691 -14.960 -14.885 32 HB THR 8 HB THR 8 -11.251 -16.971 -16.116 33 HG1 THR 8 HG1 THR 8 -12.694 -16.996 -14.552 34 HG21 THR 8 3HG2 THR 8 -9.789 -18.656 -16.161 35 HG22 THR 8 1HG2 THR 8 -10.322 -19.077 -14.534 36 HG23 THR 8 2HG2 THR 8 -8.927 -18.022 -14.759 37 H GLY 9 H GLY 9 -9.270 -13.908 -13.293 38 HA2 GLY 9 1HA GLY 9 -9.231 -15.443 -10.840 39 HA3 GLY 9 2HA GLY 9 -7.641 -14.977 -11.425 40 H GLU 10 H GLU 10 -10.459 -13.979 -9.770 41 HA GLU 10 HA GLU 10 -9.741 -11.156 -9.869 42 HB2 GLU 10 1HB GLU 10 -12.053 -12.630 -8.607 43 HB3 GLU 10 2HB GLU 10 -11.796 -10.900 -8.421 44 HG2 GLU 10 1HG GLU 10 -12.366 -10.437 -10.581 45 HG3 GLU 10 2HG GLU 10 -11.873 -12.024 -11.169 46 H LYS 11 H LYS 11 -8.651 -10.122 -8.322 47 HA LYS 11 HA LYS 11 -7.604 -11.630 -6.095 48 HB2 LYS 11 1HB LYS 11 -7.180 -8.798 -7.046 49 HB3 LYS 11 2HB LYS 11 -6.427 -9.438 -5.590 50 HG2 LYS 11 1HG LYS 11 -4.982 -10.760 -6.747 51 HG3 LYS 11 2HG LYS 11 -6.087 -10.969 -8.108 52 HD2 LYS 11 1HD LYS 11 -5.656 -8.647 -8.792 53 HD3 LYS 11 2HD LYS 11 -4.522 -8.472 -7.451 54 HE2 LYS 11 1HE LYS 11 -4.119 -10.732 -9.338 55 HE3 LYS 11 2HE LYS 11 -3.723 -9.109 -9.898 56 HZ1 LYS 11 3HZ LYS 11 -2.362 -8.900 -7.813 57 HZ2 LYS 11 1HZ LYS 11 -1.768 -9.988 -8.965 58 HZ3 LYS 11 2HZ LYS 11 -2.570 -10.565 -7.592 59 HA PRO 12 HA PRO 12 -10.571 -10.389 -3.089 60 HB2 PRO 12 1HB PRO 12 -9.070 -10.701 -0.848 61 HB3 PRO 12 2HB PRO 12 -9.714 -12.064 -1.770 62 HG2 PRO 12 1HG PRO 12 -6.967 -10.875 -1.817 63 HG3 PRO 12 2HG PRO 12 -7.447 -12.582 -1.812 64 HD2 PRO 12 1HD PRO 12 -6.694 -11.288 -4.068 65 HD3 PRO 12 2HD PRO 12 -7.898 -12.593 -4.072 66 H TYR 13 H TYR 13 -7.313 -8.999 -2.855 67 HA TYR 13 HA TYR 13 -8.390 -6.646 -1.498 68 HB2 TYR 13 1HB TYR 13 -5.499 -6.927 -2.201 69 HB3 TYR 13 2HB TYR 13 -6.239 -6.172 -0.794 70 HD1 TYR 13 HD2 TYR 13 -8.052 -8.516 -0.055 71 HD2 TYR 13 HD1 TYR 13 -3.927 -8.307 -1.075 72 HE1 TYR 13 HE2 TYR 13 -7.629 -10.550 1.262 73 HE2 TYR 13 HE1 TYR 13 -3.493 -10.341 0.237 74 HH TYR 13 HH TYR 13 -5.834 -12.426 1.224 75 H LYS 14 H LYS 14 -8.583 -4.686 -2.423 76 HA LYS 14 HA LYS 14 -7.286 -4.114 -4.960 77 HB2 LYS 14 1HB LYS 14 -9.310 -5.145 -5.745 78 HB3 LYS 14 2HB LYS 14 -10.287 -4.197 -4.631 79 HG2 LYS 14 1HG LYS 14 -9.199 -2.185 -5.955 80 HG3 LYS 14 2HG LYS 14 -9.048 -3.417 -7.210 81 HD2 LYS 14 1HD LYS 14 -11.487 -3.900 -6.903 82 HD3 LYS 14 2HD LYS 14 -11.569 -2.498 -5.834 83 HE2 LYS 14 1HE LYS 14 -11.164 -1.001 -7.559 84 HE3 LYS 14 2HE LYS 14 -10.429 -2.231 -8.587 85 HZ1 LYS 14 3HZ LYS 14 -12.577 -3.204 -8.960 86 HZ2 LYS 14 1HZ LYS 14 -12.656 -1.556 -9.333 87 HZ3 LYS 14 2HZ LYS 14 -13.312 -2.128 -7.882 88 H CYS 15 H CYS 15 -6.664 -2.048 -5.054 89 HA CYS 15 HA CYS 15 -6.908 -0.306 -2.897 90 HB2 CYS 15 1HB CYS 15 -5.330 -0.325 -5.039 91 HB3 CYS 15 2HB CYS 15 -6.515 0.840 -5.622 92 H GLN 16 H GLN 16 -7.728 2.082 -3.357 93 HA GLN 16 HA GLN 16 -10.460 1.919 -4.438 94 HB2 GLN 16 1HB GLN 16 -9.688 3.421 -1.934 95 HB3 GLN 16 2HB GLN 16 -11.306 3.220 -2.591 96 HG2 GLN 16 1HG GLN 16 -9.557 1.068 -1.426 97 HG3 GLN 16 2HG GLN 16 -11.004 1.767 -0.701 98 HE21 GLN 16 1HE2 GLN 16 -10.179 -0.995 -1.674 99 HE22 GLN 16 2HE2 GLN 16 -11.517 -1.508 -2.638 100 H VAL 17 H VAL 17 -7.593 3.812 -3.842 101 HA VAL 17 HA VAL 17 -8.629 6.270 -4.873 102 HB VAL 17 HB VAL 17 -6.234 6.973 -4.951 103 HG11 VAL 17 1HG1 VAL 17 -7.423 5.819 -2.449 104 HG12 VAL 17 2HG1 VAL 17 -5.882 6.679 -2.429 105 HG13 VAL 17 3HG1 VAL 17 -7.346 7.504 -2.964 106 HG21 VAL 17 3HG2 VAL 17 -5.862 4.101 -4.617 107 HG22 VAL 17 1HG2 VAL 17 -4.741 5.328 -5.206 108 HG23 VAL 17 2HG2 VAL 17 -4.924 5.060 -3.472 109 H CYS 18 H CYS 18 -6.764 3.585 -6.203 110 HA CYS 18 HA CYS 18 -7.070 4.786 -8.878 111 HB2 CYS 18 1HB CYS 18 -5.047 3.620 -9.558 112 HB3 CYS 18 2HB CYS 18 -4.713 4.615 -8.145 113 H GLY 19 H GLY 19 -7.479 1.967 -6.879 114 HA2 GLY 19 1HA GLY 19 -9.131 0.326 -7.293 115 HA3 GLY 19 2HA GLY 19 -9.099 0.757 -8.996 116 H LYS 20 H LYS 20 -6.082 0.311 -7.394 117 HA LYS 20 HA LYS 20 -5.261 -1.724 -9.166 118 HB2 LYS 20 1HB LYS 20 -4.131 -0.422 -6.742 119 HB3 LYS 20 2HB LYS 20 -3.439 -1.965 -7.225 120 HG2 LYS 20 1HG LYS 20 -3.751 0.259 -9.202 121 HG3 LYS 20 2HG LYS 20 -2.374 0.206 -8.099 122 HD2 LYS 20 1HD LYS 20 -2.243 -2.292 -8.985 123 HD3 LYS 20 2HD LYS 20 -3.065 -1.578 -10.374 124 HE2 LYS 20 1HE LYS 20 -1.160 0.246 -10.079 125 HE3 LYS 20 2HE LYS 20 -0.321 -1.114 -9.334 126 HZ1 LYS 20 3HZ LYS 20 -0.671 -0.576 -12.059 127 HZ2 LYS 20 1HZ LYS 20 -1.499 -2.009 -11.707 128 HZ3 LYS 20 2HZ LYS 20 0.147 -1.873 -11.344 129 H ALA 21 H ALA 21 -4.248 -3.821 -8.245 130 HA ALA 21 HA ALA 21 -5.839 -5.014 -6.114 131 HB1 ALA 21 3HB ALA 21 -5.675 -6.660 -8.567 132 HB2 ALA 21 1HB ALA 21 -6.942 -6.566 -7.343 133 HB3 ALA 21 2HB ALA 21 -6.815 -5.315 -8.581 134 H PHE 22 H PHE 22 -4.789 -6.614 -5.022 135 HA PHE 22 HA PHE 22 -2.367 -7.780 -6.141 136 HB2 PHE 22 1HB PHE 22 -2.178 -6.590 -3.394 137 HB3 PHE 22 2HB PHE 22 -0.885 -7.018 -4.510 138 HD1 PHE 22 HD2 PHE 22 -3.781 -4.683 -4.253 139 HD2 PHE 22 HD1 PHE 22 0.194 -5.330 -5.631 140 HE1 PHE 22 HE2 PHE 22 -3.665 -2.344 -5.008 141 HE2 PHE 22 HE1 PHE 22 0.317 -2.992 -6.387 142 HZ PHE 22 HZ PHE 22 -1.615 -1.496 -6.077 143 H ARG 23 H ARG 23 -2.818 -9.876 -5.949 144 HA ARG 23 HA ARG 23 -4.603 -11.109 -4.277 145 HB2 ARG 23 1HB ARG 23 -3.231 -13.188 -4.615 146 HB3 ARG 23 2HB ARG 23 -3.656 -12.335 -6.093 147 HG2 ARG 23 1HG ARG 23 -1.506 -11.714 -6.521 148 HG3 ARG 23 2HG ARG 23 -1.053 -11.700 -4.816 149 HD2 ARG 23 1HD ARG 23 -1.467 -14.277 -4.995 150 HD3 ARG 23 2HD ARG 23 -1.231 -13.993 -6.719 151 HE ARG 23 HE ARG 23 0.882 -12.771 -5.404 152 HH11 ARG 23 1HH1 ARG 23 -0.392 -15.984 -5.819 153 HH12 ARG 23 2HH1 ARG 23 1.152 -16.756 -5.665 154 HH21 ARG 23 1HH2 ARG 23 2.919 -13.776 -5.199 155 HH22 ARG 23 2HH2 ARG 23 3.034 -15.499 -5.312 156 H VAL 24 H VAL 24 -1.570 -9.760 -3.451 157 HA VAL 24 HA VAL 24 -1.623 -11.112 -0.834 158 HB VAL 24 HB VAL 24 0.724 -10.642 -0.599 159 HG11 VAL 24 1HG1 VAL 24 1.332 -12.396 -1.842 160 HG12 VAL 24 2HG1 VAL 24 -0.333 -12.404 -2.427 161 HG13 VAL 24 3HG1 VAL 24 0.924 -11.578 -3.350 162 HG21 VAL 24 3HG2 VAL 24 1.895 -9.131 -1.789 163 HG22 VAL 24 1HG2 VAL 24 1.120 -9.577 -3.309 164 HG23 VAL 24 2HG2 VAL 24 0.302 -8.488 -2.189 165 H SER 25 H SER 25 -1.048 -9.824 1.039 166 HA SER 25 HA SER 25 -2.252 -7.184 0.894 167 HB2 SER 25 1HB SER 25 -2.976 -8.604 2.713 168 HB3 SER 25 2HB SER 25 -1.310 -8.852 3.238 169 HG SER 25 HG SER 25 -2.800 -6.439 3.300 170 H SER 26 H SER 26 0.865 -8.660 1.575 171 HA SER 26 HA SER 26 2.232 -6.475 2.607 172 HB2 SER 26 1HB SER 26 3.367 -8.586 0.757 173 HB3 SER 26 2HB SER 26 4.275 -7.588 1.893 174 HG SER 26 HG SER 26 2.955 -9.898 2.331 175 H HIS 27 H HIS 27 2.076 -7.525 -0.797 176 HA HIS 27 HA HIS 27 3.498 -5.383 -1.883 177 HB2 HIS 27 1HB HIS 27 1.293 -7.036 -3.131 178 HB3 HIS 27 2HB HIS 27 2.380 -5.974 -4.021 179 HD2 HIS 27 HD2 HIS 27 4.553 -7.673 -1.527 180 HE1 HIS 27 HE1 HIS 27 4.509 -10.266 -4.885 181 HE2 HIS 27 HE2 HIS 27 5.577 -9.761 -2.660 182 H LEU 28 H LEU 28 -0.045 -5.821 -1.849 183 HA LEU 28 HA LEU 28 -0.889 -3.469 -2.883 184 HB2 LEU 28 1HB LEU 28 -2.548 -4.984 -2.269 185 HB3 LEU 28 2HB LEU 28 -1.958 -5.101 -0.613 186 HG LEU 28 HG LEU 28 -2.836 -2.881 -0.127 187 HD11 LEU 28 1HD1 LEU 28 -3.836 -1.488 -1.658 188 HD12 LEU 28 2HD1 LEU 28 -4.209 -2.800 -2.774 189 HD13 LEU 28 3HD1 LEU 28 -2.555 -2.208 -2.632 190 HD21 LEU 28 3HD2 LEU 28 -4.322 -5.198 -0.603 191 HD22 LEU 28 1HD2 LEU 28 -5.267 -3.881 -1.298 192 HD23 LEU 28 2HD2 LEU 28 -4.780 -3.818 0.396 193 H VAL 29 H VAL 29 0.449 -3.962 0.327 194 HA VAL 29 HA VAL 29 -0.187 -1.437 1.408 195 HB VAL 29 HB VAL 29 2.133 -3.255 2.078 196 HG11 VAL 29 1HG1 VAL 29 1.763 -1.992 4.349 197 HG12 VAL 29 2HG1 VAL 29 2.765 -1.287 3.078 198 HG13 VAL 29 3HG1 VAL 29 1.103 -0.738 3.299 199 HG21 VAL 29 3HG2 VAL 29 0.670 -4.575 3.105 200 HG22 VAL 29 1HG2 VAL 29 0.046 -3.209 4.031 201 HG23 VAL 29 2HG2 VAL 29 -0.642 -3.593 2.453 202 H GLN 30 H GLN 30 2.910 -2.612 0.077 203 HA GLN 30 HA GLN 30 4.313 -0.235 0.171 204 HB2 GLN 30 1HB GLN 30 4.501 -2.395 -1.936 205 HB3 GLN 30 2HB GLN 30 5.718 -1.162 -1.630 206 HG2 GLN 30 1HG GLN 30 4.910 -3.458 0.120 207 HG3 GLN 30 2HG GLN 30 6.492 -3.104 -0.571 208 HE21 GLN 30 1HE2 GLN 30 4.146 -2.153 1.843 209 HE22 GLN 30 2HE2 GLN 30 5.252 -1.300 2.860 210 H HIS 31 H HIS 31 1.756 -1.172 -1.952 211 HA HIS 31 HA HIS 31 2.319 0.886 -3.909 212 HB2 HIS 31 1HB HIS 31 1.322 -0.876 -4.994 213 HB3 HIS 31 2HB HIS 31 0.310 -1.293 -3.614 214 HD1 HIS 31 HD1 HIS 31 0.491 1.169 -6.470 215 HD2 HIS 31 HD2 HIS 31 -2.232 -0.251 -3.672 216 HE1 HIS 31 HE1 HIS 31 -1.735 2.117 -7.157 217 H HIS 32 H HIS 32 0.490 0.531 -1.011 218 HA HIS 32 HA HIS 32 -1.430 2.569 -1.466 219 HB2 HIS 32 1HB HIS 32 -0.450 1.041 0.892 220 HB3 HIS 32 2HB HIS 32 -1.304 2.550 1.203 221 HD2 HIS 32 HD2 HIS 32 -2.276 -0.911 1.264 222 HE1 HIS 32 HE1 HIS 32 -5.531 0.915 -0.754 223 HE2 HIS 32 HE2 HIS 32 -4.750 -1.104 0.534 224 H SER 33 H SER 33 1.836 2.804 -1.285 225 HA SER 33 HA SER 33 1.758 5.476 -0.049 226 HB2 SER 33 1HB SER 33 4.029 5.226 0.562 227 HB3 SER 33 2HB SER 33 3.294 3.664 0.922 228 HG SER 33 HG SER 33 5.048 3.110 -0.205 229 H VAL 34 H VAL 34 1.544 4.142 -2.969 230 HA VAL 34 HA VAL 34 3.507 5.660 -4.424 231 HB VAL 34 HB VAL 34 2.640 4.706 -6.387 232 HG11 VAL 34 1HG1 VAL 34 2.638 2.930 -4.014 233 HG12 VAL 34 2HG1 VAL 34 2.016 2.266 -5.526 234 HG13 VAL 34 3HG1 VAL 34 3.660 2.903 -5.451 235 HG21 VAL 34 3HG2 VAL 34 0.425 3.580 -6.471 236 HG22 VAL 34 1HG2 VAL 34 0.109 4.169 -4.839 237 HG23 VAL 34 2HG2 VAL 34 0.323 5.313 -6.163 238 H HIS 35 H HIS 35 0.222 6.110 -3.392 239 HA HIS 35 HA HIS 35 -0.196 8.378 -5.163 240 HB2 HIS 35 1HB HIS 35 -2.055 7.571 -2.944 241 HB3 HIS 35 2HB HIS 35 -2.436 8.360 -4.472 242 HD1 HIS 35 HD1 HIS 35 -1.848 6.676 -6.643 243 HD2 HIS 35 HD2 HIS 35 -2.712 4.957 -2.960 244 HE1 HIS 35 HE1 HIS 35 -2.513 4.303 -7.147 245 H SER 36 H SER 36 1.942 8.530 -3.221 246 HA SER 36 HA SER 36 1.236 11.066 -2.035 247 HB2 SER 36 1HB SER 36 1.693 8.608 -0.386 248 HB3 SER 36 2HB SER 36 2.242 10.168 0.226 249 HG SER 36 HG SER 36 -0.176 9.190 0.362 250 H GLY 37 H GLY 37 2.891 12.361 -2.449 251 HA2 GLY 37 1HA GLY 37 5.428 12.325 -1.653 252 HA3 GLY 37 2HA GLY 37 5.511 11.214 -3.012 253 H GLU 38 H GLU 38 3.760 12.440 -4.784 254 HA GLU 38 HA GLU 38 5.341 14.793 -5.515 255 HB2 GLU 38 1HB GLU 38 4.587 14.460 -7.757 256 HB3 GLU 38 2HB GLU 38 5.069 12.890 -7.130 257 HG2 GLU 38 1HG GLU 38 2.773 12.270 -6.777 258 HG3 GLU 38 2HG GLU 38 2.231 13.881 -7.244 259 H ARG 39 H ARG 39 3.947 16.413 -6.901 260 HA ARG 39 HA ARG 39 2.374 17.895 -5.229 261 HB2 ARG 39 1HB ARG 39 3.219 18.779 -7.326 262 HB3 ARG 39 2HB ARG 39 2.185 17.689 -8.238 263 HG2 ARG 39 1HG ARG 39 0.907 19.566 -6.324 264 HG3 ARG 39 2HG ARG 39 1.533 20.206 -7.844 265 HD2 ARG 39 1HD ARG 39 -0.166 17.759 -7.898 266 HD3 ARG 39 2HD ARG 39 -0.938 19.325 -7.652 267 HE ARG 39 HE ARG 39 0.112 18.307 -10.091 268 HH11 ARG 39 1HH1 ARG 39 -0.345 21.237 -8.267 269 HH12 ARG 39 2HH1 ARG 39 -0.378 22.258 -9.666 270 HH21 ARG 39 1HH2 ARG 39 0.070 19.641 -11.941 271 HH22 ARG 39 2HH2 ARG 39 -0.143 21.349 -11.756 272 HA PRO 40 HA PRO 40 -1.308 15.455 -4.789 273 HB2 PRO 40 1HB PRO 40 -2.732 17.297 -3.393 274 HB3 PRO 40 2HB PRO 40 -1.440 16.332 -2.670 275 HG2 PRO 40 1HG PRO 40 -1.360 19.146 -3.688 276 HG3 PRO 40 2HG PRO 40 -0.657 18.472 -2.206 277 HD2 PRO 40 1HD PRO 40 0.812 18.945 -4.431 278 HD3 PRO 40 2HD PRO 40 1.172 17.612 -3.315 279 H SER 41 H SER 41 -3.060 15.196 -6.042 280 HA SER 41 HA SER 41 -3.621 16.452 -8.332 281 HB2 SER 41 1HB SER 41 -5.376 15.051 -6.374 282 HB3 SER 41 2HB SER 41 -6.160 15.924 -7.690 283 HG SER 41 HG SER 41 -4.736 13.589 -7.742 284 H GLY 42 H GLY 42 -4.985 17.437 -5.196 285 HA2 GLY 42 1HA GLY 42 -4.961 19.908 -4.830 286 HA3 GLY 42 2HA GLY 42 -5.665 20.033 -6.435 287 HA PRO 43 HA PRO 43 -8.870 19.368 -2.905 288 HB2 PRO 43 1HB PRO 43 -9.391 21.934 -2.189 289 HB3 PRO 43 2HB PRO 43 -8.178 20.938 -1.378 290 HG2 PRO 43 1HG PRO 43 -7.810 23.025 -3.493 291 HG3 PRO 43 2HG PRO 43 -6.857 22.740 -2.024 292 HD2 PRO 43 1HD PRO 43 -6.052 21.900 -4.469 293 HD3 PRO 43 2HD PRO 43 -5.667 21.013 -2.980 294 H SER 44 H SER 44 -10.922 19.230 -3.591 295 HA SER 44 HA SER 44 -11.748 20.970 -5.821 296 HB2 SER 44 1HB SER 44 -11.529 18.350 -6.055 297 HB3 SER 44 2HB SER 44 -13.106 18.361 -5.266 298 HG SER 44 HG SER 44 -13.727 19.893 -6.961 299 H SER 45 H SER 45 -13.021 19.183 -3.018 300 HA SER 45 HA SER 45 -14.949 19.477 -1.805 301 HB2 SER 45 1HB SER 45 -14.072 22.370 -1.936 302 HB3 SER 45 2HB SER 45 -15.023 21.605 -0.663 303 HG SER 45 HG SER 45 -13.262 20.598 0.076 304 H GLY 46 H GLY 46 -15.562 19.341 -4.509 305 HA2 GLY 46 1HA GLY 46 -17.501 19.614 -5.749 306 HA3 GLY 46 2HA GLY 46 -18.080 20.741 -4.531 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.607 -10.274 -29.836 2 HA2 GLY 1 1HA GLY 1 4.127 -10.157 -27.814 3 HA3 GLY 1 2HA GLY 1 4.553 -8.563 -28.420 4 H SER 2 H SER 2 2.149 -10.475 -26.803 5 HA SER 2 HA SER 2 0.497 -8.075 -26.392 6 HB2 SER 2 1HB SER 2 -0.159 -11.016 -26.144 7 HB3 SER 2 2HB SER 2 -1.244 -9.733 -25.607 8 HG SER 2 HG SER 2 -0.239 -9.554 -28.198 9 H SER 3 H SER 3 1.128 -7.031 -24.614 10 HA SER 3 HA SER 3 1.890 -8.592 -22.245 11 HB2 SER 3 1HB SER 3 2.529 -5.806 -23.168 12 HB3 SER 3 2HB SER 3 2.674 -6.232 -21.463 13 HG SER 3 HG SER 3 4.307 -7.556 -21.910 14 H GLY 4 H GLY 4 -0.822 -8.494 -22.839 15 HA2 GLY 4 1HA GLY 4 -1.800 -6.878 -20.576 16 HA3 GLY 4 2HA GLY 4 -2.648 -6.842 -22.115 17 H SER 5 H SER 5 -1.401 -9.237 -19.785 18 HA SER 5 HA SER 5 -3.893 -10.759 -20.191 19 HB2 SER 5 1HB SER 5 -1.094 -11.740 -19.613 20 HB3 SER 5 2HB SER 5 -2.522 -12.765 -19.470 21 HG SER 5 HG SER 5 -2.946 -12.263 -21.700 22 H SER 6 H SER 6 -3.805 -8.681 -18.357 23 HA SER 6 HA SER 6 -3.140 -9.566 -15.736 24 HB2 SER 6 1HB SER 6 -4.972 -7.331 -16.640 25 HB3 SER 6 2HB SER 6 -4.408 -7.572 -14.987 26 HG SER 6 HG SER 6 -2.517 -6.788 -15.513 27 H GLY 7 H GLY 7 -4.587 -10.062 -14.005 28 HA2 GLY 7 1HA GLY 7 -6.908 -10.484 -13.311 29 HA3 GLY 7 2HA GLY 7 -7.180 -11.151 -14.913 30 H THR 8 H THR 8 -6.582 -13.245 -15.360 31 HA THR 8 HA THR 8 -6.459 -15.463 -14.758 32 HB THR 8 HB THR 8 -4.115 -14.852 -15.237 33 HG1 THR 8 HG1 THR 8 -4.244 -16.971 -14.789 34 HG21 THR 8 3HG2 THR 8 -3.505 -13.236 -13.674 35 HG22 THR 8 1HG2 THR 8 -2.638 -14.667 -13.119 36 HG23 THR 8 2HG2 THR 8 -4.128 -14.173 -12.316 37 H GLY 9 H GLY 9 -8.038 -14.043 -12.908 38 HA2 GLY 9 1HA GLY 9 -8.967 -15.325 -10.994 39 HA3 GLY 9 2HA GLY 9 -7.319 -15.416 -10.390 40 H GLU 10 H GLU 10 -10.207 -13.811 -10.118 41 HA GLU 10 HA GLU 10 -9.452 -11.145 -9.698 42 HB2 GLU 10 1HB GLU 10 -11.552 -10.884 -8.539 43 HB3 GLU 10 2HB GLU 10 -11.794 -11.935 -9.928 44 HG2 GLU 10 1HG GLU 10 -11.356 -12.964 -7.140 45 HG3 GLU 10 2HG GLU 10 -12.949 -12.633 -7.815 46 H LYS 11 H LYS 11 -8.546 -10.081 -8.036 47 HA LYS 11 HA LYS 11 -7.477 -11.663 -5.842 48 HB2 LYS 11 1HB LYS 11 -7.024 -8.799 -6.689 49 HB3 LYS 11 2HB LYS 11 -6.260 -9.536 -5.287 50 HG2 LYS 11 1HG LYS 11 -4.853 -10.810 -6.545 51 HG3 LYS 11 2HG LYS 11 -5.976 -10.907 -7.904 52 HD2 LYS 11 1HD LYS 11 -5.527 -8.429 -8.254 53 HD3 LYS 11 2HD LYS 11 -4.185 -8.618 -7.123 54 HE2 LYS 11 1HE LYS 11 -3.143 -8.930 -9.159 55 HE3 LYS 11 2HE LYS 11 -3.502 -10.587 -8.676 56 HZ1 LYS 11 3HZ LYS 11 -4.200 -10.491 -10.867 57 HZ2 LYS 11 1HZ LYS 11 -4.838 -8.931 -10.719 58 HZ3 LYS 11 2HZ LYS 11 -5.641 -10.244 -10.017 59 HA PRO 12 HA PRO 12 -10.491 -10.431 -2.883 60 HB2 PRO 12 1HB PRO 12 -9.024 -10.703 -0.615 61 HB3 PRO 12 2HB PRO 12 -9.631 -12.083 -1.537 62 HG2 PRO 12 1HG PRO 12 -6.903 -10.852 -1.546 63 HG3 PRO 12 2HG PRO 12 -7.357 -12.566 -1.535 64 HD2 PRO 12 1HD PRO 12 -6.585 -11.278 -3.789 65 HD3 PRO 12 2HD PRO 12 -7.768 -12.601 -3.803 66 H TYR 13 H TYR 13 -7.299 -8.928 -2.801 67 HA TYR 13 HA TYR 13 -8.419 -6.599 -1.415 68 HB2 TYR 13 1HB TYR 13 -5.512 -6.899 -2.079 69 HB3 TYR 13 2HB TYR 13 -6.263 -6.041 -0.738 70 HD1 TYR 13 HD2 TYR 13 -8.071 -8.202 0.273 71 HD2 TYR 13 HD1 TYR 13 -4.006 -8.322 -0.977 72 HE1 TYR 13 HE2 TYR 13 -7.686 -10.143 1.734 73 HE2 TYR 13 HE1 TYR 13 -3.610 -10.264 0.479 74 HH TYR 13 HH TYR 13 -6.198 -11.949 2.040 75 H LYS 14 H LYS 14 -8.560 -4.624 -2.346 76 HA LYS 14 HA LYS 14 -7.269 -4.084 -4.886 77 HB2 LYS 14 1HB LYS 14 -9.266 -5.147 -5.687 78 HB3 LYS 14 2HB LYS 14 -10.271 -4.210 -4.590 79 HG2 LYS 14 1HG LYS 14 -9.198 -2.189 -5.919 80 HG3 LYS 14 2HG LYS 14 -9.026 -3.428 -7.164 81 HD2 LYS 14 1HD LYS 14 -11.531 -3.929 -6.576 82 HD3 LYS 14 2HD LYS 14 -11.500 -2.278 -5.952 83 HE2 LYS 14 1HE LYS 14 -12.173 -1.958 -8.138 84 HE3 LYS 14 2HE LYS 14 -10.432 -1.708 -8.249 85 HZ1 LYS 14 3HZ LYS 14 -12.056 -3.706 -9.483 86 HZ2 LYS 14 1HZ LYS 14 -10.760 -4.390 -8.637 87 HZ3 LYS 14 2HZ LYS 14 -10.471 -3.237 -9.840 88 H CYS 15 H CYS 15 -6.701 -2.001 -5.033 89 HA CYS 15 HA CYS 15 -6.987 -0.234 -2.893 90 HB2 CYS 15 1HB CYS 15 -5.373 -0.266 -5.007 91 HB3 CYS 15 2HB CYS 15 -6.563 0.872 -5.630 92 H GLN 16 H GLN 16 -7.843 2.123 -3.364 93 HA GLN 16 HA GLN 16 -10.554 1.908 -4.491 94 HB2 GLN 16 1HB GLN 16 -9.840 3.497 -2.026 95 HB3 GLN 16 2HB GLN 16 -11.447 3.214 -2.683 96 HG2 GLN 16 1HG GLN 16 -9.713 0.956 -1.750 97 HG3 GLN 16 2HG GLN 16 -10.730 1.869 -0.637 98 HE21 GLN 16 1HE2 GLN 16 -10.631 -0.908 -2.186 99 HE22 GLN 16 2HE2 GLN 16 -12.304 -1.167 -2.529 100 H VAL 17 H VAL 17 -7.726 3.864 -3.891 101 HA VAL 17 HA VAL 17 -8.787 6.274 -5.007 102 HB VAL 17 HB VAL 17 -6.423 7.042 -5.029 103 HG11 VAL 17 1HG1 VAL 17 -6.094 6.760 -2.503 104 HG12 VAL 17 2HG1 VAL 17 -7.576 7.541 -3.058 105 HG13 VAL 17 3HG1 VAL 17 -7.606 5.854 -2.541 106 HG21 VAL 17 3HG2 VAL 17 -5.031 5.222 -3.554 107 HG22 VAL 17 1HG2 VAL 17 -5.969 4.177 -4.621 108 HG23 VAL 17 2HG2 VAL 17 -4.907 5.408 -5.303 109 H CYS 18 H CYS 18 -6.819 3.605 -6.220 110 HA CYS 18 HA CYS 18 -7.070 4.736 -8.930 111 HB2 CYS 18 1HB CYS 18 -5.031 3.531 -9.523 112 HB3 CYS 18 2HB CYS 18 -4.737 4.593 -8.149 113 H GLY 19 H GLY 19 -7.575 1.980 -6.879 114 HA2 GLY 19 1HA GLY 19 -9.187 0.313 -7.299 115 HA3 GLY 19 2HA GLY 19 -9.134 0.724 -9.007 116 H LYS 20 H LYS 20 -6.120 0.330 -7.406 117 HA LYS 20 HA LYS 20 -5.254 -1.708 -9.129 118 HB2 LYS 20 1HB LYS 20 -4.208 -0.484 -6.614 119 HB3 LYS 20 2HB LYS 20 -3.471 -1.974 -7.189 120 HG2 LYS 20 1HG LYS 20 -3.818 0.197 -9.167 121 HG3 LYS 20 2HG LYS 20 -2.608 0.440 -7.905 122 HD2 LYS 20 1HD LYS 20 -1.550 -0.577 -9.811 123 HD3 LYS 20 2HD LYS 20 -1.622 -1.760 -8.504 124 HE2 LYS 20 1HE LYS 20 -3.225 -3.030 -9.563 125 HE3 LYS 20 2HE LYS 20 -3.828 -1.670 -10.509 126 HZ1 LYS 20 3HZ LYS 20 -1.091 -2.557 -11.016 127 HZ2 LYS 20 1HZ LYS 20 -2.247 -1.947 -12.091 128 HZ3 LYS 20 2HZ LYS 20 -2.343 -3.553 -11.567 129 H ALA 21 H ALA 21 -4.265 -3.812 -8.185 130 HA ALA 21 HA ALA 21 -5.846 -5.028 -6.081 131 HB1 ALA 21 3HB ALA 21 -5.873 -6.361 -8.772 132 HB2 ALA 21 1HB ALA 21 -6.854 -6.723 -7.351 133 HB3 ALA 21 2HB ALA 21 -7.140 -5.242 -8.267 134 H PHE 22 H PHE 22 -4.674 -6.473 -4.975 135 HA PHE 22 HA PHE 22 -2.397 -7.775 -6.276 136 HB2 PHE 22 1HB PHE 22 -2.110 -6.505 -3.556 137 HB3 PHE 22 2HB PHE 22 -0.843 -7.156 -4.591 138 HD1 PHE 22 HD2 PHE 22 -3.338 -4.427 -4.332 139 HD2 PHE 22 HD1 PHE 22 0.288 -5.785 -6.100 140 HE1 PHE 22 HE2 PHE 22 -2.961 -2.185 -5.272 141 HE2 PHE 22 HE1 PHE 22 0.672 -3.545 -7.042 142 HZ PHE 22 HZ PHE 22 -0.955 -1.742 -6.629 143 H ARG 23 H ARG 23 -2.882 -9.863 -6.083 144 HA ARG 23 HA ARG 23 -4.624 -11.113 -4.421 145 HB2 ARG 23 1HB ARG 23 -3.000 -13.137 -4.629 146 HB3 ARG 23 2HB ARG 23 -3.749 -12.480 -6.078 147 HG2 ARG 23 1HG ARG 23 -1.771 -11.443 -6.771 148 HG3 ARG 23 2HG ARG 23 -1.033 -11.591 -5.174 149 HD2 ARG 23 1HD ARG 23 -1.728 -13.910 -6.971 150 HD3 ARG 23 2HD ARG 23 -0.124 -13.190 -6.838 151 HE ARG 23 HE ARG 23 -1.202 -14.034 -4.317 152 HH11 ARG 23 1HH1 ARG 23 0.523 -15.055 -7.163 153 HH12 ARG 23 2HH1 ARG 23 1.300 -16.387 -6.373 154 HH21 ARG 23 1HH2 ARG 23 -0.186 -15.785 -3.266 155 HH22 ARG 23 2HH2 ARG 23 0.895 -16.802 -4.156 156 H VAL 24 H VAL 24 -1.514 -9.855 -3.584 157 HA VAL 24 HA VAL 24 -1.668 -11.124 -0.933 158 HB VAL 24 HB VAL 24 0.648 -10.843 -0.677 159 HG11 VAL 24 1HG1 VAL 24 1.215 -11.391 -3.393 160 HG12 VAL 24 2HG1 VAL 24 1.036 -12.534 -2.061 161 HG13 VAL 24 3HG1 VAL 24 -0.365 -12.084 -3.033 162 HG21 VAL 24 3HG2 VAL 24 2.047 -9.470 -2.101 163 HG22 VAL 24 1HG2 VAL 24 0.660 -9.062 -3.112 164 HG23 VAL 24 2HG2 VAL 24 0.731 -8.498 -1.442 165 H SER 25 H SER 25 -1.207 -9.833 0.940 166 HA SER 25 HA SER 25 -2.443 -7.240 0.799 167 HB2 SER 25 1HB SER 25 -2.985 -8.542 2.719 168 HB3 SER 25 2HB SER 25 -1.287 -8.859 3.072 169 HG SER 25 HG SER 25 -1.379 -7.151 4.276 170 H SER 26 H SER 26 0.793 -8.492 1.502 171 HA SER 26 HA SER 26 2.081 -6.188 2.281 172 HB2 SER 26 1HB SER 26 2.956 -8.643 1.964 173 HB3 SER 26 2HB SER 26 3.459 -8.053 0.380 174 HG SER 26 HG SER 26 4.523 -7.558 2.847 175 H HIS 27 H HIS 27 2.361 -7.445 -1.040 176 HA HIS 27 HA HIS 27 3.428 -5.326 -2.312 177 HB2 HIS 27 1HB HIS 27 1.228 -7.156 -3.270 178 HB3 HIS 27 2HB HIS 27 2.014 -5.986 -4.326 179 HD2 HIS 27 HD2 HIS 27 4.460 -7.715 -1.934 180 HE1 HIS 27 HE1 HIS 27 4.753 -9.690 -5.677 181 HE2 HIS 27 HE2 HIS 27 5.711 -9.476 -3.358 182 H LEU 28 H LEU 28 -0.080 -5.738 -1.827 183 HA LEU 28 HA LEU 28 -0.907 -3.334 -2.946 184 HB2 LEU 28 1HB LEU 28 -2.574 -4.898 -2.462 185 HB3 LEU 28 2HB LEU 28 -2.044 -5.079 -0.791 186 HG LEU 28 HG LEU 28 -2.954 -2.894 -0.241 187 HD11 LEU 28 1HD1 LEU 28 -2.790 -1.517 -2.064 188 HD12 LEU 28 2HD1 LEU 28 -4.503 -1.930 -2.126 189 HD13 LEU 28 3HD1 LEU 28 -3.360 -2.751 -3.188 190 HD21 LEU 28 3HD2 LEU 28 -5.227 -3.474 -0.266 191 HD22 LEU 28 1HD2 LEU 28 -4.367 -5.014 -0.286 192 HD23 LEU 28 2HD2 LEU 28 -5.070 -4.377 -1.773 193 H VAL 29 H VAL 29 0.299 -4.029 0.285 194 HA VAL 29 HA VAL 29 -0.345 -1.560 1.479 195 HB VAL 29 HB VAL 29 1.923 -3.446 2.133 196 HG11 VAL 29 1HG1 VAL 29 0.711 -1.611 4.134 197 HG12 VAL 29 2HG1 VAL 29 2.345 -2.272 4.048 198 HG13 VAL 29 3HG1 VAL 29 1.871 -0.948 2.983 199 HG21 VAL 29 3HG2 VAL 29 -0.140 -3.554 4.050 200 HG22 VAL 29 1HG2 VAL 29 -0.909 -3.660 2.466 201 HG23 VAL 29 2HG2 VAL 29 0.351 -4.809 2.913 202 H GLN 30 H GLN 30 2.744 -2.701 0.106 203 HA GLN 30 HA GLN 30 4.158 -0.317 0.410 204 HB2 GLN 30 1HB GLN 30 4.476 -2.433 -1.725 205 HB3 GLN 30 2HB GLN 30 5.664 -1.195 -1.339 206 HG2 GLN 30 1HG GLN 30 4.783 -3.514 0.347 207 HG3 GLN 30 2HG GLN 30 6.392 -3.162 -0.280 208 HE21 GLN 30 1HE2 GLN 30 3.969 -2.254 2.067 209 HE22 GLN 30 2HE2 GLN 30 5.034 -1.399 3.125 210 H HIS 31 H HIS 31 1.751 -1.231 -1.900 211 HA HIS 31 HA HIS 31 2.408 0.839 -3.796 212 HB2 HIS 31 1HB HIS 31 1.387 -0.876 -4.925 213 HB3 HIS 31 2HB HIS 31 0.336 -1.285 -3.571 214 HD1 HIS 31 HD1 HIS 31 0.651 1.297 -6.324 215 HD2 HIS 31 HD2 HIS 31 -2.198 -0.281 -3.745 216 HE1 HIS 31 HE1 HIS 31 -1.543 2.276 -7.066 217 H HIS 32 H HIS 32 0.465 0.531 -0.964 218 HA HIS 32 HA HIS 32 -1.363 2.640 -1.478 219 HB2 HIS 32 1HB HIS 32 -0.502 1.117 0.945 220 HB3 HIS 32 2HB HIS 32 -1.415 2.607 1.165 221 HD2 HIS 32 HD2 HIS 32 -2.059 -1.063 0.559 222 HE1 HIS 32 HE1 HIS 32 -5.628 0.951 -0.538 223 HE2 HIS 32 HE2 HIS 32 -4.584 -1.267 0.038 224 H SER 33 H SER 33 1.899 2.755 -1.167 225 HA SER 33 HA SER 33 1.868 5.419 0.088 226 HB2 SER 33 1HB SER 33 3.285 3.770 1.251 227 HB3 SER 33 2HB SER 33 4.192 3.504 -0.237 228 HG SER 33 HG SER 33 5.203 5.352 0.032 229 H VAL 34 H VAL 34 1.686 4.150 -2.845 230 HA VAL 34 HA VAL 34 3.753 5.684 -4.178 231 HB VAL 34 HB VAL 34 3.069 4.674 -6.191 232 HG11 VAL 34 1HG1 VAL 34 2.511 2.208 -5.301 233 HG12 VAL 34 2HG1 VAL 34 4.122 2.924 -5.215 234 HG13 VAL 34 3HG1 VAL 34 3.071 2.941 -3.798 235 HG21 VAL 34 3HG2 VAL 34 0.447 4.579 -4.874 236 HG22 VAL 34 1HG2 VAL 34 0.858 4.788 -6.577 237 HG23 VAL 34 2HG2 VAL 34 0.827 3.173 -5.869 238 H HIS 35 H HIS 35 0.399 5.997 -3.365 239 HA HIS 35 HA HIS 35 -0.135 8.102 -5.258 240 HB2 HIS 35 1HB HIS 35 -1.772 7.335 -2.837 241 HB3 HIS 35 2HB HIS 35 -2.318 8.222 -4.257 242 HD1 HIS 35 HD1 HIS 35 -1.559 6.524 -6.555 243 HD2 HIS 35 HD2 HIS 35 -2.890 4.888 -2.975 244 HE1 HIS 35 HE1 HIS 35 -2.409 4.230 -7.138 245 H SER 36 H SER 36 0.239 7.913 -1.723 246 HA SER 36 HA SER 36 -0.043 10.620 -1.153 247 HB2 SER 36 1HB SER 36 1.370 8.354 0.206 248 HB3 SER 36 2HB SER 36 1.577 9.994 0.819 249 HG SER 36 HG SER 36 -0.431 8.353 1.268 250 H GLY 37 H GLY 37 1.356 12.347 -1.018 251 HA2 GLY 37 1HA GLY 37 4.145 12.237 -1.294 252 HA3 GLY 37 2HA GLY 37 3.451 12.477 -2.891 253 H GLU 38 H GLU 38 3.979 13.875 0.256 254 HA GLU 38 HA GLU 38 2.488 16.192 0.121 255 HB2 GLU 38 1HB GLU 38 3.957 15.356 2.029 256 HB3 GLU 38 2HB GLU 38 5.304 16.114 1.192 257 HG2 GLU 38 1HG GLU 38 3.815 18.233 1.242 258 HG3 GLU 38 2HG GLU 38 2.951 17.381 2.520 259 H ARG 39 H ARG 39 2.382 17.667 -1.427 260 HA ARG 39 HA ARG 39 4.241 17.962 -3.502 261 HB2 ARG 39 1HB ARG 39 1.891 19.507 -2.527 262 HB3 ARG 39 2HB ARG 39 2.992 20.316 -3.634 263 HG2 ARG 39 1HG ARG 39 1.511 19.421 -5.115 264 HG3 ARG 39 2HG ARG 39 2.690 18.110 -5.030 265 HD2 ARG 39 1HD ARG 39 0.701 16.971 -4.773 266 HD3 ARG 39 2HD ARG 39 1.179 17.242 -3.097 267 HE ARG 39 HE ARG 39 -0.365 19.382 -3.608 268 HH11 ARG 39 1HH1 ARG 39 -0.838 15.971 -4.123 269 HH12 ARG 39 2HH1 ARG 39 -2.558 16.048 -3.931 270 HH21 ARG 39 1HH2 ARG 39 -2.629 19.496 -3.354 271 HH22 ARG 39 2HH2 ARG 39 -3.576 18.053 -3.494 272 HA PRO 40 HA PRO 40 7.426 20.379 -1.645 273 HB2 PRO 40 1HB PRO 40 8.546 21.368 -3.912 274 HB3 PRO 40 2HB PRO 40 8.749 19.691 -3.392 275 HG2 PRO 40 1HG PRO 40 6.876 20.828 -5.431 276 HG3 PRO 40 2HG PRO 40 7.856 19.353 -5.513 277 HD2 PRO 40 1HD PRO 40 5.213 19.315 -4.926 278 HD3 PRO 40 2HD PRO 40 6.358 18.137 -4.253 279 H SER 41 H SER 41 4.685 21.604 -2.991 280 HA SER 41 HA SER 41 5.439 24.349 -3.314 281 HB2 SER 41 1HB SER 41 2.996 24.752 -3.472 282 HB3 SER 41 2HB SER 41 3.530 23.454 -4.540 283 HG SER 41 HG SER 41 2.444 23.030 -1.954 284 H GLY 42 H GLY 42 6.524 23.890 -0.994 285 HA2 GLY 42 1HA GLY 42 6.572 24.411 1.248 286 HA3 GLY 42 2HA GLY 42 5.552 25.758 0.763 287 HA PRO 43 HA PRO 43 2.880 22.059 2.497 288 HB2 PRO 43 1HB PRO 43 4.136 20.773 4.532 289 HB3 PRO 43 2HB PRO 43 4.228 20.232 2.852 290 HG2 PRO 43 1HG PRO 43 6.200 21.831 4.438 291 HG3 PRO 43 2HG PRO 43 6.492 20.485 3.321 292 HD2 PRO 43 1HD PRO 43 6.850 23.072 2.609 293 HD3 PRO 43 2HD PRO 43 6.321 21.829 1.457 294 H SER 44 H SER 44 1.410 23.059 3.706 295 HA SER 44 HA SER 44 2.109 25.045 5.634 296 HB2 SER 44 1HB SER 44 -0.549 23.784 4.926 297 HB3 SER 44 2HB SER 44 -0.363 25.131 6.048 298 HG SER 44 HG SER 44 -0.368 26.369 4.364 299 H SER 45 H SER 45 1.827 25.017 7.865 300 HA SER 45 HA SER 45 0.920 22.666 9.240 301 HB2 SER 45 1HB SER 45 3.832 23.194 8.882 302 HB3 SER 45 2HB SER 45 3.292 22.629 10.463 303 HG SER 45 HG SER 45 2.803 21.356 7.972 304 H GLY 46 H GLY 46 1.118 22.921 11.633 305 HA2 GLY 46 1HA GLY 46 1.039 25.789 12.343 306 HA3 GLY 46 2HA GLY 46 -0.017 24.579 13.058 Start of MODEL 20 1 H1 GLY 1 H GLY 1 6.254 -12.119 -29.114 2 HA2 GLY 1 1HA GLY 1 6.024 -10.931 -26.927 3 HA3 GLY 1 2HA GLY 1 4.934 -9.841 -27.770 4 H SER 2 H SER 2 5.008 -12.335 -25.676 5 HA SER 2 HA SER 2 2.522 -13.557 -26.650 6 HB2 SER 2 1HB SER 2 4.690 -14.460 -24.795 7 HB3 SER 2 2HB SER 2 3.070 -15.129 -24.602 8 HG SER 2 HG SER 2 4.124 -15.060 -27.178 9 H SER 3 H SER 3 0.651 -12.972 -25.789 10 HA SER 3 HA SER 3 0.618 -11.264 -23.442 11 HB2 SER 3 1HB SER 3 -1.521 -12.122 -25.395 12 HB3 SER 3 2HB SER 3 -1.865 -11.143 -23.970 13 HG SER 3 HG SER 3 0.206 -10.299 -25.628 14 H GLY 4 H GLY 4 1.163 -12.709 -21.782 15 HA2 GLY 4 1HA GLY 4 -0.402 -15.101 -21.359 16 HA3 GLY 4 2HA GLY 4 0.866 -14.482 -20.312 17 H SER 5 H SER 5 -2.281 -15.213 -20.343 18 HA SER 5 HA SER 5 -3.714 -13.090 -19.347 19 HB2 SER 5 1HB SER 5 -3.868 -16.010 -18.567 20 HB3 SER 5 2HB SER 5 -5.075 -14.806 -18.116 21 HG SER 5 HG SER 5 -4.444 -15.828 -20.660 22 H SER 6 H SER 6 -3.989 -12.108 -17.391 23 HA SER 6 HA SER 6 -1.825 -12.424 -15.489 24 HB2 SER 6 1HB SER 6 -2.847 -10.428 -14.393 25 HB3 SER 6 2HB SER 6 -2.459 -10.163 -16.093 26 HG SER 6 HG SER 6 -5.027 -10.960 -15.202 27 H GLY 7 H GLY 7 -3.181 -14.717 -15.400 28 HA2 GLY 7 1HA GLY 7 -3.925 -16.124 -13.704 29 HA3 GLY 7 2HA GLY 7 -4.225 -14.712 -12.701 30 H THR 8 H THR 8 -5.916 -17.047 -13.138 31 HA THR 8 HA THR 8 -8.219 -15.802 -14.484 32 HB THR 8 HB THR 8 -7.575 -17.977 -15.420 33 HG1 THR 8 HG1 THR 8 -9.652 -18.880 -15.300 34 HG21 THR 8 3HG2 THR 8 -8.453 -19.425 -12.984 35 HG22 THR 8 1HG2 THR 8 -6.835 -18.724 -12.966 36 HG23 THR 8 2HG2 THR 8 -7.278 -19.888 -14.214 37 H GLY 9 H GLY 9 -7.542 -14.957 -11.893 38 HA2 GLY 9 1HA GLY 9 -9.998 -15.680 -10.508 39 HA3 GLY 9 2HA GLY 9 -8.505 -16.063 -9.664 40 H GLU 10 H GLU 10 -10.886 -13.828 -9.909 41 HA GLU 10 HA GLU 10 -9.576 -11.359 -9.885 42 HB2 GLU 10 1HB GLU 10 -11.584 -10.440 -9.019 43 HB3 GLU 10 2HB GLU 10 -12.065 -11.776 -10.056 44 HG2 GLU 10 1HG GLU 10 -11.958 -13.101 -7.766 45 HG3 GLU 10 2HG GLU 10 -12.253 -11.490 -7.114 46 H LYS 11 H LYS 11 -8.233 -10.459 -8.481 47 HA LYS 11 HA LYS 11 -7.387 -11.736 -6.124 48 HB2 LYS 11 1HB LYS 11 -7.055 -8.850 -6.965 49 HB3 LYS 11 2HB LYS 11 -6.167 -9.632 -5.664 50 HG2 LYS 11 1HG LYS 11 -5.049 -11.076 -7.189 51 HG3 LYS 11 2HG LYS 11 -6.086 -10.564 -8.523 52 HD2 LYS 11 1HD LYS 11 -5.171 -8.235 -8.173 53 HD3 LYS 11 2HD LYS 11 -3.982 -8.957 -7.087 54 HE2 LYS 11 1HE LYS 11 -4.384 -9.672 -9.990 55 HE3 LYS 11 2HE LYS 11 -3.090 -8.660 -9.351 56 HZ1 LYS 11 3HZ LYS 11 -2.439 -11.000 -9.752 57 HZ2 LYS 11 1HZ LYS 11 -3.530 -11.484 -8.554 58 HZ3 LYS 11 2HZ LYS 11 -2.211 -10.506 -8.151 59 HA PRO 12 HA PRO 12 -10.441 -10.529 -3.189 60 HB2 PRO 12 1HB PRO 12 -8.980 -10.825 -0.920 61 HB3 PRO 12 2HB PRO 12 -9.595 -12.195 -1.853 62 HG2 PRO 12 1HG PRO 12 -6.858 -10.983 -1.849 63 HG3 PRO 12 2HG PRO 12 -7.324 -12.694 -1.850 64 HD2 PRO 12 1HD PRO 12 -6.539 -11.396 -4.093 65 HD3 PRO 12 2HD PRO 12 -7.731 -12.711 -4.119 66 H TYR 13 H TYR 13 -7.200 -9.111 -2.896 67 HA TYR 13 HA TYR 13 -8.290 -6.787 -1.515 68 HB2 TYR 13 1HB TYR 13 -5.417 -7.041 -2.330 69 HB3 TYR 13 2HB TYR 13 -6.108 -6.242 -0.922 70 HD1 TYR 13 HD2 TYR 13 -7.901 -8.599 -0.093 71 HD2 TYR 13 HD1 TYR 13 -3.792 -8.347 -1.169 72 HE1 TYR 13 HE2 TYR 13 -7.428 -10.590 1.271 73 HE2 TYR 13 HE1 TYR 13 -3.308 -10.338 0.192 74 HH TYR 13 HH TYR 13 -5.699 -12.393 1.358 75 H LYS 14 H LYS 14 -8.320 -4.726 -2.335 76 HA LYS 14 HA LYS 14 -7.215 -4.134 -4.934 77 HB2 LYS 14 1HB LYS 14 -9.253 -5.151 -5.678 78 HB3 LYS 14 2HB LYS 14 -10.198 -4.261 -4.492 79 HG2 LYS 14 1HG LYS 14 -9.194 -2.184 -5.786 80 HG3 LYS 14 2HG LYS 14 -9.082 -3.369 -7.090 81 HD2 LYS 14 1HD LYS 14 -11.560 -3.897 -6.375 82 HD3 LYS 14 2HD LYS 14 -11.490 -2.256 -5.729 83 HE2 LYS 14 1HE LYS 14 -12.282 -1.920 -7.879 84 HE3 LYS 14 2HE LYS 14 -10.552 -1.639 -8.061 85 HZ1 LYS 14 3HZ LYS 14 -10.317 -3.916 -8.864 86 HZ2 LYS 14 1HZ LYS 14 -11.384 -3.031 -9.834 87 HZ3 LYS 14 2HZ LYS 14 -11.986 -4.154 -8.723 88 H CYS 15 H CYS 15 -6.676 -2.036 -5.078 89 HA CYS 15 HA CYS 15 -6.818 -0.341 -2.860 90 HB2 CYS 15 1HB CYS 15 -5.340 -0.312 -5.076 91 HB3 CYS 15 2HB CYS 15 -6.555 0.861 -5.574 92 H GLN 16 H GLN 16 -7.674 2.054 -3.272 93 HA GLN 16 HA GLN 16 -10.451 1.874 -4.225 94 HB2 GLN 16 1HB GLN 16 -9.544 3.291 -1.715 95 HB3 GLN 16 2HB GLN 16 -11.190 3.218 -2.327 96 HG2 GLN 16 1HG GLN 16 -9.596 0.809 -1.489 97 HG3 GLN 16 2HG GLN 16 -10.716 1.674 -0.438 98 HE21 GLN 16 1HE2 GLN 16 -10.725 -1.095 -1.477 99 HE22 GLN 16 2HE2 GLN 16 -12.259 -1.288 -2.248 100 H VAL 17 H VAL 17 -7.579 3.790 -3.732 101 HA VAL 17 HA VAL 17 -8.693 6.241 -4.710 102 HB VAL 17 HB VAL 17 -6.342 7.020 -4.807 103 HG11 VAL 17 1HG1 VAL 17 -5.875 6.607 -2.313 104 HG12 VAL 17 2HG1 VAL 17 -7.374 7.427 -2.755 105 HG13 VAL 17 3HG1 VAL 17 -7.397 5.717 -2.321 106 HG21 VAL 17 3HG2 VAL 17 -5.845 4.129 -4.429 107 HG22 VAL 17 1HG2 VAL 17 -4.910 5.337 -5.309 108 HG23 VAL 17 2HG2 VAL 17 -4.789 5.237 -3.553 109 H CYS 18 H CYS 18 -6.654 3.687 -6.085 110 HA CYS 18 HA CYS 18 -7.049 4.887 -8.745 111 HB2 CYS 18 1HB CYS 18 -5.051 3.733 -9.461 112 HB3 CYS 18 2HB CYS 18 -4.690 4.628 -7.989 113 H GLY 19 H GLY 19 -7.443 2.006 -6.811 114 HA2 GLY 19 1HA GLY 19 -9.139 0.406 -7.227 115 HA3 GLY 19 2HA GLY 19 -9.147 0.890 -8.916 116 H LYS 20 H LYS 20 -6.121 0.310 -7.339 117 HA LYS 20 HA LYS 20 -5.354 -1.654 -9.221 118 HB2 LYS 20 1HB LYS 20 -4.170 -0.474 -6.761 119 HB3 LYS 20 2HB LYS 20 -3.513 -2.008 -7.314 120 HG2 LYS 20 1HG LYS 20 -3.808 0.290 -9.205 121 HG3 LYS 20 2HG LYS 20 -2.425 0.185 -8.113 122 HD2 LYS 20 1HD LYS 20 -2.196 -2.226 -9.046 123 HD3 LYS 20 2HD LYS 20 -3.204 -1.628 -10.366 124 HE2 LYS 20 1HE LYS 20 -0.655 -0.296 -9.469 125 HE3 LYS 20 2HE LYS 20 -0.730 -1.490 -10.764 126 HZ1 LYS 20 3HZ LYS 20 -2.486 0.065 -11.755 127 HZ2 LYS 20 1HZ LYS 20 -0.862 0.528 -11.864 128 HZ3 LYS 20 2HZ LYS 20 -1.866 1.232 -10.698 129 H ALA 21 H ALA 21 -4.190 -3.728 -8.113 130 HA ALA 21 HA ALA 21 -5.849 -4.993 -6.115 131 HB1 ALA 21 3HB ALA 21 -6.501 -6.886 -7.534 132 HB2 ALA 21 1HB ALA 21 -7.196 -5.367 -8.099 133 HB3 ALA 21 2HB ALA 21 -5.808 -6.066 -8.933 134 H PHE 22 H PHE 22 -4.785 -6.585 -5.042 135 HA PHE 22 HA PHE 22 -2.386 -7.762 -6.203 136 HB2 PHE 22 1HB PHE 22 -2.177 -6.585 -3.449 137 HB3 PHE 22 2HB PHE 22 -0.888 -7.047 -4.556 138 HD1 PHE 22 HD2 PHE 22 -3.684 -4.615 -4.213 139 HD2 PHE 22 HD1 PHE 22 0.184 -5.423 -5.793 140 HE1 PHE 22 HE2 PHE 22 -3.514 -2.283 -4.979 141 HE2 PHE 22 HE1 PHE 22 0.361 -3.091 -6.561 142 HZ PHE 22 HZ PHE 22 -1.490 -1.519 -6.155 143 H ARG 23 H ARG 23 -2.731 -9.868 -5.986 144 HA ARG 23 HA ARG 23 -4.549 -11.124 -4.351 145 HB2 ARG 23 1HB ARG 23 -3.023 -13.169 -4.632 146 HB3 ARG 23 2HB ARG 23 -3.654 -12.416 -6.091 147 HG2 ARG 23 1HG ARG 23 -1.612 -11.615 -6.732 148 HG3 ARG 23 2HG ARG 23 -1.000 -11.540 -5.078 149 HD2 ARG 23 1HD ARG 23 -1.051 -14.067 -5.083 150 HD3 ARG 23 2HD ARG 23 -1.348 -13.970 -6.818 151 HE ARG 23 HE ARG 23 0.868 -12.461 -6.498 152 HH11 ARG 23 1HH1 ARG 23 0.015 -15.682 -5.488 153 HH12 ARG 23 2HH1 ARG 23 1.642 -16.273 -5.551 154 HH21 ARG 23 1HH2 ARG 23 3.014 -13.227 -6.584 155 HH22 ARG 23 2HH2 ARG 23 3.348 -14.876 -6.174 156 H VAL 24 H VAL 24 -1.553 -9.732 -3.480 157 HA VAL 24 HA VAL 24 -1.656 -11.064 -0.851 158 HB VAL 24 HB VAL 24 0.666 -10.868 -0.616 159 HG11 VAL 24 1HG1 VAL 24 1.214 -12.443 -2.096 160 HG12 VAL 24 2HG1 VAL 24 -0.391 -12.210 -2.793 161 HG13 VAL 24 3HG1 VAL 24 0.996 -11.346 -3.459 162 HG21 VAL 24 3HG2 VAL 24 2.086 -9.557 -2.157 163 HG22 VAL 24 1HG2 VAL 24 0.631 -8.981 -2.969 164 HG23 VAL 24 2HG2 VAL 24 0.926 -8.558 -1.282 165 H SER 25 H SER 25 -1.376 -9.809 1.011 166 HA SER 25 HA SER 25 -2.480 -7.190 0.870 167 HB2 SER 25 1HB SER 25 -2.928 -8.597 2.799 168 HB3 SER 25 2HB SER 25 -1.207 -8.683 3.176 169 HG SER 25 HG SER 25 -3.014 -6.772 3.819 170 H SER 26 H SER 26 0.726 -8.376 1.880 171 HA SER 26 HA SER 26 2.026 -6.084 2.477 172 HB2 SER 26 1HB SER 26 3.244 -8.117 2.627 173 HB3 SER 26 2HB SER 26 3.014 -8.470 0.914 174 HG SER 26 HG SER 26 4.885 -6.880 2.154 175 H HIS 27 H HIS 27 2.469 -7.415 -0.789 176 HA HIS 27 HA HIS 27 3.503 -5.340 -2.108 177 HB2 HIS 27 1HB HIS 27 1.242 -7.082 -3.108 178 HB3 HIS 27 2HB HIS 27 2.234 -6.054 -4.139 179 HD2 HIS 27 HD2 HIS 27 4.511 -7.667 -1.616 180 HE1 HIS 27 HE1 HIS 27 4.488 -10.259 -4.974 181 HE2 HIS 27 HE2 HIS 27 5.559 -9.739 -2.755 182 H LEU 28 H LEU 28 -0.032 -5.735 -1.804 183 HA LEU 28 HA LEU 28 -0.810 -3.345 -2.939 184 HB2 LEU 28 1HB LEU 28 -2.509 -4.867 -2.473 185 HB3 LEU 28 2HB LEU 28 -2.006 -5.056 -0.795 186 HG LEU 28 HG LEU 28 -2.875 -2.822 -0.285 187 HD11 LEU 28 1HD1 LEU 28 -4.334 -2.602 -2.830 188 HD12 LEU 28 2HD1 LEU 28 -2.602 -2.279 -2.914 189 HD13 LEU 28 3HD1 LEU 28 -3.620 -1.350 -1.813 190 HD21 LEU 28 3HD2 LEU 28 -4.390 -4.578 0.133 191 HD22 LEU 28 1HD2 LEU 28 -4.738 -4.793 -1.582 192 HD23 LEU 28 2HD2 LEU 28 -5.314 -3.354 -0.740 193 H VAL 29 H VAL 29 0.092 -3.989 0.426 194 HA VAL 29 HA VAL 29 -0.501 -1.499 1.519 195 HB VAL 29 HB VAL 29 1.743 -3.379 2.266 196 HG11 VAL 29 1HG1 VAL 29 2.347 -1.413 3.322 197 HG12 VAL 29 2HG1 VAL 29 0.674 -0.901 3.553 198 HG13 VAL 29 3HG1 VAL 29 1.346 -2.197 4.544 199 HG21 VAL 29 3HG2 VAL 29 0.000 -4.694 2.802 200 HG22 VAL 29 1HG2 VAL 29 -0.163 -3.616 4.188 201 HG23 VAL 29 2HG2 VAL 29 -1.152 -3.359 2.750 202 H GLN 30 H GLN 30 2.580 -2.644 0.147 203 HA GLN 30 HA GLN 30 3.994 -0.245 0.486 204 HB2 GLN 30 1HB GLN 30 4.375 -2.406 -1.594 205 HB3 GLN 30 2HB GLN 30 5.543 -1.145 -1.219 206 HG2 GLN 30 1HG GLN 30 4.647 -3.420 0.521 207 HG3 GLN 30 2HG GLN 30 6.263 -3.089 -0.101 208 HE21 GLN 30 1HE2 GLN 30 3.807 -2.069 2.173 209 HE22 GLN 30 2HE2 GLN 30 4.866 -1.195 3.221 210 H HIS 31 H HIS 31 1.671 -1.236 -1.887 211 HA HIS 31 HA HIS 31 2.355 0.797 -3.804 212 HB2 HIS 31 1HB HIS 31 1.351 -0.959 -4.894 213 HB3 HIS 31 2HB HIS 31 0.253 -1.300 -3.561 214 HD1 HIS 31 HD1 HIS 31 0.667 1.018 -6.502 215 HD2 HIS 31 HD2 HIS 31 -2.227 -0.108 -3.742 216 HE1 HIS 31 HE1 HIS 31 -1.478 2.044 -7.321 217 H HIS 32 H HIS 32 0.406 0.593 -0.979 218 HA HIS 32 HA HIS 32 -1.422 2.685 -1.583 219 HB2 HIS 32 1HB HIS 32 -0.604 1.219 0.888 220 HB3 HIS 32 2HB HIS 32 -1.504 2.723 1.061 221 HD2 HIS 32 HD2 HIS 32 -2.474 -0.693 1.310 222 HE1 HIS 32 HE1 HIS 32 -5.496 0.875 -1.222 223 HE2 HIS 32 HE2 HIS 32 -4.852 -0.994 0.339 224 H SER 33 H SER 33 1.829 2.808 -1.265 225 HA SER 33 HA SER 33 1.789 5.511 -0.092 226 HB2 SER 33 1HB SER 33 3.171 3.670 1.044 227 HB3 SER 33 2HB SER 33 4.247 3.783 -0.349 228 HG SER 33 HG SER 33 3.549 6.163 0.915 229 H VAL 34 H VAL 34 1.643 4.159 -2.972 230 HA VAL 34 HA VAL 34 3.783 5.583 -4.313 231 HB VAL 34 HB VAL 34 3.061 4.554 -6.324 232 HG11 VAL 34 1HG1 VAL 34 4.167 2.867 -5.270 233 HG12 VAL 34 2HG1 VAL 34 3.067 2.858 -3.890 234 HG13 VAL 34 3HG1 VAL 34 2.582 2.107 -5.411 235 HG21 VAL 34 3HG2 VAL 34 0.862 3.061 -6.032 236 HG22 VAL 34 1HG2 VAL 34 0.468 4.364 -4.911 237 HG23 VAL 34 2HG2 VAL 34 0.815 4.729 -6.601 238 H HIS 35 H HIS 35 0.404 5.997 -3.620 239 HA HIS 35 HA HIS 35 -0.018 8.062 -5.579 240 HB2 HIS 35 1HB HIS 35 -1.750 7.497 -3.175 241 HB3 HIS 35 2HB HIS 35 -2.223 8.236 -4.702 242 HD1 HIS 35 HD1 HIS 35 -1.600 6.377 -6.818 243 HD2 HIS 35 HD2 HIS 35 -2.693 4.981 -3.061 244 HE1 HIS 35 HE1 HIS 35 -2.408 4.023 -7.184 245 H SER 36 H SER 36 0.468 7.937 -2.069 246 HA SER 36 HA SER 36 0.277 10.754 -1.698 247 HB2 SER 36 1HB SER 36 1.328 10.227 0.548 248 HB3 SER 36 2HB SER 36 -0.170 9.366 0.194 249 HG SER 36 HG SER 36 1.484 7.998 1.039 250 H GLY 37 H GLY 37 1.671 11.796 -3.102 251 HA2 GLY 37 1HA GLY 37 4.218 12.423 -2.241 252 HA3 GLY 37 2HA GLY 37 4.422 11.094 -3.373 253 H GLU 38 H GLU 38 5.670 12.698 -4.592 254 HA GLU 38 HA GLU 38 3.895 14.269 -6.332 255 HB2 GLU 38 1HB GLU 38 5.632 16.027 -6.460 256 HB3 GLU 38 2HB GLU 38 4.962 15.851 -4.845 257 HG2 GLU 38 1HG GLU 38 7.553 14.611 -5.730 258 HG3 GLU 38 2HG GLU 38 7.428 16.172 -4.923 259 H ARG 39 H ARG 39 5.191 14.995 -8.356 260 HA ARG 39 HA ARG 39 7.160 13.010 -9.191 261 HB2 ARG 39 1HB ARG 39 4.522 13.463 -10.591 262 HB3 ARG 39 2HB ARG 39 5.888 12.638 -11.330 263 HG2 ARG 39 1HG ARG 39 4.928 11.659 -8.698 264 HG3 ARG 39 2HG ARG 39 3.947 11.322 -10.126 265 HD2 ARG 39 1HD ARG 39 6.871 10.653 -9.810 266 HD3 ARG 39 2HD ARG 39 5.539 9.512 -9.635 267 HE ARG 39 HE ARG 39 5.542 10.860 -12.165 268 HH11 ARG 39 1HH1 ARG 39 6.866 8.191 -10.363 269 HH12 ARG 39 2HH1 ARG 39 7.211 7.242 -11.771 270 HH21 ARG 39 1HH2 ARG 39 5.991 9.620 -14.026 271 HH22 ARG 39 2HH2 ARG 39 6.714 8.056 -13.854 272 HA PRO 40 HA PRO 40 8.952 16.530 -11.133 273 HB2 PRO 40 1HB PRO 40 10.553 15.264 -12.924 274 HB3 PRO 40 2HB PRO 40 10.902 15.316 -11.192 275 HG2 PRO 40 1HG PRO 40 9.646 13.130 -12.806 276 HG3 PRO 40 2HG PRO 40 10.873 13.016 -11.531 277 HD2 PRO 40 1HD PRO 40 8.254 12.492 -11.085 278 HD3 PRO 40 2HD PRO 40 9.314 13.188 -9.842 279 H SER 41 H SER 41 7.850 17.808 -12.473 280 HA SER 41 HA SER 41 7.516 17.110 -15.235 281 HB2 SER 41 1HB SER 41 5.036 17.417 -15.246 282 HB3 SER 41 2HB SER 41 5.556 15.966 -14.388 283 HG SER 41 HG SER 41 4.190 16.861 -12.985 284 H GLY 42 H GLY 42 7.801 18.904 -16.386 285 HA2 GLY 42 1HA GLY 42 7.401 21.489 -15.027 286 HA3 GLY 42 2HA GLY 42 8.535 21.206 -16.339 287 HA PRO 43 HA PRO 43 3.955 21.778 -17.936 288 HB2 PRO 43 1HB PRO 43 2.767 23.855 -16.654 289 HB3 PRO 43 2HB PRO 43 2.587 22.175 -16.133 290 HG2 PRO 43 1HG PRO 43 4.398 24.306 -15.064 291 HG3 PRO 43 2HG PRO 43 3.423 23.118 -14.179 292 HD2 PRO 43 1HD PRO 43 6.081 22.807 -14.587 293 HD3 PRO 43 2HD PRO 43 4.962 21.432 -14.496 294 H SER 44 H SER 44 4.750 22.605 -19.801 295 HA SER 44 HA SER 44 5.744 25.367 -19.805 296 HB2 SER 44 1HB SER 44 7.264 23.727 -20.784 297 HB3 SER 44 2HB SER 44 6.001 23.183 -21.888 298 HG SER 44 HG SER 44 7.448 25.593 -21.883 299 H SER 45 H SER 45 4.250 26.843 -20.236 300 HA SER 45 HA SER 45 2.150 26.191 -22.196 301 HB2 SER 45 1HB SER 45 2.135 27.992 -19.779 302 HB3 SER 45 2HB SER 45 0.928 28.147 -21.056 303 HG SER 45 HG SER 45 1.284 26.132 -19.172 304 H GLY 46 H GLY 46 4.199 28.846 -21.007 305 HA2 GLY 46 1HA GLY 46 3.654 30.835 -22.782 306 HA3 GLY 46 2HA GLY 46 5.276 30.510 -22.190
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