NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504729 | 2emx | 10226 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -5.735 -23.614 2.939 2 HA2 GLY 1 1HA GLY 1 -6.019 -26.051 1.963 3 HA3 GLY 1 2HA GLY 1 -7.189 -25.203 0.963 4 H SER 2 H SER 2 -5.595 -26.189 -0.653 5 HA SER 2 HA SER 2 -3.015 -25.160 -0.989 6 HB2 SER 2 1HB SER 2 -4.992 -26.526 -2.749 7 HB3 SER 2 2HB SER 2 -3.637 -25.709 -3.527 8 HG SER 2 HG SER 2 -3.524 -27.758 -1.569 9 H SER 3 H SER 3 -2.793 -22.982 -0.825 10 HA SER 3 HA SER 3 -3.821 -21.403 -3.048 11 HB2 SER 3 1HB SER 3 -5.475 -21.155 -1.194 12 HB3 SER 3 2HB SER 3 -4.188 -20.505 -0.180 13 HG SER 3 HG SER 3 -5.139 -19.405 -2.619 14 H GLY 4 H GLY 4 -2.223 -20.230 -3.873 15 HA2 GLY 4 1HA GLY 4 -0.007 -19.446 -2.081 16 HA3 GLY 4 2HA GLY 4 0.266 -20.027 -3.717 17 H SER 5 H SER 5 1.448 -17.785 -3.396 18 HA SER 5 HA SER 5 -0.384 -15.623 -4.176 19 HB2 SER 5 1HB SER 5 1.200 -15.336 -2.196 20 HB3 SER 5 2HB SER 5 2.511 -15.306 -3.376 21 HG SER 5 HG SER 5 1.826 -13.409 -4.122 22 H SER 6 H SER 6 -0.318 -14.760 -6.159 23 HA SER 6 HA SER 6 1.229 -16.031 -8.196 24 HB2 SER 6 1HB SER 6 -0.604 -13.627 -8.245 25 HB3 SER 6 2HB SER 6 0.173 -14.288 -9.684 26 HG SER 6 HG SER 6 -1.916 -15.303 -8.159 27 H GLY 7 H GLY 7 3.355 -15.671 -8.315 28 HA2 GLY 7 1HA GLY 7 5.277 -14.487 -8.822 29 HA3 GLY 7 2HA GLY 7 4.308 -13.022 -8.895 30 H GLU 8 H GLU 8 6.923 -13.373 -7.699 31 HA GLU 8 HA GLU 8 6.706 -13.524 -4.875 32 HB2 GLU 8 1HB GLU 8 8.806 -12.690 -6.815 33 HB3 GLU 8 2HB GLU 8 8.982 -12.166 -5.146 34 HG2 GLU 8 1HG GLU 8 10.184 -14.254 -5.635 35 HG3 GLU 8 2HG GLU 8 8.968 -14.439 -4.373 36 H LYS 9 H LYS 9 5.516 -12.139 -3.739 37 HA LYS 9 HA LYS 9 5.826 -9.264 -4.296 38 HB2 LYS 9 1HB LYS 9 3.311 -10.740 -3.504 39 HB3 LYS 9 2HB LYS 9 3.462 -8.988 -3.514 40 HG2 LYS 9 1HG LYS 9 4.073 -9.191 -5.962 41 HG3 LYS 9 2HG LYS 9 3.541 -10.870 -5.852 42 HD2 LYS 9 1HD LYS 9 1.368 -9.902 -4.879 43 HD3 LYS 9 2HD LYS 9 1.931 -8.358 -5.524 44 HE2 LYS 9 1HE LYS 9 1.700 -9.032 -7.703 45 HE3 LYS 9 2HE LYS 9 1.939 -10.735 -7.316 46 HZ1 LYS 9 3HZ LYS 9 -0.259 -10.860 -6.430 47 HZ2 LYS 9 1HZ LYS 9 -0.363 -10.165 -7.969 48 HZ3 LYS 9 2HZ LYS 9 -0.491 -9.192 -6.592 49 HA PRO 10 HA PRO 10 7.073 -10.201 0.072 50 HB2 PRO 10 1HB PRO 10 9.290 -8.636 0.017 51 HB3 PRO 10 2HB PRO 10 9.290 -10.321 -0.517 52 HG2 PRO 10 1HG PRO 10 9.127 -7.816 -2.148 53 HG3 PRO 10 2HG PRO 10 10.076 -9.284 -2.445 54 HD2 PRO 10 1HD PRO 10 7.738 -8.780 -3.714 55 HD3 PRO 10 2HD PRO 10 8.274 -10.426 -3.316 56 H PHE 11 H PHE 11 5.842 -7.667 -1.656 57 HA PHE 11 HA PHE 11 5.908 -5.854 0.665 58 HB2 PHE 11 1HB PHE 11 5.480 -5.192 -2.256 59 HB3 PHE 11 2HB PHE 11 5.427 -4.029 -0.935 60 HD1 PHE 11 HD1 PHE 11 7.646 -6.434 -2.675 61 HD2 PHE 11 HD2 PHE 11 7.379 -3.009 -0.163 62 HE1 PHE 11 HE1 PHE 11 10.073 -6.094 -2.887 63 HE2 PHE 11 HE2 PHE 11 9.805 -2.662 -0.371 64 HZ PHE 11 HZ PHE 11 11.156 -4.205 -1.735 65 H GLY 12 H GLY 12 4.076 -5.712 1.769 66 HA2 GLY 12 1HA GLY 12 1.535 -6.103 0.314 67 HA3 GLY 12 2HA GLY 12 1.822 -6.850 1.878 68 H CYS 13 H CYS 13 0.190 -4.447 0.481 69 HA CYS 13 HA CYS 13 0.670 -2.106 1.838 70 HB2 CYS 13 1HB CYS 13 -1.056 -2.512 0.037 71 HB3 CYS 13 2HB CYS 13 -2.098 -3.182 1.288 72 H SER 14 H SER 14 -0.663 -1.132 3.614 73 HA SER 14 HA SER 14 -0.856 -3.055 5.827 74 HB2 SER 14 1HB SER 14 -0.426 -0.061 5.827 75 HB3 SER 14 2HB SER 14 -0.665 -1.021 7.287 76 HG SER 14 HG SER 14 1.191 -2.307 6.219 77 H CYS 15 H CYS 15 -2.554 -0.411 4.226 78 HA CYS 15 HA CYS 15 -4.811 -0.464 5.972 79 HB2 CYS 15 1HB CYS 15 -4.500 0.689 3.193 80 HB3 CYS 15 2HB CYS 15 -5.875 0.974 4.253 81 HG CYS 15 HG CYS 15 -3.412 1.786 6.092 82 H CYS 16 H CYS 16 -4.105 -1.830 2.784 83 HA CYS 16 HA CYS 16 -6.591 -3.399 2.980 84 HB2 CYS 16 1HB CYS 16 -6.507 -3.601 0.535 85 HB3 CYS 16 2HB CYS 16 -6.538 -1.912 1.032 86 H GLU 17 H GLU 17 -6.208 -5.416 1.301 87 HA GLU 17 HA GLU 17 -3.924 -6.853 2.468 88 HB2 GLU 17 1HB GLU 17 -6.622 -7.737 1.497 89 HB3 GLU 17 2HB GLU 17 -5.293 -8.885 1.583 90 HG2 GLU 17 1HG GLU 17 -5.066 -7.977 4.025 91 HG3 GLU 17 2HG GLU 17 -6.743 -7.494 3.777 92 H LYS 18 H LYS 18 -3.793 -5.069 0.139 93 HA LYS 18 HA LYS 18 -3.433 -6.838 -2.133 94 HB2 LYS 18 1HB LYS 18 -3.126 -3.866 -1.740 95 HB3 LYS 18 2HB LYS 18 -2.632 -4.665 -3.227 96 HG2 LYS 18 1HG LYS 18 -4.872 -5.380 -3.664 97 HG3 LYS 18 2HG LYS 18 -5.413 -4.806 -2.086 98 HD2 LYS 18 1HD LYS 18 -5.261 -2.573 -2.706 99 HD3 LYS 18 2HD LYS 18 -4.144 -2.915 -4.029 100 HE2 LYS 18 1HE LYS 18 -6.291 -2.355 -4.950 101 HE3 LYS 18 2HE LYS 18 -5.987 -4.071 -5.219 102 HZ1 LYS 18 3HZ LYS 18 -8.273 -3.255 -4.309 103 HZ2 LYS 18 1HZ LYS 18 -7.468 -3.256 -2.820 104 HZ3 LYS 18 2HZ LYS 18 -7.582 -4.683 -3.721 105 H ALA 19 H ALA 19 -1.423 -6.999 -3.294 106 HA ALA 19 HA ALA 19 0.978 -6.398 -1.715 107 HB1 ALA 19 3HB ALA 19 1.898 -8.619 -2.228 108 HB2 ALA 19 1HB ALA 19 0.436 -8.713 -1.245 109 HB3 ALA 19 2HB ALA 19 0.363 -9.070 -2.971 110 H PHE 20 H PHE 20 2.840 -6.003 -2.903 111 HA PHE 20 HA PHE 20 2.533 -5.966 -5.830 112 HB2 PHE 20 1HB PHE 20 3.864 -3.809 -4.179 113 HB3 PHE 20 2HB PHE 20 3.678 -3.819 -5.930 114 HD1 PHE 20 HD2 PHE 20 1.666 -3.920 -2.800 115 HD2 PHE 20 HD1 PHE 20 1.874 -2.747 -6.886 116 HE1 PHE 20 HE2 PHE 20 -0.490 -2.757 -2.573 117 HE2 PHE 20 HE1 PHE 20 -0.282 -1.581 -6.665 118 HZ PHE 20 HZ PHE 20 -1.467 -1.586 -4.506 119 H SER 21 H SER 21 4.790 -5.496 -6.859 120 HA SER 21 HA SER 21 6.629 -7.452 -5.692 121 HB2 SER 21 1HB SER 21 6.543 -6.235 -8.463 122 HB3 SER 21 2HB SER 21 7.696 -7.457 -7.929 123 HG SER 21 HG SER 21 5.552 -8.590 -7.330 124 H SER 22 H SER 22 6.603 -4.163 -7.019 125 HA SER 22 HA SER 22 9.195 -3.692 -5.697 126 HB2 SER 22 1HB SER 22 8.915 -3.449 -8.287 127 HB3 SER 22 2HB SER 22 8.136 -1.921 -7.877 128 HG SER 22 HG SER 22 10.110 -1.203 -7.813 129 H LYS 23 H LYS 23 9.245 -2.291 -4.069 130 HA LYS 23 HA LYS 23 7.149 -1.263 -2.728 131 HB2 LYS 23 1HB LYS 23 9.651 -1.142 -2.162 132 HB3 LYS 23 2HB LYS 23 9.654 0.377 -3.048 133 HG2 LYS 23 1HG LYS 23 8.417 1.466 -1.463 134 HG3 LYS 23 2HG LYS 23 7.635 -0.012 -0.899 135 HD2 LYS 23 1HD LYS 23 10.073 -0.639 -0.153 136 HD3 LYS 23 2HD LYS 23 10.313 1.109 -0.208 137 HE2 LYS 23 1HE LYS 23 9.630 0.862 1.961 138 HE3 LYS 23 2HE LYS 23 8.074 1.124 1.175 139 HZ1 LYS 23 3HZ LYS 23 7.711 -0.716 2.508 140 HZ2 LYS 23 1HZ LYS 23 9.228 -1.394 2.189 141 HZ3 LYS 23 2HZ LYS 23 8.025 -1.418 1.001 142 H SER 24 H SER 24 8.960 0.578 -5.187 143 HA SER 24 HA SER 24 7.735 2.942 -5.282 144 HB2 SER 24 1HB SER 24 8.510 1.131 -7.554 145 HB3 SER 24 2HB SER 24 7.809 2.718 -7.870 146 HG SER 24 HG SER 24 9.559 3.674 -7.069 147 H TYR 25 H TYR 25 6.398 0.126 -7.019 148 HA TYR 25 HA TYR 25 4.022 1.276 -7.851 149 HB2 TYR 25 1HB TYR 25 4.799 -1.552 -7.207 150 HB3 TYR 25 2HB TYR 25 3.145 -1.168 -7.672 151 HD1 TYR 25 HD1 TYR 25 2.958 0.311 -9.873 152 HD2 TYR 25 HD2 TYR 25 6.281 -2.150 -8.871 153 HE1 TYR 25 HE1 TYR 25 3.600 0.222 -12.246 154 HE2 TYR 25 HE2 TYR 25 6.933 -2.245 -11.241 155 HH TYR 25 HH TYR 25 6.381 -0.448 -13.375 156 H LEU 26 H LEU 26 4.576 -0.642 -4.898 157 HA LEU 26 HA LEU 26 2.040 -0.488 -3.811 158 HB2 LEU 26 1HB LEU 26 3.633 -1.924 -2.814 159 HB3 LEU 26 2HB LEU 26 4.748 -0.593 -2.512 160 HG LEU 26 HG LEU 26 3.214 0.289 -0.808 161 HD11 LEU 26 1HD1 LEU 26 1.098 -0.463 -1.611 162 HD12 LEU 26 2HD1 LEU 26 1.366 -1.201 -0.033 163 HD13 LEU 26 3HD1 LEU 26 1.592 -2.152 -1.500 164 HD21 LEU 26 3HD2 LEU 26 3.620 -2.584 -0.116 165 HD22 LEU 26 1HD2 LEU 26 3.908 -1.140 0.854 166 HD23 LEU 26 2HD2 LEU 26 5.021 -1.564 -0.448 167 H LEU 27 H LEU 27 4.714 1.816 -3.535 168 HA LEU 27 HA LEU 27 3.606 3.567 -1.684 169 HB2 LEU 27 1HB LEU 27 5.355 4.225 -4.050 170 HB3 LEU 27 2HB LEU 27 5.070 5.276 -2.664 171 HG LEU 27 HG LEU 27 6.403 2.576 -2.492 172 HD11 LEU 27 1HD1 LEU 27 8.159 4.761 -1.970 173 HD12 LEU 27 2HD1 LEU 27 7.433 4.973 -3.563 174 HD13 LEU 27 3HD1 LEU 27 8.301 3.486 -3.181 175 HD21 LEU 27 3HD2 LEU 27 6.025 4.841 -0.545 176 HD22 LEU 27 1HD2 LEU 27 7.173 3.525 -0.300 177 HD23 LEU 27 2HD2 LEU 27 5.446 3.181 -0.402 178 H VAL 28 H VAL 28 3.576 3.960 -5.234 179 HA VAL 28 HA VAL 28 1.894 6.133 -5.401 180 HB VAL 28 HB VAL 28 1.938 3.797 -7.317 181 HG11 VAL 28 1HG1 VAL 28 0.130 5.729 -7.374 182 HG12 VAL 28 2HG1 VAL 28 1.443 6.598 -8.172 183 HG13 VAL 28 3HG1 VAL 28 0.845 5.083 -8.850 184 HG21 VAL 28 3HG2 VAL 28 3.934 5.778 -6.655 185 HG22 VAL 28 1HG2 VAL 28 4.057 4.362 -7.699 186 HG23 VAL 28 2HG2 VAL 28 3.459 5.888 -8.349 187 H HIS 29 H HIS 29 1.071 2.758 -4.903 188 HA HIS 29 HA HIS 29 -1.717 3.008 -5.343 189 HB2 HIS 29 1HB HIS 29 -0.910 0.811 -5.436 190 HB3 HIS 29 2HB HIS 29 0.006 0.984 -3.942 191 HD1 HIS 29 HD1 HIS 29 -3.625 0.840 -5.057 192 HD2 HIS 29 HD2 HIS 29 -1.247 -0.040 -1.766 193 HE1 HIS 29 HE1 HIS 29 -5.153 -0.279 -3.403 194 H GLN 30 H GLN 30 0.332 3.399 -2.511 195 HA GLN 30 HA GLN 30 -1.680 3.493 -0.558 196 HB2 GLN 30 1HB GLN 30 1.015 4.860 -0.619 197 HB3 GLN 30 2HB GLN 30 -0.006 4.723 0.806 198 HG2 GLN 30 1HG GLN 30 0.811 2.265 -0.672 199 HG3 GLN 30 2HG GLN 30 1.942 3.051 0.428 200 HE21 GLN 30 1HE2 GLN 30 1.193 0.524 0.955 201 HE22 GLN 30 2HE2 GLN 30 0.138 0.472 2.322 202 H GLN 31 H GLN 31 -0.485 5.898 -2.795 203 HA GLN 31 HA GLN 31 -1.382 8.242 -1.653 204 HB2 GLN 31 1HB GLN 31 -1.168 7.354 -4.515 205 HB3 GLN 31 2HB GLN 31 -1.775 8.954 -4.111 206 HG2 GLN 31 1HG GLN 31 0.724 8.656 -4.656 207 HG3 GLN 31 2HG GLN 31 0.257 9.667 -3.289 208 HE21 GLN 31 1HE2 GLN 31 2.470 7.541 -4.207 209 HE22 GLN 31 2HE2 GLN 31 2.837 6.776 -2.703 210 H THR 32 H THR 32 -3.209 5.787 -3.382 211 HA THR 32 HA THR 32 -5.600 7.170 -3.766 212 HB THR 32 HB THR 32 -6.696 5.003 -3.923 213 HG1 THR 32 HG1 THR 32 -5.375 4.154 -2.058 214 HG21 THR 32 3HG2 THR 32 -5.755 4.801 -5.930 215 HG22 THR 32 1HG2 THR 32 -4.350 4.023 -5.202 216 HG23 THR 32 2HG2 THR 32 -4.389 5.776 -5.388 217 H HIS 33 H HIS 33 -4.407 5.392 -0.959 218 HA HIS 33 HA HIS 33 -6.797 5.511 0.549 219 HB2 HIS 33 1HB HIS 33 -3.907 5.095 1.285 220 HB3 HIS 33 2HB HIS 33 -5.168 5.164 2.513 221 HD1 HIS 33 HD1 HIS 33 -7.334 3.445 1.561 222 HD2 HIS 33 HD2 HIS 33 -3.359 2.506 0.800 223 HE1 HIS 33 HE1 HIS 33 -7.303 0.971 1.108 224 H ALA 34 H ALA 34 -4.529 7.890 -0.287 225 HA ALA 34 HA ALA 34 -5.141 9.581 2.014 226 HB1 ALA 34 3HB ALA 34 -3.262 9.994 -0.307 227 HB2 ALA 34 1HB ALA 34 -3.484 11.128 1.025 228 HB3 ALA 34 2HB ALA 34 -2.829 9.520 1.335 229 H GLU 35 H GLU 35 -6.960 8.818 -0.377 230 HA GLU 35 HA GLU 35 -8.128 11.463 -0.629 231 HB2 GLU 35 1HB GLU 35 -6.450 11.008 -2.561 232 HB3 GLU 35 2HB GLU 35 -7.688 9.914 -3.163 233 HG2 GLU 35 1HG GLU 35 -8.052 11.930 -4.284 234 HG3 GLU 35 2HG GLU 35 -9.285 11.876 -3.025 235 H GLU 36 H GLU 36 -10.309 11.413 -1.485 236 HA GLU 36 HA GLU 36 -12.437 10.598 -1.379 237 HB2 GLU 36 1HB GLU 36 -11.333 9.482 -3.466 238 HB3 GLU 36 2HB GLU 36 -11.412 8.014 -2.501 239 HG2 GLU 36 1HG GLU 36 -13.356 7.948 -3.755 240 HG3 GLU 36 2HG GLU 36 -13.893 8.580 -2.199 241 H LYS 37 H LYS 37 -10.612 10.033 0.894 242 HA LYS 37 HA LYS 37 -10.738 7.592 2.049 243 HB2 LYS 37 1HB LYS 37 -11.241 10.270 3.352 244 HB3 LYS 37 2HB LYS 37 -10.989 8.782 4.256 245 HG2 LYS 37 1HG LYS 37 -8.956 9.544 2.232 246 HG3 LYS 37 2HG LYS 37 -9.016 10.455 3.743 247 HD2 LYS 37 1HD LYS 37 -9.104 8.029 4.789 248 HD3 LYS 37 2HD LYS 37 -8.326 7.598 3.264 249 HE2 LYS 37 1HE LYS 37 -6.497 8.043 4.583 250 HE3 LYS 37 2HE LYS 37 -6.765 9.618 3.837 251 HZ1 LYS 37 3HZ LYS 37 -6.394 9.843 6.201 252 HZ2 LYS 37 1HZ LYS 37 -7.678 8.795 6.540 253 HZ3 LYS 37 2HZ LYS 37 -7.979 10.297 5.824 254 HA PRO 38 HA PRO 38 -14.948 6.414 2.532 255 HB2 PRO 38 1HB PRO 38 -14.718 4.744 4.660 256 HB3 PRO 38 2HB PRO 38 -14.155 4.318 3.039 257 HG2 PRO 38 1HG PRO 38 -12.591 5.333 5.381 258 HG3 PRO 38 2HG PRO 38 -12.183 4.039 4.239 259 HD2 PRO 38 1HD PRO 38 -11.142 6.532 4.049 260 HD3 PRO 38 2HD PRO 38 -11.460 5.519 2.626 261 H SER 39 H SER 39 -13.196 7.516 5.402 262 HA SER 39 HA SER 39 -15.462 7.930 7.038 263 HB2 SER 39 1HB SER 39 -13.280 7.786 8.052 264 HB3 SER 39 2HB SER 39 -12.700 9.161 7.112 265 HG SER 39 HG SER 39 -13.873 10.517 8.338 266 H GLY 40 H GLY 40 -17.061 9.050 5.958 267 HA2 GLY 40 1HA GLY 40 -16.574 11.927 5.701 268 HA3 GLY 40 2HA GLY 40 -17.179 11.074 4.289 269 HA PRO 41 HA PRO 41 -20.669 12.525 7.136 270 HB2 PRO 41 1HB PRO 41 -21.712 14.401 5.473 271 HB3 PRO 41 2HB PRO 41 -20.462 14.765 6.668 272 HG2 PRO 41 1HG PRO 41 -20.184 14.260 3.731 273 HG3 PRO 41 2HG PRO 41 -19.397 15.493 4.733 274 HD2 PRO 41 1HD PRO 41 -18.147 13.212 3.980 275 HD3 PRO 41 2HD PRO 41 -17.814 14.018 5.526 276 H SER 42 H SER 42 -20.166 11.145 4.114 277 HA SER 42 HA SER 42 -21.412 9.646 2.920 278 HB2 SER 42 1HB SER 42 -23.786 10.177 4.694 279 HB3 SER 42 2HB SER 42 -23.373 8.703 3.818 280 HG SER 42 HG SER 42 -22.692 8.197 5.778 281 H SER 43 H SER 43 -21.128 12.050 1.855 282 HA SER 43 HA SER 43 -23.809 12.784 0.874 283 HB2 SER 43 1HB SER 43 -22.853 15.023 0.374 284 HB3 SER 43 2HB SER 43 -22.797 14.633 2.093 285 HG SER 43 HG SER 43 -20.565 13.831 1.502 286 H GLY 44 H GLY 44 -24.194 12.208 -1.153 287 HA2 GLY 44 1HA GLY 44 -22.337 11.016 -2.857 288 HA3 GLY 44 2HA GLY 44 -23.882 11.682 -3.365 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.055 -1.227 -23.398 2 HA2 GLY 1 1HA GLY 1 3.917 0.163 -22.091 3 HA3 GLY 1 2HA GLY 1 3.554 -1.541 -22.319 4 H SER 2 H SER 2 3.892 -0.109 -19.826 5 HA SER 2 HA SER 2 6.272 -0.286 -18.536 6 HB2 SER 2 1HB SER 2 5.072 -0.514 -16.477 7 HB3 SER 2 2HB SER 2 4.053 0.436 -17.557 8 HG SER 2 HG SER 2 2.729 -1.276 -17.837 9 H SER 3 H SER 3 7.088 -1.919 -16.979 10 HA SER 3 HA SER 3 6.456 -4.687 -17.648 11 HB2 SER 3 1HB SER 3 8.329 -3.850 -19.162 12 HB3 SER 3 2HB SER 3 9.321 -3.736 -17.709 13 HG SER 3 HG SER 3 8.027 -6.087 -18.639 14 H GLY 4 H GLY 4 7.376 -6.232 -16.130 15 HA2 GLY 4 1HA GLY 4 8.817 -5.528 -13.833 16 HA3 GLY 4 2HA GLY 4 7.105 -5.396 -13.454 17 H SER 5 H SER 5 9.761 -7.504 -13.887 18 HA SER 5 HA SER 5 8.665 -9.944 -14.464 19 HB2 SER 5 1HB SER 5 11.079 -9.553 -14.089 20 HB3 SER 5 2HB SER 5 10.776 -9.417 -12.357 21 HG SER 5 HG SER 5 10.271 -11.701 -13.968 22 H SER 6 H SER 6 6.701 -10.500 -13.690 23 HA SER 6 HA SER 6 5.913 -10.073 -10.975 24 HB2 SER 6 1HB SER 6 4.694 -11.470 -13.336 25 HB3 SER 6 2HB SER 6 3.997 -11.679 -11.729 26 HG SER 6 HG SER 6 4.434 -9.198 -13.041 27 H GLY 7 H GLY 7 5.172 -11.849 -9.547 28 HA2 GLY 7 1HA GLY 7 5.656 -14.493 -9.639 29 HA3 GLY 7 2HA GLY 7 7.263 -13.847 -9.346 30 H GLU 8 H GLU 8 7.681 -12.737 -7.380 31 HA GLU 8 HA GLU 8 5.819 -13.503 -5.237 32 HB2 GLU 8 1HB GLU 8 8.270 -14.332 -5.309 33 HB3 GLU 8 2HB GLU 8 8.682 -12.698 -4.808 34 HG2 GLU 8 1HG GLU 8 8.551 -13.689 -2.775 35 HG3 GLU 8 2HG GLU 8 6.872 -13.181 -2.954 36 H LYS 9 H LYS 9 4.887 -11.997 -3.992 37 HA LYS 9 HA LYS 9 5.711 -9.197 -4.394 38 HB2 LYS 9 1HB LYS 9 3.032 -10.479 -4.020 39 HB3 LYS 9 2HB LYS 9 3.271 -8.820 -3.488 40 HG2 LYS 9 1HG LYS 9 2.375 -8.726 -5.674 41 HG3 LYS 9 2HG LYS 9 4.083 -8.297 -5.803 42 HD2 LYS 9 1HD LYS 9 3.687 -9.778 -7.586 43 HD3 LYS 9 2HD LYS 9 4.489 -10.753 -6.353 44 HE2 LYS 9 1HE LYS 9 2.706 -12.076 -7.129 45 HE3 LYS 9 2HE LYS 9 2.161 -11.421 -5.585 46 HZ1 LYS 9 3HZ LYS 9 1.512 -9.941 -8.029 47 HZ2 LYS 9 1HZ LYS 9 0.641 -10.074 -6.585 48 HZ3 LYS 9 2HZ LYS 9 0.639 -11.351 -7.694 49 HA PRO 10 HA PRO 10 6.638 -10.224 0.026 50 HB2 PRO 10 1HB PRO 10 8.992 -8.873 0.080 51 HB3 PRO 10 2HB PRO 10 8.859 -10.550 -0.461 52 HG2 PRO 10 1HG PRO 10 9.007 -8.042 -2.088 53 HG3 PRO 10 2HG PRO 10 9.828 -9.593 -2.345 54 HD2 PRO 10 1HD PRO 10 7.608 -8.873 -3.720 55 HD3 PRO 10 2HD PRO 10 7.968 -10.561 -3.304 56 H PHE 11 H PHE 11 5.817 -7.547 -1.777 57 HA PHE 11 HA PHE 11 5.976 -5.729 0.529 58 HB2 PHE 11 1HB PHE 11 5.509 -5.085 -2.391 59 HB3 PHE 11 2HB PHE 11 5.642 -3.908 -1.088 60 HD1 PHE 11 HD1 PHE 11 7.470 -6.335 -3.145 61 HD2 PHE 11 HD2 PHE 11 7.765 -3.302 -0.173 62 HE1 PHE 11 HE1 PHE 11 9.907 -6.250 -3.478 63 HE2 PHE 11 HE2 PHE 11 10.202 -3.212 -0.502 64 HZ PHE 11 HZ PHE 11 11.275 -4.686 -2.157 65 H GLY 12 H GLY 12 4.182 -5.523 1.682 66 HA2 GLY 12 1HA GLY 12 1.591 -5.705 0.272 67 HA3 GLY 12 2HA GLY 12 1.851 -6.457 1.839 68 H CYS 13 H CYS 13 0.281 -4.024 0.524 69 HA CYS 13 HA CYS 13 0.981 -1.679 1.806 70 HB2 CYS 13 1HB CYS 13 -0.790 -1.873 0.084 71 HB3 CYS 13 2HB CYS 13 -1.829 -2.661 1.267 72 H SER 14 H SER 14 -0.006 -0.611 3.664 73 HA SER 14 HA SER 14 -0.253 -2.475 5.902 74 HB2 SER 14 1HB SER 14 1.303 -0.355 5.783 75 HB3 SER 14 2HB SER 14 -0.167 0.499 6.250 76 HG SER 14 HG SER 14 -0.278 -1.130 7.998 77 H CYS 15 H CYS 15 -2.011 0.100 4.269 78 HA CYS 15 HA CYS 15 -4.166 0.209 6.123 79 HB2 CYS 15 1HB CYS 15 -4.057 1.065 3.222 80 HB3 CYS 15 2HB CYS 15 -5.326 1.494 4.363 81 HG CYS 15 HG CYS 15 -3.515 2.904 6.056 82 H CYS 16 H CYS 16 -3.657 -1.473 3.049 83 HA CYS 16 HA CYS 16 -6.084 -3.052 3.603 84 HB2 CYS 16 1HB CYS 16 -6.262 -3.411 1.168 85 HB3 CYS 16 2HB CYS 16 -6.352 -1.704 1.589 86 H GLU 17 H GLU 17 -5.850 -5.161 2.030 87 HA GLU 17 HA GLU 17 -3.416 -6.477 3.012 88 HB2 GLU 17 1HB GLU 17 -6.179 -7.416 2.386 89 HB3 GLU 17 2HB GLU 17 -4.852 -8.556 2.218 90 HG2 GLU 17 1HG GLU 17 -5.363 -6.983 4.726 91 HG3 GLU 17 2HG GLU 17 -6.044 -8.580 4.424 92 H LYS 18 H LYS 18 -3.624 -4.776 0.580 93 HA LYS 18 HA LYS 18 -3.434 -6.556 -1.668 94 HB2 LYS 18 1HB LYS 18 -2.940 -3.611 -1.289 95 HB3 LYS 18 2HB LYS 18 -2.576 -4.419 -2.808 96 HG2 LYS 18 1HG LYS 18 -4.979 -5.201 -2.817 97 HG3 LYS 18 2HG LYS 18 -5.251 -4.074 -1.487 98 HD2 LYS 18 1HD LYS 18 -5.851 -2.880 -3.417 99 HD3 LYS 18 2HD LYS 18 -4.235 -2.296 -3.012 100 HE2 LYS 18 1HE LYS 18 -4.261 -2.663 -5.354 101 HE3 LYS 18 2HE LYS 18 -3.336 -3.987 -4.646 102 HZ1 LYS 18 3HZ LYS 18 -6.084 -4.051 -5.735 103 HZ2 LYS 18 1HZ LYS 18 -5.512 -5.261 -4.700 104 HZ3 LYS 18 2HZ LYS 18 -4.751 -4.990 -6.185 105 H ALA 19 H ALA 19 -1.465 -6.468 -3.107 106 HA ALA 19 HA ALA 19 1.057 -6.136 -1.684 107 HB1 ALA 19 3HB ALA 19 1.835 -8.346 -2.029 108 HB2 ALA 19 1HB ALA 19 0.239 -8.486 -1.292 109 HB3 ALA 19 2HB ALA 19 0.438 -8.758 -3.024 110 H PHE 20 H PHE 20 2.780 -5.692 -3.008 111 HA PHE 20 HA PHE 20 2.268 -5.706 -5.907 112 HB2 PHE 20 1HB PHE 20 3.608 -3.515 -4.309 113 HB3 PHE 20 2HB PHE 20 3.511 -3.566 -6.066 114 HD1 PHE 20 HD2 PHE 20 1.535 -3.253 -2.968 115 HD2 PHE 20 HD1 PHE 20 1.561 -2.881 -7.209 116 HE1 PHE 20 HE2 PHE 20 -0.635 -2.097 -2.877 117 HE2 PHE 20 HE1 PHE 20 -0.609 -1.724 -7.123 118 HZ PHE 20 HZ PHE 20 -1.710 -1.332 -4.956 119 H SER 21 H SER 21 4.078 -6.004 -7.250 120 HA SER 21 HA SER 21 6.048 -7.754 -6.220 121 HB2 SER 21 1HB SER 21 5.206 -7.789 -8.572 122 HB3 SER 21 2HB SER 21 6.086 -6.290 -8.869 123 HG SER 21 HG SER 21 7.905 -7.745 -7.897 124 H SER 22 H SER 22 6.136 -4.356 -7.215 125 HA SER 22 HA SER 22 8.821 -4.148 -6.017 126 HB2 SER 22 1HB SER 22 8.762 -3.630 -8.430 127 HB3 SER 22 2HB SER 22 7.561 -2.375 -8.125 128 HG SER 22 HG SER 22 10.293 -2.399 -7.593 129 H LYS 23 H LYS 23 9.227 -2.591 -4.505 130 HA LYS 23 HA LYS 23 7.161 -1.709 -2.862 131 HB2 LYS 23 1HB LYS 23 9.646 -1.899 -2.324 132 HB3 LYS 23 2HB LYS 23 9.832 -0.329 -3.095 133 HG2 LYS 23 1HG LYS 23 8.044 0.483 -1.458 134 HG3 LYS 23 2HG LYS 23 8.352 -1.018 -0.582 135 HD2 LYS 23 1HD LYS 23 9.793 0.458 0.463 136 HD3 LYS 23 2HD LYS 23 10.844 -0.290 -0.742 137 HE2 LYS 23 1HE LYS 23 10.119 1.687 -2.246 138 HE3 LYS 23 2HE LYS 23 9.615 2.443 -0.735 139 HZ1 LYS 23 3HZ LYS 23 11.901 3.021 -1.434 140 HZ2 LYS 23 1HZ LYS 23 12.348 1.401 -1.238 141 HZ3 LYS 23 2HZ LYS 23 11.833 2.303 0.096 142 H SER 24 H SER 24 8.965 0.066 -5.355 143 HA SER 24 HA SER 24 7.971 2.587 -5.078 144 HB2 SER 24 1HB SER 24 8.790 0.979 -7.458 145 HB3 SER 24 2HB SER 24 8.012 2.538 -7.732 146 HG SER 24 HG SER 24 9.927 3.321 -7.390 147 H TYR 25 H TYR 25 6.420 -0.080 -6.842 148 HA TYR 25 HA TYR 25 4.163 1.326 -7.712 149 HB2 TYR 25 1HB TYR 25 4.639 -1.596 -7.147 150 HB3 TYR 25 2HB TYR 25 3.094 -1.004 -7.749 151 HD1 TYR 25 HD1 TYR 25 3.781 0.965 -9.729 152 HD2 TYR 25 HD2 TYR 25 5.713 -2.723 -8.854 153 HE1 TYR 25 HE1 TYR 25 4.640 0.876 -12.032 154 HE2 TYR 25 HE2 TYR 25 6.579 -2.822 -11.154 155 HH TYR 25 HH TYR 25 6.451 -1.922 -13.209 156 H LEU 26 H LEU 26 4.649 -0.640 -4.791 157 HA LEU 26 HA LEU 26 2.106 -0.462 -3.710 158 HB2 LEU 26 1HB LEU 26 3.676 -1.926 -2.717 159 HB3 LEU 26 2HB LEU 26 4.812 -0.614 -2.410 160 HG LEU 26 HG LEU 26 3.204 0.298 -0.738 161 HD11 LEU 26 1HD1 LEU 26 1.177 -0.565 -0.396 162 HD12 LEU 26 2HD1 LEU 26 1.782 -2.221 -0.419 163 HD13 LEU 26 3HD1 LEU 26 1.402 -1.400 -1.933 164 HD21 LEU 26 3HD2 LEU 26 3.815 -1.223 0.990 165 HD22 LEU 26 1HD2 LEU 26 5.137 -1.194 -0.177 166 HD23 LEU 26 2HD2 LEU 26 4.007 -2.547 -0.161 167 H LEU 27 H LEU 27 4.839 1.770 -3.324 168 HA LEU 27 HA LEU 27 3.690 3.537 -1.513 169 HB2 LEU 27 1HB LEU 27 5.619 4.098 -3.760 170 HB3 LEU 27 2HB LEU 27 5.247 5.222 -2.455 171 HG LEU 27 HG LEU 27 6.478 2.504 -2.029 172 HD11 LEU 27 1HD1 LEU 27 7.765 4.402 -3.362 173 HD12 LEU 27 2HD1 LEU 27 8.571 3.375 -2.176 174 HD13 LEU 27 3HD1 LEU 27 8.051 4.999 -1.727 175 HD21 LEU 27 3HD2 LEU 27 6.827 4.687 -0.091 176 HD22 LEU 27 1HD2 LEU 27 6.507 2.973 0.171 177 HD23 LEU 27 2HD2 LEU 27 5.183 4.064 -0.238 178 H VAL 28 H VAL 28 3.816 3.886 -5.063 179 HA VAL 28 HA VAL 28 2.251 6.145 -5.314 180 HB VAL 28 HB VAL 28 2.359 3.782 -7.193 181 HG11 VAL 28 1HG1 VAL 28 1.694 6.597 -7.976 182 HG12 VAL 28 2HG1 VAL 28 1.395 5.096 -8.855 183 HG13 VAL 28 3HG1 VAL 28 0.439 5.486 -7.425 184 HG21 VAL 28 3HG2 VAL 28 4.350 5.614 -6.442 185 HG22 VAL 28 1HG2 VAL 28 4.391 4.463 -7.779 186 HG23 VAL 28 2HG2 VAL 28 3.810 6.107 -8.047 187 H HIS 29 H HIS 29 1.246 2.787 -4.948 188 HA HIS 29 HA HIS 29 -1.481 3.103 -5.503 189 HB2 HIS 29 1HB HIS 29 -0.903 0.881 -5.389 190 HB3 HIS 29 2HB HIS 29 0.154 1.116 -4.000 191 HD1 HIS 29 HD1 HIS 29 -3.493 0.728 -4.876 192 HD2 HIS 29 HD2 HIS 29 -1.009 0.653 -1.547 193 HE1 HIS 29 HE1 HIS 29 -4.926 -0.109 -2.986 194 H GLN 30 H GLN 30 0.169 3.067 -2.341 195 HA GLN 30 HA GLN 30 -1.807 3.449 -0.582 196 HB2 GLN 30 1HB GLN 30 0.920 4.619 -0.771 197 HB3 GLN 30 2HB GLN 30 -0.164 5.292 0.440 198 HG2 GLN 30 1HG GLN 30 -0.177 3.394 1.692 199 HG3 GLN 30 2HG GLN 30 0.091 2.342 0.303 200 HE21 GLN 30 1HE2 GLN 30 2.008 1.436 0.206 201 HE22 GLN 30 2HE2 GLN 30 3.464 2.045 0.908 202 H GLN 31 H GLN 31 -0.791 5.778 -2.977 203 HA GLN 31 HA GLN 31 -1.782 8.151 -2.142 204 HB2 GLN 31 1HB GLN 31 -1.920 6.852 -4.851 205 HB3 GLN 31 2HB GLN 31 -2.536 8.478 -4.588 206 HG2 GLN 31 1HG GLN 31 -0.226 8.995 -3.620 207 HG3 GLN 31 2HG GLN 31 0.280 7.484 -4.374 208 HE21 GLN 31 1HE2 GLN 31 0.555 7.391 -6.551 209 HE22 GLN 31 2HE2 GLN 31 0.423 8.761 -7.595 210 H THR 32 H THR 32 -3.740 5.642 -3.746 211 HA THR 32 HA THR 32 -6.196 6.790 -3.788 212 HB THR 32 HB THR 32 -5.756 4.505 -4.597 213 HG1 THR 32 HG1 THR 32 -7.836 4.170 -2.747 214 HG21 THR 32 3HG2 THR 32 -6.067 3.557 -1.760 215 HG22 THR 32 1HG2 THR 32 -4.483 3.859 -2.474 216 HG23 THR 32 2HG2 THR 32 -5.549 2.641 -3.175 217 H HIS 33 H HIS 33 -4.642 5.311 -0.973 218 HA HIS 33 HA HIS 33 -6.846 5.595 0.781 219 HB2 HIS 33 1HB HIS 33 -3.891 5.214 1.223 220 HB3 HIS 33 2HB HIS 33 -5.010 5.398 2.571 221 HD1 HIS 33 HD1 HIS 33 -7.256 3.617 2.041 222 HD2 HIS 33 HD2 HIS 33 -3.402 2.591 0.877 223 HE1 HIS 33 HE1 HIS 33 -7.272 1.114 1.795 224 H ALA 34 H ALA 34 -4.088 7.659 0.018 225 HA ALA 34 HA ALA 34 -4.265 9.561 1.998 226 HB1 ALA 34 3HB ALA 34 -2.858 9.298 -0.353 227 HB2 ALA 34 1HB ALA 34 -3.805 10.764 -0.610 228 HB3 ALA 34 2HB ALA 34 -2.733 10.639 0.785 229 H GLU 35 H GLU 35 -6.217 9.258 -0.927 230 HA GLU 35 HA GLU 35 -7.703 11.675 -0.301 231 HB2 GLU 35 1HB GLU 35 -7.962 9.676 -2.552 232 HB3 GLU 35 2HB GLU 35 -8.969 11.107 -2.382 233 HG2 GLU 35 1HG GLU 35 -7.071 12.546 -2.650 234 HG3 GLU 35 2HG GLU 35 -5.973 11.168 -2.637 235 H GLU 36 H GLU 36 -8.403 8.205 -0.700 236 HA GLU 36 HA GLU 36 -11.055 8.510 0.391 237 HB2 GLU 36 1HB GLU 36 -9.435 6.190 -0.609 238 HB3 GLU 36 2HB GLU 36 -10.920 5.913 0.291 239 HG2 GLU 36 1HG GLU 36 -10.783 7.630 -2.170 240 HG3 GLU 36 2HG GLU 36 -11.138 5.904 -2.207 241 H LYS 37 H LYS 37 -9.744 9.533 2.334 242 HA LYS 37 HA LYS 37 -9.256 7.404 4.312 243 HB2 LYS 37 1HB LYS 37 -7.759 8.840 5.452 244 HB3 LYS 37 2HB LYS 37 -7.353 8.985 3.747 245 HG2 LYS 37 1HG LYS 37 -8.757 11.058 3.683 246 HG3 LYS 37 2HG LYS 37 -8.888 10.940 5.439 247 HD2 LYS 37 1HD LYS 37 -6.182 10.848 4.194 248 HD3 LYS 37 2HD LYS 37 -7.012 12.402 4.305 249 HE2 LYS 37 1HE LYS 37 -5.929 12.418 6.310 250 HE3 LYS 37 2HE LYS 37 -7.410 11.595 6.794 251 HZ1 LYS 37 3HZ LYS 37 -5.071 10.626 7.392 252 HZ2 LYS 37 1HZ LYS 37 -5.167 9.973 5.834 253 HZ3 LYS 37 2HZ LYS 37 -6.352 9.600 6.981 254 HA PRO 38 HA PRO 38 -12.731 8.722 6.652 255 HB2 PRO 38 1HB PRO 38 -11.896 8.141 9.169 256 HB3 PRO 38 2HB PRO 38 -12.356 6.899 7.999 257 HG2 PRO 38 1HG PRO 38 -9.627 7.862 8.765 258 HG3 PRO 38 2HG PRO 38 -10.195 6.203 8.501 259 HD2 PRO 38 1HD PRO 38 -8.795 7.578 6.635 260 HD3 PRO 38 2HD PRO 38 -10.032 6.379 6.208 261 H SER 39 H SER 39 -12.573 10.986 6.211 262 HA SER 39 HA SER 39 -11.275 12.547 8.347 263 HB2 SER 39 1HB SER 39 -11.193 14.419 6.757 264 HB3 SER 39 2HB SER 39 -10.363 13.005 6.108 265 HG SER 39 HG SER 39 -13.068 13.289 5.508 266 H GLY 40 H GLY 40 -12.393 14.357 9.208 267 HA2 GLY 40 1HA GLY 40 -14.268 15.693 9.630 268 HA3 GLY 40 2HA GLY 40 -15.193 14.714 8.502 269 HA PRO 41 HA PRO 41 -16.163 13.643 13.007 270 HB2 PRO 41 1HB PRO 41 -18.711 14.577 13.039 271 HB3 PRO 41 2HB PRO 41 -17.318 15.572 13.480 272 HG2 PRO 41 1HG PRO 41 -18.824 15.459 10.895 273 HG3 PRO 41 2HG PRO 41 -18.225 16.874 11.779 274 HD2 PRO 41 1HD PRO 41 -16.932 15.842 9.635 275 HD3 PRO 41 2HD PRO 41 -16.077 16.620 10.982 276 H SER 42 H SER 42 -17.926 13.411 9.974 277 HA SER 42 HA SER 42 -18.808 10.718 10.765 278 HB2 SER 42 1HB SER 42 -20.925 11.071 9.563 279 HB3 SER 42 2HB SER 42 -20.737 12.241 10.869 280 HG SER 42 HG SER 42 -19.819 12.932 8.319 281 H SER 43 H SER 43 -19.142 9.242 8.991 282 HA SER 43 HA SER 43 -17.532 9.952 6.627 283 HB2 SER 43 1HB SER 43 -17.046 7.507 6.449 284 HB3 SER 43 2HB SER 43 -16.425 8.237 7.930 285 HG SER 43 HG SER 43 -18.178 6.221 7.644 286 H GLY 44 H GLY 44 -20.160 7.764 7.652 287 HA2 GLY 44 1HA GLY 44 -21.898 8.588 5.567 288 HA3 GLY 44 2HA GLY 44 -21.100 7.085 5.125 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -2.562 -18.987 -22.664 2 HA2 GLY 1 1HA GLY 1 -0.439 -18.107 -22.597 3 HA3 GLY 1 2HA GLY 1 -1.026 -16.968 -21.394 4 H SER 2 H SER 2 0.587 -17.042 -19.921 5 HA SER 2 HA SER 2 1.614 -19.608 -19.015 6 HB2 SER 2 1HB SER 2 2.363 -16.834 -18.067 7 HB3 SER 2 2HB SER 2 3.260 -18.327 -17.789 8 HG SER 2 HG SER 2 3.962 -16.887 -19.582 9 H SER 3 H SER 3 -0.126 -20.506 -17.912 10 HA SER 3 HA SER 3 -1.814 -19.319 -16.095 11 HB2 SER 3 1HB SER 3 -1.699 -21.778 -16.997 12 HB3 SER 3 2HB SER 3 -0.766 -22.071 -15.530 13 HG SER 3 HG SER 3 -2.515 -21.359 -14.315 14 H GLY 4 H GLY 4 -1.834 -19.066 -13.844 15 HA2 GLY 4 1HA GLY 4 -0.954 -18.589 -11.777 16 HA3 GLY 4 2HA GLY 4 0.302 -19.764 -12.137 17 H SER 5 H SER 5 2.315 -19.042 -12.390 18 HA SER 5 HA SER 5 4.057 -17.562 -12.297 19 HB2 SER 5 1HB SER 5 3.178 -17.593 -14.762 20 HB3 SER 5 2HB SER 5 2.649 -15.949 -14.401 21 HG SER 5 HG SER 5 4.665 -15.646 -15.105 22 H SER 6 H SER 6 2.140 -17.008 -10.351 23 HA SER 6 HA SER 6 2.579 -14.143 -10.009 24 HB2 SER 6 1HB SER 6 -0.123 -15.479 -9.989 25 HB3 SER 6 2HB SER 6 0.169 -13.967 -9.130 26 HG SER 6 HG SER 6 -0.625 -13.810 -11.368 27 H GLY 7 H GLY 7 2.994 -13.564 -7.934 28 HA2 GLY 7 1HA GLY 7 2.320 -14.148 -5.537 29 HA3 GLY 7 2HA GLY 7 2.935 -15.742 -5.948 30 H GLU 8 H GLU 8 4.418 -12.794 -7.106 31 HA GLU 8 HA GLU 8 6.722 -13.346 -5.354 32 HB2 GLU 8 1HB GLU 8 8.169 -12.492 -7.095 33 HB3 GLU 8 2HB GLU 8 7.152 -13.765 -7.755 34 HG2 GLU 8 1HG GLU 8 6.436 -10.867 -8.023 35 HG3 GLU 8 2HG GLU 8 7.500 -11.681 -9.168 36 H LYS 9 H LYS 9 4.556 -11.716 -4.550 37 HA LYS 9 HA LYS 9 5.691 -9.006 -4.692 38 HB2 LYS 9 1HB LYS 9 2.921 -9.838 -3.810 39 HB3 LYS 9 2HB LYS 9 3.498 -8.191 -4.029 40 HG2 LYS 9 1HG LYS 9 3.391 -8.306 -6.308 41 HG3 LYS 9 2HG LYS 9 3.627 -10.055 -6.341 42 HD2 LYS 9 1HD LYS 9 1.398 -10.487 -5.809 43 HD3 LYS 9 2HD LYS 9 1.137 -8.861 -5.174 44 HE2 LYS 9 1HE LYS 9 0.022 -9.005 -7.278 45 HE3 LYS 9 2HE LYS 9 1.448 -7.992 -7.496 46 HZ1 LYS 9 3HZ LYS 9 1.472 -10.886 -8.111 47 HZ2 LYS 9 1HZ LYS 9 2.568 -9.699 -8.612 48 HZ3 LYS 9 2HZ LYS 9 1.004 -9.730 -9.255 49 HA PRO 10 HA PRO 10 6.785 -10.430 -0.449 50 HB2 PRO 10 1HB PRO 10 9.150 -9.099 -0.384 51 HB3 PRO 10 2HB PRO 10 8.973 -10.710 -1.091 52 HG2 PRO 10 1HG PRO 10 9.053 -8.043 -2.449 53 HG3 PRO 10 2HG PRO 10 9.844 -9.560 -2.915 54 HD2 PRO 10 1HD PRO 10 7.559 -8.692 -4.079 55 HD3 PRO 10 2HD PRO 10 7.927 -10.416 -3.865 56 H PHE 11 H PHE 11 5.766 -7.636 -1.865 57 HA PHE 11 HA PHE 11 6.030 -6.099 0.635 58 HB2 PHE 11 1HB PHE 11 5.860 -5.155 -2.227 59 HB3 PHE 11 2HB PHE 11 5.635 -4.079 -0.852 60 HD1 PHE 11 HD1 PHE 11 8.034 -6.094 -2.738 61 HD2 PHE 11 HD2 PHE 11 7.492 -3.438 0.544 62 HE1 PHE 11 HE1 PHE 11 10.469 -5.772 -2.601 63 HE2 PHE 11 HE2 PHE 11 9.926 -3.110 0.686 64 HZ PHE 11 HZ PHE 11 11.418 -4.277 -0.888 65 H GLY 12 H GLY 12 4.216 -5.623 1.698 66 HA2 GLY 12 1HA GLY 12 1.662 -5.757 0.223 67 HA3 GLY 12 2HA GLY 12 1.855 -6.550 1.779 68 H CYS 13 H CYS 13 0.429 -4.018 0.448 69 HA CYS 13 HA CYS 13 1.113 -1.708 1.725 70 HB2 CYS 13 1HB CYS 13 -0.755 -1.970 0.094 71 HB3 CYS 13 2HB CYS 13 -1.727 -2.689 1.374 72 H SER 14 H SER 14 0.141 -0.621 3.607 73 HA SER 14 HA SER 14 0.056 -2.459 5.881 74 HB2 SER 14 1HB SER 14 1.662 -0.740 6.201 75 HB3 SER 14 2HB SER 14 0.545 0.510 5.652 76 HG SER 14 HG SER 14 0.441 0.676 7.805 77 H CYS 15 H CYS 15 -1.828 0.053 4.295 78 HA CYS 15 HA CYS 15 -3.907 0.092 6.257 79 HB2 CYS 15 1HB CYS 15 -3.249 1.892 4.477 80 HB3 CYS 15 2HB CYS 15 -4.315 0.974 3.421 81 HG CYS 15 HG CYS 15 -5.928 2.976 4.218 82 H CYS 16 H CYS 16 -3.488 -1.443 3.094 83 HA CYS 16 HA CYS 16 -5.911 -3.035 3.623 84 HB2 CYS 16 1HB CYS 16 -6.035 -3.379 1.178 85 HB3 CYS 16 2HB CYS 16 -6.136 -1.677 1.617 86 H GLU 17 H GLU 17 -5.673 -5.134 2.034 87 HA GLU 17 HA GLU 17 -3.248 -6.472 3.017 88 HB2 GLU 17 1HB GLU 17 -6.029 -7.402 2.444 89 HB3 GLU 17 2HB GLU 17 -4.708 -8.552 2.305 90 HG2 GLU 17 1HG GLU 17 -4.125 -8.299 4.585 91 HG3 GLU 17 2HG GLU 17 -5.184 -6.901 4.768 92 H LYS 18 H LYS 18 -3.389 -4.805 0.604 93 HA LYS 18 HA LYS 18 -3.263 -6.650 -1.621 94 HB2 LYS 18 1HB LYS 18 -2.945 -3.680 -1.317 95 HB3 LYS 18 2HB LYS 18 -2.451 -4.480 -2.804 96 HG2 LYS 18 1HG LYS 18 -4.727 -5.364 -3.066 97 HG3 LYS 18 2HG LYS 18 -5.212 -4.509 -1.600 98 HD2 LYS 18 1HD LYS 18 -4.821 -2.389 -2.611 99 HD3 LYS 18 2HD LYS 18 -4.024 -3.130 -4.001 100 HE2 LYS 18 1HE LYS 18 -6.213 -2.511 -4.694 101 HE3 LYS 18 2HE LYS 18 -6.201 -4.265 -4.519 102 HZ1 LYS 18 3HZ LYS 18 -7.397 -2.265 -2.693 103 HZ2 LYS 18 1HZ LYS 18 -7.136 -3.872 -2.231 104 HZ3 LYS 18 2HZ LYS 18 -8.174 -3.521 -3.519 105 H ALA 19 H ALA 19 -1.310 -6.423 -3.129 106 HA ALA 19 HA ALA 19 1.216 -5.999 -1.754 107 HB1 ALA 19 3HB ALA 19 0.341 -8.436 -1.446 108 HB2 ALA 19 1HB ALA 19 0.889 -8.639 -3.110 109 HB3 ALA 19 2HB ALA 19 2.032 -8.151 -1.858 110 H PHE 20 H PHE 20 2.966 -5.684 -3.143 111 HA PHE 20 HA PHE 20 2.378 -5.720 -6.021 112 HB2 PHE 20 1HB PHE 20 3.697 -3.441 -4.531 113 HB3 PHE 20 2HB PHE 20 3.495 -3.540 -6.277 114 HD1 PHE 20 HD2 PHE 20 1.427 -3.760 -3.178 115 HD2 PHE 20 HD1 PHE 20 1.731 -2.410 -7.204 116 HE1 PHE 20 HE2 PHE 20 -0.774 -2.679 -2.979 117 HE2 PHE 20 HE1 PHE 20 -0.469 -1.326 -7.010 118 HZ PHE 20 HZ PHE 20 -1.726 -1.460 -4.896 119 H SER 21 H SER 21 4.172 -5.996 -7.386 120 HA SER 21 HA SER 21 6.118 -7.766 -6.570 121 HB2 SER 21 1HB SER 21 5.458 -7.176 -8.950 122 HB3 SER 21 2HB SER 21 6.523 -5.777 -8.809 123 HG SER 21 HG SER 21 8.014 -7.130 -9.406 124 H SER 22 H SER 22 6.434 -4.245 -6.957 125 HA SER 22 HA SER 22 8.840 -4.370 -5.259 126 HB2 SER 22 1HB SER 22 8.266 -2.359 -7.448 127 HB3 SER 22 2HB SER 22 9.725 -2.439 -6.460 128 HG SER 22 HG SER 22 10.461 -3.937 -7.729 129 H LYS 23 H LYS 23 9.272 -2.328 -4.059 130 HA LYS 23 HA LYS 23 6.982 -1.578 -2.560 131 HB2 LYS 23 1HB LYS 23 9.323 -1.688 -1.673 132 HB3 LYS 23 2HB LYS 23 9.689 -0.233 -2.591 133 HG2 LYS 23 1HG LYS 23 7.788 0.867 -1.315 134 HG3 LYS 23 2HG LYS 23 7.834 -0.543 -0.253 135 HD2 LYS 23 1HD LYS 23 10.407 0.021 -0.176 136 HD3 LYS 23 2HD LYS 23 9.839 1.632 -0.622 137 HE2 LYS 23 1HE LYS 23 8.778 0.059 1.719 138 HE3 LYS 23 2HE LYS 23 10.078 1.243 1.840 139 HZ1 LYS 23 3HZ LYS 23 7.871 2.359 0.472 140 HZ2 LYS 23 1HZ LYS 23 8.597 2.869 1.912 141 HZ3 LYS 23 2HZ LYS 23 7.356 1.721 1.952 142 H SER 24 H SER 24 8.924 0.067 -5.020 143 HA SER 24 HA SER 24 7.925 2.608 -4.931 144 HB2 SER 24 1HB SER 24 9.655 1.568 -6.547 145 HB3 SER 24 2HB SER 24 8.268 1.211 -7.576 146 HG SER 24 HG SER 24 8.947 3.787 -6.593 147 H TYR 25 H TYR 25 6.573 0.007 -6.966 148 HA TYR 25 HA TYR 25 4.326 1.365 -7.857 149 HB2 TYR 25 1HB TYR 25 5.026 -1.515 -7.521 150 HB3 TYR 25 2HB TYR 25 3.348 -1.105 -7.860 151 HD1 TYR 25 HD1 TYR 25 3.223 0.830 -9.817 152 HD2 TYR 25 HD2 TYR 25 6.244 -2.133 -9.368 153 HE1 TYR 25 HE1 TYR 25 3.748 1.010 -12.213 154 HE2 TYR 25 HE2 TYR 25 6.777 -1.960 -11.763 155 HH TYR 25 HH TYR 25 6.019 -1.174 -13.766 156 H LEU 26 H LEU 26 4.733 -0.615 -4.945 157 HA LEU 26 HA LEU 26 2.102 -0.584 -4.039 158 HB2 LEU 26 1HB LEU 26 3.586 -2.038 -2.960 159 HB3 LEU 26 2HB LEU 26 4.743 -0.750 -2.628 160 HG LEU 26 HG LEU 26 3.156 0.190 -0.974 161 HD11 LEU 26 1HD1 LEU 26 1.459 -1.928 -2.078 162 HD12 LEU 26 2HD1 LEU 26 1.022 -0.421 -1.273 163 HD13 LEU 26 3HD1 LEU 26 1.468 -1.834 -0.317 164 HD21 LEU 26 3HD2 LEU 26 4.248 -2.581 -0.709 165 HD22 LEU 26 1HD2 LEU 26 3.338 -1.853 0.615 166 HD23 LEU 26 2HD2 LEU 26 4.810 -1.079 0.026 167 H LEU 27 H LEU 27 4.716 1.744 -3.499 168 HA LEU 27 HA LEU 27 3.448 3.409 -1.667 169 HB2 LEU 27 1HB LEU 27 5.526 3.887 -3.771 170 HB3 LEU 27 2HB LEU 27 4.908 5.219 -2.796 171 HG LEU 27 HG LEU 27 6.209 2.756 -1.643 172 HD11 LEU 27 1HD1 LEU 27 7.821 5.041 -1.300 173 HD12 LEU 27 2HD1 LEU 27 7.402 4.958 -3.010 174 HD13 LEU 27 3HD1 LEU 27 8.179 3.583 -2.225 175 HD21 LEU 27 3HD2 LEU 27 4.657 4.005 -0.173 176 HD22 LEU 27 1HD2 LEU 27 5.635 5.451 -0.419 177 HD23 LEU 27 2HD2 LEU 27 6.329 4.044 0.388 178 H VAL 28 H VAL 28 3.618 3.823 -5.208 179 HA VAL 28 HA VAL 28 2.020 6.033 -5.495 180 HB VAL 28 HB VAL 28 2.096 3.624 -7.317 181 HG11 VAL 28 1HG1 VAL 28 0.158 5.093 -7.725 182 HG12 VAL 28 2HG1 VAL 28 1.259 6.456 -7.932 183 HG13 VAL 28 3HG1 VAL 28 1.308 5.103 -9.062 184 HG21 VAL 28 3HG2 VAL 28 3.907 5.916 -6.867 185 HG22 VAL 28 1HG2 VAL 28 4.261 4.280 -7.422 186 HG23 VAL 28 2HG2 VAL 28 3.603 5.470 -8.546 187 H HIS 29 H HIS 29 1.033 2.698 -4.972 188 HA HIS 29 HA HIS 29 -1.722 3.046 -5.486 189 HB2 HIS 29 1HB HIS 29 -1.158 0.815 -5.454 190 HB3 HIS 29 2HB HIS 29 -0.060 1.001 -4.090 191 HD1 HIS 29 HD1 HIS 29 -3.721 0.625 -4.887 192 HD2 HIS 29 HD2 HIS 29 -1.174 0.535 -1.605 193 HE1 HIS 29 HE1 HIS 29 -5.114 -0.234 -2.977 194 H GLN 30 H GLN 30 0.114 3.047 -2.436 195 HA GLN 30 HA GLN 30 -1.844 3.380 -0.590 196 HB2 GLN 30 1HB GLN 30 0.933 4.420 -0.810 197 HB3 GLN 30 2HB GLN 30 -0.087 5.105 0.448 198 HG2 GLN 30 1HG GLN 30 -0.169 3.167 1.637 199 HG3 GLN 30 2HG GLN 30 0.022 2.152 0.209 200 HE21 GLN 30 1HE2 GLN 30 1.883 1.145 0.072 201 HE22 GLN 30 2HE2 GLN 30 3.383 1.668 0.750 202 H GLN 31 H GLN 31 -0.660 5.802 -2.843 203 HA GLN 31 HA GLN 31 -1.601 8.150 -1.890 204 HB2 GLN 31 1HB GLN 31 -1.720 7.056 -4.694 205 HB3 GLN 31 2HB GLN 31 -2.204 8.704 -4.315 206 HG2 GLN 31 1HG GLN 31 -0.021 9.283 -3.614 207 HG3 GLN 31 2HG GLN 31 0.500 7.599 -3.621 208 HE21 GLN 31 1HE2 GLN 31 1.315 10.152 -5.079 209 HE22 GLN 31 2HE2 GLN 31 1.417 9.660 -6.732 210 H THR 32 H THR 32 -3.539 5.560 -3.284 211 HA THR 32 HA THR 32 -5.979 6.813 -3.576 212 HB THR 32 HB THR 32 -7.032 4.620 -3.233 213 HG1 THR 32 HG1 THR 32 -6.082 3.241 -1.953 214 HG21 THR 32 3HG2 THR 32 -5.737 5.226 -5.341 215 HG22 THR 32 1HG2 THR 32 -6.036 3.511 -5.063 216 HG23 THR 32 2HG2 THR 32 -4.448 4.197 -4.717 217 H HIS 33 H HIS 33 -4.606 5.348 -0.650 218 HA HIS 33 HA HIS 33 -6.848 5.805 1.005 219 HB2 HIS 33 1HB HIS 33 -3.926 5.462 1.702 220 HB3 HIS 33 2HB HIS 33 -5.233 5.472 2.882 221 HD1 HIS 33 HD1 HIS 33 -7.250 3.602 1.886 222 HD2 HIS 33 HD2 HIS 33 -3.198 2.904 1.288 223 HE1 HIS 33 HE1 HIS 33 -7.046 1.128 1.484 224 H ALA 34 H ALA 34 -4.503 7.915 -0.267 225 HA ALA 34 HA ALA 34 -4.835 9.907 1.834 226 HB1 ALA 34 3HB ALA 34 -2.607 9.639 0.963 227 HB2 ALA 34 1HB ALA 34 -3.176 9.922 -0.683 228 HB3 ALA 34 2HB ALA 34 -3.218 11.228 0.502 229 H GLU 35 H GLU 35 -6.877 8.959 -0.333 230 HA GLU 35 HA GLU 35 -7.701 11.681 -1.099 231 HB2 GLU 35 1HB GLU 35 -7.550 9.190 -2.728 232 HB3 GLU 35 2HB GLU 35 -8.883 10.295 -3.036 233 HG2 GLU 35 1HG GLU 35 -7.322 12.095 -3.481 234 HG3 GLU 35 2HG GLU 35 -5.966 11.032 -3.108 235 H GLU 36 H GLU 36 -8.978 8.355 -0.870 236 HA GLU 36 HA GLU 36 -11.130 7.656 -0.401 237 HB2 GLU 36 1HB GLU 36 -9.820 7.912 1.778 238 HB3 GLU 36 2HB GLU 36 -10.735 9.391 2.030 239 HG2 GLU 36 1HG GLU 36 -11.830 7.691 3.245 240 HG3 GLU 36 2HG GLU 36 -12.824 8.024 1.827 241 H LYS 37 H LYS 37 -11.068 10.099 -1.985 242 HA LYS 37 HA LYS 37 -13.066 11.882 -0.970 243 HB2 LYS 37 1HB LYS 37 -12.981 12.894 -3.217 244 HB3 LYS 37 2HB LYS 37 -11.377 12.691 -2.522 245 HG2 LYS 37 1HG LYS 37 -11.494 10.412 -3.871 246 HG3 LYS 37 2HG LYS 37 -12.625 11.350 -4.850 247 HD2 LYS 37 1HD LYS 37 -9.836 12.247 -4.133 248 HD3 LYS 37 2HD LYS 37 -10.272 11.460 -5.652 249 HE2 LYS 37 1HE LYS 37 -11.690 13.934 -4.729 250 HE3 LYS 37 2HE LYS 37 -10.146 14.037 -5.574 251 HZ1 LYS 37 3HZ LYS 37 -11.637 12.322 -7.087 252 HZ2 LYS 37 1HZ LYS 37 -11.335 13.950 -7.432 253 HZ3 LYS 37 2HZ LYS 37 -12.749 13.506 -6.619 254 HA PRO 38 HA PRO 38 -16.749 9.849 -2.228 255 HB2 PRO 38 1HB PRO 38 -18.329 11.972 -2.837 256 HB3 PRO 38 2HB PRO 38 -17.896 11.541 -1.178 257 HG2 PRO 38 1HG PRO 38 -16.710 13.630 -2.965 258 HG3 PRO 38 2HG PRO 38 -17.123 13.734 -1.243 259 HD2 PRO 38 1HD PRO 38 -14.590 13.331 -2.112 260 HD3 PRO 38 2HD PRO 38 -15.196 12.654 -0.586 261 H SER 39 H SER 39 -14.731 11.323 -4.377 262 HA SER 39 HA SER 39 -15.901 11.912 -6.698 263 HB2 SER 39 1HB SER 39 -13.532 11.777 -6.676 264 HB3 SER 39 2HB SER 39 -13.556 10.068 -6.243 265 HG SER 39 HG SER 39 -13.916 9.542 -8.273 266 H GLY 40 H GLY 40 -17.881 11.063 -7.176 267 HA2 GLY 40 1HA GLY 40 -17.924 8.177 -7.812 268 HA3 GLY 40 2HA GLY 40 -19.292 8.994 -7.071 269 HA PRO 41 HA PRO 41 -20.930 9.604 -11.102 270 HB2 PRO 41 1HB PRO 41 -22.613 11.670 -10.581 271 HB3 PRO 41 2HB PRO 41 -22.938 10.012 -10.063 272 HG2 PRO 41 1HG PRO 41 -21.812 12.300 -8.495 273 HG3 PRO 41 2HG PRO 41 -23.028 11.103 -8.012 274 HD2 PRO 41 1HD PRO 41 -20.434 10.932 -7.256 275 HD3 PRO 41 2HD PRO 41 -21.442 9.498 -7.538 276 H SER 42 H SER 42 -20.124 10.601 -12.834 277 HA SER 42 HA SER 42 -18.914 13.265 -12.479 278 HB2 SER 42 1HB SER 42 -17.201 11.698 -13.058 279 HB3 SER 42 2HB SER 42 -18.185 11.003 -14.346 280 HG SER 42 HG SER 42 -17.110 13.630 -14.271 281 H SER 43 H SER 43 -19.491 14.906 -13.810 282 HA SER 43 HA SER 43 -21.913 15.180 -14.920 283 HB2 SER 43 1HB SER 43 -20.157 16.966 -14.769 284 HB3 SER 43 2HB SER 43 -19.433 16.309 -16.237 285 HG SER 43 HG SER 43 -21.399 18.045 -16.061 286 H GLY 44 H GLY 44 -19.114 13.762 -16.560 287 HA2 GLY 44 1HA GLY 44 -20.213 13.452 -19.105 288 HA3 GLY 44 2HA GLY 44 -18.966 12.422 -18.417 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -6.300 -24.617 -3.432 2 HA2 GLY 1 1HA GLY 1 -4.390 -25.829 -5.291 3 HA3 GLY 1 2HA GLY 1 -5.919 -25.077 -5.720 4 H SER 2 H SER 2 -5.259 -23.613 -7.206 5 HA SER 2 HA SER 2 -2.954 -22.180 -7.373 6 HB2 SER 2 1HB SER 2 -4.209 -20.481 -8.634 7 HB3 SER 2 2HB SER 2 -4.720 -22.109 -9.083 8 HG SER 2 HG SER 2 -6.630 -21.762 -8.224 9 H SER 3 H SER 3 -2.001 -21.323 -5.610 10 HA SER 3 HA SER 3 -3.201 -18.951 -4.460 11 HB2 SER 3 1HB SER 3 -3.143 -19.655 -2.180 12 HB3 SER 3 2HB SER 3 -3.999 -20.917 -3.065 13 HG SER 3 HG SER 3 -2.463 -22.273 -2.591 14 H GLY 4 H GLY 4 -1.657 -17.830 -2.970 15 HA2 GLY 4 1HA GLY 4 1.142 -18.593 -3.337 16 HA3 GLY 4 2HA GLY 4 0.640 -17.046 -4.002 17 H SER 5 H SER 5 2.518 -17.836 -1.783 18 HA SER 5 HA SER 5 1.245 -16.363 0.425 19 HB2 SER 5 1HB SER 5 1.977 -18.518 1.169 20 HB3 SER 5 2HB SER 5 3.549 -18.319 0.396 21 HG SER 5 HG SER 5 2.599 -16.658 2.489 22 H SER 6 H SER 6 1.634 -14.282 -0.341 23 HA SER 6 HA SER 6 2.865 -12.445 -1.010 24 HB2 SER 6 1HB SER 6 4.172 -13.411 1.534 25 HB3 SER 6 2HB SER 6 4.579 -11.867 0.786 26 HG SER 6 HG SER 6 2.431 -11.227 1.044 27 H GLY 7 H GLY 7 3.662 -14.630 -2.537 28 HA2 GLY 7 1HA GLY 7 6.525 -14.899 -2.491 29 HA3 GLY 7 2HA GLY 7 5.436 -15.530 -3.717 30 H GLU 8 H GLU 8 5.203 -14.458 -5.611 31 HA GLU 8 HA GLU 8 7.070 -12.870 -6.689 32 HB2 GLU 8 1HB GLU 8 5.019 -13.803 -7.832 33 HB3 GLU 8 2HB GLU 8 4.140 -12.401 -7.239 34 HG2 GLU 8 1HG GLU 8 5.943 -11.014 -8.416 35 HG3 GLU 8 2HG GLU 8 6.354 -12.512 -9.249 36 H LYS 9 H LYS 9 4.291 -11.686 -4.836 37 HA LYS 9 HA LYS 9 5.521 -9.014 -4.794 38 HB2 LYS 9 1HB LYS 9 2.676 -9.809 -4.143 39 HB3 LYS 9 2HB LYS 9 3.308 -8.168 -4.176 40 HG2 LYS 9 1HG LYS 9 3.560 -8.198 -6.513 41 HG3 LYS 9 2HG LYS 9 3.358 -9.950 -6.590 42 HD2 LYS 9 1HD LYS 9 1.075 -9.833 -6.315 43 HD3 LYS 9 2HD LYS 9 1.149 -8.281 -5.479 44 HE2 LYS 9 1HE LYS 9 1.431 -7.091 -7.472 45 HE3 LYS 9 2HE LYS 9 1.912 -8.530 -8.369 46 HZ1 LYS 9 3HZ LYS 9 -0.677 -8.901 -7.328 47 HZ2 LYS 9 1HZ LYS 9 -0.184 -8.857 -8.946 48 HZ3 LYS 9 2HZ LYS 9 -0.630 -7.428 -8.159 49 HA PRO 10 HA PRO 10 6.310 -10.677 -0.566 50 HB2 PRO 10 1HB PRO 10 8.733 -9.478 -0.316 51 HB3 PRO 10 2HB PRO 10 8.514 -11.047 -1.099 52 HG2 PRO 10 1HG PRO 10 8.807 -8.337 -2.336 53 HG3 PRO 10 2HG PRO 10 9.545 -9.874 -2.822 54 HD2 PRO 10 1HD PRO 10 7.377 -8.839 -4.071 55 HD3 PRO 10 2HD PRO 10 7.643 -10.587 -3.911 56 H PHE 11 H PHE 11 5.736 -7.685 -1.969 57 HA PHE 11 HA PHE 11 5.970 -6.243 0.577 58 HB2 PHE 11 1HB PHE 11 5.779 -5.346 -2.287 59 HB3 PHE 11 2HB PHE 11 5.422 -4.236 -0.968 60 HD1 PHE 11 HD1 PHE 11 8.053 -6.443 -2.356 61 HD2 PHE 11 HD2 PHE 11 7.140 -3.154 0.188 62 HE1 PHE 11 HE1 PHE 11 10.455 -5.966 -2.116 63 HE2 PHE 11 HE2 PHE 11 9.540 -2.672 0.431 64 HZ PHE 11 HZ PHE 11 11.201 -4.078 -0.722 65 H GLY 12 H GLY 12 4.219 -5.813 1.751 66 HA2 GLY 12 1HA GLY 12 1.586 -5.956 0.415 67 HA3 GLY 12 2HA GLY 12 1.872 -6.651 2.004 68 H CYS 13 H CYS 13 0.407 -4.177 0.565 69 HA CYS 13 HA CYS 13 1.168 -1.817 1.722 70 HB2 CYS 13 1HB CYS 13 -0.734 -2.168 0.108 71 HB3 CYS 13 2HB CYS 13 -1.710 -2.704 1.472 72 H SER 14 H SER 14 0.157 -0.621 3.544 73 HA SER 14 HA SER 14 0.072 -2.350 5.905 74 HB2 SER 14 1HB SER 14 0.378 -0.181 7.154 75 HB3 SER 14 2HB SER 14 1.704 -0.596 6.068 76 HG SER 14 HG SER 14 0.056 1.555 6.029 77 H CYS 15 H CYS 15 -1.762 0.181 4.264 78 HA CYS 15 HA CYS 15 -3.845 0.308 6.200 79 HB2 CYS 15 1HB CYS 15 -3.642 1.228 3.335 80 HB3 CYS 15 2HB CYS 15 -5.098 1.456 4.296 81 HG CYS 15 HG CYS 15 -3.593 3.852 4.147 82 H CYS 16 H CYS 16 -3.489 -1.353 3.087 83 HA CYS 16 HA CYS 16 -5.923 -2.891 3.707 84 HB2 CYS 16 1HB CYS 16 -6.044 -3.363 1.281 85 HB3 CYS 16 2HB CYS 16 -6.119 -1.639 1.630 86 H GLU 17 H GLU 17 -5.717 -5.074 2.229 87 HA GLU 17 HA GLU 17 -3.305 -6.394 3.272 88 HB2 GLU 17 1HB GLU 17 -6.038 -7.481 2.592 89 HB3 GLU 17 2HB GLU 17 -4.660 -8.505 2.970 90 HG2 GLU 17 1HG GLU 17 -5.617 -6.374 4.848 91 HG3 GLU 17 2HG GLU 17 -6.297 -8.000 4.844 92 H LYS 18 H LYS 18 -3.500 -4.883 0.747 93 HA LYS 18 HA LYS 18 -3.411 -6.891 -1.338 94 HB2 LYS 18 1HB LYS 18 -3.064 -3.901 -1.299 95 HB3 LYS 18 2HB LYS 18 -2.719 -4.850 -2.739 96 HG2 LYS 18 1HG LYS 18 -4.952 -5.489 -2.995 97 HG3 LYS 18 2HG LYS 18 -5.365 -5.027 -1.342 98 HD2 LYS 18 1HD LYS 18 -5.188 -2.709 -1.864 99 HD3 LYS 18 2HD LYS 18 -4.473 -3.056 -3.440 100 HE2 LYS 18 1HE LYS 18 -7.241 -3.943 -2.658 101 HE3 LYS 18 2HE LYS 18 -6.915 -2.398 -3.442 102 HZ1 LYS 18 3HZ LYS 18 -7.549 -4.176 -5.004 103 HZ2 LYS 18 1HZ LYS 18 -6.161 -5.040 -4.567 104 HZ3 LYS 18 2HZ LYS 18 -6.016 -3.538 -5.330 105 H ALA 19 H ALA 19 -1.485 -6.642 -2.936 106 HA ALA 19 HA ALA 19 1.052 -6.228 -1.550 107 HB1 ALA 19 3HB ALA 19 1.891 -8.364 -1.850 108 HB2 ALA 19 1HB ALA 19 0.218 -8.674 -1.386 109 HB3 ALA 19 2HB ALA 19 0.696 -8.772 -3.081 110 H PHE 20 H PHE 20 2.868 -6.032 -2.971 111 HA PHE 20 HA PHE 20 2.241 -5.772 -5.821 112 HB2 PHE 20 1HB PHE 20 3.640 -3.633 -4.200 113 HB3 PHE 20 2HB PHE 20 3.373 -3.599 -5.940 114 HD1 PHE 20 HD2 PHE 20 1.488 -3.873 -2.738 115 HD2 PHE 20 HD1 PHE 20 1.526 -2.502 -6.767 116 HE1 PHE 20 HE2 PHE 20 -0.679 -2.766 -2.378 117 HE2 PHE 20 HE1 PHE 20 -0.641 -1.392 -6.414 118 HZ PHE 20 HZ PHE 20 -1.747 -1.524 -4.217 119 H SER 21 H SER 21 4.119 -5.765 -7.202 120 HA SER 21 HA SER 21 6.064 -7.655 -6.412 121 HB2 SER 21 1HB SER 21 5.381 -7.413 -8.748 122 HB3 SER 21 2HB SER 21 6.044 -5.780 -8.790 123 HG SER 21 HG SER 21 8.089 -6.916 -8.138 124 H SER 22 H SER 22 6.385 -4.182 -7.157 125 HA SER 22 HA SER 22 8.838 -4.161 -5.523 126 HB2 SER 22 1HB SER 22 9.507 -3.648 -7.734 127 HB3 SER 22 2HB SER 22 8.109 -2.607 -8.002 128 HG SER 22 HG SER 22 10.465 -1.840 -7.251 129 H LYS 23 H LYS 23 9.257 -2.248 -4.279 130 HA LYS 23 HA LYS 23 7.051 -1.340 -2.812 131 HB2 LYS 23 1HB LYS 23 9.311 -1.362 -1.893 132 HB3 LYS 23 2HB LYS 23 9.818 -0.146 -3.057 133 HG2 LYS 23 1HG LYS 23 8.127 1.399 -2.037 134 HG3 LYS 23 2HG LYS 23 7.897 0.191 -0.770 135 HD2 LYS 23 1HD LYS 23 10.670 1.075 -1.389 136 HD3 LYS 23 2HD LYS 23 9.621 2.179 -0.496 137 HE2 LYS 23 1HE LYS 23 10.118 -0.688 0.292 138 HE3 LYS 23 2HE LYS 23 11.026 0.681 0.933 139 HZ1 LYS 23 3HZ LYS 23 9.051 1.569 1.894 140 HZ2 LYS 23 1HZ LYS 23 9.156 -0.055 2.357 141 HZ3 LYS 23 2HZ LYS 23 8.078 0.409 1.139 142 H SER 24 H SER 24 9.018 0.364 -5.244 143 HA SER 24 HA SER 24 7.980 2.829 -5.318 144 HB2 SER 24 1HB SER 24 9.560 1.568 -7.009 145 HB3 SER 24 2HB SER 24 8.076 1.399 -7.948 146 HG SER 24 HG SER 24 9.620 3.617 -7.485 147 H TYR 25 H TYR 25 6.422 0.030 -6.867 148 HA TYR 25 HA TYR 25 4.138 1.427 -7.754 149 HB2 TYR 25 1HB TYR 25 4.732 -1.483 -7.279 150 HB3 TYR 25 2HB TYR 25 3.127 -0.953 -7.772 151 HD1 TYR 25 HD1 TYR 25 2.949 0.415 -9.935 152 HD2 TYR 25 HD2 TYR 25 6.403 -1.833 -8.875 153 HE1 TYR 25 HE1 TYR 25 3.669 0.423 -12.287 154 HE2 TYR 25 HE2 TYR 25 7.132 -1.830 -11.224 155 HH TYR 25 HH TYR 25 5.093 -0.859 -13.781 156 H LEU 26 H LEU 26 4.660 -0.632 -4.899 157 HA LEU 26 HA LEU 26 2.132 -0.493 -3.788 158 HB2 LEU 26 1HB LEU 26 3.658 -1.984 -2.818 159 HB3 LEU 26 2HB LEU 26 4.861 -0.720 -2.564 160 HG LEU 26 HG LEU 26 3.404 0.250 -0.808 161 HD11 LEU 26 1HD1 LEU 26 1.819 -2.232 -0.622 162 HD12 LEU 26 2HD1 LEU 26 1.385 -1.121 -1.920 163 HD13 LEU 26 3HD1 LEU 26 1.377 -0.566 -0.246 164 HD21 LEU 26 3HD2 LEU 26 4.297 -2.611 -0.519 165 HD22 LEU 26 1HD2 LEU 26 3.753 -1.620 0.835 166 HD23 LEU 26 2HD2 LEU 26 5.183 -1.148 -0.085 167 H LEU 27 H LEU 27 4.810 1.795 -3.514 168 HA LEU 27 HA LEU 27 3.683 3.488 -1.585 169 HB2 LEU 27 1HB LEU 27 5.608 4.078 -3.825 170 HB3 LEU 27 2HB LEU 27 5.210 5.216 -2.540 171 HG LEU 27 HG LEU 27 6.398 2.511 -1.976 172 HD11 LEU 27 1HD1 LEU 27 8.208 3.250 -3.086 173 HD12 LEU 27 2HD1 LEU 27 8.462 4.218 -1.635 174 HD13 LEU 27 3HD1 LEU 27 7.680 4.933 -3.044 175 HD21 LEU 27 3HD2 LEU 27 5.685 4.916 -0.432 176 HD22 LEU 27 1HD2 LEU 27 7.244 4.189 -0.042 177 HD23 LEU 27 2HD2 LEU 27 5.770 3.225 0.067 178 H VAL 28 H VAL 28 3.669 3.769 -5.137 179 HA VAL 28 HA VAL 28 2.138 6.077 -5.348 180 HB VAL 28 HB VAL 28 2.160 3.711 -7.227 181 HG11 VAL 28 1HG1 VAL 28 1.371 6.574 -7.752 182 HG12 VAL 28 2HG1 VAL 28 1.394 5.259 -8.928 183 HG13 VAL 28 3HG1 VAL 28 0.251 5.223 -7.586 184 HG21 VAL 28 3HG2 VAL 28 3.650 6.040 -8.063 185 HG22 VAL 28 1HG2 VAL 28 4.234 5.427 -6.516 186 HG23 VAL 28 2HG2 VAL 28 4.174 4.362 -7.921 187 H HIS 29 H HIS 29 1.099 2.703 -5.088 188 HA HIS 29 HA HIS 29 -1.633 3.068 -5.510 189 HB2 HIS 29 1HB HIS 29 -1.066 0.838 -5.478 190 HB3 HIS 29 2HB HIS 29 0.021 1.023 -4.105 191 HD1 HIS 29 HD1 HIS 29 -3.651 0.712 -4.911 192 HD2 HIS 29 HD2 HIS 29 -1.090 0.483 -1.648 193 HE1 HIS 29 HE1 HIS 29 -5.052 -0.169 -3.018 194 H GLN 30 H GLN 30 0.210 3.128 -2.471 195 HA GLN 30 HA GLN 30 -1.767 3.438 -0.626 196 HB2 GLN 30 1HB GLN 30 1.009 4.486 -0.834 197 HB3 GLN 30 2HB GLN 30 -0.019 5.161 0.423 198 HG2 GLN 30 1HG GLN 30 -0.099 3.216 1.602 199 HG3 GLN 30 2HG GLN 30 0.108 2.209 0.170 200 HE21 GLN 30 1HE2 GLN 30 1.990 1.242 -0.005 201 HE22 GLN 30 2HE2 GLN 30 3.477 1.762 0.703 202 H GLN 31 H GLN 31 -0.500 5.907 -2.803 203 HA GLN 31 HA GLN 31 -1.515 8.223 -1.846 204 HB2 GLN 31 1HB GLN 31 -1.618 7.263 -4.710 205 HB3 GLN 31 2HB GLN 31 -1.872 8.930 -4.213 206 HG2 GLN 31 1HG GLN 31 0.476 8.565 -3.058 207 HG3 GLN 31 2HG GLN 31 0.625 7.336 -4.313 208 HE21 GLN 31 1HE2 GLN 31 0.735 7.954 -6.458 209 HE22 GLN 31 2HE2 GLN 31 1.026 9.587 -6.940 210 H THR 32 H THR 32 -3.351 5.710 -3.525 211 HA THR 32 HA THR 32 -5.783 6.980 -3.832 212 HB THR 32 HB THR 32 -6.835 4.763 -3.757 213 HG1 THR 32 HG1 THR 32 -5.342 2.957 -3.328 214 HG21 THR 32 3HG2 THR 32 -4.782 5.592 -5.487 215 HG22 THR 32 1HG2 THR 32 -6.049 4.410 -5.813 216 HG23 THR 32 2HG2 THR 32 -4.493 3.881 -5.172 217 H HIS 33 H HIS 33 -4.473 5.378 -0.966 218 HA HIS 33 HA HIS 33 -6.773 5.474 0.631 219 HB2 HIS 33 1HB HIS 33 -3.834 5.378 1.249 220 HB3 HIS 33 2HB HIS 33 -5.019 5.513 2.544 221 HD1 HIS 33 HD1 HIS 33 -7.088 3.545 2.024 222 HD2 HIS 33 HD2 HIS 33 -3.142 2.794 0.964 223 HE1 HIS 33 HE1 HIS 33 -6.904 1.044 1.847 224 H ALA 34 H ALA 34 -4.211 7.844 0.095 225 HA ALA 34 HA ALA 34 -4.769 9.690 2.061 226 HB1 ALA 34 3HB ALA 34 -3.963 10.288 -0.783 227 HB2 ALA 34 1HB ALA 34 -3.783 11.369 0.599 228 HB3 ALA 34 2HB ALA 34 -2.866 9.863 0.532 229 H GLU 35 H GLU 35 -6.571 8.974 -0.833 230 HA GLU 35 HA GLU 35 -8.205 11.348 -0.669 231 HB2 GLU 35 1HB GLU 35 -7.686 10.283 -2.838 232 HB3 GLU 35 2HB GLU 35 -8.574 8.852 -2.334 233 HG2 GLU 35 1HG GLU 35 -10.509 10.608 -1.976 234 HG3 GLU 35 2HG GLU 35 -9.579 11.515 -3.167 235 H GLU 36 H GLU 36 -8.862 7.853 -0.359 236 HA GLU 36 HA GLU 36 -11.465 7.915 0.458 237 HB2 GLU 36 1HB GLU 36 -9.232 6.118 1.404 238 HB3 GLU 36 2HB GLU 36 -10.922 5.843 1.799 239 HG2 GLU 36 1HG GLU 36 -10.030 6.111 -1.043 240 HG3 GLU 36 2HG GLU 36 -9.893 4.579 -0.182 241 H LYS 37 H LYS 37 -8.678 8.946 2.232 242 HA LYS 37 HA LYS 37 -8.381 9.598 4.422 243 HB2 LYS 37 1HB LYS 37 -9.750 11.405 3.049 244 HB3 LYS 37 2HB LYS 37 -11.005 11.007 4.216 245 HG2 LYS 37 1HG LYS 37 -10.004 12.720 5.316 246 HG3 LYS 37 2HG LYS 37 -9.029 11.384 5.931 247 HD2 LYS 37 1HD LYS 37 -8.222 12.870 3.455 248 HD3 LYS 37 2HD LYS 37 -7.830 13.498 5.057 249 HE2 LYS 37 1HE LYS 37 -6.894 11.116 5.480 250 HE3 LYS 37 2HE LYS 37 -6.892 10.988 3.722 251 HZ1 LYS 37 3HZ LYS 37 -4.887 12.019 5.189 252 HZ2 LYS 37 1HZ LYS 37 -5.718 13.420 4.732 253 HZ3 LYS 37 2HZ LYS 37 -5.147 12.352 3.551 254 HA PRO 38 HA PRO 38 -11.729 6.656 6.038 255 HB2 PRO 38 1HB PRO 38 -10.111 4.535 6.541 256 HB3 PRO 38 2HB PRO 38 -10.936 4.769 4.995 257 HG2 PRO 38 1HG PRO 38 -8.104 5.387 5.743 258 HG3 PRO 38 2HG PRO 38 -8.733 4.640 4.263 259 HD2 PRO 38 1HD PRO 38 -8.025 7.251 4.389 260 HD3 PRO 38 2HD PRO 38 -9.337 6.667 3.346 261 H SER 39 H SER 39 -8.351 7.116 7.029 262 HA SER 39 HA SER 39 -9.093 8.068 9.604 263 HB2 SER 39 1HB SER 39 -9.482 5.702 10.054 264 HB3 SER 39 2HB SER 39 -7.872 5.301 9.458 265 HG SER 39 HG SER 39 -7.071 6.684 11.179 266 H GLY 40 H GLY 40 -7.635 9.601 9.942 267 HA2 GLY 40 1HA GLY 40 -4.807 9.004 9.763 268 HA3 GLY 40 2HA GLY 40 -5.378 10.174 8.582 269 HA PRO 41 HA PRO 41 -4.671 11.971 13.002 270 HB2 PRO 41 1HB PRO 41 -2.026 12.577 12.927 271 HB3 PRO 41 2HB PRO 41 -2.643 11.048 13.563 272 HG2 PRO 41 1HG PRO 41 -1.478 11.648 10.871 273 HG3 PRO 41 2HG PRO 41 -1.194 10.252 11.927 274 HD2 PRO 41 1HD PRO 41 -2.868 10.154 9.801 275 HD3 PRO 41 2HD PRO 41 -3.142 9.205 11.276 276 H SER 42 H SER 42 -3.391 12.752 9.826 277 HA SER 42 HA SER 42 -2.893 15.477 10.176 278 HB2 SER 42 1HB SER 42 -3.724 13.890 7.745 279 HB3 SER 42 2HB SER 42 -3.336 15.609 7.670 280 HG SER 42 HG SER 42 -1.315 14.784 8.860 281 H SER 43 H SER 43 -4.181 17.254 9.106 282 HA SER 43 HA SER 43 -6.709 17.448 10.351 283 HB2 SER 43 1HB SER 43 -5.075 19.332 9.648 284 HB3 SER 43 2HB SER 43 -5.856 19.216 8.071 285 HG SER 43 HG SER 43 -6.778 20.774 9.599 286 H GLY 44 H GLY 44 -8.759 17.953 9.220 287 HA2 GLY 44 1HA GLY 44 -9.656 15.876 7.647 288 HA3 GLY 44 2HA GLY 44 -10.430 17.452 7.723 Start of MODEL 5 1 H1 GLY 1 H GLY 1 9.401 -21.905 -3.558 2 HA2 GLY 1 1HA GLY 1 10.480 -24.639 -3.609 3 HA3 GLY 1 2HA GLY 1 10.508 -23.742 -2.099 4 H SER 2 H SER 2 8.341 -22.851 -1.402 5 HA SER 2 HA SER 2 6.149 -24.649 -2.183 6 HB2 SER 2 1HB SER 2 5.478 -24.753 0.229 7 HB3 SER 2 2HB SER 2 7.013 -25.549 -0.115 8 HG SER 2 HG SER 2 7.807 -23.237 0.458 9 H SER 3 H SER 3 5.132 -23.046 -3.365 10 HA SER 3 HA SER 3 3.654 -21.116 -1.792 11 HB2 SER 3 1HB SER 3 5.594 -20.273 -3.949 12 HB3 SER 3 2HB SER 3 4.288 -19.238 -3.372 13 HG SER 3 HG SER 3 5.248 -19.637 -1.214 14 H GLY 4 H GLY 4 2.055 -19.913 -3.204 15 HA2 GLY 4 1HA GLY 4 0.689 -21.835 -4.841 16 HA3 GLY 4 2HA GLY 4 0.158 -20.197 -4.492 17 H SER 5 H SER 5 -0.492 -20.015 -6.698 18 HA SER 5 HA SER 5 1.721 -19.838 -8.625 19 HB2 SER 5 1HB SER 5 0.135 -20.156 -10.367 20 HB3 SER 5 2HB SER 5 -0.305 -21.312 -9.110 21 HG SER 5 HG SER 5 -1.549 -18.858 -9.758 22 H SER 6 H SER 6 1.599 -17.779 -6.829 23 HA SER 6 HA SER 6 0.728 -15.553 -8.540 24 HB2 SER 6 1HB SER 6 -0.021 -14.305 -6.565 25 HB3 SER 6 2HB SER 6 -0.914 -15.817 -6.720 26 HG SER 6 HG SER 6 1.000 -16.540 -5.253 27 H GLY 7 H GLY 7 3.281 -16.503 -8.602 28 HA2 GLY 7 1HA GLY 7 5.497 -16.013 -8.136 29 HA3 GLY 7 2HA GLY 7 4.915 -14.372 -8.371 30 H GLU 8 H GLU 8 6.064 -13.282 -6.866 31 HA GLU 8 HA GLU 8 5.487 -13.927 -4.068 32 HB2 GLU 8 1HB GLU 8 7.927 -13.282 -3.574 33 HB3 GLU 8 2HB GLU 8 7.614 -14.888 -4.216 34 HG2 GLU 8 1HG GLU 8 8.370 -12.581 -5.978 35 HG3 GLU 8 2HG GLU 8 9.570 -13.608 -5.195 36 H LYS 9 H LYS 9 4.912 -12.194 -2.924 37 HA LYS 9 HA LYS 9 5.715 -9.533 -3.884 38 HB2 LYS 9 1HB LYS 9 2.946 -10.402 -3.044 39 HB3 LYS 9 2HB LYS 9 3.425 -8.721 -3.240 40 HG2 LYS 9 1HG LYS 9 4.055 -9.322 -5.618 41 HG3 LYS 9 2HG LYS 9 3.212 -10.849 -5.347 42 HD2 LYS 9 1HD LYS 9 1.255 -9.332 -4.562 43 HD3 LYS 9 2HD LYS 9 2.110 -8.068 -5.449 44 HE2 LYS 9 1HE LYS 9 2.155 -9.917 -7.334 45 HE3 LYS 9 2HE LYS 9 0.751 -10.518 -6.453 46 HZ1 LYS 9 3HZ LYS 9 0.757 -8.530 -8.330 47 HZ2 LYS 9 1HZ LYS 9 0.623 -7.698 -6.863 48 HZ3 LYS 9 2HZ LYS 9 -0.504 -8.894 -7.263 49 HA PRO 10 HA PRO 10 6.766 -9.961 0.577 50 HB2 PRO 10 1HB PRO 10 9.066 -8.532 0.387 51 HB3 PRO 10 2HB PRO 10 8.979 -10.262 0.035 52 HG2 PRO 10 1HG PRO 10 8.966 -7.940 -1.855 53 HG3 PRO 10 2HG PRO 10 9.837 -9.480 -1.980 54 HD2 PRO 10 1HD PRO 10 7.541 -8.992 -3.329 55 HD3 PRO 10 2HD PRO 10 7.982 -10.611 -2.751 56 H PHE 11 H PHE 11 5.650 -7.585 -1.409 57 HA PHE 11 HA PHE 11 5.784 -5.545 0.714 58 HB2 PHE 11 1HB PHE 11 5.480 -5.130 -2.268 59 HB3 PHE 11 2HB PHE 11 5.492 -3.854 -1.056 60 HD1 PHE 11 HD1 PHE 11 7.513 -6.308 -2.862 61 HD2 PHE 11 HD2 PHE 11 7.540 -3.170 0.013 62 HE1 PHE 11 HE1 PHE 11 9.963 -6.168 -3.043 63 HE2 PHE 11 HE2 PHE 11 9.989 -3.024 -0.164 64 HZ PHE 11 HZ PHE 11 11.204 -4.524 -1.694 65 H GLY 12 H GLY 12 3.928 -5.560 1.808 66 HA2 GLY 12 1HA GLY 12 1.419 -5.724 0.253 67 HA3 GLY 12 2HA GLY 12 1.608 -6.486 1.825 68 H CYS 13 H CYS 13 -0.063 -4.178 0.563 69 HA CYS 13 HA CYS 13 0.578 -1.799 1.895 70 HB2 CYS 13 1HB CYS 13 -1.026 -1.878 0.051 71 HB3 CYS 13 2HB CYS 13 -2.131 -2.836 1.032 72 H SER 14 H SER 14 -0.656 -0.786 3.667 73 HA SER 14 HA SER 14 -1.046 -2.718 5.835 74 HB2 SER 14 1HB SER 14 -0.485 0.249 5.817 75 HB3 SER 14 2HB SER 14 -0.940 -0.621 7.282 76 HG SER 14 HG SER 14 1.376 -0.402 6.874 77 H CYS 15 H CYS 15 -2.661 -0.121 4.104 78 HA CYS 15 HA CYS 15 -4.955 -0.015 5.781 79 HB2 CYS 15 1HB CYS 15 -4.260 1.026 3.063 80 HB3 CYS 15 2HB CYS 15 -5.942 1.042 3.580 81 HG CYS 15 HG CYS 15 -5.495 2.657 5.806 82 H CYS 16 H CYS 16 -4.224 -1.671 2.736 83 HA CYS 16 HA CYS 16 -6.679 -3.260 3.103 84 HB2 CYS 16 1HB CYS 16 -6.700 -3.591 0.666 85 HB3 CYS 16 2HB CYS 16 -6.785 -1.883 1.084 86 H GLU 17 H GLU 17 -6.318 -5.350 1.515 87 HA GLU 17 HA GLU 17 -3.958 -6.670 2.659 88 HB2 GLU 17 1HB GLU 17 -6.666 -7.624 1.830 89 HB3 GLU 17 2HB GLU 17 -5.320 -8.755 1.791 90 HG2 GLU 17 1HG GLU 17 -6.472 -8.972 3.878 91 HG3 GLU 17 2HG GLU 17 -4.882 -8.269 4.167 92 H LYS 18 H LYS 18 -3.913 -4.960 0.273 93 HA LYS 18 HA LYS 18 -3.611 -6.726 -1.986 94 HB2 LYS 18 1HB LYS 18 -3.138 -3.784 -1.555 95 HB3 LYS 18 2HB LYS 18 -2.671 -4.584 -3.051 96 HG2 LYS 18 1HG LYS 18 -5.030 -5.318 -3.324 97 HG3 LYS 18 2HG LYS 18 -5.446 -4.348 -1.909 98 HD2 LYS 18 1HD LYS 18 -5.932 -2.949 -3.716 99 HD3 LYS 18 2HD LYS 18 -4.346 -2.399 -3.168 100 HE2 LYS 18 1HE LYS 18 -3.249 -3.525 -4.948 101 HE3 LYS 18 2HE LYS 18 -4.714 -4.404 -5.383 102 HZ1 LYS 18 3HZ LYS 18 -5.726 -2.331 -6.070 103 HZ2 LYS 18 1HZ LYS 18 -4.271 -2.568 -6.901 104 HZ3 LYS 18 2HZ LYS 18 -4.343 -1.467 -5.620 105 H ALA 19 H ALA 19 -1.518 -6.491 -3.309 106 HA ALA 19 HA ALA 19 0.891 -6.201 -1.722 107 HB1 ALA 19 3HB ALA 19 0.166 -8.860 -2.945 108 HB2 ALA 19 1HB ALA 19 1.717 -8.456 -2.209 109 HB3 ALA 19 2HB ALA 19 0.255 -8.494 -1.222 110 H PHE 20 H PHE 20 2.734 -5.873 -2.952 111 HA PHE 20 HA PHE 20 2.394 -5.910 -5.872 112 HB2 PHE 20 1HB PHE 20 3.638 -3.675 -4.256 113 HB3 PHE 20 2HB PHE 20 3.609 -3.763 -6.014 114 HD1 PHE 20 HD2 PHE 20 1.508 -3.409 -3.002 115 HD2 PHE 20 HD1 PHE 20 1.707 -3.102 -7.243 116 HE1 PHE 20 HE2 PHE 20 -0.669 -2.264 -3.018 117 HE2 PHE 20 HE1 PHE 20 -0.471 -1.955 -7.265 118 HZ PHE 20 HZ PHE 20 -1.662 -1.536 -5.151 119 H SER 21 H SER 21 4.491 -5.784 -7.044 120 HA SER 21 HA SER 21 6.379 -7.599 -5.805 121 HB2 SER 21 1HB SER 21 5.766 -8.036 -8.105 122 HB3 SER 21 2HB SER 21 6.246 -6.409 -8.585 123 HG SER 21 HG SER 21 8.400 -7.002 -7.897 124 H SER 22 H SER 22 6.389 -4.310 -7.129 125 HA SER 22 HA SER 22 9.037 -3.889 -5.915 126 HB2 SER 22 1HB SER 22 7.659 -2.668 -8.282 127 HB3 SER 22 2HB SER 22 8.909 -1.757 -7.436 128 HG SER 22 HG SER 22 9.132 -4.231 -8.780 129 H LYS 23 H LYS 23 9.362 -2.291 -4.440 130 HA LYS 23 HA LYS 23 7.278 -1.444 -2.816 131 HB2 LYS 23 1HB LYS 23 9.602 -1.460 -2.074 132 HB3 LYS 23 2HB LYS 23 9.996 -0.178 -3.213 133 HG2 LYS 23 1HG LYS 23 8.638 1.389 -2.012 134 HG3 LYS 23 2HG LYS 23 8.036 0.116 -0.948 135 HD2 LYS 23 1HD LYS 23 9.695 1.208 0.304 136 HD3 LYS 23 2HD LYS 23 10.476 -0.257 -0.296 137 HE2 LYS 23 1HE LYS 23 12.091 1.266 -0.817 138 HE3 LYS 23 2HE LYS 23 11.131 1.351 -2.294 139 HZ1 LYS 23 3HZ LYS 23 11.817 3.474 -0.815 140 HZ2 LYS 23 1HZ LYS 23 10.281 3.141 -0.188 141 HZ3 LYS 23 2HZ LYS 23 10.475 3.430 -1.843 142 H SER 24 H SER 24 9.054 0.469 -5.245 143 HA SER 24 HA SER 24 7.856 2.881 -5.084 144 HB2 SER 24 1HB SER 24 8.331 1.439 -7.704 145 HB3 SER 24 2HB SER 24 8.255 3.185 -7.464 146 HG SER 24 HG SER 24 10.233 3.172 -6.721 147 H TYR 25 H TYR 25 6.545 0.161 -6.979 148 HA TYR 25 HA TYR 25 4.210 1.367 -7.855 149 HB2 TYR 25 1HB TYR 25 5.039 -1.453 -7.356 150 HB3 TYR 25 2HB TYR 25 3.332 -1.134 -7.641 151 HD1 TYR 25 HD1 TYR 25 3.387 0.976 -9.654 152 HD2 TYR 25 HD2 TYR 25 5.846 -2.475 -9.277 153 HE1 TYR 25 HE1 TYR 25 3.795 1.010 -12.079 154 HE2 TYR 25 HE2 TYR 25 6.262 -2.451 -11.701 155 HH TYR 25 HH TYR 25 4.499 -0.385 -13.846 156 H LEU 26 H LEU 26 4.732 -0.524 -4.888 157 HA LEU 26 HA LEU 26 2.158 -0.453 -3.868 158 HB2 LEU 26 1HB LEU 26 3.728 -1.833 -2.795 159 HB3 LEU 26 2HB LEU 26 4.848 -0.496 -2.537 160 HG LEU 26 HG LEU 26 3.292 0.447 -0.870 161 HD11 LEU 26 1HD1 LEU 26 1.233 -0.549 -1.809 162 HD12 LEU 26 2HD1 LEU 26 1.410 -0.826 -0.077 163 HD13 LEU 26 3HD1 LEU 26 1.759 -2.125 -1.217 164 HD21 LEU 26 3HD2 LEU 26 4.686 -0.661 0.465 165 HD22 LEU 26 1HD2 LEU 26 4.783 -2.025 -0.650 166 HD23 LEU 26 2HD2 LEU 26 3.472 -1.940 0.528 167 H LEU 27 H LEU 27 4.784 1.895 -3.402 168 HA LEU 27 HA LEU 27 3.525 3.632 -1.653 169 HB2 LEU 27 1HB LEU 27 5.373 4.384 -3.912 170 HB3 LEU 27 2HB LEU 27 5.034 5.348 -2.476 171 HG LEU 27 HG LEU 27 6.382 2.652 -2.412 172 HD11 LEU 27 1HD1 LEU 27 7.472 4.909 -3.494 173 HD12 LEU 27 2HD1 LEU 27 8.381 3.590 -2.759 174 HD13 LEU 27 3HD1 LEU 27 7.982 5.022 -1.810 175 HD21 LEU 27 3HD2 LEU 27 6.167 4.835 -0.340 176 HD22 LEU 27 1HD2 LEU 27 6.988 3.285 -0.151 177 HD23 LEU 27 2HD2 LEU 27 5.236 3.336 -0.347 178 H VAL 28 H VAL 28 3.680 3.980 -5.203 179 HA VAL 28 HA VAL 28 1.998 6.141 -5.491 180 HB VAL 28 HB VAL 28 2.181 3.771 -7.356 181 HG11 VAL 28 1HG1 VAL 28 1.511 6.599 -8.107 182 HG12 VAL 28 2HG1 VAL 28 1.287 5.123 -9.048 183 HG13 VAL 28 3HG1 VAL 28 0.265 5.440 -7.645 184 HG21 VAL 28 3HG2 VAL 28 4.377 4.541 -7.096 185 HG22 VAL 28 1HG2 VAL 28 3.800 5.356 -8.550 186 HG23 VAL 28 2HG2 VAL 28 3.872 6.229 -7.019 187 H HIS 29 H HIS 29 1.181 2.798 -4.879 188 HA HIS 29 HA HIS 29 -1.594 3.029 -5.484 189 HB2 HIS 29 1HB HIS 29 -0.939 0.823 -5.536 190 HB3 HIS 29 2HB HIS 29 0.145 1.000 -4.160 191 HD1 HIS 29 HD1 HIS 29 -3.568 0.770 -4.899 192 HD2 HIS 29 HD2 HIS 29 -0.884 0.130 -1.792 193 HE1 HIS 29 HE1 HIS 29 -4.913 -0.286 -3.055 194 H GLN 30 H GLN 30 0.177 2.859 -2.394 195 HA GLN 30 HA GLN 30 -1.874 3.141 -0.618 196 HB2 GLN 30 1HB GLN 30 0.725 4.647 -0.339 197 HB3 GLN 30 2HB GLN 30 -0.303 4.031 0.948 198 HG2 GLN 30 1HG GLN 30 0.211 1.727 -0.248 199 HG3 GLN 30 2HG GLN 30 1.643 2.610 -0.775 200 HE21 GLN 30 1HE2 GLN 30 0.916 0.404 1.285 201 HE22 GLN 30 2HE2 GLN 30 1.818 0.877 2.680 202 H GLN 31 H GLN 31 -0.771 5.464 -2.896 203 HA GLN 31 HA GLN 31 -1.527 7.863 -1.708 204 HB2 GLN 31 1HB GLN 31 -1.598 7.031 -4.611 205 HB3 GLN 31 2HB GLN 31 -1.836 8.684 -4.059 206 HG2 GLN 31 1HG GLN 31 0.424 8.547 -2.984 207 HG3 GLN 31 2HG GLN 31 0.644 7.006 -3.812 208 HE21 GLN 31 1HE2 GLN 31 0.380 7.059 -6.187 209 HE22 GLN 31 2HE2 GLN 31 0.954 8.450 -7.035 210 H THR 32 H THR 32 -3.456 5.483 -3.454 211 HA THR 32 HA THR 32 -5.825 6.932 -3.713 212 HB THR 32 HB THR 32 -5.568 4.832 -4.869 213 HG1 THR 32 HG1 THR 32 -7.602 3.988 -4.414 214 HG21 THR 32 3HG2 THR 32 -4.645 3.904 -2.353 215 HG22 THR 32 1HG2 THR 32 -4.672 3.043 -3.892 216 HG23 THR 32 2HG2 THR 32 -6.050 2.935 -2.797 217 H HIS 33 H HIS 33 -4.317 5.690 -0.913 218 HA HIS 33 HA HIS 33 -6.769 5.620 0.651 219 HB2 HIS 33 1HB HIS 33 -3.887 4.998 1.266 220 HB3 HIS 33 2HB HIS 33 -5.100 5.107 2.538 221 HD1 HIS 33 HD1 HIS 33 -7.102 3.340 2.367 222 HD2 HIS 33 HD2 HIS 33 -3.817 2.611 -0.070 223 HE1 HIS 33 HE1 HIS 33 -7.316 0.939 1.651 224 H ALA 34 H ALA 34 -4.362 7.853 -0.215 225 HA ALA 34 HA ALA 34 -4.744 9.521 2.146 226 HB1 ALA 34 3HB ALA 34 -2.803 10.528 1.617 227 HB2 ALA 34 1HB ALA 34 -2.559 9.098 0.614 228 HB3 ALA 34 2HB ALA 34 -3.178 10.585 -0.105 229 H GLU 35 H GLU 35 -6.653 8.936 -0.302 230 HA GLU 35 HA GLU 35 -7.374 11.758 -0.751 231 HB2 GLU 35 1HB GLU 35 -7.864 9.365 -2.532 232 HB3 GLU 35 2HB GLU 35 -8.466 10.987 -2.843 233 HG2 GLU 35 1HG GLU 35 -6.215 11.826 -3.056 234 HG3 GLU 35 2HG GLU 35 -5.557 10.248 -2.627 235 H GLU 36 H GLU 36 -9.080 12.339 0.405 236 HA GLU 36 HA GLU 36 -11.287 10.414 0.713 237 HB2 GLU 36 1HB GLU 36 -9.780 10.990 2.794 238 HB3 GLU 36 2HB GLU 36 -10.747 12.458 2.828 239 HG2 GLU 36 1HG GLU 36 -12.771 10.881 2.764 240 HG3 GLU 36 2HG GLU 36 -11.621 9.624 3.217 241 H LYS 37 H LYS 37 -11.209 12.202 -1.374 242 HA LYS 37 HA LYS 37 -13.351 14.074 -0.622 243 HB2 LYS 37 1HB LYS 37 -12.379 15.568 -2.482 244 HB3 LYS 37 2HB LYS 37 -11.559 15.544 -0.926 245 HG2 LYS 37 1HG LYS 37 -9.764 15.340 -2.299 246 HG3 LYS 37 2HG LYS 37 -10.159 13.632 -2.093 247 HD2 LYS 37 1HD LYS 37 -11.048 13.446 -4.215 248 HD3 LYS 37 2HD LYS 37 -11.413 15.170 -4.326 249 HE2 LYS 37 1HE LYS 37 -9.213 15.727 -4.831 250 HE3 LYS 37 2HE LYS 37 -8.578 14.220 -4.173 251 HZ1 LYS 37 3HZ LYS 37 -10.377 14.073 -6.478 252 HZ2 LYS 37 1HZ LYS 37 -9.076 13.076 -6.060 253 HZ3 LYS 37 2HZ LYS 37 -8.791 14.597 -6.742 254 HA PRO 38 HA PRO 38 -14.499 11.245 -4.181 255 HB2 PRO 38 1HB PRO 38 -16.753 10.262 -3.031 256 HB3 PRO 38 2HB PRO 38 -15.161 9.530 -2.803 257 HG2 PRO 38 1HG PRO 38 -16.669 11.385 -1.001 258 HG3 PRO 38 2HG PRO 38 -15.745 9.928 -0.588 259 HD2 PRO 38 1HD PRO 38 -14.749 12.425 -0.264 260 HD3 PRO 38 2HD PRO 38 -13.725 11.034 -0.670 261 H SER 39 H SER 39 -16.447 11.373 -5.501 262 HA SER 39 HA SER 39 -17.795 13.967 -5.173 263 HB2 SER 39 1HB SER 39 -16.366 13.255 -7.289 264 HB3 SER 39 2HB SER 39 -17.871 12.464 -7.755 265 HG SER 39 HG SER 39 -18.722 14.731 -7.081 266 H GLY 40 H GLY 40 -19.427 13.215 -3.777 267 HA2 GLY 40 1HA GLY 40 -21.574 12.504 -3.359 268 HA3 GLY 40 2HA GLY 40 -21.752 12.247 -5.089 269 HA PRO 41 HA PRO 41 -21.857 8.131 -2.919 270 HB2 PRO 41 1HB PRO 41 -24.131 7.271 -4.129 271 HB3 PRO 41 2HB PRO 41 -24.136 8.219 -2.637 272 HG2 PRO 41 1HG PRO 41 -24.582 9.121 -5.456 273 HG3 PRO 41 2HG PRO 41 -25.460 9.575 -3.984 274 HD2 PRO 41 1HD PRO 41 -23.563 11.156 -5.096 275 HD3 PRO 41 2HD PRO 41 -23.853 11.099 -3.345 276 H SER 42 H SER 42 -22.469 5.947 -4.215 277 HA SER 42 HA SER 42 -21.622 4.455 -5.718 278 HB2 SER 42 1HB SER 42 -22.224 4.835 -7.967 279 HB3 SER 42 2HB SER 42 -23.396 5.772 -7.040 280 HG SER 42 HG SER 42 -21.747 6.638 -8.911 281 H SER 43 H SER 43 -19.640 5.865 -4.394 282 HA SER 43 HA SER 43 -17.681 6.662 -6.402 283 HB2 SER 43 1HB SER 43 -16.314 7.387 -4.510 284 HB3 SER 43 2HB SER 43 -17.946 8.039 -4.361 285 HG SER 43 HG SER 43 -17.833 7.175 -2.443 286 H GLY 44 H GLY 44 -18.117 4.228 -3.862 287 HA2 GLY 44 1HA GLY 44 -16.574 2.307 -5.319 288 HA3 GLY 44 2HA GLY 44 -15.694 2.936 -3.933 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.350 -24.745 -0.438 2 HA2 GLY 1 1HA GLY 1 4.135 -23.677 -1.444 3 HA3 GLY 1 2HA GLY 1 4.376 -25.259 -2.170 4 H SER 2 H SER 2 5.294 -24.083 -3.973 5 HA SER 2 HA SER 2 3.233 -23.385 -5.915 6 HB2 SER 2 1HB SER 2 4.171 -21.288 -6.519 7 HB3 SER 2 2HB SER 2 4.069 -21.268 -4.758 8 HG SER 2 HG SER 2 6.162 -20.703 -6.050 9 H SER 3 H SER 3 4.379 -22.925 -8.119 10 HA SER 3 HA SER 3 6.622 -24.807 -8.433 11 HB2 SER 3 1HB SER 3 5.649 -25.685 -10.453 12 HB3 SER 3 2HB SER 3 4.429 -25.778 -9.183 13 HG SER 3 HG SER 3 4.624 -23.812 -11.222 14 H GLY 4 H GLY 4 8.343 -23.936 -9.377 15 HA2 GLY 4 1HA GLY 4 9.671 -22.342 -10.380 16 HA3 GLY 4 2HA GLY 4 8.490 -22.470 -11.676 17 H SER 5 H SER 5 9.631 -20.583 -9.011 18 HA SER 5 HA SER 5 7.629 -18.779 -8.548 19 HB2 SER 5 1HB SER 5 9.628 -18.590 -7.273 20 HB3 SER 5 2HB SER 5 10.613 -18.356 -8.717 21 HG SER 5 HG SER 5 8.569 -16.524 -8.277 22 H SER 6 H SER 6 6.867 -16.909 -9.482 23 HA SER 6 HA SER 6 7.847 -16.287 -12.187 24 HB2 SER 6 1HB SER 6 5.712 -17.576 -12.273 25 HB3 SER 6 2HB SER 6 4.939 -16.292 -11.343 26 HG SER 6 HG SER 6 5.420 -14.862 -13.049 27 H GLY 7 H GLY 7 5.804 -15.084 -9.523 28 HA2 GLY 7 1HA GLY 7 7.131 -12.486 -9.759 29 HA3 GLY 7 2HA GLY 7 5.385 -12.524 -9.953 30 H GLU 8 H GLU 8 7.944 -12.315 -7.759 31 HA GLU 8 HA GLU 8 6.357 -13.150 -5.464 32 HB2 GLU 8 1HB GLU 8 8.405 -12.653 -4.165 33 HB3 GLU 8 2HB GLU 8 8.687 -13.801 -5.466 34 HG2 GLU 8 1HG GLU 8 9.694 -12.087 -6.823 35 HG3 GLU 8 2HG GLU 8 9.306 -10.860 -5.618 36 H LYS 9 H LYS 9 5.304 -11.808 -4.140 37 HA LYS 9 HA LYS 9 5.745 -8.912 -4.473 38 HB2 LYS 9 1HB LYS 9 3.135 -10.212 -3.690 39 HB3 LYS 9 2HB LYS 9 3.407 -8.526 -4.110 40 HG2 LYS 9 1HG LYS 9 3.830 -9.105 -6.400 41 HG3 LYS 9 2HG LYS 9 3.762 -10.827 -6.019 42 HD2 LYS 9 1HD LYS 9 1.651 -10.449 -6.874 43 HD3 LYS 9 2HD LYS 9 1.374 -10.255 -5.142 44 HE2 LYS 9 1HE LYS 9 1.341 -7.901 -5.313 45 HE3 LYS 9 2HE LYS 9 2.019 -7.933 -6.940 46 HZ1 LYS 9 3HZ LYS 9 -0.597 -7.695 -6.379 47 HZ2 LYS 9 1HZ LYS 9 -0.474 -9.360 -6.656 48 HZ3 LYS 9 2HZ LYS 9 0.017 -8.266 -7.848 49 HA PRO 10 HA PRO 10 6.588 -10.176 -0.056 50 HB2 PRO 10 1HB PRO 10 8.991 -8.925 0.112 51 HB3 PRO 10 2HB PRO 10 8.810 -10.584 -0.470 52 HG2 PRO 10 1HG PRO 10 9.119 -8.050 -2.035 53 HG3 PRO 10 2HG PRO 10 9.885 -9.628 -2.297 54 HD2 PRO 10 1HD PRO 10 7.749 -8.789 -3.734 55 HD3 PRO 10 2HD PRO 10 8.024 -10.498 -3.343 56 H PHE 11 H PHE 11 5.810 -7.486 -1.787 57 HA PHE 11 HA PHE 11 5.995 -5.708 0.554 58 HB2 PHE 11 1HB PHE 11 5.806 -5.059 -2.392 59 HB3 PHE 11 2HB PHE 11 5.671 -3.854 -1.116 60 HD1 PHE 11 HD1 PHE 11 7.950 -6.469 -2.446 61 HD2 PHE 11 HD2 PHE 11 7.572 -2.826 -0.279 62 HE1 PHE 11 HE1 PHE 11 10.400 -6.237 -2.415 63 HE2 PHE 11 HE2 PHE 11 10.021 -2.588 -0.245 64 HZ PHE 11 HZ PHE 11 11.438 -4.294 -1.315 65 H GLY 12 H GLY 12 4.127 -6.100 1.642 66 HA2 GLY 12 1HA GLY 12 1.609 -5.930 0.115 67 HA3 GLY 12 2HA GLY 12 1.792 -6.746 1.661 68 H CYS 13 H CYS 13 0.320 -4.235 0.368 69 HA CYS 13 HA CYS 13 0.993 -1.957 1.781 70 HB2 CYS 13 1HB CYS 13 -0.717 -2.128 -0.051 71 HB3 CYS 13 2HB CYS 13 -1.830 -2.819 1.126 72 H SER 14 H SER 14 0.833 -1.311 3.835 73 HA SER 14 HA SER 14 -0.071 -3.186 5.826 74 HB2 SER 14 1HB SER 14 1.963 -1.643 6.018 75 HB3 SER 14 2HB SER 14 0.811 -0.346 6.336 76 HG SER 14 HG SER 14 1.091 -2.746 7.827 77 H CYS 15 H CYS 15 -1.753 -1.236 3.896 78 HA CYS 15 HA CYS 15 -3.663 -0.406 5.974 79 HB2 CYS 15 1HB CYS 15 -3.325 0.589 3.137 80 HB3 CYS 15 2HB CYS 15 -4.575 1.133 4.249 81 HG CYS 15 HG CYS 15 -1.211 1.560 4.720 82 H CYS 16 H CYS 16 -3.413 -1.957 2.799 83 HA CYS 16 HA CYS 16 -6.053 -3.178 3.283 84 HB2 CYS 16 1HB CYS 16 -6.275 -3.315 0.799 85 HB3 CYS 16 2HB CYS 16 -6.234 -1.666 1.415 86 H GLU 17 H GLU 17 -6.190 -5.155 1.559 87 HA GLU 17 HA GLU 17 -4.042 -6.941 2.406 88 HB2 GLU 17 1HB GLU 17 -6.852 -7.291 1.494 89 HB3 GLU 17 2HB GLU 17 -5.726 -8.599 1.160 90 HG2 GLU 17 1HG GLU 17 -5.157 -8.662 3.569 91 HG3 GLU 17 2HG GLU 17 -6.404 -7.449 3.855 92 H LYS 18 H LYS 18 -3.693 -4.929 0.270 93 HA LYS 18 HA LYS 18 -3.332 -6.629 -2.090 94 HB2 LYS 18 1HB LYS 18 -3.204 -3.632 -1.731 95 HB3 LYS 18 2HB LYS 18 -2.825 -4.452 -3.241 96 HG2 LYS 18 1HG LYS 18 -5.041 -5.160 -3.540 97 HG3 LYS 18 2HG LYS 18 -5.470 -4.798 -1.866 98 HD2 LYS 18 1HD LYS 18 -5.058 -2.387 -2.359 99 HD3 LYS 18 2HD LYS 18 -4.828 -2.822 -4.054 100 HE2 LYS 18 1HE LYS 18 -7.075 -2.092 -3.829 101 HE3 LYS 18 2HE LYS 18 -7.123 -3.847 -3.991 102 HZ1 LYS 18 3HZ LYS 18 -8.014 -2.209 -1.835 103 HZ2 LYS 18 1HZ LYS 18 -6.938 -3.399 -1.298 104 HZ3 LYS 18 2HZ LYS 18 -8.333 -3.841 -2.146 105 H ALA 19 H ALA 19 -1.294 -6.257 -3.356 106 HA ALA 19 HA ALA 19 1.025 -5.481 -1.784 107 HB1 ALA 19 3HB ALA 19 0.259 -8.237 -2.145 108 HB2 ALA 19 1HB ALA 19 1.839 -7.917 -2.862 109 HB3 ALA 19 2HB ALA 19 1.550 -7.548 -1.161 110 H PHE 20 H PHE 20 3.081 -5.850 -3.169 111 HA PHE 20 HA PHE 20 2.629 -5.717 -6.028 112 HB2 PHE 20 1HB PHE 20 3.867 -3.380 -4.558 113 HB3 PHE 20 2HB PHE 20 3.712 -3.538 -6.305 114 HD1 PHE 20 HD2 PHE 20 1.717 -3.352 -3.179 115 HD2 PHE 20 HD1 PHE 20 1.815 -2.757 -7.393 116 HE1 PHE 20 HE2 PHE 20 -0.492 -2.274 -3.075 117 HE2 PHE 20 HE1 PHE 20 -0.394 -1.677 -7.295 118 HZ PHE 20 HZ PHE 20 -1.551 -1.435 -5.134 119 H SER 21 H SER 21 4.574 -5.876 -7.266 120 HA SER 21 HA SER 21 6.438 -7.677 -6.327 121 HB2 SER 21 1HB SER 21 5.974 -6.915 -8.744 122 HB3 SER 21 2HB SER 21 7.141 -5.631 -8.426 123 HG SER 21 HG SER 21 8.658 -7.286 -7.897 124 H SER 22 H SER 22 6.733 -4.142 -6.511 125 HA SER 22 HA SER 22 8.881 -4.305 -4.507 126 HB2 SER 22 1HB SER 22 10.189 -2.665 -5.628 127 HB3 SER 22 2HB SER 22 9.721 -3.830 -6.866 128 HG SER 22 HG SER 22 9.285 -1.226 -6.846 129 H LYS 23 H LYS 23 9.207 -2.253 -3.324 130 HA LYS 23 HA LYS 23 6.863 -1.332 -2.156 131 HB2 LYS 23 1HB LYS 23 8.301 0.538 -1.266 132 HB3 LYS 23 2HB LYS 23 8.913 -1.084 -0.969 133 HG2 LYS 23 1HG LYS 23 10.235 -0.651 -3.192 134 HG3 LYS 23 2HG LYS 23 9.957 1.040 -2.772 135 HD2 LYS 23 1HD LYS 23 10.992 -0.814 -0.679 136 HD3 LYS 23 2HD LYS 23 12.098 -0.233 -1.926 137 HE2 LYS 23 1HE LYS 23 11.618 2.059 -1.340 138 HE3 LYS 23 2HE LYS 23 10.391 1.541 -0.184 139 HZ1 LYS 23 3HZ LYS 23 11.993 1.538 1.329 140 HZ2 LYS 23 1HZ LYS 23 13.200 1.783 0.169 141 HZ3 LYS 23 2HZ LYS 23 12.688 0.213 0.538 142 H SER 24 H SER 24 8.852 0.197 -4.670 143 HA SER 24 HA SER 24 7.704 2.618 -4.993 144 HB2 SER 24 1HB SER 24 9.452 2.052 -6.481 145 HB3 SER 24 2HB SER 24 8.592 0.637 -7.086 146 HG SER 24 HG SER 24 7.630 1.861 -8.490 147 H TYR 25 H TYR 25 6.541 -0.186 -6.869 148 HA TYR 25 HA TYR 25 4.230 0.926 -7.858 149 HB2 TYR 25 1HB TYR 25 4.928 -1.905 -7.121 150 HB3 TYR 25 2HB TYR 25 3.347 -1.506 -7.783 151 HD1 TYR 25 HD1 TYR 25 3.693 0.264 -9.911 152 HD2 TYR 25 HD2 TYR 25 6.340 -2.831 -8.679 153 HE1 TYR 25 HE1 TYR 25 4.615 0.154 -12.189 154 HE2 TYR 25 HE2 TYR 25 7.270 -2.949 -10.953 155 HH TYR 25 HH TYR 25 6.204 -2.267 -13.414 156 H LEU 26 H LEU 26 4.740 -0.616 -4.721 157 HA LEU 26 HA LEU 26 2.041 -0.583 -3.888 158 HB2 LEU 26 1HB LEU 26 3.529 -2.014 -2.744 159 HB3 LEU 26 2HB LEU 26 4.648 -0.697 -2.401 160 HG LEU 26 HG LEU 26 3.015 0.257 -0.827 161 HD11 LEU 26 1HD1 LEU 26 1.278 -1.656 -2.086 162 HD12 LEU 26 2HD1 LEU 26 0.881 -0.322 -1.003 163 HD13 LEU 26 3HD1 LEU 26 1.307 -1.900 -0.340 164 HD21 LEU 26 3HD2 LEU 26 3.157 -1.602 0.866 165 HD22 LEU 26 1HD2 LEU 26 4.686 -1.133 0.122 166 HD23 LEU 26 2HD2 LEU 26 3.862 -2.601 -0.405 167 H LEU 27 H LEU 27 4.630 1.778 -3.714 168 HA LEU 27 HA LEU 27 3.440 3.555 -1.888 169 HB2 LEU 27 1HB LEU 27 5.417 3.986 -4.115 170 HB3 LEU 27 2HB LEU 27 4.922 5.266 -3.009 171 HG LEU 27 HG LEU 27 6.259 2.703 -2.149 172 HD11 LEU 27 1HD1 LEU 27 8.280 4.023 -1.886 173 HD12 LEU 27 2HD1 LEU 27 7.458 5.443 -2.533 174 HD13 LEU 27 3HD1 LEU 27 7.743 4.042 -3.566 175 HD21 LEU 27 3HD2 LEU 27 5.295 5.156 -0.754 176 HD22 LEU 27 1HD2 LEU 27 6.728 4.326 -0.147 177 HD23 LEU 27 2HD2 LEU 27 5.193 3.465 -0.263 178 H VAL 28 H VAL 28 3.600 3.799 -5.447 179 HA VAL 28 HA VAL 28 2.006 5.979 -5.851 180 HB VAL 28 HB VAL 28 2.020 3.464 -7.525 181 HG11 VAL 28 1HG1 VAL 28 0.128 5.131 -7.888 182 HG12 VAL 28 2HG1 VAL 28 1.371 6.243 -8.466 183 HG13 VAL 28 3HG1 VAL 28 1.104 4.708 -9.295 184 HG21 VAL 28 3HG2 VAL 28 3.637 4.858 -8.908 185 HG22 VAL 28 1HG2 VAL 28 3.762 5.913 -7.500 186 HG23 VAL 28 2HG2 VAL 28 4.245 4.221 -7.380 187 H HIS 29 H HIS 29 0.993 2.701 -5.091 188 HA HIS 29 HA HIS 29 -1.780 3.110 -5.569 189 HB2 HIS 29 1HB HIS 29 -1.242 0.863 -5.569 190 HB3 HIS 29 2HB HIS 29 -0.140 1.018 -4.204 191 HD1 HIS 29 HD1 HIS 29 -3.854 0.943 -4.940 192 HD2 HIS 29 HD2 HIS 29 -1.218 0.362 -1.781 193 HE1 HIS 29 HE1 HIS 29 -5.256 0.059 -3.048 194 H GLN 30 H GLN 30 0.192 3.108 -2.611 195 HA GLN 30 HA GLN 30 -1.612 3.428 -0.641 196 HB2 GLN 30 1HB GLN 30 0.950 4.975 -1.035 197 HB3 GLN 30 2HB GLN 30 0.025 5.002 0.461 198 HG2 GLN 30 1HG GLN 30 0.804 2.364 -0.652 199 HG3 GLN 30 2HG GLN 30 2.051 3.357 0.101 200 HE21 GLN 30 1HE2 GLN 30 1.031 0.821 0.993 201 HE22 GLN 30 2HE2 GLN 30 0.363 1.074 2.565 202 H GLN 31 H GLN 31 -0.712 5.885 -2.997 203 HA GLN 31 HA GLN 31 -1.738 8.183 -2.026 204 HB2 GLN 31 1HB GLN 31 -2.082 7.069 -4.811 205 HB3 GLN 31 2HB GLN 31 -2.452 8.732 -4.375 206 HG2 GLN 31 1HG GLN 31 -0.036 8.851 -3.541 207 HG3 GLN 31 2HG GLN 31 0.210 7.363 -4.454 208 HE21 GLN 31 1HE2 GLN 31 0.952 7.644 -6.420 209 HE22 GLN 31 2HE2 GLN 31 0.702 9.029 -7.422 210 H THR 32 H THR 32 -3.662 5.623 -3.570 211 HA THR 32 HA THR 32 -6.153 6.699 -3.593 212 HB THR 32 HB THR 32 -5.591 4.380 -4.320 213 HG1 THR 32 HG1 THR 32 -7.733 4.613 -4.301 214 HG21 THR 32 3HG2 THR 32 -6.092 3.491 -1.502 215 HG22 THR 32 1HG2 THR 32 -4.461 3.896 -2.033 216 HG23 THR 32 2HG2 THR 32 -5.354 2.605 -2.836 217 H HIS 33 H HIS 33 -4.472 5.389 -0.774 218 HA HIS 33 HA HIS 33 -6.676 5.697 1.008 219 HB2 HIS 33 1HB HIS 33 -3.718 5.299 1.463 220 HB3 HIS 33 2HB HIS 33 -4.879 5.421 2.782 221 HD1 HIS 33 HD1 HIS 33 -7.046 3.606 2.246 222 HD2 HIS 33 HD2 HIS 33 -3.207 2.713 0.932 223 HE1 HIS 33 HE1 HIS 33 -7.020 1.117 1.890 224 H ALA 34 H ALA 34 -3.927 7.695 0.102 225 HA ALA 34 HA ALA 34 -4.126 9.641 2.106 226 HB1 ALA 34 3HB ALA 34 -2.721 9.317 -0.390 227 HB2 ALA 34 1HB ALA 34 -3.271 10.980 -0.184 228 HB3 ALA 34 2HB ALA 34 -2.260 10.225 1.049 229 H GLU 35 H GLU 35 -5.934 9.171 -0.850 230 HA GLU 35 HA GLU 35 -7.420 11.656 -0.324 231 HB2 GLU 35 1HB GLU 35 -6.239 11.035 -2.625 232 HB3 GLU 35 2HB GLU 35 -7.744 10.163 -2.882 233 HG2 GLU 35 1HG GLU 35 -8.323 12.151 -3.793 234 HG3 GLU 35 2HG GLU 35 -8.789 12.468 -2.124 235 H GLU 36 H GLU 36 -9.759 11.590 -0.762 236 HA GLU 36 HA GLU 36 -11.834 10.775 -0.310 237 HB2 GLU 36 1HB GLU 36 -10.483 8.476 -1.658 238 HB3 GLU 36 2HB GLU 36 -12.063 8.219 -0.931 239 HG2 GLU 36 1HG GLU 36 -12.708 8.787 -3.027 240 HG3 GLU 36 2HG GLU 36 -12.660 10.392 -2.300 241 H LYS 37 H LYS 37 -9.653 10.603 1.719 242 HA LYS 37 HA LYS 37 -10.949 8.630 3.479 243 HB2 LYS 37 1HB LYS 37 -8.058 9.058 2.909 244 HB3 LYS 37 2HB LYS 37 -8.513 8.664 4.561 245 HG2 LYS 37 1HG LYS 37 -9.305 7.019 2.170 246 HG3 LYS 37 2HG LYS 37 -7.873 6.709 3.155 247 HD2 LYS 37 1HD LYS 37 -9.408 6.568 5.146 248 HD3 LYS 37 2HD LYS 37 -10.761 6.611 4.013 249 HE2 LYS 37 1HE LYS 37 -8.544 4.565 3.991 250 HE3 LYS 37 2HE LYS 37 -10.141 4.317 4.698 251 HZ1 LYS 37 3HZ LYS 37 -9.483 3.701 2.171 252 HZ2 LYS 37 1HZ LYS 37 -10.167 5.234 1.959 253 HZ3 LYS 37 2HZ LYS 37 -11.062 4.004 2.697 254 HA PRO 38 HA PRO 38 -11.233 12.812 5.401 255 HB2 PRO 38 1HB PRO 38 -13.728 12.418 6.398 256 HB3 PRO 38 2HB PRO 38 -13.430 12.985 4.750 257 HG2 PRO 38 1HG PRO 38 -14.071 10.226 5.717 258 HG3 PRO 38 2HG PRO 38 -14.702 11.091 4.303 259 HD2 PRO 38 1HD PRO 38 -12.747 9.226 4.117 260 HD3 PRO 38 2HD PRO 38 -12.837 10.626 3.030 261 H SER 39 H SER 39 -10.409 13.134 7.366 262 HA SER 39 HA SER 39 -10.953 11.149 9.472 263 HB2 SER 39 1HB SER 39 -8.693 10.748 8.745 264 HB3 SER 39 2HB SER 39 -8.313 12.469 8.807 265 HG SER 39 HG SER 39 -9.099 10.954 11.071 266 H GLY 40 H GLY 40 -12.099 12.093 11.019 267 HA2 GLY 40 1HA GLY 40 -12.068 14.962 11.369 268 HA3 GLY 40 2HA GLY 40 -13.060 13.811 12.251 269 HA PRO 41 HA PRO 41 -9.078 15.218 14.580 270 HB2 PRO 41 1HB PRO 41 -9.934 17.489 15.796 271 HB3 PRO 41 2HB PRO 41 -9.113 17.488 14.230 272 HG2 PRO 41 1HG PRO 41 -12.039 17.668 14.834 273 HG3 PRO 41 2HG PRO 41 -11.082 18.583 13.655 274 HD2 PRO 41 1HD PRO 41 -12.625 16.472 12.954 275 HD3 PRO 41 2HD PRO 41 -11.114 16.871 12.112 276 H SER 42 H SER 42 -12.483 15.656 15.486 277 HA SER 42 HA SER 42 -11.899 14.690 18.185 278 HB2 SER 42 1HB SER 42 -13.273 16.708 18.017 279 HB3 SER 42 2HB SER 42 -14.441 15.847 17.015 280 HG SER 42 HG SER 42 -15.221 15.784 19.076 281 H SER 43 H SER 43 -14.122 14.007 15.492 282 HA SER 43 HA SER 43 -14.945 11.506 16.685 283 HB2 SER 43 1HB SER 43 -15.671 13.000 14.184 284 HB3 SER 43 2HB SER 43 -16.128 11.306 14.364 285 HG SER 43 HG SER 43 -17.734 12.803 15.118 286 H GLY 44 H GLY 44 -12.194 11.557 16.281 287 HA2 GLY 44 1HA GLY 44 -11.927 9.353 14.363 288 HA3 GLY 44 2HA GLY 44 -10.859 10.738 14.189 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.400 -16.498 -3.092 2 HA2 GLY 1 1HA GLY 1 -2.272 -14.486 -3.498 3 HA3 GLY 1 2HA GLY 1 -2.948 -15.943 -4.209 4 H SER 2 H SER 2 -4.554 -15.264 -2.431 5 HA SER 2 HA SER 2 -4.279 -15.362 0.228 6 HB2 SER 2 1HB SER 2 -6.461 -15.223 -0.930 7 HB3 SER 2 2HB SER 2 -6.376 -16.950 -1.273 8 HG SER 2 HG SER 2 -6.190 -15.966 1.365 9 H SER 3 H SER 3 -4.399 -18.262 -1.825 10 HA SER 3 HA SER 3 -2.762 -19.683 0.110 11 HB2 SER 3 1HB SER 3 -5.345 -19.994 0.542 12 HB3 SER 3 2HB SER 3 -5.224 -21.111 -0.818 13 HG SER 3 HG SER 3 -3.363 -22.000 0.462 14 H GLY 4 H GLY 4 -1.146 -20.419 -1.096 15 HA2 GLY 4 1HA GLY 4 -0.113 -21.763 -2.683 16 HA3 GLY 4 2HA GLY 4 -1.693 -22.119 -3.366 17 H SER 5 H SER 5 -0.133 -21.855 -5.305 18 HA SER 5 HA SER 5 0.785 -20.565 -6.991 19 HB2 SER 5 1HB SER 5 -2.029 -19.488 -6.705 20 HB3 SER 5 2HB SER 5 -0.999 -19.220 -8.112 21 HG SER 5 HG SER 5 -2.561 -21.291 -7.619 22 H SER 6 H SER 6 1.648 -19.537 -4.557 23 HA SER 6 HA SER 6 1.149 -16.776 -4.235 24 HB2 SER 6 1HB SER 6 2.162 -18.292 -2.504 25 HB3 SER 6 2HB SER 6 3.659 -18.265 -3.436 26 HG SER 6 HG SER 6 3.901 -16.653 -1.996 27 H GLY 7 H GLY 7 2.297 -14.968 -4.895 28 HA2 GLY 7 1HA GLY 7 3.914 -15.385 -7.310 29 HA3 GLY 7 2HA GLY 7 3.105 -13.891 -6.861 30 H GLU 8 H GLU 8 5.211 -12.935 -7.390 31 HA GLU 8 HA GLU 8 7.195 -13.295 -5.247 32 HB2 GLU 8 1HB GLU 8 8.789 -12.204 -6.810 33 HB3 GLU 8 2HB GLU 8 8.129 -13.711 -7.430 34 HG2 GLU 8 1HG GLU 8 6.464 -12.328 -8.710 35 HG3 GLU 8 2HG GLU 8 7.404 -10.912 -8.242 36 H LYS 9 H LYS 9 4.938 -11.815 -4.641 37 HA LYS 9 HA LYS 9 6.008 -9.070 -4.551 38 HB2 LYS 9 1HB LYS 9 3.526 -8.438 -4.243 39 HB3 LYS 9 2HB LYS 9 4.083 -8.858 -5.857 40 HG2 LYS 9 1HG LYS 9 3.023 -10.936 -5.812 41 HG3 LYS 9 2HG LYS 9 2.838 -10.904 -4.057 42 HD2 LYS 9 1HD LYS 9 0.702 -10.386 -4.737 43 HD3 LYS 9 2HD LYS 9 1.396 -8.774 -4.551 44 HE2 LYS 9 1HE LYS 9 0.200 -8.843 -6.624 45 HE3 LYS 9 2HE LYS 9 1.925 -8.793 -6.983 46 HZ1 LYS 9 3HZ LYS 9 1.901 -11.149 -7.403 47 HZ2 LYS 9 1HZ LYS 9 0.716 -10.405 -8.355 48 HZ3 LYS 9 2HZ LYS 9 0.271 -11.259 -6.965 49 HA PRO 10 HA PRO 10 5.725 -10.744 -0.230 50 HB2 PRO 10 1HB PRO 10 8.148 -9.795 0.543 51 HB3 PRO 10 2HB PRO 10 7.938 -11.362 -0.248 52 HG2 PRO 10 1HG PRO 10 8.795 -8.745 -1.424 53 HG3 PRO 10 2HG PRO 10 9.449 -10.369 -1.710 54 HD2 PRO 10 1HD PRO 10 7.740 -9.162 -3.430 55 HD3 PRO 10 2HD PRO 10 7.770 -10.921 -3.190 56 H PHE 11 H PHE 11 5.955 -7.728 -1.757 57 HA PHE 11 HA PHE 11 5.922 -6.156 0.677 58 HB2 PHE 11 1HB PHE 11 5.466 -5.224 -2.162 59 HB3 PHE 11 2HB PHE 11 5.874 -4.226 -0.770 60 HD1 PHE 11 HD1 PHE 11 7.162 -6.884 -2.999 61 HD2 PHE 11 HD2 PHE 11 8.105 -3.849 -0.168 62 HE1 PHE 11 HE1 PHE 11 9.552 -7.145 -3.521 63 HE2 PHE 11 HE2 PHE 11 10.496 -4.104 -0.686 64 HZ PHE 11 HZ PHE 11 11.223 -5.753 -2.365 65 H GLY 12 H GLY 12 4.105 -6.160 1.838 66 HA2 GLY 12 1HA GLY 12 1.538 -5.990 0.384 67 HA3 GLY 12 2HA GLY 12 1.731 -6.800 1.932 68 H CYS 13 H CYS 13 0.240 -4.306 0.747 69 HA CYS 13 HA CYS 13 1.098 -2.019 2.082 70 HB2 CYS 13 1HB CYS 13 -0.709 -2.181 0.318 71 HB3 CYS 13 2HB CYS 13 -1.792 -2.741 1.587 72 H SER 14 H SER 14 0.036 -0.941 3.935 73 HA SER 14 HA SER 14 -0.272 -2.851 6.128 74 HB2 SER 14 1HB SER 14 0.057 -0.868 7.591 75 HB3 SER 14 2HB SER 14 1.392 -1.107 6.464 76 HG SER 14 HG SER 14 0.993 0.944 6.086 77 H CYS 15 H CYS 15 -1.940 -0.156 4.576 78 HA CYS 15 HA CYS 15 -4.147 -0.132 6.376 79 HB2 CYS 15 1HB CYS 15 -3.306 1.695 4.695 80 HB3 CYS 15 2HB CYS 15 -4.353 0.858 3.555 81 HG CYS 15 HG CYS 15 -5.146 3.100 5.787 82 H CYS 16 H CYS 16 -3.559 -1.605 3.215 83 HA CYS 16 HA CYS 16 -6.058 -3.134 3.545 84 HB2 CYS 16 1HB CYS 16 -6.128 -3.335 1.096 85 HB3 CYS 16 2HB CYS 16 -6.141 -1.649 1.601 86 H GLU 17 H GLU 17 -5.824 -5.171 1.907 87 HA GLU 17 HA GLU 17 -3.457 -6.604 2.894 88 HB2 GLU 17 1HB GLU 17 -4.725 -8.654 2.506 89 HB3 GLU 17 2HB GLU 17 -5.624 -7.553 3.540 90 HG2 GLU 17 1HG GLU 17 -6.906 -6.824 1.534 91 HG3 GLU 17 2HG GLU 17 -6.092 -8.092 0.620 92 H LYS 18 H LYS 18 -3.566 -4.821 0.522 93 HA LYS 18 HA LYS 18 -3.332 -6.602 -1.748 94 HB2 LYS 18 1HB LYS 18 -2.922 -3.626 -1.436 95 HB3 LYS 18 2HB LYS 18 -2.699 -4.481 -2.957 96 HG2 LYS 18 1HG LYS 18 -5.084 -5.269 -2.723 97 HG3 LYS 18 2HG LYS 18 -5.240 -4.116 -1.396 98 HD2 LYS 18 1HD LYS 18 -4.743 -2.278 -2.858 99 HD3 LYS 18 2HD LYS 18 -4.355 -3.378 -4.184 100 HE2 LYS 18 1HE LYS 18 -7.062 -3.094 -2.882 101 HE3 LYS 18 2HE LYS 18 -6.589 -2.365 -4.416 102 HZ1 LYS 18 3HZ LYS 18 -7.809 -4.400 -4.785 103 HZ2 LYS 18 1HZ LYS 18 -6.718 -5.274 -3.832 104 HZ3 LYS 18 2HZ LYS 18 -6.208 -4.597 -5.296 105 H ALA 19 H ALA 19 -1.419 -6.821 -3.023 106 HA ALA 19 HA ALA 19 1.093 -6.157 -1.654 107 HB1 ALA 19 3HB ALA 19 1.877 -8.488 -2.495 108 HB2 ALA 19 1HB ALA 19 0.947 -8.366 -1.002 109 HB3 ALA 19 2HB ALA 19 0.155 -8.865 -2.496 110 H PHE 20 H PHE 20 2.885 -5.870 -3.002 111 HA PHE 20 HA PHE 20 2.362 -5.937 -5.893 112 HB2 PHE 20 1HB PHE 20 3.709 -3.663 -4.420 113 HB3 PHE 20 2HB PHE 20 3.474 -3.771 -6.162 114 HD1 PHE 20 HD2 PHE 20 1.822 -3.245 -2.931 115 HD2 PHE 20 HD1 PHE 20 1.346 -3.316 -7.160 116 HE1 PHE 20 HE2 PHE 20 -0.358 -2.129 -2.701 117 HE2 PHE 20 HE1 PHE 20 -0.835 -2.199 -6.937 118 HZ PHE 20 HZ PHE 20 -1.690 -1.606 -4.705 119 H SER 21 H SER 21 4.222 -6.155 -7.221 120 HA SER 21 HA SER 21 6.217 -7.851 -6.127 121 HB2 SER 21 1HB SER 21 7.202 -7.804 -8.380 122 HB3 SER 21 2HB SER 21 5.457 -8.052 -8.459 123 HG SER 21 HG SER 21 6.744 -6.276 -9.768 124 H SER 22 H SER 22 6.224 -4.478 -7.210 125 HA SER 22 HA SER 22 8.919 -4.174 -6.065 126 HB2 SER 22 1HB SER 22 7.490 -2.417 -8.075 127 HB3 SER 22 2HB SER 22 9.130 -2.170 -7.475 128 HG SER 22 HG SER 22 9.467 -4.417 -8.316 129 H LYS 23 H LYS 23 9.355 -2.015 -5.074 130 HA LYS 23 HA LYS 23 7.359 -1.468 -3.087 131 HB2 LYS 23 1HB LYS 23 10.158 -0.608 -3.616 132 HB3 LYS 23 2HB LYS 23 9.165 0.446 -2.617 133 HG2 LYS 23 1HG LYS 23 9.262 -2.460 -1.980 134 HG3 LYS 23 2HG LYS 23 10.636 -1.438 -1.549 135 HD2 LYS 23 1HD LYS 23 7.849 -0.614 -0.826 136 HD3 LYS 23 2HD LYS 23 8.719 -1.786 0.167 137 HE2 LYS 23 1HE LYS 23 9.743 0.958 -0.556 138 HE3 LYS 23 2HE LYS 23 8.949 0.551 0.964 139 HZ1 LYS 23 3HZ LYS 23 11.621 0.396 0.463 140 HZ2 LYS 23 1HZ LYS 23 11.116 -1.215 0.352 141 HZ3 LYS 23 2HZ LYS 23 10.814 -0.329 1.760 142 H SER 24 H SER 24 8.924 0.491 -5.621 143 HA SER 24 HA SER 24 7.686 2.880 -5.344 144 HB2 SER 24 1HB SER 24 8.191 3.330 -7.579 145 HB3 SER 24 2HB SER 24 9.311 2.023 -7.195 146 HG SER 24 HG SER 24 8.214 1.667 -9.174 147 H TYR 25 H TYR 25 6.308 0.041 -6.966 148 HA TYR 25 HA TYR 25 3.903 1.219 -7.786 149 HB2 TYR 25 1HB TYR 25 4.807 -1.586 -7.292 150 HB3 TYR 25 2HB TYR 25 3.091 -1.283 -7.538 151 HD1 TYR 25 HD1 TYR 25 3.022 0.759 -9.584 152 HD2 TYR 25 HD2 TYR 25 5.634 -2.578 -9.212 153 HE1 TYR 25 HE1 TYR 25 3.369 0.768 -12.019 154 HE2 TYR 25 HE2 TYR 25 5.990 -2.578 -11.645 155 HH TYR 25 HH TYR 25 4.612 -1.744 -13.706 156 H LEU 26 H LEU 26 4.696 -0.580 -4.827 157 HA LEU 26 HA LEU 26 2.149 -0.514 -3.667 158 HB2 LEU 26 1HB LEU 26 3.730 -1.988 -2.742 159 HB3 LEU 26 2HB LEU 26 4.914 -0.703 -2.516 160 HG LEU 26 HG LEU 26 3.504 0.242 -0.723 161 HD11 LEU 26 1HD1 LEU 26 1.550 -1.458 -1.823 162 HD12 LEU 26 2HD1 LEU 26 1.397 -0.379 -0.437 163 HD13 LEU 26 3HD1 LEU 26 1.889 -2.056 -0.199 164 HD21 LEU 26 3HD2 LEU 26 4.811 -2.379 -0.660 165 HD22 LEU 26 1HD2 LEU 26 3.690 -2.090 0.670 166 HD23 LEU 26 2HD2 LEU 26 5.026 -0.975 0.386 167 H LEU 27 H LEU 27 4.888 1.721 -3.330 168 HA LEU 27 HA LEU 27 3.781 3.450 -1.452 169 HB2 LEU 27 1HB LEU 27 5.708 3.962 -3.706 170 HB3 LEU 27 2HB LEU 27 5.295 5.174 -2.496 171 HG LEU 27 HG LEU 27 6.418 2.515 -1.685 172 HD11 LEU 27 1HD1 LEU 27 7.989 3.345 -3.305 173 HD12 LEU 27 2HD1 LEU 27 8.651 3.580 -1.688 174 HD13 LEU 27 3HD1 LEU 27 7.965 4.946 -2.566 175 HD21 LEU 27 3HD2 LEU 27 5.735 3.589 0.216 176 HD22 LEU 27 1HD2 LEU 27 6.007 5.196 -0.459 177 HD23 LEU 27 2HD2 LEU 27 7.376 4.222 0.077 178 H VAL 28 H VAL 28 3.830 3.868 -4.997 179 HA VAL 28 HA VAL 28 2.266 6.133 -5.174 180 HB VAL 28 HB VAL 28 2.320 3.799 -7.092 181 HG11 VAL 28 1HG1 VAL 28 0.888 4.886 -8.397 182 HG12 VAL 28 2HG1 VAL 28 0.621 6.027 -7.077 183 HG13 VAL 28 3HG1 VAL 28 1.847 6.362 -8.301 184 HG21 VAL 28 3HG2 VAL 28 4.472 4.455 -7.251 185 HG22 VAL 28 1HG2 VAL 28 3.797 5.751 -8.239 186 HG23 VAL 28 2HG2 VAL 28 4.153 6.035 -6.535 187 H HIS 29 H HIS 29 1.251 2.769 -4.865 188 HA HIS 29 HA HIS 29 -1.482 3.094 -5.344 189 HB2 HIS 29 1HB HIS 29 -0.889 0.871 -5.253 190 HB3 HIS 29 2HB HIS 29 0.173 1.100 -3.866 191 HD1 HIS 29 HD1 HIS 29 -3.527 0.920 -4.673 192 HD2 HIS 29 HD2 HIS 29 -0.930 0.415 -1.470 193 HE1 HIS 29 HE1 HIS 29 -4.940 0.020 -2.798 194 H GLN 30 H GLN 30 0.275 3.139 -2.245 195 HA GLN 30 HA GLN 30 -1.729 3.511 -0.461 196 HB2 GLN 30 1HB GLN 30 1.055 4.544 -0.621 197 HB3 GLN 30 2HB GLN 30 0.002 5.247 0.599 198 HG2 GLN 30 1HG GLN 30 -0.114 3.327 1.813 199 HG3 GLN 30 2HG GLN 30 0.114 2.291 0.405 200 HE21 GLN 30 1HE2 GLN 30 1.986 1.297 0.303 201 HE22 GLN 30 2HE2 GLN 30 3.464 1.823 1.026 202 H GLN 31 H GLN 31 -0.451 5.916 -2.689 203 HA GLN 31 HA GLN 31 -1.474 8.258 -1.769 204 HB2 GLN 31 1HB GLN 31 -1.494 7.263 -4.623 205 HB3 GLN 31 2HB GLN 31 -1.758 8.937 -4.152 206 HG2 GLN 31 1HG GLN 31 0.454 9.155 -3.344 207 HG3 GLN 31 2HG GLN 31 0.735 7.418 -3.450 208 HE21 GLN 31 1HE2 GLN 31 2.413 9.316 -4.604 209 HE22 GLN 31 2HE2 GLN 31 2.334 9.153 -6.322 210 H THR 32 H THR 32 -3.256 5.713 -3.455 211 HA THR 32 HA THR 32 -5.679 6.976 -3.857 212 HB THR 32 HB THR 32 -6.725 4.786 -3.855 213 HG1 THR 32 HG1 THR 32 -4.282 3.737 -2.841 214 HG21 THR 32 3HG2 THR 32 -3.993 4.234 -4.937 215 HG22 THR 32 1HG2 THR 32 -4.959 5.535 -5.632 216 HG23 THR 32 2HG2 THR 32 -5.569 3.880 -5.642 217 H HIS 33 H HIS 33 -4.444 5.432 -0.930 218 HA HIS 33 HA HIS 33 -6.786 5.528 0.601 219 HB2 HIS 33 1HB HIS 33 -3.866 5.529 1.331 220 HB3 HIS 33 2HB HIS 33 -5.120 5.600 2.566 221 HD1 HIS 33 HD1 HIS 33 -7.098 3.555 1.758 222 HD2 HIS 33 HD2 HIS 33 -3.017 2.974 1.238 223 HE1 HIS 33 HE1 HIS 33 -6.786 1.063 1.618 224 H ALA 34 H ALA 34 -4.643 8.023 -0.395 225 HA ALA 34 HA ALA 34 -4.899 9.918 1.607 226 HB1 ALA 34 3HB ALA 34 -4.877 10.532 -1.342 227 HB2 ALA 34 1HB ALA 34 -4.320 11.563 -0.024 228 HB3 ALA 34 2HB ALA 34 -3.444 10.083 -0.417 229 H GLU 35 H GLU 35 -7.175 8.989 -0.896 230 HA GLU 35 HA GLU 35 -8.953 11.181 -0.539 231 HB2 GLU 35 1HB GLU 35 -10.338 10.132 -2.074 232 HB3 GLU 35 2HB GLU 35 -8.758 9.498 -2.513 233 HG2 GLU 35 1HG GLU 35 -9.208 7.444 -1.328 234 HG3 GLU 35 2HG GLU 35 -10.752 8.079 -0.763 235 H GLU 36 H GLU 36 -8.668 7.989 0.901 236 HA GLU 36 HA GLU 36 -11.157 8.236 2.348 237 HB2 GLU 36 1HB GLU 36 -9.046 6.160 2.056 238 HB3 GLU 36 2HB GLU 36 -10.017 6.126 3.522 239 HG2 GLU 36 1HG GLU 36 -11.415 6.338 0.910 240 HG3 GLU 36 2HG GLU 36 -10.713 4.787 1.368 241 H LYS 37 H LYS 37 -9.384 10.359 2.858 242 HA LYS 37 HA LYS 37 -8.874 9.927 5.721 243 HB2 LYS 37 1HB LYS 37 -6.809 10.051 4.071 244 HB3 LYS 37 2HB LYS 37 -7.107 11.781 4.183 245 HG2 LYS 37 1HG LYS 37 -6.722 11.789 6.519 246 HG3 LYS 37 2HG LYS 37 -6.744 10.025 6.596 247 HD2 LYS 37 1HD LYS 37 -4.663 9.843 5.531 248 HD3 LYS 37 2HD LYS 37 -4.726 11.502 4.932 249 HE2 LYS 37 1HE LYS 37 -3.226 11.666 6.685 250 HE3 LYS 37 2HE LYS 37 -4.744 12.140 7.445 251 HZ1 LYS 37 3HZ LYS 37 -3.995 10.634 8.954 252 HZ2 LYS 37 1HZ LYS 37 -3.165 9.705 7.809 253 HZ3 LYS 37 2HZ LYS 37 -4.846 9.578 7.942 254 HA PRO 38 HA PRO 38 -11.376 13.520 6.226 255 HB2 PRO 38 1HB PRO 38 -10.625 14.185 8.749 256 HB3 PRO 38 2HB PRO 38 -11.681 12.813 8.391 257 HG2 PRO 38 1HG PRO 38 -8.741 12.843 8.954 258 HG3 PRO 38 2HG PRO 38 -9.983 11.725 9.548 259 HD2 PRO 38 1HD PRO 38 -8.321 11.104 7.502 260 HD3 PRO 38 2HD PRO 38 -9.986 10.495 7.599 261 H SER 39 H SER 39 -8.030 13.546 5.965 262 HA SER 39 HA SER 39 -7.397 16.188 6.723 263 HB2 SER 39 1HB SER 39 -5.680 14.463 6.371 264 HB3 SER 39 2HB SER 39 -6.062 14.428 4.650 265 HG SER 39 HG SER 39 -4.446 16.106 5.994 266 H GLY 40 H GLY 40 -7.977 14.815 3.477 267 HA2 GLY 40 1HA GLY 40 -7.984 17.348 2.183 268 HA3 GLY 40 2HA GLY 40 -8.553 15.833 1.497 269 HA PRO 41 HA PRO 41 -12.054 18.803 2.971 270 HB2 PRO 41 1HB PRO 41 -12.394 20.369 0.779 271 HB3 PRO 41 2HB PRO 41 -11.340 20.817 2.125 272 HG2 PRO 41 1HG PRO 41 -10.625 19.603 -0.516 273 HG3 PRO 41 2HG PRO 41 -9.817 20.908 0.371 274 HD2 PRO 41 1HD PRO 41 -8.908 18.358 0.383 275 HD3 PRO 41 2HD PRO 41 -8.719 19.445 1.773 276 H SER 42 H SER 42 -11.350 17.537 -0.266 277 HA SER 42 HA SER 42 -14.089 17.127 -0.958 278 HB2 SER 42 1HB SER 42 -13.222 15.951 -2.908 279 HB3 SER 42 2HB SER 42 -12.298 17.430 -2.649 280 HG SER 42 HG SER 42 -11.410 15.019 -1.515 281 H SER 43 H SER 43 -15.386 15.576 -0.259 282 HA SER 43 HA SER 43 -14.204 13.192 0.979 283 HB2 SER 43 1HB SER 43 -15.734 14.474 2.401 284 HB3 SER 43 2HB SER 43 -17.009 14.315 1.193 285 HG SER 43 HG SER 43 -16.374 12.631 3.146 286 H GLY 44 H GLY 44 -13.758 12.228 -1.103 287 HA2 GLY 44 1HA GLY 44 -15.484 10.248 -1.879 288 HA3 GLY 44 2HA GLY 44 -15.904 11.612 -2.904 Start of MODEL 8 1 H1 GLY 1 H GLY 1 12.387 -22.839 -13.984 2 HA2 GLY 1 1HA GLY 1 10.007 -23.205 -12.902 3 HA3 GLY 1 2HA GLY 1 10.018 -24.549 -14.035 4 H SER 2 H SER 2 12.456 -23.149 -11.843 5 HA SER 2 HA SER 2 13.101 -25.861 -10.949 6 HB2 SER 2 1HB SER 2 14.579 -23.275 -11.044 7 HB3 SER 2 2HB SER 2 15.005 -24.413 -9.766 8 HG SER 2 HG SER 2 15.094 -25.989 -11.614 9 H SER 3 H SER 3 12.289 -22.661 -9.656 10 HA SER 3 HA SER 3 11.064 -23.917 -7.342 11 HB2 SER 3 1HB SER 3 13.385 -21.993 -7.115 12 HB3 SER 3 2HB SER 3 12.295 -22.359 -5.778 13 HG SER 3 HG SER 3 12.894 -24.622 -6.181 14 H GLY 4 H GLY 4 9.230 -22.904 -6.831 15 HA2 GLY 4 1HA GLY 4 7.482 -21.415 -7.118 16 HA3 GLY 4 2HA GLY 4 8.674 -20.280 -6.504 17 H SER 5 H SER 5 9.294 -18.649 -7.780 18 HA SER 5 HA SER 5 9.347 -18.833 -10.632 19 HB2 SER 5 1HB SER 5 7.012 -17.575 -9.271 20 HB3 SER 5 2HB SER 5 7.655 -16.772 -10.703 21 HG SER 5 HG SER 5 7.327 -18.680 -11.864 22 H SER 6 H SER 6 9.805 -16.613 -11.610 23 HA SER 6 HA SER 6 11.696 -15.245 -9.838 24 HB2 SER 6 1HB SER 6 11.515 -15.667 -12.782 25 HB3 SER 6 2HB SER 6 12.290 -14.188 -12.215 26 HG SER 6 HG SER 6 13.016 -16.642 -11.069 27 H GLY 7 H GLY 7 9.993 -14.077 -8.739 28 HA2 GLY 7 1HA GLY 7 9.725 -11.475 -9.179 29 HA3 GLY 7 2HA GLY 7 8.534 -12.098 -10.310 30 H GLU 8 H GLU 8 9.485 -12.411 -6.891 31 HA GLU 8 HA GLU 8 6.737 -13.032 -6.168 32 HB2 GLU 8 1HB GLU 8 8.785 -14.178 -5.170 33 HB3 GLU 8 2HB GLU 8 9.066 -12.685 -4.286 34 HG2 GLU 8 1HG GLU 8 7.863 -14.463 -3.014 35 HG3 GLU 8 2HG GLU 8 7.038 -12.907 -3.085 36 H LYS 9 H LYS 9 5.596 -11.849 -4.523 37 HA LYS 9 HA LYS 9 6.406 -9.022 -4.336 38 HB2 LYS 9 1HB LYS 9 3.870 -8.586 -4.246 39 HB3 LYS 9 2HB LYS 9 4.591 -8.946 -5.809 40 HG2 LYS 9 1HG LYS 9 3.917 -11.386 -5.295 41 HG3 LYS 9 2HG LYS 9 2.841 -10.661 -4.098 42 HD2 LYS 9 1HD LYS 9 2.888 -9.865 -7.004 43 HD3 LYS 9 2HD LYS 9 1.799 -11.086 -6.342 44 HE2 LYS 9 1HE LYS 9 0.981 -9.349 -4.732 45 HE3 LYS 9 2HE LYS 9 1.937 -8.163 -5.620 46 HZ1 LYS 9 3HZ LYS 9 -0.634 -9.044 -6.193 47 HZ2 LYS 9 1HZ LYS 9 0.360 -9.638 -7.427 48 HZ3 LYS 9 2HZ LYS 9 0.319 -7.979 -7.098 49 HA PRO 10 HA PRO 10 5.845 -10.845 -0.090 50 HB2 PRO 10 1HB PRO 10 8.159 -9.838 0.911 51 HB3 PRO 10 2HB PRO 10 8.071 -11.391 0.070 52 HG2 PRO 10 1HG PRO 10 8.935 -8.720 -0.969 53 HG3 PRO 10 2HG PRO 10 9.667 -10.313 -1.234 54 HD2 PRO 10 1HD PRO 10 8.071 -9.120 -3.068 55 HD3 PRO 10 2HD PRO 10 8.141 -10.882 -2.865 56 H PHE 11 H PHE 11 6.061 -7.797 -1.533 57 HA PHE 11 HA PHE 11 5.821 -6.261 0.907 58 HB2 PHE 11 1HB PHE 11 5.579 -5.437 -1.994 59 HB3 PHE 11 2HB PHE 11 5.566 -4.327 -0.627 60 HD1 PHE 11 HD1 PHE 11 7.638 -6.794 -2.440 61 HD2 PHE 11 HD2 PHE 11 7.566 -3.578 0.347 62 HE1 PHE 11 HE1 PHE 11 10.094 -6.667 -2.529 63 HE2 PHE 11 HE2 PHE 11 10.021 -3.445 0.262 64 HZ PHE 11 HZ PHE 11 11.289 -4.990 -1.177 65 H GLY 12 H GLY 12 3.983 -5.712 1.894 66 HA2 GLY 12 1HA GLY 12 1.463 -5.944 0.377 67 HA3 GLY 12 2HA GLY 12 1.622 -6.660 1.974 68 H CYS 13 H CYS 13 0.273 -4.167 0.454 69 HA CYS 13 HA CYS 13 0.915 -1.811 1.653 70 HB2 CYS 13 1HB CYS 13 -1.000 -2.389 -0.003 71 HB3 CYS 13 2HB CYS 13 -1.973 -2.614 1.446 72 H SER 14 H SER 14 -0.387 -0.640 3.391 73 HA SER 14 HA SER 14 -0.405 -2.340 5.781 74 HB2 SER 14 1HB SER 14 1.071 -0.511 6.078 75 HB3 SER 14 2HB SER 14 -0.079 0.632 5.383 76 HG SER 14 HG SER 14 -0.569 0.966 7.404 77 H CYS 15 H CYS 15 -2.318 0.154 4.139 78 HA CYS 15 HA CYS 15 -4.502 0.031 5.957 79 HB2 CYS 15 1HB CYS 15 -3.956 1.958 4.415 80 HB3 CYS 15 2HB CYS 15 -4.585 0.984 3.091 81 HG CYS 15 HG CYS 15 -6.424 2.998 4.011 82 H CYS 16 H CYS 16 -3.847 -1.448 2.808 83 HA CYS 16 HA CYS 16 -6.220 -3.153 3.192 84 HB2 CYS 16 1HB CYS 16 -6.279 -3.441 0.771 85 HB3 CYS 16 2HB CYS 16 -6.325 -1.729 1.181 86 H GLU 17 H GLU 17 -5.824 -5.236 1.645 87 HA GLU 17 HA GLU 17 -3.396 -6.473 2.740 88 HB2 GLU 17 1HB GLU 17 -6.070 -7.553 1.913 89 HB3 GLU 17 2HB GLU 17 -4.672 -8.617 1.982 90 HG2 GLU 17 1HG GLU 17 -5.987 -8.709 4.031 91 HG3 GLU 17 2HG GLU 17 -4.358 -8.103 4.326 92 H LYS 18 H LYS 18 -3.502 -4.781 0.322 93 HA LYS 18 HA LYS 18 -3.115 -6.607 -1.891 94 HB2 LYS 18 1HB LYS 18 -2.838 -3.609 -1.650 95 HB3 LYS 18 2HB LYS 18 -2.542 -4.496 -3.139 96 HG2 LYS 18 1HG LYS 18 -4.902 -5.375 -2.934 97 HG3 LYS 18 2HG LYS 18 -5.134 -4.179 -1.656 98 HD2 LYS 18 1HD LYS 18 -4.505 -2.400 -3.239 99 HD3 LYS 18 2HD LYS 18 -4.336 -3.611 -4.512 100 HE2 LYS 18 1HE LYS 18 -6.873 -3.051 -2.980 101 HE3 LYS 18 2HE LYS 18 -6.503 -2.419 -4.583 102 HZ1 LYS 18 3HZ LYS 18 -7.089 -4.331 -5.524 103 HZ2 LYS 18 1HZ LYS 18 -7.759 -4.776 -4.035 104 HZ3 LYS 18 2HZ LYS 18 -6.187 -5.257 -4.432 105 H ALA 19 H ALA 19 -1.126 -6.511 -3.208 106 HA ALA 19 HA ALA 19 1.291 -5.821 -1.707 107 HB1 ALA 19 3HB ALA 19 0.566 -8.556 -2.693 108 HB2 ALA 19 1HB ALA 19 2.253 -8.069 -2.518 109 HB3 ALA 19 2HB ALA 19 1.184 -8.068 -1.115 110 H PHE 20 H PHE 20 3.227 -5.764 -3.048 111 HA PHE 20 HA PHE 20 2.802 -5.722 -5.930 112 HB2 PHE 20 1HB PHE 20 3.883 -3.315 -4.450 113 HB3 PHE 20 2HB PHE 20 3.692 -3.469 -6.194 114 HD1 PHE 20 HD2 PHE 20 1.827 -3.322 -3.001 115 HD2 PHE 20 HD1 PHE 20 1.663 -2.943 -7.238 116 HE1 PHE 20 HE2 PHE 20 -0.449 -2.403 -2.828 117 HE2 PHE 20 HE1 PHE 20 -0.612 -2.022 -7.071 118 HZ PHE 20 HZ PHE 20 -1.672 -1.752 -4.864 119 H SER 21 H SER 21 4.536 -6.431 -7.020 120 HA SER 21 HA SER 21 6.692 -7.630 -5.743 121 HB2 SER 21 1HB SER 21 6.251 -8.372 -7.931 122 HB3 SER 21 2HB SER 21 6.254 -6.734 -8.584 123 HG SER 21 HG SER 21 8.518 -6.675 -8.136 124 H SER 22 H SER 22 6.395 -4.401 -7.131 125 HA SER 22 HA SER 22 9.071 -3.755 -6.084 126 HB2 SER 22 1HB SER 22 7.529 -2.189 -8.159 127 HB3 SER 22 2HB SER 22 9.230 -2.018 -7.728 128 HG SER 22 HG SER 22 7.972 -4.151 -9.096 129 H LYS 23 H LYS 23 9.260 -2.313 -4.490 130 HA LYS 23 HA LYS 23 7.162 -1.474 -2.922 131 HB2 LYS 23 1HB LYS 23 9.753 -1.391 -2.547 132 HB3 LYS 23 2HB LYS 23 9.603 0.249 -3.166 133 HG2 LYS 23 1HG LYS 23 8.309 0.944 -1.365 134 HG3 LYS 23 2HG LYS 23 7.872 -0.707 -0.919 135 HD2 LYS 23 1HD LYS 23 9.451 0.042 0.689 136 HD3 LYS 23 2HD LYS 23 10.304 -1.081 -0.373 137 HE2 LYS 23 1HE LYS 23 11.498 0.613 -1.413 138 HE3 LYS 23 2HE LYS 23 10.336 1.854 -0.947 139 HZ1 LYS 23 3HZ LYS 23 12.245 0.468 0.857 140 HZ2 LYS 23 1HZ LYS 23 11.077 1.585 1.361 141 HZ3 LYS 23 2HZ LYS 23 12.336 2.078 0.344 142 H SER 24 H SER 24 8.860 0.433 -5.405 143 HA SER 24 HA SER 24 7.653 2.838 -5.258 144 HB2 SER 24 1HB SER 24 8.424 1.197 -7.654 145 HB3 SER 24 2HB SER 24 7.685 2.785 -7.863 146 HG SER 24 HG SER 24 9.385 3.624 -6.536 147 H TYR 25 H TYR 25 6.284 0.064 -7.025 148 HA TYR 25 HA TYR 25 3.902 1.262 -7.820 149 HB2 TYR 25 1HB TYR 25 4.775 -1.557 -7.367 150 HB3 TYR 25 2HB TYR 25 3.060 -1.243 -7.608 151 HD1 TYR 25 HD1 TYR 25 2.980 0.821 -9.620 152 HD2 TYR 25 HD2 TYR 25 5.616 -2.504 -9.301 153 HE1 TYR 25 HE1 TYR 25 3.327 0.871 -12.054 154 HE2 TYR 25 HE2 TYR 25 5.972 -2.462 -11.735 155 HH TYR 25 HH TYR 25 4.166 -0.260 -13.818 156 H LEU 26 H LEU 26 4.491 -0.766 -4.948 157 HA LEU 26 HA LEU 26 1.968 -0.635 -3.822 158 HB2 LEU 26 1HB LEU 26 3.514 -2.132 -2.880 159 HB3 LEU 26 2HB LEU 26 4.701 -0.859 -2.604 160 HG LEU 26 HG LEU 26 3.232 0.069 -0.839 161 HD11 LEU 26 1HD1 LEU 26 1.143 -0.616 -0.539 162 HD12 LEU 26 2HD1 LEU 26 1.650 -2.301 -0.431 163 HD13 LEU 26 3HD1 LEU 26 1.309 -1.582 -2.005 164 HD21 LEU 26 3HD2 LEU 26 4.973 -2.022 -0.696 165 HD22 LEU 26 1HD2 LEU 26 3.533 -2.701 0.062 166 HD23 LEU 26 2HD2 LEU 26 4.245 -1.215 0.693 167 H LEU 27 H LEU 27 4.680 1.616 -3.457 168 HA LEU 27 HA LEU 27 3.521 3.307 -1.551 169 HB2 LEU 27 1HB LEU 27 5.586 3.748 -3.683 170 HB3 LEU 27 2HB LEU 27 5.073 5.048 -2.610 171 HG LEU 27 HG LEU 27 6.238 2.450 -1.626 172 HD11 LEU 27 1HD1 LEU 27 7.770 3.822 -3.121 173 HD12 LEU 27 2HD1 LEU 27 8.357 3.450 -1.500 174 HD13 LEU 27 3HD1 LEU 27 7.717 5.053 -1.859 175 HD21 LEU 27 3HD2 LEU 27 6.582 4.796 0.018 176 HD22 LEU 27 1HD2 LEU 27 5.862 3.237 0.418 177 HD23 LEU 27 2HD2 LEU 27 4.876 4.499 -0.322 178 H VAL 28 H VAL 28 3.723 3.785 -5.083 179 HA VAL 28 HA VAL 28 2.179 6.061 -5.288 180 HB VAL 28 HB VAL 28 2.295 3.761 -7.244 181 HG11 VAL 28 1HG1 VAL 28 1.482 6.631 -7.692 182 HG12 VAL 28 2HG1 VAL 28 1.602 5.376 -8.926 183 HG13 VAL 28 3HG1 VAL 28 0.388 5.249 -7.653 184 HG21 VAL 28 3HG2 VAL 28 3.878 6.325 -7.247 185 HG22 VAL 28 1HG2 VAL 28 4.479 4.801 -6.594 186 HG23 VAL 28 2HG2 VAL 28 4.084 4.931 -8.308 187 H HIS 29 H HIS 29 1.153 2.724 -4.931 188 HA HIS 29 HA HIS 29 -1.574 3.092 -5.553 189 HB2 HIS 29 1HB HIS 29 -0.956 0.860 -5.550 190 HB3 HIS 29 2HB HIS 29 -0.006 1.017 -4.074 191 HD1 HIS 29 HD1 HIS 29 -3.572 0.683 -5.247 192 HD2 HIS 29 HD2 HIS 29 -1.358 0.457 -1.739 193 HE1 HIS 29 HE1 HIS 29 -5.149 -0.233 -3.515 194 H GLN 30 H GLN 30 0.128 3.027 -2.428 195 HA GLN 30 HA GLN 30 -1.935 3.340 -0.678 196 HB2 GLN 30 1HB GLN 30 0.880 4.295 -0.707 197 HB3 GLN 30 2HB GLN 30 -0.190 4.976 0.512 198 HG2 GLN 30 1HG GLN 30 -0.396 3.011 1.636 199 HG3 GLN 30 2HG GLN 30 -0.163 2.030 0.190 200 HE21 GLN 30 1HE2 GLN 30 1.761 1.141 -0.134 201 HE22 GLN 30 2HE2 GLN 30 3.203 1.522 0.737 202 H GLN 31 H GLN 31 -0.499 5.823 -2.724 203 HA GLN 31 HA GLN 31 -1.459 8.150 -1.754 204 HB2 GLN 31 1HB GLN 31 -1.456 7.215 -4.624 205 HB3 GLN 31 2HB GLN 31 -1.788 8.876 -4.151 206 HG2 GLN 31 1HG GLN 31 0.382 9.250 -3.447 207 HG3 GLN 31 2HG GLN 31 0.723 7.531 -3.257 208 HE21 GLN 31 1HE2 GLN 31 2.661 8.381 -4.486 209 HE22 GLN 31 2HE2 GLN 31 2.579 8.293 -6.209 210 H THR 32 H THR 32 -3.344 5.713 -3.477 211 HA THR 32 HA THR 32 -5.718 7.063 -3.863 212 HB THR 32 HB THR 32 -6.854 4.872 -3.743 213 HG1 THR 32 HG1 THR 32 -5.196 3.071 -3.401 214 HG21 THR 32 3HG2 THR 32 -4.788 5.642 -5.493 215 HG22 THR 32 1HG2 THR 32 -6.100 4.507 -5.808 216 HG23 THR 32 2HG2 THR 32 -4.559 3.922 -5.181 217 H HIS 33 H HIS 33 -4.605 5.368 -0.955 218 HA HIS 33 HA HIS 33 -6.950 5.686 0.561 219 HB2 HIS 33 1HB HIS 33 -4.069 5.407 1.436 220 HB3 HIS 33 2HB HIS 33 -5.446 5.328 2.532 221 HD1 HIS 33 HD1 HIS 33 -7.342 3.483 1.142 222 HD2 HIS 33 HD2 HIS 33 -3.235 2.855 1.155 223 HE1 HIS 33 HE1 HIS 33 -7.036 1.027 0.698 224 H ALA 34 H ALA 34 -4.120 7.753 0.146 225 HA ALA 34 HA ALA 34 -4.530 9.618 2.135 226 HB1 ALA 34 3HB ALA 34 -3.014 9.461 -0.289 227 HB2 ALA 34 1HB ALA 34 -3.699 11.077 -0.119 228 HB3 ALA 34 2HB ALA 34 -2.695 10.404 1.167 229 H GLU 35 H GLU 35 -6.101 9.369 -1.015 230 HA GLU 35 HA GLU 35 -7.433 11.838 -0.991 231 HB2 GLU 35 1HB GLU 35 -7.182 9.951 -2.839 232 HB3 GLU 35 2HB GLU 35 -8.750 9.458 -2.214 233 HG2 GLU 35 1HG GLU 35 -9.796 11.370 -2.938 234 HG3 GLU 35 2HG GLU 35 -8.304 12.309 -2.953 235 H GLU 36 H GLU 36 -10.005 11.758 -1.092 236 HA GLU 36 HA GLU 36 -11.932 11.708 0.115 237 HB2 GLU 36 1HB GLU 36 -10.744 9.024 0.656 238 HB3 GLU 36 2HB GLU 36 -12.130 9.531 1.610 239 HG2 GLU 36 1HG GLU 36 -12.641 8.169 -0.436 240 HG3 GLU 36 2HG GLU 36 -13.509 9.697 -0.291 241 H LYS 37 H LYS 37 -9.543 12.971 1.215 242 HA LYS 37 HA LYS 37 -9.956 12.623 4.101 243 HB2 LYS 37 1HB LYS 37 -7.694 13.576 2.421 244 HB3 LYS 37 2HB LYS 37 -7.878 14.304 4.012 245 HG2 LYS 37 1HG LYS 37 -7.696 12.163 5.077 246 HG3 LYS 37 2HG LYS 37 -7.702 11.340 3.515 247 HD2 LYS 37 1HD LYS 37 -5.443 11.407 4.178 248 HD3 LYS 37 2HD LYS 37 -5.613 12.684 2.971 249 HE2 LYS 37 1HE LYS 37 -4.377 13.687 4.675 250 HE3 LYS 37 2HE LYS 37 -6.025 14.242 4.967 251 HZ1 LYS 37 3HZ LYS 37 -6.263 12.825 6.775 252 HZ2 LYS 37 1HZ LYS 37 -4.678 13.394 6.942 253 HZ3 LYS 37 2HZ LYS 37 -4.959 11.846 6.324 254 HA PRO 38 HA PRO 38 -12.249 16.381 4.319 255 HB2 PRO 38 1HB PRO 38 -11.915 16.906 6.962 256 HB3 PRO 38 2HB PRO 38 -12.984 15.632 6.363 257 HG2 PRO 38 1HG PRO 38 -10.197 15.418 7.434 258 HG3 PRO 38 2HG PRO 38 -11.600 14.381 7.751 259 HD2 PRO 38 1HD PRO 38 -9.648 13.698 6.002 260 HD3 PRO 38 2HD PRO 38 -11.342 13.216 5.778 261 H SER 39 H SER 39 -11.045 17.839 3.105 262 HA SER 39 HA SER 39 -9.000 19.356 4.590 263 HB2 SER 39 1HB SER 39 -9.203 18.950 1.596 264 HB3 SER 39 2HB SER 39 -7.965 19.892 2.427 265 HG SER 39 HG SER 39 -6.965 18.022 2.347 266 H GLY 40 H GLY 40 -10.218 20.996 5.414 267 HA2 GLY 40 1HA GLY 40 -12.391 22.269 4.283 268 HA3 GLY 40 2HA GLY 40 -11.281 23.033 5.411 269 HA PRO 41 HA PRO 41 -10.040 25.821 2.265 270 HB2 PRO 41 1HB PRO 41 -7.492 26.358 3.036 271 HB3 PRO 41 2HB PRO 41 -8.907 26.968 3.903 272 HG2 PRO 41 1HG PRO 41 -7.169 24.613 4.533 273 HG3 PRO 41 2HG PRO 41 -7.828 25.842 5.628 274 HD2 PRO 41 1HD PRO 41 -8.930 23.382 5.367 275 HD3 PRO 41 2HD PRO 41 -9.896 24.828 5.724 276 H SER 42 H SER 42 -9.178 25.756 0.258 277 HA SER 42 HA SER 42 -7.415 23.484 -0.372 278 HB2 SER 42 1HB SER 42 -9.689 23.566 -1.469 279 HB3 SER 42 2HB SER 42 -9.154 25.020 -2.312 280 HG SER 42 HG SER 42 -7.271 23.499 -2.880 281 H SER 43 H SER 43 -5.455 23.835 -1.226 282 HA SER 43 HA SER 43 -4.391 26.479 -1.257 283 HB2 SER 43 1HB SER 43 -2.320 25.341 -2.119 284 HB3 SER 43 2HB SER 43 -2.945 24.663 -0.615 285 HG SER 43 HG SER 43 -2.351 23.113 -2.298 286 H GLY 44 H GLY 44 -5.015 24.076 -3.812 287 HA2 GLY 44 1HA GLY 44 -5.330 26.292 -5.709 288 HA3 GLY 44 2HA GLY 44 -4.169 25.029 -6.090 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.746 -23.195 -17.470 2 HA2 GLY 1 1HA GLY 1 -0.314 -24.198 -17.047 3 HA3 GLY 1 2HA GLY 1 0.149 -25.532 -18.093 4 H SER 2 H SER 2 -0.237 -24.489 -14.902 5 HA SER 2 HA SER 2 0.083 -25.471 -12.875 6 HB2 SER 2 1HB SER 2 0.392 -28.004 -14.505 7 HB3 SER 2 2HB SER 2 0.019 -27.911 -12.784 8 HG SER 2 HG SER 2 -1.851 -28.218 -14.095 9 H SER 3 H SER 3 2.327 -24.263 -13.969 10 HA SER 3 HA SER 3 4.482 -26.002 -12.961 11 HB2 SER 3 1HB SER 3 4.391 -25.427 -15.522 12 HB3 SER 3 2HB SER 3 5.039 -23.873 -14.997 13 HG SER 3 HG SER 3 6.197 -26.425 -14.871 14 H GLY 4 H GLY 4 4.191 -25.060 -10.881 15 HA2 GLY 4 1HA GLY 4 4.746 -23.591 -9.207 16 HA3 GLY 4 2HA GLY 4 5.891 -22.889 -10.340 17 H SER 5 H SER 5 4.020 -21.696 -8.318 18 HA SER 5 HA SER 5 2.288 -20.093 -10.050 19 HB2 SER 5 1HB SER 5 1.572 -21.205 -7.791 20 HB3 SER 5 2HB SER 5 2.377 -19.815 -7.063 21 HG SER 5 HG SER 5 0.936 -18.469 -8.014 22 H SER 6 H SER 6 3.242 -18.371 -10.913 23 HA SER 6 HA SER 6 5.451 -17.050 -9.604 24 HB2 SER 6 1HB SER 6 4.988 -17.438 -12.185 25 HB3 SER 6 2HB SER 6 4.132 -15.905 -12.029 26 HG SER 6 HG SER 6 6.859 -16.444 -11.486 27 H GLY 7 H GLY 7 5.412 -15.177 -8.497 28 HA2 GLY 7 1HA GLY 7 3.970 -12.958 -8.622 29 HA3 GLY 7 2HA GLY 7 2.791 -14.041 -7.897 30 H GLU 8 H GLU 8 6.199 -13.087 -7.457 31 HA GLU 8 HA GLU 8 5.911 -13.465 -4.579 32 HB2 GLU 8 1HB GLU 8 7.909 -14.349 -5.772 33 HB3 GLU 8 2HB GLU 8 8.363 -12.699 -6.171 34 HG2 GLU 8 1HG GLU 8 9.669 -13.251 -4.320 35 HG3 GLU 8 2HG GLU 8 8.367 -12.256 -3.671 36 H LYS 9 H LYS 9 4.778 -11.768 -3.770 37 HA LYS 9 HA LYS 9 5.891 -9.080 -4.248 38 HB2 LYS 9 1HB LYS 9 3.042 -9.944 -3.760 39 HB3 LYS 9 2HB LYS 9 3.566 -8.272 -3.609 40 HG2 LYS 9 1HG LYS 9 2.765 -8.304 -5.755 41 HG3 LYS 9 2HG LYS 9 4.478 -8.633 -6.024 42 HD2 LYS 9 1HD LYS 9 3.524 -10.273 -7.318 43 HD3 LYS 9 2HD LYS 9 3.705 -11.134 -5.788 44 HE2 LYS 9 1HE LYS 9 1.406 -10.774 -5.238 45 HE3 LYS 9 2HE LYS 9 1.194 -9.686 -6.608 46 HZ1 LYS 9 3HZ LYS 9 2.120 -12.374 -7.225 47 HZ2 LYS 9 1HZ LYS 9 1.019 -11.390 -8.052 48 HZ3 LYS 9 2HZ LYS 9 0.524 -12.244 -6.678 49 HA PRO 10 HA PRO 10 6.606 -10.028 0.199 50 HB2 PRO 10 1HB PRO 10 8.967 -8.693 0.320 51 HB3 PRO 10 2HB PRO 10 8.838 -10.369 -0.224 52 HG2 PRO 10 1HG PRO 10 9.049 -7.862 -1.846 53 HG3 PRO 10 2HG PRO 10 9.866 -9.418 -2.081 54 HD2 PRO 10 1HD PRO 10 7.692 -8.684 -3.518 55 HD3 PRO 10 2HD PRO 10 8.029 -10.374 -3.091 56 H PHE 11 H PHE 11 5.727 -7.404 -1.585 57 HA PHE 11 HA PHE 11 5.878 -5.564 0.709 58 HB2 PHE 11 1HB PHE 11 5.549 -4.964 -2.238 59 HB3 PHE 11 2HB PHE 11 5.510 -3.754 -0.960 60 HD1 PHE 11 HD1 PHE 11 7.624 -6.083 -2.835 61 HD2 PHE 11 HD2 PHE 11 7.521 -3.045 0.143 62 HE1 PHE 11 HE1 PHE 11 10.072 -5.869 -2.974 63 HE2 PHE 11 HE2 PHE 11 9.968 -2.825 0.009 64 HZ PHE 11 HZ PHE 11 11.246 -4.238 -1.551 65 H GLY 12 H GLY 12 4.051 -5.843 1.856 66 HA2 GLY 12 1HA GLY 12 1.498 -5.956 0.384 67 HA3 GLY 12 2HA GLY 12 1.750 -6.568 2.012 68 H CYS 13 H CYS 13 -0.053 -4.456 0.664 69 HA CYS 13 HA CYS 13 0.636 -1.966 1.850 70 HB2 CYS 13 1HB CYS 13 -0.864 -2.199 -0.121 71 HB3 CYS 13 2HB CYS 13 -2.081 -2.924 0.925 72 H SER 14 H SER 14 -0.446 -0.884 3.582 73 HA SER 14 HA SER 14 -1.176 -2.722 5.734 74 HB2 SER 14 1HB SER 14 0.492 -1.211 6.443 75 HB3 SER 14 2HB SER 14 -0.302 0.161 5.672 76 HG SER 14 HG SER 14 -0.784 -1.023 8.125 77 H CYS 15 H CYS 15 -2.479 -0.099 3.814 78 HA CYS 15 HA CYS 15 -4.839 0.272 5.369 79 HB2 CYS 15 1HB CYS 15 -4.254 1.011 2.494 80 HB3 CYS 15 2HB CYS 15 -5.643 1.568 3.420 81 HG CYS 15 HG CYS 15 -2.608 2.193 4.753 82 H CYS 16 H CYS 16 -4.078 -1.548 2.428 83 HA CYS 16 HA CYS 16 -6.673 -2.920 2.703 84 HB2 CYS 16 1HB CYS 16 -6.586 -3.329 0.273 85 HB3 CYS 16 2HB CYS 16 -6.584 -1.608 0.647 86 H GLU 17 H GLU 17 -6.425 -5.087 1.226 87 HA GLU 17 HA GLU 17 -4.229 -6.550 2.512 88 HB2 GLU 17 1HB GLU 17 -6.938 -7.355 1.506 89 HB3 GLU 17 2HB GLU 17 -5.676 -8.562 1.706 90 HG2 GLU 17 1HG GLU 17 -5.635 -8.339 3.999 91 HG3 GLU 17 2HG GLU 17 -6.331 -6.720 3.958 92 H LYS 18 H LYS 18 -3.946 -4.925 0.075 93 HA LYS 18 HA LYS 18 -3.486 -6.940 -1.992 94 HB2 LYS 18 1HB LYS 18 -3.399 -3.923 -2.025 95 HB3 LYS 18 2HB LYS 18 -2.906 -4.910 -3.395 96 HG2 LYS 18 1HG LYS 18 -5.069 -5.665 -3.789 97 HG3 LYS 18 2HG LYS 18 -5.618 -5.231 -2.168 98 HD2 LYS 18 1HD LYS 18 -5.022 -2.804 -2.933 99 HD3 LYS 18 2HD LYS 18 -5.166 -3.488 -4.554 100 HE2 LYS 18 1HE LYS 18 -7.426 -4.098 -4.192 101 HE3 LYS 18 2HE LYS 18 -7.304 -3.795 -2.460 102 HZ1 LYS 18 3HZ LYS 18 -6.620 -1.421 -3.660 103 HZ2 LYS 18 1HZ LYS 18 -8.081 -1.778 -2.885 104 HZ3 LYS 18 2HZ LYS 18 -7.939 -1.985 -4.558 105 H ALA 19 H ALA 19 -1.440 -7.051 -3.103 106 HA ALA 19 HA ALA 19 0.858 -5.989 -1.625 107 HB1 ALA 19 3HB ALA 19 1.272 -8.730 -2.548 108 HB2 ALA 19 1HB ALA 19 1.697 -7.970 -1.014 109 HB3 ALA 19 2HB ALA 19 0.062 -8.581 -1.274 110 H PHE 20 H PHE 20 2.685 -5.613 -2.860 111 HA PHE 20 HA PHE 20 2.427 -6.123 -5.749 112 HB2 PHE 20 1HB PHE 20 3.532 -3.624 -4.450 113 HB3 PHE 20 2HB PHE 20 3.477 -3.943 -6.180 114 HD1 PHE 20 HD2 PHE 20 1.251 -3.682 -3.208 115 HD2 PHE 20 HD1 PHE 20 1.677 -3.199 -7.415 116 HE1 PHE 20 HE2 PHE 20 -0.993 -2.678 -3.317 117 HE2 PHE 20 HE1 PHE 20 -0.566 -2.193 -7.531 118 HZ PHE 20 HZ PHE 20 -1.904 -1.933 -5.480 119 H SER 21 H SER 21 4.506 -6.077 -6.918 120 HA SER 21 HA SER 21 6.485 -7.581 -5.448 121 HB2 SER 21 1HB SER 21 7.624 -7.712 -7.689 122 HB3 SER 21 2HB SER 21 5.977 -8.344 -7.672 123 HG SER 21 HG SER 21 6.120 -7.038 -9.440 124 H SER 22 H SER 22 6.316 -4.464 -7.122 125 HA SER 22 HA SER 22 8.959 -3.771 -6.047 126 HB2 SER 22 1HB SER 22 7.356 -2.835 -8.386 127 HB3 SER 22 2HB SER 22 8.480 -1.700 -7.638 128 HG SER 22 HG SER 22 9.950 -3.715 -7.840 129 H LYS 23 H LYS 23 9.187 -2.324 -4.463 130 HA LYS 23 HA LYS 23 7.051 -1.439 -2.915 131 HB2 LYS 23 1HB LYS 23 9.236 -1.548 -1.950 132 HB3 LYS 23 2HB LYS 23 9.885 -0.428 -3.140 133 HG2 LYS 23 1HG LYS 23 9.648 0.760 -1.104 134 HG3 LYS 23 2HG LYS 23 8.373 1.324 -2.187 135 HD2 LYS 23 1HD LYS 23 7.135 1.006 -0.298 136 HD3 LYS 23 2HD LYS 23 7.015 -0.614 -0.989 137 HE2 LYS 23 1HE LYS 23 7.625 -1.128 1.157 138 HE3 LYS 23 2HE LYS 23 9.212 -1.013 0.399 139 HZ1 LYS 23 3HZ LYS 23 8.222 0.458 2.558 140 HZ2 LYS 23 1HZ LYS 23 8.458 1.538 1.277 141 HZ3 LYS 23 2HZ LYS 23 9.740 0.579 1.821 142 H SER 24 H SER 24 8.956 0.342 -5.331 143 HA SER 24 HA SER 24 7.899 2.845 -5.134 144 HB2 SER 24 1HB SER 24 8.599 1.309 -7.643 145 HB3 SER 24 2HB SER 24 8.266 3.041 -7.616 146 HG SER 24 HG SER 24 10.499 2.622 -7.457 147 H TYR 25 H TYR 25 6.491 0.117 -6.916 148 HA TYR 25 HA TYR 25 4.262 1.482 -7.936 149 HB2 TYR 25 1HB TYR 25 4.993 -1.369 -7.507 150 HB3 TYR 25 2HB TYR 25 3.292 -1.006 -7.775 151 HD1 TYR 25 HD1 TYR 25 3.416 1.180 -9.723 152 HD2 TYR 25 HD2 TYR 25 5.737 -2.376 -9.465 153 HE1 TYR 25 HE1 TYR 25 3.814 1.272 -12.148 154 HE2 TYR 25 HE2 TYR 25 6.143 -2.294 -11.890 155 HH TYR 25 HH TYR 25 6.173 -0.430 -13.689 156 H LEU 26 H LEU 26 4.585 -0.529 -5.018 157 HA LEU 26 HA LEU 26 1.981 -0.331 -4.086 158 HB2 LEU 26 1HB LEU 26 3.497 -1.860 -3.071 159 HB3 LEU 26 2HB LEU 26 4.590 -0.558 -2.604 160 HG LEU 26 HG LEU 26 2.899 0.250 -1.000 161 HD11 LEU 26 1HD1 LEU 26 1.390 -2.231 -1.811 162 HD12 LEU 26 2HD1 LEU 26 0.899 -0.566 -2.115 163 HD13 LEU 26 3HD1 LEU 26 0.982 -1.172 -0.461 164 HD21 LEU 26 3HD2 LEU 26 3.904 -2.572 -0.801 165 HD22 LEU 26 1HD2 LEU 26 3.025 -1.801 0.520 166 HD23 LEU 26 2HD2 LEU 26 4.547 -1.113 -0.047 167 H LEU 27 H LEU 27 4.755 1.762 -3.314 168 HA LEU 27 HA LEU 27 3.606 3.507 -1.550 169 HB2 LEU 27 1HB LEU 27 5.524 4.137 -3.788 170 HB3 LEU 27 2HB LEU 27 5.157 5.226 -2.452 171 HG LEU 27 HG LEU 27 6.352 2.490 -2.061 172 HD11 LEU 27 1HD1 LEU 27 7.795 3.954 -3.475 173 HD12 LEU 27 2HD1 LEU 27 8.510 3.501 -1.929 174 HD13 LEU 27 3HD1 LEU 27 7.830 5.113 -2.146 175 HD21 LEU 27 3HD2 LEU 27 7.130 3.759 0.064 176 HD22 LEU 27 1HD2 LEU 27 5.474 3.157 -0.028 177 HD23 LEU 27 2HD2 LEU 27 5.810 4.863 -0.324 178 H VAL 28 H VAL 28 3.603 3.850 -5.098 179 HA VAL 28 HA VAL 28 2.023 6.161 -5.205 180 HB VAL 28 HB VAL 28 2.278 3.951 -7.249 181 HG11 VAL 28 1HG1 VAL 28 1.604 5.781 -8.847 182 HG12 VAL 28 2HG1 VAL 28 0.324 5.181 -7.791 183 HG13 VAL 28 3HG1 VAL 28 1.112 6.720 -7.438 184 HG21 VAL 28 3HG2 VAL 28 4.251 4.814 -7.827 185 HG22 VAL 28 1HG2 VAL 28 3.615 6.459 -7.814 186 HG23 VAL 28 2HG2 VAL 28 4.195 5.725 -6.318 187 H HIS 29 H HIS 29 1.147 2.743 -5.154 188 HA HIS 29 HA HIS 29 -1.592 3.040 -5.705 189 HB2 HIS 29 1HB HIS 29 -0.966 0.839 -5.871 190 HB3 HIS 29 2HB HIS 29 0.111 0.929 -4.480 191 HD1 HIS 29 HD1 HIS 29 -3.492 0.404 -5.388 192 HD2 HIS 29 HD2 HIS 29 -1.037 0.264 -2.039 193 HE1 HIS 29 HE1 HIS 29 -4.875 -0.672 -3.585 194 H GLN 30 H GLN 30 0.130 2.823 -2.600 195 HA GLN 30 HA GLN 30 -1.999 2.942 -0.864 196 HB2 GLN 30 1HB GLN 30 0.620 4.394 -0.468 197 HB3 GLN 30 2HB GLN 30 -0.473 3.825 0.787 198 HG2 GLN 30 1HG GLN 30 -0.017 1.500 -0.401 199 HG3 GLN 30 2HG GLN 30 1.470 2.324 -0.866 200 HE21 GLN 30 1HE2 GLN 30 0.728 0.098 1.074 201 HE22 GLN 30 2HE2 GLN 30 1.530 0.545 2.537 202 H GLN 31 H GLN 31 -0.356 5.628 -2.483 203 HA GLN 31 HA GLN 31 -1.347 7.837 -1.320 204 HB2 GLN 31 1HB GLN 31 -1.267 7.311 -4.296 205 HB3 GLN 31 2HB GLN 31 -1.433 8.902 -3.565 206 HG2 GLN 31 1HG GLN 31 0.741 8.825 -2.661 207 HG3 GLN 31 2HG GLN 31 0.897 7.100 -2.992 208 HE21 GLN 31 1HE2 GLN 31 2.844 8.804 -3.805 209 HE22 GLN 31 2HE2 GLN 31 2.827 8.953 -5.526 210 H THR 32 H THR 32 -3.169 5.668 -3.423 211 HA THR 32 HA THR 32 -5.465 7.035 -3.911 212 HB THR 32 HB THR 32 -6.688 4.895 -3.837 213 HG1 THR 32 HG1 THR 32 -5.993 3.400 -2.525 214 HG21 THR 32 3HG2 THR 32 -4.575 3.659 -5.134 215 HG22 THR 32 1HG2 THR 32 -4.220 5.379 -5.294 216 HG23 THR 32 2HG2 THR 32 -5.761 4.738 -5.867 217 H HIS 33 H HIS 33 -4.756 5.219 -0.932 218 HA HIS 33 HA HIS 33 -7.160 5.773 0.392 219 HB2 HIS 33 1HB HIS 33 -4.432 5.326 1.622 220 HB3 HIS 33 2HB HIS 33 -5.980 5.154 2.443 221 HD1 HIS 33 HD1 HIS 33 -7.551 3.176 1.474 222 HD2 HIS 33 HD2 HIS 33 -3.541 3.065 0.394 223 HE1 HIS 33 HE1 HIS 33 -7.137 0.831 0.664 224 H ALA 34 H ALA 34 -4.121 7.562 0.251 225 HA ALA 34 HA ALA 34 -4.529 9.451 2.218 226 HB1 ALA 34 3HB ALA 34 -3.355 10.297 -0.392 227 HB2 ALA 34 1HB ALA 34 -2.836 10.676 1.251 228 HB3 ALA 34 2HB ALA 34 -2.537 9.073 0.578 229 H GLU 35 H GLU 35 -5.798 9.388 -1.077 230 HA GLU 35 HA GLU 35 -7.438 11.748 -0.424 231 HB2 GLU 35 1HB GLU 35 -7.571 12.200 -2.811 232 HB3 GLU 35 2HB GLU 35 -5.890 12.101 -2.305 233 HG2 GLU 35 1HG GLU 35 -5.718 9.862 -3.206 234 HG3 GLU 35 2HG GLU 35 -7.424 9.887 -3.647 235 H GLU 36 H GLU 36 -9.499 11.745 -1.920 236 HA GLU 36 HA GLU 36 -11.516 10.820 -2.437 237 HB2 GLU 36 1HB GLU 36 -9.891 9.118 -3.583 238 HB3 GLU 36 2HB GLU 36 -10.368 8.058 -2.264 239 HG2 GLU 36 1HG GLU 36 -12.669 8.175 -2.924 240 HG3 GLU 36 2HG GLU 36 -12.299 9.390 -4.147 241 H LYS 37 H LYS 37 -10.971 11.431 0.206 242 HA LYS 37 HA LYS 37 -12.205 9.227 1.714 243 HB2 LYS 37 1HB LYS 37 -10.372 11.464 2.483 244 HB3 LYS 37 2HB LYS 37 -11.447 10.780 3.695 245 HG2 LYS 37 1HG LYS 37 -10.480 8.586 3.362 246 HG3 LYS 37 2HG LYS 37 -9.448 9.215 2.075 247 HD2 LYS 37 1HD LYS 37 -8.099 9.104 4.019 248 HD3 LYS 37 2HD LYS 37 -8.494 10.808 3.788 249 HE2 LYS 37 1HE LYS 37 -10.238 9.123 5.526 250 HE3 LYS 37 2HE LYS 37 -8.694 9.696 6.153 251 HZ1 LYS 37 3HZ LYS 37 -10.174 11.771 4.863 252 HZ2 LYS 37 1HZ LYS 37 -9.504 11.733 6.416 253 HZ3 LYS 37 2HZ LYS 37 -11.042 11.084 6.142 254 HA PRO 38 HA PRO 38 -15.953 11.529 1.991 255 HB2 PRO 38 1HB PRO 38 -17.029 10.295 4.156 256 HB3 PRO 38 2HB PRO 38 -16.951 9.540 2.560 257 HG2 PRO 38 1HG PRO 38 -15.153 9.163 4.923 258 HG3 PRO 38 2HG PRO 38 -15.818 7.946 3.818 259 HD2 PRO 38 1HD PRO 38 -13.283 8.874 3.608 260 HD3 PRO 38 2HD PRO 38 -14.235 8.371 2.197 261 H SER 39 H SER 39 -16.789 13.270 3.076 262 HA SER 39 HA SER 39 -15.105 14.649 4.883 263 HB2 SER 39 1HB SER 39 -16.579 15.860 3.367 264 HB3 SER 39 2HB SER 39 -17.997 15.149 4.137 265 HG SER 39 HG SER 39 -17.753 17.116 5.070 266 H GLY 40 H GLY 40 -14.875 14.365 6.995 267 HA2 GLY 40 1HA GLY 40 -17.115 13.140 8.485 268 HA3 GLY 40 2HA GLY 40 -15.423 12.840 8.853 269 HA PRO 41 HA PRO 41 -17.288 16.716 11.034 270 HB2 PRO 41 1HB PRO 41 -18.383 15.614 13.260 271 HB3 PRO 41 2HB PRO 41 -19.304 15.906 11.780 272 HG2 PRO 41 1HG PRO 41 -18.066 13.367 12.770 273 HG3 PRO 41 2HG PRO 41 -19.659 13.622 12.035 274 HD2 PRO 41 1HD PRO 41 -17.552 12.645 10.643 275 HD3 PRO 41 2HD PRO 41 -18.805 13.655 9.894 276 H SER 42 H SER 42 -15.826 17.733 12.256 277 HA SER 42 HA SER 42 -13.832 18.015 13.367 278 HB2 SER 42 1HB SER 42 -15.688 16.515 15.162 279 HB3 SER 42 2HB SER 42 -14.030 16.773 15.706 280 HG SER 42 HG SER 42 -15.999 18.696 15.066 281 H SER 43 H SER 43 -13.529 16.044 11.440 282 HA SER 43 HA SER 43 -12.517 13.598 12.360 283 HB2 SER 43 1HB SER 43 -11.429 13.431 10.152 284 HB3 SER 43 2HB SER 43 -13.098 13.983 10.009 285 HG SER 43 HG SER 43 -10.719 15.345 9.529 286 H GLY 44 H GLY 44 -10.139 12.955 11.942 287 HA2 GLY 44 1HA GLY 44 -8.533 14.528 13.729 288 HA3 GLY 44 2HA GLY 44 -8.048 13.044 12.922 Start of MODEL 10 1 H1 GLY 1 H GLY 1 4.764 -24.883 -15.868 2 HA2 GLY 1 1HA GLY 1 4.060 -22.475 -17.378 3 HA3 GLY 1 2HA GLY 1 3.012 -23.344 -16.267 4 H SER 2 H SER 2 2.450 -21.414 -15.206 5 HA SER 2 HA SER 2 4.583 -19.972 -13.826 6 HB2 SER 2 1HB SER 2 1.616 -19.388 -13.981 7 HB3 SER 2 2HB SER 2 2.832 -18.344 -13.246 8 HG SER 2 HG SER 2 3.077 -17.547 -15.164 9 H SER 3 H SER 3 4.227 -22.574 -12.933 10 HA SER 3 HA SER 3 2.758 -22.297 -10.405 11 HB2 SER 3 1HB SER 3 2.194 -24.256 -11.803 12 HB3 SER 3 2HB SER 3 3.872 -24.791 -11.713 13 HG SER 3 HG SER 3 1.983 -24.596 -9.614 14 H GLY 4 H GLY 4 4.083 -21.336 -8.963 15 HA2 GLY 4 1HA GLY 4 5.708 -21.965 -7.231 16 HA3 GLY 4 2HA GLY 4 6.710 -22.615 -8.521 17 H SER 5 H SER 5 6.890 -20.730 -10.362 18 HA SER 5 HA SER 5 7.939 -18.387 -8.913 19 HB2 SER 5 1HB SER 5 9.603 -18.192 -10.759 20 HB3 SER 5 2HB SER 5 9.761 -19.692 -9.845 21 HG SER 5 HG SER 5 8.103 -20.268 -11.748 22 H SER 6 H SER 6 5.769 -17.486 -9.193 23 HA SER 6 HA SER 6 5.390 -16.387 -11.902 24 HB2 SER 6 1HB SER 6 3.614 -18.009 -11.191 25 HB3 SER 6 2HB SER 6 3.208 -16.912 -9.871 26 HG SER 6 HG SER 6 1.969 -15.990 -11.289 27 H GLY 7 H GLY 7 4.764 -15.782 -8.448 28 HA2 GLY 7 1HA GLY 7 5.476 -12.973 -8.881 29 HA3 GLY 7 2HA GLY 7 3.893 -13.320 -8.199 30 H GLU 8 H GLU 8 6.223 -11.889 -7.067 31 HA GLU 8 HA GLU 8 6.817 -13.630 -4.771 32 HB2 GLU 8 1HB GLU 8 8.225 -11.119 -5.696 33 HB3 GLU 8 2HB GLU 8 8.685 -12.092 -4.306 34 HG2 GLU 8 1HG GLU 8 8.619 -13.120 -7.131 35 HG3 GLU 8 2HG GLU 8 10.057 -12.476 -6.343 36 H LYS 9 H LYS 9 5.788 -10.358 -5.651 37 HA LYS 9 HA LYS 9 4.923 -8.656 -4.364 38 HB2 LYS 9 1HB LYS 9 3.267 -11.095 -3.788 39 HB3 LYS 9 2HB LYS 9 2.867 -9.549 -3.050 40 HG2 LYS 9 1HG LYS 9 1.561 -9.421 -4.898 41 HG3 LYS 9 2HG LYS 9 3.042 -8.720 -5.556 42 HD2 LYS 9 1HD LYS 9 3.508 -10.560 -6.831 43 HD3 LYS 9 2HD LYS 9 2.707 -11.669 -5.716 44 HE2 LYS 9 1HE LYS 9 0.578 -11.131 -6.538 45 HE3 LYS 9 2HE LYS 9 1.158 -9.665 -7.326 46 HZ1 LYS 9 3HZ LYS 9 2.225 -12.263 -8.182 47 HZ2 LYS 9 1HZ LYS 9 2.031 -10.836 -9.070 48 HZ3 LYS 9 2HZ LYS 9 0.686 -11.796 -8.708 49 HA PRO 10 HA PRO 10 7.153 -10.096 -0.453 50 HB2 PRO 10 1HB PRO 10 9.323 -8.484 -0.710 51 HB3 PRO 10 2HB PRO 10 9.252 -10.115 -1.388 52 HG2 PRO 10 1HG PRO 10 8.817 -7.481 -2.742 53 HG3 PRO 10 2HG PRO 10 9.720 -8.897 -3.312 54 HD2 PRO 10 1HD PRO 10 7.209 -8.335 -4.154 55 HD3 PRO 10 2HD PRO 10 7.812 -9.996 -3.993 56 H PHE 11 H PHE 11 5.753 -7.375 -1.792 57 HA PHE 11 HA PHE 11 5.965 -5.912 0.757 58 HB2 PHE 11 1HB PHE 11 5.599 -4.688 -1.985 59 HB3 PHE 11 2HB PHE 11 5.777 -3.819 -0.464 60 HD1 PHE 11 HD1 PHE 11 7.501 -5.763 -3.039 61 HD2 PHE 11 HD2 PHE 11 7.928 -3.582 0.591 62 HE1 PHE 11 HE1 PHE 11 9.940 -5.714 -3.359 63 HE2 PHE 11 HE2 PHE 11 10.367 -3.529 0.277 64 HZ PHE 11 HZ PHE 11 11.376 -4.595 -1.701 65 H GLY 12 H GLY 12 4.105 -5.444 1.764 66 HA2 GLY 12 1HA GLY 12 1.601 -5.687 0.220 67 HA3 GLY 12 2HA GLY 12 1.780 -6.452 1.792 68 H CYS 13 H CYS 13 0.019 -4.235 0.646 69 HA CYS 13 HA CYS 13 0.710 -1.829 1.969 70 HB2 CYS 13 1HB CYS 13 -0.881 -1.977 0.060 71 HB3 CYS 13 2HB CYS 13 -2.037 -2.770 1.124 72 H SER 14 H SER 14 -0.240 -0.881 3.830 73 HA SER 14 HA SER 14 -0.838 -2.842 5.902 74 HB2 SER 14 1HB SER 14 -0.295 0.131 6.094 75 HB3 SER 14 2HB SER 14 -0.515 -0.953 7.467 76 HG SER 14 HG SER 14 1.598 -0.852 5.605 77 H CYS 15 H CYS 15 -2.310 -0.111 4.251 78 HA CYS 15 HA CYS 15 -4.607 0.057 5.918 79 HB2 CYS 15 1HB CYS 15 -3.797 1.174 3.275 80 HB3 CYS 15 2HB CYS 15 -5.507 1.194 3.688 81 HG CYS 15 HG CYS 15 -5.090 3.593 4.600 82 H CYS 16 H CYS 16 -3.959 -1.516 2.807 83 HA CYS 16 HA CYS 16 -6.512 -2.960 3.090 84 HB2 CYS 16 1HB CYS 16 -6.412 -3.302 0.642 85 HB3 CYS 16 2HB CYS 16 -6.456 -1.596 1.077 86 H GLU 17 H GLU 17 -6.273 -5.086 1.572 87 HA GLU 17 HA GLU 17 -4.023 -6.557 2.758 88 HB2 GLU 17 1HB GLU 17 -5.349 -8.567 2.457 89 HB3 GLU 17 2HB GLU 17 -6.286 -7.359 3.326 90 HG2 GLU 17 1HG GLU 17 -7.246 -6.753 1.020 91 HG3 GLU 17 2HG GLU 17 -6.595 -8.309 0.507 92 H LYS 18 H LYS 18 -3.856 -4.911 0.332 93 HA LYS 18 HA LYS 18 -3.489 -6.911 -1.772 94 HB2 LYS 18 1HB LYS 18 -3.668 -3.922 -1.725 95 HB3 LYS 18 2HB LYS 18 -2.874 -4.718 -3.077 96 HG2 LYS 18 1HG LYS 18 -4.816 -5.666 -3.842 97 HG3 LYS 18 2HG LYS 18 -5.584 -5.637 -2.253 98 HD2 LYS 18 1HD LYS 18 -5.502 -3.072 -2.504 99 HD3 LYS 18 2HD LYS 18 -5.223 -3.398 -4.217 100 HE2 LYS 18 1HE LYS 18 -7.315 -4.354 -4.505 101 HE3 LYS 18 2HE LYS 18 -7.499 -4.711 -2.789 102 HZ1 LYS 18 3HZ LYS 18 -7.896 -2.433 -2.323 103 HZ2 LYS 18 1HZ LYS 18 -8.893 -2.845 -3.626 104 HZ3 LYS 18 2HZ LYS 18 -7.478 -1.958 -3.892 105 H ALA 19 H ALA 19 -1.492 -6.754 -3.103 106 HA ALA 19 HA ALA 19 0.855 -5.788 -1.651 107 HB1 ALA 19 3HB ALA 19 0.812 -8.587 -2.740 108 HB2 ALA 19 1HB ALA 19 2.000 -7.841 -1.670 109 HB3 ALA 19 2HB ALA 19 0.383 -8.216 -1.070 110 H PHE 20 H PHE 20 2.817 -5.788 -2.990 111 HA PHE 20 HA PHE 20 2.318 -5.889 -5.874 112 HB2 PHE 20 1HB PHE 20 3.611 -3.529 -4.491 113 HB3 PHE 20 2HB PHE 20 3.361 -3.712 -6.224 114 HD1 PHE 20 HD2 PHE 20 1.505 -3.547 -3.007 115 HD2 PHE 20 HD1 PHE 20 1.441 -2.879 -7.211 116 HE1 PHE 20 HE2 PHE 20 -0.696 -2.466 -2.799 117 HE2 PHE 20 HE1 PHE 20 -0.759 -1.796 -7.009 118 HZ PHE 20 HZ PHE 20 -1.831 -1.589 -4.801 119 H SER 21 H SER 21 4.247 -6.021 -7.162 120 HA SER 21 HA SER 21 6.272 -7.619 -5.918 121 HB2 SER 21 1HB SER 21 7.295 -7.587 -8.229 122 HB3 SER 21 2HB SER 21 5.641 -8.194 -8.157 123 HG SER 21 HG SER 21 6.385 -5.543 -8.851 124 H SER 22 H SER 22 6.167 -4.381 -7.359 125 HA SER 22 HA SER 22 8.877 -3.875 -6.348 126 HB2 SER 22 1HB SER 22 8.245 -3.419 -8.788 127 HB3 SER 22 2HB SER 22 7.299 -2.063 -8.175 128 HG SER 22 HG SER 22 10.093 -2.470 -8.027 129 H LYS 23 H LYS 23 9.283 -2.397 -4.797 130 HA LYS 23 HA LYS 23 7.285 -1.607 -3.020 131 HB2 LYS 23 1HB LYS 23 9.769 -1.765 -2.571 132 HB3 LYS 23 2HB LYS 23 9.938 -0.211 -3.377 133 HG2 LYS 23 1HG LYS 23 9.808 0.482 -1.216 134 HG3 LYS 23 2HG LYS 23 8.094 0.508 -1.638 135 HD2 LYS 23 1HD LYS 23 7.880 -1.778 -0.693 136 HD3 LYS 23 2HD LYS 23 9.565 -1.683 -0.173 137 HE2 LYS 23 1HE LYS 23 8.772 0.531 0.973 138 HE3 LYS 23 2HE LYS 23 7.174 -0.201 0.834 139 HZ1 LYS 23 3HZ LYS 23 8.228 -2.210 1.941 140 HZ2 LYS 23 1HZ LYS 23 7.963 -0.852 2.916 141 HZ3 LYS 23 2HZ LYS 23 9.517 -1.191 2.341 142 H SER 24 H SER 24 8.951 0.287 -5.526 143 HA SER 24 HA SER 24 7.872 2.764 -5.127 144 HB2 SER 24 1HB SER 24 9.483 1.832 -6.995 145 HB3 SER 24 2HB SER 24 7.995 1.737 -7.936 146 HG SER 24 HG SER 24 9.472 3.910 -7.257 147 H TYR 25 H TYR 25 6.396 0.080 -6.920 148 HA TYR 25 HA TYR 25 4.084 1.423 -7.752 149 HB2 TYR 25 1HB TYR 25 4.877 -1.425 -7.418 150 HB3 TYR 25 2HB TYR 25 3.158 -1.079 -7.573 151 HD1 TYR 25 HD1 TYR 25 2.925 0.978 -9.517 152 HD2 TYR 25 HD2 TYR 25 5.717 -2.230 -9.406 153 HE1 TYR 25 HE1 TYR 25 3.168 1.114 -11.961 154 HE2 TYR 25 HE2 TYR 25 5.969 -2.103 -11.849 155 HH TYR 25 HH TYR 25 4.069 -0.981 -13.838 156 H LEU 26 H LEU 26 4.584 -0.682 -4.921 157 HA LEU 26 HA LEU 26 2.062 -0.528 -3.811 158 HB2 LEU 26 1HB LEU 26 3.566 -2.045 -2.854 159 HB3 LEU 26 2HB LEU 26 4.786 -0.801 -2.588 160 HG LEU 26 HG LEU 26 3.379 0.163 -0.807 161 HD11 LEU 26 1HD1 LEU 26 1.185 -0.410 -1.393 162 HD12 LEU 26 2HD1 LEU 26 1.529 -1.370 0.045 163 HD13 LEU 26 3HD1 LEU 26 1.579 -2.122 -1.549 164 HD21 LEU 26 3HD2 LEU 26 3.709 -1.657 0.822 165 HD22 LEU 26 1HD2 LEU 26 5.117 -1.410 -0.211 166 HD23 LEU 26 2HD2 LEU 26 4.032 -2.768 -0.510 167 H LEU 27 H LEU 27 4.800 1.682 -3.357 168 HA LEU 27 HA LEU 27 3.664 3.368 -1.456 169 HB2 LEU 27 1HB LEU 27 5.700 3.804 -3.612 170 HB3 LEU 27 2HB LEU 27 5.186 5.125 -2.565 171 HG LEU 27 HG LEU 27 6.373 2.555 -1.532 172 HD11 LEU 27 1HD1 LEU 27 8.450 3.306 -1.858 173 HD12 LEU 27 2HD1 LEU 27 8.023 4.958 -1.413 174 HD13 LEU 27 3HD1 LEU 27 7.729 4.383 -3.054 175 HD21 LEU 27 3HD2 LEU 27 6.660 3.775 0.515 176 HD22 LEU 27 1HD2 LEU 27 4.974 3.906 0.015 177 HD23 LEU 27 2HD2 LEU 27 6.074 5.261 -0.235 178 H VAL 28 H VAL 28 3.746 3.814 -4.995 179 HA VAL 28 HA VAL 28 2.185 6.109 -5.124 180 HB VAL 28 HB VAL 28 2.332 3.863 -7.141 181 HG11 VAL 28 1HG1 VAL 28 1.450 6.728 -7.485 182 HG12 VAL 28 2HG1 VAL 28 1.621 5.535 -8.775 183 HG13 VAL 28 3HG1 VAL 28 0.401 5.311 -7.520 184 HG21 VAL 28 3HG2 VAL 28 4.523 4.770 -6.625 185 HG22 VAL 28 1HG2 VAL 28 4.019 5.284 -8.235 186 HG23 VAL 28 2HG2 VAL 28 3.929 6.411 -6.881 187 H HIS 29 H HIS 29 1.213 2.717 -5.012 188 HA HIS 29 HA HIS 29 -1.512 3.048 -5.558 189 HB2 HIS 29 1HB HIS 29 -0.900 0.829 -5.603 190 HB3 HIS 29 2HB HIS 29 0.128 0.971 -4.181 191 HD1 HIS 29 HD1 HIS 29 -3.472 0.530 -5.176 192 HD2 HIS 29 HD2 HIS 29 -1.100 0.399 -1.768 193 HE1 HIS 29 HE1 HIS 29 -4.936 -0.438 -3.375 194 H GLN 30 H GLN 30 0.140 2.845 -2.405 195 HA GLN 30 HA GLN 30 -1.911 3.093 -0.663 196 HB2 GLN 30 1HB GLN 30 0.863 4.183 -0.659 197 HB3 GLN 30 2HB GLN 30 -0.240 4.726 0.599 198 HG2 GLN 30 1HG GLN 30 -0.352 2.672 1.588 199 HG3 GLN 30 2HG GLN 30 -0.005 1.810 0.090 200 HE21 GLN 30 1HE2 GLN 30 1.834 0.763 0.228 201 HE22 GLN 30 2HE2 GLN 30 3.280 1.328 0.986 202 H GLN 31 H GLN 31 -0.475 5.730 -2.535 203 HA GLN 31 HA GLN 31 -1.559 7.967 -1.524 204 HB2 GLN 31 1HB GLN 31 -1.586 7.221 -4.453 205 HB3 GLN 31 2HB GLN 31 -1.751 8.854 -3.821 206 HG2 GLN 31 1HG GLN 31 0.533 8.288 -2.659 207 HG3 GLN 31 2HG GLN 31 0.647 7.104 -3.961 208 HE21 GLN 31 1HE2 GLN 31 2.315 8.092 -5.022 209 HE22 GLN 31 2HE2 GLN 31 2.158 9.611 -5.831 210 H THR 32 H THR 32 -3.317 5.574 -3.443 211 HA THR 32 HA THR 32 -5.699 6.733 -3.944 212 HB THR 32 HB THR 32 -6.799 4.526 -3.504 213 HG1 THR 32 HG1 THR 32 -5.743 2.990 -2.450 214 HG21 THR 32 3HG2 THR 32 -5.292 5.207 -5.559 215 HG22 THR 32 1HG2 THR 32 -5.908 3.563 -5.391 216 HG23 THR 32 2HG2 THR 32 -4.247 3.934 -4.928 217 H HIS 33 H HIS 33 -4.885 5.191 -0.833 218 HA HIS 33 HA HIS 33 -7.270 5.865 0.483 219 HB2 HIS 33 1HB HIS 33 -4.547 5.497 1.745 220 HB3 HIS 33 2HB HIS 33 -6.109 5.319 2.539 221 HD1 HIS 33 HD1 HIS 33 -7.630 3.289 1.513 222 HD2 HIS 33 HD2 HIS 33 -3.549 3.183 0.741 223 HE1 HIS 33 HE1 HIS 33 -7.134 0.917 0.841 224 H ALA 34 H ALA 34 -4.201 7.583 0.178 225 HA ALA 34 HA ALA 34 -4.690 9.640 2.010 226 HB1 ALA 34 3HB ALA 34 -3.114 9.907 -0.543 227 HB2 ALA 34 1HB ALA 34 -2.922 10.835 0.945 228 HB3 ALA 34 2HB ALA 34 -2.503 9.122 0.914 229 H GLU 35 H GLU 35 -5.865 9.122 -1.223 230 HA GLU 35 HA GLU 35 -6.566 11.637 -2.065 231 HB2 GLU 35 1HB GLU 35 -6.920 9.373 -3.223 232 HB3 GLU 35 2HB GLU 35 -8.443 9.300 -2.349 233 HG2 GLU 35 1HG GLU 35 -9.110 11.431 -3.393 234 HG3 GLU 35 2HG GLU 35 -7.612 11.414 -4.322 235 H GLU 36 H GLU 36 -8.189 9.614 0.316 236 HA GLU 36 HA GLU 36 -10.549 11.081 0.604 237 HB2 GLU 36 1HB GLU 36 -10.129 8.834 1.586 238 HB3 GLU 36 2HB GLU 36 -9.062 9.582 2.766 239 HG2 GLU 36 1HG GLU 36 -10.868 10.785 3.750 240 HG3 GLU 36 2HG GLU 36 -11.965 10.297 2.459 241 H LYS 37 H LYS 37 -7.330 11.658 1.805 242 HA LYS 37 HA LYS 37 -6.384 13.434 2.865 243 HB2 LYS 37 1HB LYS 37 -8.858 14.600 1.697 244 HB3 LYS 37 2HB LYS 37 -8.022 15.546 2.921 245 HG2 LYS 37 1HG LYS 37 -6.984 16.343 1.070 246 HG3 LYS 37 2HG LYS 37 -5.927 14.971 1.412 247 HD2 LYS 37 1HD LYS 37 -6.782 13.711 -0.325 248 HD3 LYS 37 2HD LYS 37 -8.310 14.594 -0.350 249 HE2 LYS 37 1HE LYS 37 -7.110 16.565 -1.237 250 HE3 LYS 37 2HE LYS 37 -5.628 15.612 -1.286 251 HZ1 LYS 37 3HZ LYS 37 -6.384 14.356 -3.027 252 HZ2 LYS 37 1HZ LYS 37 -7.113 15.839 -3.390 253 HZ3 LYS 37 2HZ LYS 37 -8.018 14.607 -2.666 254 HA PRO 38 HA PRO 38 -9.179 12.418 6.549 255 HB2 PRO 38 1HB PRO 38 -7.547 10.585 7.711 256 HB3 PRO 38 2HB PRO 38 -8.789 10.153 6.530 257 HG2 PRO 38 1HG PRO 38 -5.846 10.531 6.131 258 HG3 PRO 38 2HG PRO 38 -6.911 9.268 5.483 259 HD2 PRO 38 1HD PRO 38 -6.121 11.403 4.016 260 HD3 PRO 38 2HD PRO 38 -7.702 10.625 3.797 261 H SER 39 H SER 39 -5.789 13.092 6.051 262 HA SER 39 HA SER 39 -5.800 14.748 8.469 263 HB2 SER 39 1HB SER 39 -4.680 12.466 8.850 264 HB3 SER 39 2HB SER 39 -3.405 13.050 7.782 265 HG SER 39 HG SER 39 -4.002 13.758 10.377 266 H GLY 40 H GLY 40 -4.998 16.724 8.125 267 HA2 GLY 40 1HA GLY 40 -4.236 17.569 5.542 268 HA3 GLY 40 2HA GLY 40 -4.088 18.516 7.016 269 HA PRO 41 HA PRO 41 0.276 18.246 6.586 270 HB2 PRO 41 1HB PRO 41 1.001 18.757 9.152 271 HB3 PRO 41 2HB PRO 41 0.381 20.004 8.063 272 HG2 PRO 41 1HG PRO 41 -1.052 18.468 10.196 273 HG3 PRO 41 2HG PRO 41 -1.142 20.196 9.809 274 HD2 PRO 41 1HD PRO 41 -3.026 18.424 9.008 275 HD3 PRO 41 2HD PRO 41 -2.594 19.856 8.051 276 H SER 42 H SER 42 2.189 17.130 7.549 277 HA SER 42 HA SER 42 3.275 15.221 8.142 278 HB2 SER 42 1HB SER 42 0.933 15.130 10.037 279 HB3 SER 42 2HB SER 42 2.172 13.876 10.035 280 HG SER 42 HG SER 42 2.428 16.619 10.644 281 H SER 43 H SER 43 1.762 15.089 5.825 282 HA SER 43 HA SER 43 0.619 12.376 5.907 283 HB2 SER 43 1HB SER 43 -0.475 13.038 3.729 284 HB3 SER 43 2HB SER 43 -1.028 13.941 5.139 285 HG SER 43 HG SER 43 -0.514 15.217 3.220 286 H GLY 44 H GLY 44 2.282 14.493 3.556 287 HA2 GLY 44 1HA GLY 44 4.280 12.450 3.075 288 HA3 GLY 44 2HA GLY 44 3.180 12.730 1.733 Start of MODEL 11 1 H1 GLY 1 H GLY 1 9.349 -16.095 -23.180 2 HA2 GLY 1 1HA GLY 1 8.636 -13.778 -22.073 3 HA3 GLY 1 2HA GLY 1 8.296 -14.100 -23.767 4 H SER 2 H SER 2 6.910 -14.894 -20.577 5 HA SER 2 HA SER 2 4.265 -14.217 -21.687 6 HB2 SER 2 1HB SER 2 3.271 -15.960 -20.315 7 HB3 SER 2 2HB SER 2 4.541 -16.663 -21.315 8 HG SER 2 HG SER 2 4.335 -16.578 -18.624 9 H SER 3 H SER 3 2.753 -13.279 -20.242 10 HA SER 3 HA SER 3 3.995 -11.573 -18.271 11 HB2 SER 3 1HB SER 3 2.346 -10.526 -19.641 12 HB3 SER 3 2HB SER 3 1.171 -11.801 -19.321 13 HG SER 3 HG SER 3 2.120 -9.808 -17.550 14 H GLY 4 H GLY 4 4.598 -12.840 -16.543 15 HA2 GLY 4 1HA GLY 4 3.111 -14.879 -15.356 16 HA3 GLY 4 2HA GLY 4 4.337 -13.923 -14.537 17 H SER 5 H SER 5 1.982 -14.930 -13.324 18 HA SER 5 HA SER 5 0.439 -12.464 -12.862 19 HB2 SER 5 1HB SER 5 -0.788 -14.525 -13.701 20 HB3 SER 5 2HB SER 5 -0.427 -15.268 -12.143 21 HG SER 5 HG SER 5 -2.502 -13.932 -12.570 22 H SER 6 H SER 6 1.810 -15.295 -11.205 23 HA SER 6 HA SER 6 1.827 -13.737 -8.707 24 HB2 SER 6 1HB SER 6 1.717 -15.759 -7.491 25 HB3 SER 6 2HB SER 6 0.597 -15.991 -8.833 26 HG SER 6 HG SER 6 2.308 -17.107 -9.918 27 H GLY 7 H GLY 7 3.688 -14.119 -7.255 28 HA2 GLY 7 1HA GLY 7 6.126 -15.141 -8.404 29 HA3 GLY 7 2HA GLY 7 6.090 -13.388 -8.290 30 H GLU 8 H GLU 8 6.288 -12.397 -6.307 31 HA GLU 8 HA GLU 8 6.660 -14.162 -3.983 32 HB2 GLU 8 1HB GLU 8 8.508 -12.039 -5.032 33 HB3 GLU 8 2HB GLU 8 8.501 -12.454 -3.324 34 HG2 GLU 8 1HG GLU 8 9.012 -14.375 -5.584 35 HG3 GLU 8 2HG GLU 8 10.245 -13.639 -4.560 36 H LYS 9 H LYS 9 6.039 -10.891 -5.164 37 HA LYS 9 HA LYS 9 5.163 -9.044 -4.097 38 HB2 LYS 9 1HB LYS 9 3.196 -11.221 -3.365 39 HB3 LYS 9 2HB LYS 9 2.866 -9.496 -3.261 40 HG2 LYS 9 1HG LYS 9 3.244 -9.311 -5.693 41 HG3 LYS 9 2HG LYS 9 3.464 -11.062 -5.763 42 HD2 LYS 9 1HD LYS 9 1.222 -11.468 -5.155 43 HD3 LYS 9 2HD LYS 9 0.980 -9.800 -4.629 44 HE2 LYS 9 1HE LYS 9 1.722 -10.339 -7.467 45 HE3 LYS 9 2HE LYS 9 0.064 -10.632 -6.945 46 HZ1 LYS 9 3HZ LYS 9 0.221 -8.271 -5.995 47 HZ2 LYS 9 1HZ LYS 9 0.030 -8.449 -7.667 48 HZ3 LYS 9 2HZ LYS 9 1.552 -8.087 -7.023 49 HA PRO 10 HA PRO 10 6.706 -10.395 0.160 50 HB2 PRO 10 1HB PRO 10 9.009 -8.959 0.134 51 HB3 PRO 10 2HB PRO 10 8.906 -10.619 -0.463 52 HG2 PRO 10 1HG PRO 10 8.870 -8.048 -1.997 53 HG3 PRO 10 2HG PRO 10 9.729 -9.556 -2.360 54 HD2 PRO 10 1HD PRO 10 7.410 -8.871 -3.579 55 HD3 PRO 10 2HD PRO 10 7.854 -10.558 -3.250 56 H PHE 11 H PHE 11 5.621 -7.721 -1.462 57 HA PHE 11 HA PHE 11 5.753 -6.041 0.956 58 HB2 PHE 11 1HB PHE 11 5.742 -5.282 -1.961 59 HB3 PHE 11 2HB PHE 11 5.332 -4.127 -0.697 60 HD1 PHE 11 HD1 PHE 11 8.008 -6.209 -2.112 61 HD2 PHE 11 HD2 PHE 11 7.009 -3.183 0.710 62 HE1 PHE 11 HE1 PHE 11 10.399 -5.727 -1.787 63 HE2 PHE 11 HE2 PHE 11 9.398 -2.695 1.038 64 HZ PHE 11 HZ PHE 11 11.096 -3.967 -0.212 65 H GLY 12 H GLY 12 3.885 -5.558 1.917 66 HA2 GLY 12 1HA GLY 12 1.401 -5.817 0.344 67 HA3 GLY 12 2HA GLY 12 1.543 -6.546 1.937 68 H CYS 13 H CYS 13 -0.243 -4.408 0.812 69 HA CYS 13 HA CYS 13 0.502 -1.966 2.101 70 HB2 CYS 13 1HB CYS 13 -0.965 -2.006 0.122 71 HB3 CYS 13 2HB CYS 13 -2.191 -2.861 1.051 72 H SER 14 H SER 14 -0.857 -0.927 3.777 73 HA SER 14 HA SER 14 -1.483 -2.874 5.878 74 HB2 SER 14 1HB SER 14 0.165 -1.179 6.480 75 HB3 SER 14 2HB SER 14 -0.960 0.105 6.037 76 HG SER 14 HG SER 14 -0.703 -0.995 8.381 77 H CYS 15 H CYS 15 -2.840 -0.137 4.122 78 HA CYS 15 HA CYS 15 -5.268 -0.016 5.596 79 HB2 CYS 15 1HB CYS 15 -4.329 1.103 2.977 80 HB3 CYS 15 2HB CYS 15 -6.030 1.207 3.413 81 HG CYS 15 HG CYS 15 -5.367 3.613 4.237 82 H CYS 16 H CYS 16 -4.329 -1.564 2.553 83 HA CYS 16 HA CYS 16 -6.878 -3.043 2.608 84 HB2 CYS 16 1HB CYS 16 -6.750 -3.235 0.198 85 HB3 CYS 16 2HB CYS 16 -6.606 -1.538 0.646 86 H GLU 17 H GLU 17 -6.555 -5.143 1.142 87 HA GLU 17 HA GLU 17 -4.322 -6.585 2.384 88 HB2 GLU 17 1HB GLU 17 -7.043 -7.362 1.451 89 HB3 GLU 17 2HB GLU 17 -5.774 -8.577 1.387 90 HG2 GLU 17 1HG GLU 17 -5.411 -8.437 3.732 91 HG3 GLU 17 2HG GLU 17 -6.456 -7.024 3.867 92 H LYS 18 H LYS 18 -4.059 -4.878 0.006 93 HA LYS 18 HA LYS 18 -3.559 -6.799 -2.135 94 HB2 LYS 18 1HB LYS 18 -3.323 -3.785 -2.097 95 HB3 LYS 18 2HB LYS 18 -3.087 -4.802 -3.512 96 HG2 LYS 18 1HG LYS 18 -5.369 -5.430 -3.555 97 HG3 LYS 18 2HG LYS 18 -5.659 -4.732 -1.959 98 HD2 LYS 18 1HD LYS 18 -5.341 -2.510 -2.809 99 HD3 LYS 18 2HD LYS 18 -4.823 -3.134 -4.377 100 HE2 LYS 18 1HE LYS 18 -7.023 -4.017 -4.805 101 HE3 LYS 18 2HE LYS 18 -7.556 -3.579 -3.182 102 HZ1 LYS 18 3HZ LYS 18 -6.776 -1.214 -4.036 103 HZ2 LYS 18 1HZ LYS 18 -8.341 -1.798 -4.306 104 HZ3 LYS 18 2HZ LYS 18 -7.179 -1.894 -5.531 105 H ALA 19 H ALA 19 -1.515 -6.983 -3.160 106 HA ALA 19 HA ALA 19 0.770 -5.977 -1.606 107 HB1 ALA 19 3HB ALA 19 0.428 -8.272 -0.923 108 HB2 ALA 19 1HB ALA 19 0.422 -8.801 -2.605 109 HB3 ALA 19 2HB ALA 19 1.897 -8.151 -1.891 110 H PHE 20 H PHE 20 2.723 -5.728 -2.782 111 HA PHE 20 HA PHE 20 2.457 -5.881 -5.706 112 HB2 PHE 20 1HB PHE 20 3.605 -3.555 -4.148 113 HB3 PHE 20 2HB PHE 20 3.616 -3.710 -5.902 114 HD1 PHE 20 HD2 PHE 20 1.235 -3.728 -3.035 115 HD2 PHE 20 HD1 PHE 20 1.932 -2.716 -7.110 116 HE1 PHE 20 HE2 PHE 20 -0.971 -2.642 -3.139 117 HE2 PHE 20 HE1 PHE 20 -0.272 -1.628 -7.220 118 HZ PHE 20 HZ PHE 20 -1.727 -1.591 -5.234 119 H SER 21 H SER 21 4.526 -5.867 -6.851 120 HA SER 21 HA SER 21 6.445 -7.533 -5.483 121 HB2 SER 21 1HB SER 21 5.741 -7.933 -7.853 122 HB3 SER 21 2HB SER 21 6.572 -6.444 -8.304 123 HG SER 21 HG SER 21 8.387 -7.659 -7.036 124 H SER 22 H SER 22 6.442 -4.332 -7.015 125 HA SER 22 HA SER 22 9.049 -3.790 -5.768 126 HB2 SER 22 1HB SER 22 7.655 -2.363 -8.046 127 HB3 SER 22 2HB SER 22 9.231 -1.926 -7.387 128 HG SER 22 HG SER 22 10.114 -3.548 -8.412 129 H LYS 23 H LYS 23 9.338 -2.073 -4.408 130 HA LYS 23 HA LYS 23 7.175 -1.190 -2.870 131 HB2 LYS 23 1HB LYS 23 9.691 -1.224 -2.305 132 HB3 LYS 23 2HB LYS 23 9.757 0.339 -3.108 133 HG2 LYS 23 1HG LYS 23 7.865 1.014 -1.510 134 HG3 LYS 23 2HG LYS 23 8.326 -0.421 -0.591 135 HD2 LYS 23 1HD LYS 23 10.688 0.488 -0.609 136 HD3 LYS 23 2HD LYS 23 10.009 1.993 -1.233 137 HE2 LYS 23 1HE LYS 23 9.053 0.689 1.306 138 HE3 LYS 23 2HE LYS 23 10.356 1.876 1.270 139 HZ1 LYS 23 3HZ LYS 23 8.543 3.192 1.669 140 HZ2 LYS 23 1HZ LYS 23 7.492 2.247 0.739 141 HZ3 LYS 23 2HZ LYS 23 8.604 3.271 -0.020 142 H SER 24 H SER 24 9.089 0.607 -5.282 143 HA SER 24 HA SER 24 7.944 3.042 -5.270 144 HB2 SER 24 1HB SER 24 8.780 1.337 -7.606 145 HB3 SER 24 2HB SER 24 8.173 2.975 -7.844 146 HG SER 24 HG SER 24 9.846 3.579 -6.247 147 H TYR 25 H TYR 25 6.581 0.209 -6.929 148 HA TYR 25 HA TYR 25 4.283 1.502 -7.917 149 HB2 TYR 25 1HB TYR 25 5.132 -1.322 -7.521 150 HB3 TYR 25 2HB TYR 25 3.414 -1.021 -7.759 151 HD1 TYR 25 HD1 TYR 25 3.061 0.847 -9.763 152 HD2 TYR 25 HD2 TYR 25 6.245 -1.955 -9.428 153 HE1 TYR 25 HE1 TYR 25 3.415 0.968 -12.194 154 HE2 TYR 25 HE2 TYR 25 6.608 -1.841 -11.858 155 HH TYR 25 HH TYR 25 5.750 0.417 -13.743 156 H LEU 26 H LEU 26 4.745 -0.524 -5.026 157 HA LEU 26 HA LEU 26 2.176 -0.477 -4.024 158 HB2 LEU 26 1HB LEU 26 3.775 -1.869 -2.986 159 HB3 LEU 26 2HB LEU 26 4.842 -0.510 -2.639 160 HG LEU 26 HG LEU 26 3.116 0.317 -1.020 161 HD11 LEU 26 1HD1 LEU 26 1.557 -1.547 -0.214 162 HD12 LEU 26 2HD1 LEU 26 1.846 -2.289 -1.787 163 HD13 LEU 26 3HD1 LEU 26 1.118 -0.686 -1.689 164 HD21 LEU 26 3HD2 LEU 26 4.315 -2.409 -0.549 165 HD22 LEU 26 1HD2 LEU 26 3.674 -1.353 0.710 166 HD23 LEU 26 2HD2 LEU 26 5.077 -0.850 -0.233 167 H LEU 27 H LEU 27 4.766 1.895 -3.509 168 HA LEU 27 HA LEU 27 3.501 3.570 -1.706 169 HB2 LEU 27 1HB LEU 27 5.407 4.226 -3.943 170 HB3 LEU 27 2HB LEU 27 4.915 5.383 -2.707 171 HG LEU 27 HG LEU 27 6.359 2.797 -2.136 172 HD11 LEU 27 1HD1 LEU 27 8.369 3.890 -2.168 173 HD12 LEU 27 2HD1 LEU 27 7.640 5.474 -1.903 174 HD13 LEU 27 3HD1 LEU 27 7.539 4.712 -3.490 175 HD21 LEU 27 3HD2 LEU 27 6.841 4.249 -0.004 176 HD22 LEU 27 1HD2 LEU 27 5.342 3.332 -0.151 177 HD23 LEU 27 2HD2 LEU 27 5.352 5.064 -0.484 178 H VAL 28 H VAL 28 3.615 4.030 -5.245 179 HA VAL 28 HA VAL 28 1.897 6.158 -5.471 180 HB VAL 28 HB VAL 28 2.113 3.813 -7.364 181 HG11 VAL 28 1HG1 VAL 28 0.117 5.068 -7.849 182 HG12 VAL 28 2HG1 VAL 28 1.010 6.589 -7.778 183 HG13 VAL 28 3HG1 VAL 28 1.335 5.434 -9.071 184 HG21 VAL 28 3HG2 VAL 28 4.173 5.292 -6.665 185 HG22 VAL 28 1HG2 VAL 28 3.919 4.827 -8.348 186 HG23 VAL 28 2HG2 VAL 28 3.454 6.438 -7.798 187 H HIS 29 H HIS 29 1.079 2.730 -5.201 188 HA HIS 29 HA HIS 29 -1.682 2.959 -5.660 189 HB2 HIS 29 1HB HIS 29 -0.994 0.763 -5.730 190 HB3 HIS 29 2HB HIS 29 0.086 0.944 -4.352 191 HD1 HIS 29 HD1 HIS 29 -3.539 0.389 -5.193 192 HD2 HIS 29 HD2 HIS 29 -1.014 0.318 -1.894 193 HE1 HIS 29 HE1 HIS 29 -4.891 -0.630 -3.333 194 H GLN 30 H GLN 30 0.003 2.607 -2.532 195 HA GLN 30 HA GLN 30 -2.047 2.921 -0.792 196 HB2 GLN 30 1HB GLN 30 0.628 4.296 -0.499 197 HB3 GLN 30 2HB GLN 30 -0.471 3.861 0.803 198 HG2 GLN 30 1HG GLN 30 -0.153 1.448 -0.237 199 HG3 GLN 30 2HG GLN 30 1.362 2.162 -0.786 200 HE21 GLN 30 1HE2 GLN 30 0.477 0.135 1.351 201 HE22 GLN 30 2HE2 GLN 30 1.367 0.624 2.749 202 H GLN 31 H GLN 31 -0.399 5.516 -2.540 203 HA GLN 31 HA GLN 31 -1.301 7.786 -1.422 204 HB2 GLN 31 1HB GLN 31 -1.388 7.192 -4.385 205 HB3 GLN 31 2HB GLN 31 -1.396 8.797 -3.667 206 HG2 GLN 31 1HG GLN 31 0.819 8.447 -2.770 207 HG3 GLN 31 2HG GLN 31 0.829 6.791 -3.375 208 HE21 GLN 31 1HE2 GLN 31 2.793 8.650 -4.008 209 HE22 GLN 31 2HE2 GLN 31 2.701 9.005 -5.696 210 H THR 32 H THR 32 -3.235 5.652 -3.480 211 HA THR 32 HA THR 32 -5.520 7.073 -3.858 212 HB THR 32 HB THR 32 -6.782 4.937 -3.753 213 HG1 THR 32 HG1 THR 32 -4.394 3.558 -3.225 214 HG21 THR 32 3HG2 THR 32 -4.930 3.705 -5.300 215 HG22 THR 32 1HG2 THR 32 -4.317 5.358 -5.313 216 HG23 THR 32 2HG2 THR 32 -5.961 5.023 -5.857 217 H HIS 33 H HIS 33 -4.726 5.193 -0.943 218 HA HIS 33 HA HIS 33 -7.079 5.731 0.475 219 HB2 HIS 33 1HB HIS 33 -4.293 5.194 1.526 220 HB3 HIS 33 2HB HIS 33 -5.763 5.140 2.494 221 HD1 HIS 33 HD1 HIS 33 -7.633 3.366 1.321 222 HD2 HIS 33 HD2 HIS 33 -3.575 2.738 0.688 223 HE1 HIS 33 HE1 HIS 33 -7.423 0.954 0.642 224 H ALA 34 H ALA 34 -4.037 7.511 0.262 225 HA ALA 34 HA ALA 34 -4.444 9.381 2.276 226 HB1 ALA 34 3HB ALA 34 -2.412 9.909 1.555 227 HB2 ALA 34 1HB ALA 34 -2.681 9.067 0.029 228 HB3 ALA 34 2HB ALA 34 -3.163 10.756 0.202 229 H GLU 35 H GLU 35 -5.592 9.370 -1.066 230 HA GLU 35 HA GLU 35 -6.650 11.980 -1.089 231 HB2 GLU 35 1HB GLU 35 -7.356 9.514 -2.679 232 HB3 GLU 35 2HB GLU 35 -8.080 11.088 -2.979 233 HG2 GLU 35 1HG GLU 35 -6.144 11.977 -3.823 234 HG3 GLU 35 2HG GLU 35 -5.114 10.849 -2.944 235 H GLU 36 H GLU 36 -8.350 8.864 -0.712 236 HA GLU 36 HA GLU 36 -10.545 8.502 -0.051 237 HB2 GLU 36 1HB GLU 36 -10.758 8.862 2.367 238 HB3 GLU 36 2HB GLU 36 -9.186 8.195 1.953 239 HG2 GLU 36 1HG GLU 36 -8.601 9.806 3.463 240 HG3 GLU 36 2HG GLU 36 -8.440 10.691 1.947 241 H LYS 37 H LYS 37 -10.380 10.895 -1.592 242 HA LYS 37 HA LYS 37 -11.553 13.142 -0.458 243 HB2 LYS 37 1HB LYS 37 -10.651 13.274 -2.668 244 HB3 LYS 37 2HB LYS 37 -11.736 12.020 -3.254 245 HG2 LYS 37 1HG LYS 37 -13.576 13.749 -2.477 246 HG3 LYS 37 2HG LYS 37 -12.257 14.893 -2.733 247 HD2 LYS 37 1HD LYS 37 -12.941 12.853 -4.819 248 HD3 LYS 37 2HD LYS 37 -13.853 14.360 -4.698 249 HE2 LYS 37 1HE LYS 37 -12.068 15.648 -5.340 250 HE3 LYS 37 2HE LYS 37 -10.880 14.497 -4.731 251 HZ1 LYS 37 3HZ LYS 37 -12.183 14.618 -7.323 252 HZ2 LYS 37 1HZ LYS 37 -11.993 13.068 -6.673 253 HZ3 LYS 37 2HZ LYS 37 -10.641 14.057 -6.910 254 HA PRO 38 HA PRO 38 -15.672 11.926 0.515 255 HB2 PRO 38 1HB PRO 38 -16.856 14.368 0.483 256 HB3 PRO 38 2HB PRO 38 -15.777 13.841 1.780 257 HG2 PRO 38 1HG PRO 38 -15.190 15.588 -0.579 258 HG3 PRO 38 2HG PRO 38 -14.687 15.782 1.110 259 HD2 PRO 38 1HD PRO 38 -13.042 14.784 -0.795 260 HD3 PRO 38 2HD PRO 38 -12.963 14.267 0.902 261 H SER 39 H SER 39 -17.805 11.817 -0.368 262 HA SER 39 HA SER 39 -17.820 11.788 -3.249 263 HB2 SER 39 1HB SER 39 -20.133 10.872 -2.954 264 HB3 SER 39 2HB SER 39 -18.895 9.957 -2.093 265 HG SER 39 HG SER 39 -21.046 10.848 -1.047 266 H GLY 40 H GLY 40 -19.511 12.791 -4.541 267 HA2 GLY 40 1HA GLY 40 -20.063 15.502 -3.576 268 HA3 GLY 40 2HA GLY 40 -20.117 14.970 -5.250 269 HA PRO 41 HA PRO 41 -24.495 14.838 -4.937 270 HB2 PRO 41 1HB PRO 41 -25.036 13.123 -6.971 271 HB3 PRO 41 2HB PRO 41 -24.513 14.790 -7.234 272 HG2 PRO 41 1HG PRO 41 -22.908 12.264 -7.324 273 HG3 PRO 41 2HG PRO 41 -22.867 13.656 -8.423 274 HD2 PRO 41 1HD PRO 41 -21.027 13.285 -6.471 275 HD3 PRO 41 2HD PRO 41 -21.545 14.898 -7.001 276 H SER 42 H SER 42 -24.825 13.816 -2.946 277 HA SER 42 HA SER 42 -25.582 11.000 -3.155 278 HB2 SER 42 1HB SER 42 -24.462 10.460 -1.022 279 HB3 SER 42 2HB SER 42 -23.304 10.961 -2.254 280 HG SER 42 HG SER 42 -23.435 11.933 0.098 281 H SER 43 H SER 43 -27.585 10.782 -2.438 282 HA SER 43 HA SER 43 -28.529 12.595 -0.315 283 HB2 SER 43 1HB SER 43 -30.152 11.470 -2.611 284 HB3 SER 43 2HB SER 43 -30.756 12.531 -1.338 285 HG SER 43 HG SER 43 -30.152 13.578 -3.366 286 H GLY 44 H GLY 44 -27.877 10.972 1.218 287 HA2 GLY 44 1HA GLY 44 -29.929 8.892 1.508 288 HA3 GLY 44 2HA GLY 44 -28.239 8.417 1.564 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -7.818 -21.696 -4.766 2 HA2 GLY 1 1HA GLY 1 -6.519 -20.250 -3.205 3 HA3 GLY 1 2HA GLY 1 -6.074 -21.737 -2.380 4 H SER 2 H SER 2 -4.036 -20.210 -3.074 5 HA SER 2 HA SER 2 -2.598 -21.837 -4.937 6 HB2 SER 2 1HB SER 2 -2.193 -20.288 -6.670 7 HB3 SER 2 2HB SER 2 -3.926 -20.162 -6.371 8 HG SER 2 HG SER 2 -3.595 -18.267 -5.279 9 H SER 3 H SER 3 -0.319 -21.193 -5.106 10 HA SER 3 HA SER 3 0.951 -20.824 -2.751 11 HB2 SER 3 1HB SER 3 1.853 -19.859 -5.473 12 HB3 SER 3 2HB SER 3 2.907 -19.950 -4.062 13 HG SER 3 HG SER 3 1.798 -22.002 -5.600 14 H GLY 4 H GLY 4 1.133 -19.261 -1.289 15 HA2 GLY 4 1HA GLY 4 0.024 -16.647 -1.840 16 HA3 GLY 4 2HA GLY 4 0.630 -17.222 -0.293 17 H SER 5 H SER 5 2.239 -15.995 0.398 18 HA SER 5 HA SER 5 3.876 -14.501 -1.456 19 HB2 SER 5 1HB SER 5 3.001 -13.709 0.851 20 HB3 SER 5 2HB SER 5 4.341 -14.644 1.514 21 HG SER 5 HG SER 5 5.539 -12.994 1.055 22 H SER 6 H SER 6 4.212 -17.226 -1.835 23 HA SER 6 HA SER 6 6.327 -18.410 -0.442 24 HB2 SER 6 1HB SER 6 4.735 -19.484 -2.138 25 HB3 SER 6 2HB SER 6 5.811 -18.848 -3.382 26 HG SER 6 HG SER 6 6.983 -20.259 -1.289 27 H GLY 7 H GLY 7 6.378 -16.537 -3.472 28 HA2 GLY 7 1HA GLY 7 8.965 -15.454 -2.835 29 HA3 GLY 7 2HA GLY 7 9.024 -16.640 -4.130 30 H GLU 8 H GLU 8 6.231 -14.611 -3.692 31 HA GLU 8 HA GLU 8 7.117 -12.771 -5.777 32 HB2 GLU 8 1HB GLU 8 4.966 -14.802 -6.069 33 HB3 GLU 8 2HB GLU 8 4.659 -13.205 -6.737 34 HG2 GLU 8 1HG GLU 8 7.174 -14.695 -7.377 35 HG3 GLU 8 2HG GLU 8 5.678 -14.996 -8.259 36 H LYS 9 H LYS 9 6.346 -10.752 -5.517 37 HA LYS 9 HA LYS 9 5.296 -8.967 -4.577 38 HB2 LYS 9 1HB LYS 9 3.102 -11.001 -4.139 39 HB3 LYS 9 2HB LYS 9 2.916 -9.268 -3.903 40 HG2 LYS 9 1HG LYS 9 3.674 -9.064 -6.351 41 HG3 LYS 9 2HG LYS 9 3.305 -10.787 -6.451 42 HD2 LYS 9 1HD LYS 9 1.019 -10.274 -5.594 43 HD3 LYS 9 2HD LYS 9 1.416 -8.557 -5.703 44 HE2 LYS 9 1HE LYS 9 1.508 -8.601 -8.026 45 HE3 LYS 9 2HE LYS 9 1.740 -10.348 -8.081 46 HZ1 LYS 9 3HZ LYS 9 -0.609 -9.065 -8.478 47 HZ2 LYS 9 1HZ LYS 9 -0.743 -9.563 -6.867 48 HZ3 LYS 9 2HZ LYS 9 -0.447 -10.701 -8.083 49 HA PRO 10 HA PRO 10 6.427 -10.742 -0.347 50 HB2 PRO 10 1HB PRO 10 8.846 -9.530 -0.129 51 HB3 PRO 10 2HB PRO 10 8.635 -11.129 -0.853 52 HG2 PRO 10 1HG PRO 10 8.930 -8.467 -2.192 53 HG3 PRO 10 2HG PRO 10 9.674 -10.021 -2.614 54 HD2 PRO 10 1HD PRO 10 7.510 -9.040 -3.914 55 HD3 PRO 10 2HD PRO 10 7.779 -10.780 -3.685 56 H PHE 11 H PHE 11 5.669 -7.886 -1.821 57 HA PHE 11 HA PHE 11 5.926 -6.328 0.663 58 HB2 PHE 11 1HB PHE 11 5.719 -5.470 -2.222 59 HB3 PHE 11 2HB PHE 11 5.494 -4.348 -0.885 60 HD1 PHE 11 HD1 PHE 11 7.918 -6.659 -2.453 61 HD2 PHE 11 HD2 PHE 11 7.331 -3.406 0.228 62 HE1 PHE 11 HE1 PHE 11 10.352 -6.321 -2.336 63 HE2 PHE 11 HE2 PHE 11 9.764 -3.062 0.349 64 HZ PHE 11 HZ PHE 11 11.278 -4.520 -0.934 65 H GLY 12 H GLY 12 4.144 -5.858 1.773 66 HA2 GLY 12 1HA GLY 12 1.549 -6.045 0.369 67 HA3 GLY 12 2HA GLY 12 1.790 -6.702 1.981 68 H CYS 13 H CYS 13 -0.069 -4.623 0.963 69 HA CYS 13 HA CYS 13 0.835 -2.128 2.065 70 HB2 CYS 13 1HB CYS 13 -0.769 -2.258 0.172 71 HB3 CYS 13 2HB CYS 13 -1.959 -2.963 1.261 72 H SER 14 H SER 14 0.016 -1.074 3.909 73 HA SER 14 HA SER 14 -0.694 -2.905 6.056 74 HB2 SER 14 1HB SER 14 1.083 -1.359 6.555 75 HB3 SER 14 2HB SER 14 0.099 0.014 6.051 76 HG SER 14 HG SER 14 -1.197 -0.275 7.829 77 H CYS 15 H CYS 15 -2.044 -0.192 4.284 78 HA CYS 15 HA CYS 15 -4.314 0.165 5.967 79 HB2 CYS 15 1HB CYS 15 -3.555 1.098 3.219 80 HB3 CYS 15 2HB CYS 15 -5.196 1.339 3.807 81 HG CYS 15 HG CYS 15 -3.136 2.356 6.131 82 H CYS 16 H CYS 16 -3.770 -1.537 2.904 83 HA CYS 16 HA CYS 16 -6.347 -2.908 3.307 84 HB2 CYS 16 1HB CYS 16 -6.508 -3.157 0.882 85 HB3 CYS 16 2HB CYS 16 -6.360 -1.457 1.317 86 H GLU 17 H GLU 17 -6.228 -4.991 1.692 87 HA GLU 17 HA GLU 17 -3.956 -6.532 2.729 88 HB2 GLU 17 1HB GLU 17 -6.636 -7.428 1.657 89 HB3 GLU 17 2HB GLU 17 -5.356 -8.521 2.165 90 HG2 GLU 17 1HG GLU 17 -5.532 -7.835 4.417 91 HG3 GLU 17 2HG GLU 17 -6.551 -6.461 3.992 92 H LYS 18 H LYS 18 -3.814 -4.768 0.387 93 HA LYS 18 HA LYS 18 -3.579 -6.613 -1.856 94 HB2 LYS 18 1HB LYS 18 -3.177 -3.624 -1.657 95 HB3 LYS 18 2HB LYS 18 -2.985 -4.550 -3.140 96 HG2 LYS 18 1HG LYS 18 -5.312 -5.174 -3.105 97 HG3 LYS 18 2HG LYS 18 -5.532 -4.383 -1.542 98 HD2 LYS 18 1HD LYS 18 -5.437 -2.271 -2.447 99 HD3 LYS 18 2HD LYS 18 -4.467 -2.790 -3.828 100 HE2 LYS 18 1HE LYS 18 -6.692 -2.228 -4.573 101 HE3 LYS 18 2HE LYS 18 -6.443 -3.967 -4.728 102 HZ1 LYS 18 3HZ LYS 18 -8.410 -2.582 -3.243 103 HZ2 LYS 18 1HZ LYS 18 -7.491 -3.549 -2.202 104 HZ3 LYS 18 2HZ LYS 18 -8.271 -4.243 -3.533 105 H ALA 19 H ALA 19 -1.643 -6.976 -2.988 106 HA ALA 19 HA ALA 19 0.819 -6.214 -1.564 107 HB1 ALA 19 3HB ALA 19 -0.204 -8.889 -2.165 108 HB2 ALA 19 1HB ALA 19 1.473 -8.629 -2.648 109 HB3 ALA 19 2HB ALA 19 0.986 -8.368 -0.972 110 H PHE 20 H PHE 20 2.666 -5.920 -2.839 111 HA PHE 20 HA PHE 20 2.227 -5.912 -5.748 112 HB2 PHE 20 1HB PHE 20 3.566 -3.740 -4.121 113 HB3 PHE 20 2HB PHE 20 3.517 -3.797 -5.880 114 HD1 PHE 20 HD2 PHE 20 1.390 -3.559 -2.859 115 HD2 PHE 20 HD1 PHE 20 1.685 -2.951 -7.061 116 HE1 PHE 20 HE2 PHE 20 -0.758 -2.360 -2.833 117 HE2 PHE 20 HE1 PHE 20 -0.462 -1.750 -7.042 118 HZ PHE 20 HZ PHE 20 -1.687 -1.454 -4.926 119 H SER 21 H SER 21 4.423 -5.541 -6.901 120 HA SER 21 HA SER 21 6.251 -7.546 -5.836 121 HB2 SER 21 1HB SER 21 5.368 -7.454 -8.270 122 HB3 SER 21 2HB SER 21 6.556 -6.171 -8.496 123 HG SER 21 HG SER 21 7.070 -8.829 -7.642 124 H SER 22 H SER 22 6.384 -4.220 -7.088 125 HA SER 22 HA SER 22 9.012 -3.907 -5.806 126 HB2 SER 22 1HB SER 22 8.887 -3.431 -8.247 127 HB3 SER 22 2HB SER 22 7.723 -2.150 -7.909 128 HG SER 22 HG SER 22 10.467 -2.269 -7.330 129 H LYS 23 H LYS 23 9.444 -1.699 -4.906 130 HA LYS 23 HA LYS 23 7.396 -1.046 -3.009 131 HB2 LYS 23 1HB LYS 23 10.124 0.118 -3.567 132 HB3 LYS 23 2HB LYS 23 9.064 0.732 -2.305 133 HG2 LYS 23 1HG LYS 23 9.043 -1.830 -1.610 134 HG3 LYS 23 2HG LYS 23 10.604 -1.794 -2.433 135 HD2 LYS 23 1HD LYS 23 9.783 0.107 -0.239 136 HD3 LYS 23 2HD LYS 23 10.748 -1.350 0.010 137 HE2 LYS 23 1HE LYS 23 12.361 -0.399 -1.700 138 HE3 LYS 23 2HE LYS 23 11.467 1.114 -1.561 139 HZ1 LYS 23 3HZ LYS 23 13.141 -0.238 0.447 140 HZ2 LYS 23 1HZ LYS 23 11.906 0.805 0.948 141 HZ3 LYS 23 2HZ LYS 23 13.153 1.382 -0.038 142 H SER 24 H SER 24 8.940 0.670 -5.712 143 HA SER 24 HA SER 24 7.760 3.118 -5.571 144 HB2 SER 24 1HB SER 24 9.354 2.085 -7.372 145 HB3 SER 24 2HB SER 24 7.855 1.741 -8.236 146 HG SER 24 HG SER 24 8.277 3.724 -8.921 147 H TYR 25 H TYR 25 6.325 0.177 -6.931 148 HA TYR 25 HA TYR 25 3.911 1.381 -7.778 149 HB2 TYR 25 1HB TYR 25 4.821 -1.427 -7.298 150 HB3 TYR 25 2HB TYR 25 3.104 -1.116 -7.526 151 HD1 TYR 25 HD1 TYR 25 2.887 0.812 -9.589 152 HD2 TYR 25 HD2 TYR 25 5.756 -2.308 -9.209 153 HE1 TYR 25 HE1 TYR 25 3.208 0.818 -12.027 154 HE2 TYR 25 HE2 TYR 25 6.085 -2.309 -11.646 155 HH TYR 25 HH TYR 25 3.994 -0.795 -13.784 156 H LEU 26 H LEU 26 4.642 -0.608 -4.911 157 HA LEU 26 HA LEU 26 2.174 -0.503 -3.678 158 HB2 LEU 26 1HB LEU 26 3.825 -1.941 -2.796 159 HB3 LEU 26 2HB LEU 26 4.954 -0.612 -2.545 160 HG LEU 26 HG LEU 26 3.502 0.243 -0.742 161 HD11 LEU 26 1HD1 LEU 26 1.704 -1.750 -1.814 162 HD12 LEU 26 2HD1 LEU 26 1.378 -0.406 -0.720 163 HD13 LEU 26 3HD1 LEU 26 1.940 -1.950 -0.078 164 HD21 LEU 26 3HD2 LEU 26 3.819 -2.420 0.293 165 HD22 LEU 26 1HD2 LEU 26 4.737 -0.959 0.658 166 HD23 LEU 26 2HD2 LEU 26 5.205 -1.977 -0.705 167 H LEU 27 H LEU 27 4.907 1.736 -3.228 168 HA LEU 27 HA LEU 27 3.776 3.451 -1.385 169 HB2 LEU 27 1HB LEU 27 5.587 4.175 -3.684 170 HB3 LEU 27 2HB LEU 27 5.293 5.167 -2.258 171 HG LEU 27 HG LEU 27 6.393 2.417 -1.899 172 HD11 LEU 27 1HD1 LEU 27 7.836 4.761 -3.061 173 HD12 LEU 27 2HD1 LEU 27 7.932 3.055 -3.497 174 HD13 LEU 27 3HD1 LEU 27 8.684 3.628 -2.008 175 HD21 LEU 27 3HD2 LEU 27 7.607 3.664 -0.069 176 HD22 LEU 27 1HD2 LEU 27 5.855 3.560 0.100 177 HD23 LEU 27 2HD2 LEU 27 6.598 5.055 -0.467 178 H VAL 28 H VAL 28 3.781 3.900 -4.926 179 HA VAL 28 HA VAL 28 2.147 6.134 -5.037 180 HB VAL 28 HB VAL 28 2.289 3.877 -7.041 181 HG11 VAL 28 1HG1 VAL 28 1.701 5.846 -8.611 182 HG12 VAL 28 2HG1 VAL 28 0.411 5.085 -7.677 183 HG13 VAL 28 3HG1 VAL 28 1.097 6.622 -7.147 184 HG21 VAL 28 3HG2 VAL 28 4.348 5.442 -6.219 185 HG22 VAL 28 1HG2 VAL 28 4.213 4.736 -7.830 186 HG23 VAL 28 2HG2 VAL 28 3.704 6.402 -7.552 187 H HIS 29 H HIS 29 1.252 2.714 -4.944 188 HA HIS 29 HA HIS 29 -1.481 2.957 -5.413 189 HB2 HIS 29 1HB HIS 29 -0.784 0.758 -5.414 190 HB3 HIS 29 2HB HIS 29 0.228 0.966 -3.987 191 HD1 HIS 29 HD1 HIS 29 -3.432 0.654 -4.919 192 HD2 HIS 29 HD2 HIS 29 -0.918 0.148 -1.651 193 HE1 HIS 29 HE1 HIS 29 -4.860 -0.383 -3.127 194 H GLN 30 H GLN 30 0.302 3.106 -2.346 195 HA GLN 30 HA GLN 30 -1.762 3.271 -0.551 196 HB2 GLN 30 1HB GLN 30 0.990 4.400 -0.634 197 HB3 GLN 30 2HB GLN 30 -0.100 5.008 0.605 198 HG2 GLN 30 1HG GLN 30 -0.154 3.033 1.729 199 HG3 GLN 30 2HG GLN 30 0.113 2.070 0.277 200 HE21 GLN 30 1HE2 GLN 30 2.060 1.244 -0.007 201 HE22 GLN 30 2HE2 GLN 30 3.501 1.742 0.806 202 H GLN 31 H GLN 31 -0.386 5.903 -2.487 203 HA GLN 31 HA GLN 31 -1.550 8.126 -1.534 204 HB2 GLN 31 1HB GLN 31 -1.500 7.320 -4.447 205 HB3 GLN 31 2HB GLN 31 -1.739 8.959 -3.856 206 HG2 GLN 31 1HG GLN 31 0.486 8.905 -2.834 207 HG3 GLN 31 2HG GLN 31 0.725 7.276 -3.463 208 HE21 GLN 31 1HE2 GLN 31 2.170 9.806 -3.956 209 HE22 GLN 31 2HE2 GLN 31 2.157 10.013 -5.671 210 H THR 32 H THR 32 -3.207 5.664 -3.464 211 HA THR 32 HA THR 32 -5.626 6.794 -3.959 212 HB THR 32 HB THR 32 -6.646 4.579 -3.815 213 HG1 THR 32 HG1 THR 32 -5.880 3.499 -2.127 214 HG21 THR 32 3HG2 THR 32 -5.028 3.335 -5.260 215 HG22 THR 32 1HG2 THR 32 -3.844 4.599 -4.935 216 HG23 THR 32 2HG2 THR 32 -5.338 4.989 -5.785 217 H HIS 33 H HIS 33 -4.632 5.295 -0.896 218 HA HIS 33 HA HIS 33 -7.074 5.662 0.455 219 HB2 HIS 33 1HB HIS 33 -4.263 5.465 1.557 220 HB3 HIS 33 2HB HIS 33 -5.732 5.350 2.523 221 HD1 HIS 33 HD1 HIS 33 -7.430 3.411 1.038 222 HD2 HIS 33 HD2 HIS 33 -3.313 2.949 1.353 223 HE1 HIS 33 HE1 HIS 33 -6.997 0.964 0.654 224 H ALA 34 H ALA 34 -4.343 7.774 -0.093 225 HA ALA 34 HA ALA 34 -5.240 9.764 1.798 226 HB1 ALA 34 3HB ALA 34 -2.806 9.196 0.866 227 HB2 ALA 34 1HB ALA 34 -3.247 10.468 -0.274 228 HB3 ALA 34 2HB ALA 34 -3.249 10.796 1.460 229 H GLU 35 H GLU 35 -6.881 8.877 -0.615 230 HA GLU 35 HA GLU 35 -7.149 11.444 -2.003 231 HB2 GLU 35 1HB GLU 35 -8.259 8.702 -2.610 232 HB3 GLU 35 2HB GLU 35 -8.678 10.144 -3.522 233 HG2 GLU 35 1HG GLU 35 -6.249 10.434 -4.024 234 HG3 GLU 35 2HG GLU 35 -5.971 8.861 -3.279 235 H GLU 36 H GLU 36 -8.748 9.354 0.254 236 HA GLU 36 HA GLU 36 -11.261 10.811 0.061 237 HB2 GLU 36 1HB GLU 36 -12.033 9.213 1.802 238 HB3 GLU 36 2HB GLU 36 -11.436 8.424 0.349 239 HG2 GLU 36 1HG GLU 36 -9.395 7.826 1.419 240 HG3 GLU 36 2HG GLU 36 -9.780 8.814 2.827 241 H LYS 37 H LYS 37 -8.866 12.207 0.934 242 HA LYS 37 HA LYS 37 -7.997 13.388 2.729 243 HB2 LYS 37 1HB LYS 37 -10.941 14.077 2.771 244 HB3 LYS 37 2HB LYS 37 -9.680 15.021 3.555 245 HG2 LYS 37 1HG LYS 37 -9.914 16.181 1.607 246 HG3 LYS 37 2HG LYS 37 -8.644 15.046 1.143 247 HD2 LYS 37 1HD LYS 37 -10.534 13.538 0.319 248 HD3 LYS 37 2HD LYS 37 -11.574 14.956 0.474 249 HE2 LYS 37 1HE LYS 37 -9.036 14.874 -1.153 250 HE3 LYS 37 2HE LYS 37 -10.649 14.608 -1.815 251 HZ1 LYS 37 3HZ LYS 37 -9.599 17.089 -0.575 252 HZ2 LYS 37 1HZ LYS 37 -11.235 16.851 -0.935 253 HZ3 LYS 37 2HZ LYS 37 -10.089 16.866 -2.179 254 HA PRO 38 HA PRO 38 -9.677 10.397 5.977 255 HB2 PRO 38 1HB PRO 38 -7.407 8.936 6.270 256 HB3 PRO 38 2HB PRO 38 -8.668 8.528 5.100 257 HG2 PRO 38 1HG PRO 38 -6.079 9.968 4.670 258 HG3 PRO 38 2HG PRO 38 -6.837 8.710 3.677 259 HD2 PRO 38 1HD PRO 38 -6.971 11.340 3.048 260 HD3 PRO 38 2HD PRO 38 -8.276 10.200 2.665 261 H SER 39 H SER 39 -7.527 12.861 5.629 262 HA SER 39 HA SER 39 -5.708 12.981 7.569 263 HB2 SER 39 1HB SER 39 -7.793 15.115 7.057 264 HB3 SER 39 2HB SER 39 -6.278 15.375 7.921 265 HG SER 39 HG SER 39 -6.369 15.863 5.560 266 H GLY 40 H GLY 40 -5.541 13.134 9.769 267 HA2 GLY 40 1HA GLY 40 -7.602 11.993 11.334 268 HA3 GLY 40 2HA GLY 40 -6.137 12.742 11.952 269 HA PRO 41 HA PRO 41 -9.789 15.319 13.227 270 HB2 PRO 41 1HB PRO 41 -9.057 15.503 15.835 271 HB3 PRO 41 2HB PRO 41 -10.029 14.169 15.202 272 HG2 PRO 41 1HG PRO 41 -7.091 14.269 15.769 273 HG3 PRO 41 2HG PRO 41 -8.255 12.978 16.120 274 HD2 PRO 41 1HD PRO 41 -6.578 12.891 13.996 275 HD3 PRO 41 2HD PRO 41 -8.201 12.171 13.961 276 H SER 42 H SER 42 -9.519 17.346 14.837 277 HA SER 42 HA SER 42 -8.689 19.452 15.062 278 HB2 SER 42 1HB SER 42 -6.069 17.972 14.744 279 HB3 SER 42 2HB SER 42 -6.193 19.671 15.201 280 HG SER 42 HG SER 42 -6.948 19.119 17.128 281 H SER 43 H SER 43 -9.636 18.800 12.543 282 HA SER 43 HA SER 43 -7.736 20.108 10.716 283 HB2 SER 43 1HB SER 43 -9.198 19.152 8.902 284 HB3 SER 43 2HB SER 43 -8.379 17.943 9.891 285 HG SER 43 HG SER 43 -11.021 18.825 10.402 286 H GLY 44 H GLY 44 -11.001 20.208 12.000 287 HA2 GLY 44 1HA GLY 44 -11.448 22.851 12.035 288 HA3 GLY 44 2HA GLY 44 -11.737 22.476 10.343 Start of MODEL 13 1 H1 GLY 1 H GLY 1 5.894 -16.396 -19.833 2 HA2 GLY 1 1HA GLY 1 5.084 -14.373 -20.555 3 HA3 GLY 1 2HA GLY 1 5.100 -13.918 -18.858 4 H SER 2 H SER 2 6.421 -12.329 -18.250 5 HA SER 2 HA SER 2 8.675 -11.640 -20.015 6 HB2 SER 2 1HB SER 2 8.210 -9.253 -19.621 7 HB3 SER 2 2HB SER 2 6.843 -10.050 -20.400 8 HG SER 2 HG SER 2 6.853 -9.981 -17.619 9 H SER 3 H SER 3 10.210 -12.565 -18.691 10 HA SER 3 HA SER 3 11.583 -12.847 -16.887 11 HB2 SER 3 1HB SER 3 11.037 -9.875 -16.758 12 HB3 SER 3 2HB SER 3 12.273 -10.682 -15.793 13 HG SER 3 HG SER 3 13.507 -10.797 -17.493 14 H GLY 4 H GLY 4 8.969 -13.591 -16.317 15 HA2 GLY 4 1HA GLY 4 8.717 -12.742 -13.496 16 HA3 GLY 4 2HA GLY 4 7.323 -13.071 -14.514 17 H SER 5 H SER 5 10.343 -14.693 -13.528 18 HA SER 5 HA SER 5 9.246 -17.300 -13.825 19 HB2 SER 5 1HB SER 5 11.314 -18.077 -12.771 20 HB3 SER 5 2HB SER 5 11.670 -16.846 -13.983 21 HG SER 5 HG SER 5 11.979 -16.777 -11.238 22 H SER 6 H SER 6 9.841 -15.200 -11.034 23 HA SER 6 HA SER 6 8.035 -16.918 -9.466 24 HB2 SER 6 1HB SER 6 10.676 -15.715 -8.675 25 HB3 SER 6 2HB SER 6 9.459 -16.098 -7.458 26 HG SER 6 HG SER 6 9.570 -18.235 -8.028 27 H GLY 7 H GLY 7 6.280 -15.555 -9.921 28 HA2 GLY 7 1HA GLY 7 6.386 -12.736 -9.424 29 HA3 GLY 7 2HA GLY 7 4.941 -13.684 -9.743 30 H GLU 8 H GLU 8 7.328 -13.002 -7.201 31 HA GLU 8 HA GLU 8 5.365 -13.728 -5.165 32 HB2 GLU 8 1HB GLU 8 8.248 -12.878 -4.843 33 HB3 GLU 8 2HB GLU 8 7.207 -13.514 -3.577 34 HG2 GLU 8 1HG GLU 8 7.005 -15.607 -4.987 35 HG3 GLU 8 2HG GLU 8 8.324 -14.956 -5.959 36 H LYS 9 H LYS 9 4.728 -12.308 -3.505 37 HA LYS 9 HA LYS 9 5.163 -9.451 -4.082 38 HB2 LYS 9 1HB LYS 9 2.611 -10.791 -3.168 39 HB3 LYS 9 2HB LYS 9 2.843 -9.051 -3.278 40 HG2 LYS 9 1HG LYS 9 3.244 -10.818 -5.662 41 HG3 LYS 9 2HG LYS 9 1.639 -10.247 -5.197 42 HD2 LYS 9 1HD LYS 9 2.899 -7.916 -5.119 43 HD3 LYS 9 2HD LYS 9 3.967 -8.734 -6.262 44 HE2 LYS 9 1HE LYS 9 0.975 -8.635 -6.584 45 HE3 LYS 9 2HE LYS 9 2.055 -7.421 -7.268 46 HZ1 LYS 9 3HZ LYS 9 1.374 -9.345 -8.753 47 HZ2 LYS 9 1HZ LYS 9 2.414 -10.303 -7.823 48 HZ3 LYS 9 2HZ LYS 9 3.025 -8.981 -8.684 49 HA PRO 10 HA PRO 10 6.446 -10.459 0.279 50 HB2 PRO 10 1HB PRO 10 8.817 -9.145 0.142 51 HB3 PRO 10 2HB PRO 10 8.624 -10.832 -0.348 52 HG2 PRO 10 1HG PRO 10 8.698 -8.364 -2.041 53 HG3 PRO 10 2HG PRO 10 9.477 -9.933 -2.316 54 HD2 PRO 10 1HD PRO 10 7.181 -9.211 -3.555 55 HD3 PRO 10 2HD PRO 10 7.544 -10.894 -3.124 56 H PHE 11 H PHE 11 5.544 -7.812 -1.529 57 HA PHE 11 HA PHE 11 5.802 -5.985 0.767 58 HB2 PHE 11 1HB PHE 11 5.755 -5.493 -2.196 59 HB3 PHE 11 2HB PHE 11 5.306 -4.215 -1.071 60 HD1 PHE 11 HD1 PHE 11 7.969 -6.817 -0.921 61 HD2 PHE 11 HD2 PHE 11 7.012 -2.671 -1.041 62 HE1 PHE 11 HE1 PHE 11 10.347 -6.262 -0.612 63 HE2 PHE 11 HE2 PHE 11 9.388 -2.110 -0.733 64 HZ PHE 11 HZ PHE 11 11.059 -3.906 -0.519 65 H GLY 12 H GLY 12 3.975 -5.994 1.911 66 HA2 GLY 12 1HA GLY 12 1.419 -5.969 0.426 67 HA3 GLY 12 2HA GLY 12 1.620 -6.722 2.001 68 H CYS 13 H CYS 13 0.032 -4.343 0.751 69 HA CYS 13 HA CYS 13 0.835 -1.998 2.075 70 HB2 CYS 13 1HB CYS 13 -0.813 -2.129 0.189 71 HB3 CYS 13 2HB CYS 13 -1.990 -2.772 1.330 72 H SER 14 H SER 14 -0.426 -0.904 3.815 73 HA SER 14 HA SER 14 -0.904 -2.808 5.993 74 HB2 SER 14 1HB SER 14 -0.107 0.089 5.910 75 HB3 SER 14 2HB SER 14 -0.792 -0.609 7.378 76 HG SER 14 HG SER 14 1.265 -2.019 6.146 77 H CYS 15 H CYS 15 -2.400 -0.196 4.195 78 HA CYS 15 HA CYS 15 -4.718 -0.016 5.862 79 HB2 CYS 15 1HB CYS 15 -3.747 1.755 4.235 80 HB3 CYS 15 2HB CYS 15 -4.625 0.873 2.991 81 HG CYS 15 HG CYS 15 -6.226 2.027 5.772 82 H CYS 16 H CYS 16 -3.984 -1.570 2.762 83 HA CYS 16 HA CYS 16 -6.516 -3.061 3.000 84 HB2 CYS 16 1HB CYS 16 -6.461 -3.318 0.558 85 HB3 CYS 16 2HB CYS 16 -6.466 -1.619 1.021 86 H GLU 17 H GLU 17 -6.194 -5.120 1.364 87 HA GLU 17 HA GLU 17 -3.927 -6.578 2.538 88 HB2 GLU 17 1HB GLU 17 -5.181 -8.589 2.259 89 HB3 GLU 17 2HB GLU 17 -6.258 -7.402 2.981 90 HG2 GLU 17 1HG GLU 17 -7.023 -6.935 0.575 91 HG3 GLU 17 2HG GLU 17 -6.240 -8.465 0.185 92 H LYS 18 H LYS 18 -3.821 -4.833 0.154 93 HA LYS 18 HA LYS 18 -3.456 -6.675 -2.061 94 HB2 LYS 18 1HB LYS 18 -3.188 -3.684 -1.791 95 HB3 LYS 18 2HB LYS 18 -2.736 -4.543 -3.258 96 HG2 LYS 18 1HG LYS 18 -4.974 -5.273 -3.612 97 HG3 LYS 18 2HG LYS 18 -5.476 -4.686 -2.025 98 HD2 LYS 18 1HD LYS 18 -5.378 -2.458 -2.680 99 HD3 LYS 18 2HD LYS 18 -4.307 -2.804 -4.040 100 HE2 LYS 18 1HE LYS 18 -7.154 -3.773 -3.887 101 HE3 LYS 18 2HE LYS 18 -6.694 -2.244 -4.633 102 HZ1 LYS 18 3HZ LYS 18 -5.453 -4.794 -5.463 103 HZ2 LYS 18 1HZ LYS 18 -5.522 -3.329 -6.307 104 HZ3 LYS 18 2HZ LYS 18 -6.917 -4.270 -6.131 105 H ALA 19 H ALA 19 -1.462 -6.895 -3.204 106 HA ALA 19 HA ALA 19 0.940 -6.180 -1.665 107 HB1 ALA 19 3HB ALA 19 1.791 -8.306 -1.649 108 HB2 ALA 19 1HB ALA 19 0.068 -8.654 -1.497 109 HB3 ALA 19 2HB ALA 19 0.864 -8.808 -3.063 110 H PHE 20 H PHE 20 2.826 -5.857 -2.877 111 HA PHE 20 HA PHE 20 2.480 -5.805 -5.798 112 HB2 PHE 20 1HB PHE 20 3.744 -3.642 -4.101 113 HB3 PHE 20 2HB PHE 20 3.739 -3.672 -5.861 114 HD1 PHE 20 HD2 PHE 20 1.686 -3.229 -2.855 115 HD2 PHE 20 HD1 PHE 20 1.776 -3.108 -7.109 116 HE1 PHE 20 HE2 PHE 20 -0.476 -2.056 -2.864 117 HE2 PHE 20 HE1 PHE 20 -0.386 -1.934 -7.125 118 HZ PHE 20 HZ PHE 20 -1.516 -1.407 -5.001 119 H SER 21 H SER 21 4.457 -5.907 -7.021 120 HA SER 21 HA SER 21 6.328 -7.748 -5.894 121 HB2 SER 21 1HB SER 21 7.479 -7.510 -8.117 122 HB3 SER 21 2HB SER 21 5.778 -7.963 -8.228 123 HG SER 21 HG SER 21 7.034 -5.773 -9.195 124 H SER 22 H SER 22 6.364 -4.315 -6.669 125 HA SER 22 HA SER 22 8.972 -4.108 -5.311 126 HB2 SER 22 1HB SER 22 7.996 -2.325 -7.554 127 HB3 SER 22 2HB SER 22 9.582 -2.283 -6.783 128 HG SER 22 HG SER 22 10.110 -3.616 -8.319 129 H LYS 23 H LYS 23 9.337 -1.688 -4.659 130 HA LYS 23 HA LYS 23 7.176 -1.022 -2.870 131 HB2 LYS 23 1HB LYS 23 9.671 -0.906 -2.332 132 HB3 LYS 23 2HB LYS 23 9.703 0.565 -3.296 133 HG2 LYS 23 1HG LYS 23 7.784 1.337 -1.741 134 HG3 LYS 23 2HG LYS 23 8.360 0.052 -0.677 135 HD2 LYS 23 1HD LYS 23 10.595 1.047 -0.685 136 HD3 LYS 23 2HD LYS 23 10.026 2.326 -1.760 137 HE2 LYS 23 1HE LYS 23 9.927 3.327 0.329 138 HE3 LYS 23 2HE LYS 23 8.272 2.772 0.084 139 HZ1 LYS 23 3HZ LYS 23 8.811 0.797 1.410 140 HZ2 LYS 23 1HZ LYS 23 9.003 2.227 2.295 141 HZ3 LYS 23 2HZ LYS 23 10.360 1.411 1.699 142 H SER 24 H SER 24 9.015 0.879 -5.269 143 HA SER 24 HA SER 24 7.688 3.184 -5.401 144 HB2 SER 24 1HB SER 24 8.707 1.448 -7.627 145 HB3 SER 24 2HB SER 24 7.901 2.972 -7.999 146 HG SER 24 HG SER 24 9.610 4.009 -7.356 147 H TYR 25 H TYR 25 6.497 0.171 -6.840 148 HA TYR 25 HA TYR 25 4.119 1.293 -7.902 149 HB2 TYR 25 1HB TYR 25 5.064 -1.501 -7.352 150 HB3 TYR 25 2HB TYR 25 3.393 -1.214 -7.824 151 HD1 TYR 25 HD1 TYR 25 3.332 0.623 -9.904 152 HD2 TYR 25 HD2 TYR 25 6.395 -2.215 -9.084 153 HE1 TYR 25 HE1 TYR 25 4.004 0.674 -12.269 154 HE2 TYR 25 HE2 TYR 25 7.077 -2.170 -11.447 155 HH TYR 25 HH TYR 25 6.324 -1.573 -13.569 156 H LEU 26 H LEU 26 4.830 -0.474 -4.910 157 HA LEU 26 HA LEU 26 2.210 -0.587 -3.920 158 HB2 LEU 26 1HB LEU 26 3.830 -1.968 -2.912 159 HB3 LEU 26 2HB LEU 26 4.898 -0.606 -2.582 160 HG LEU 26 HG LEU 26 3.319 0.199 -0.878 161 HD11 LEU 26 1HD1 LEU 26 1.828 -2.331 -0.800 162 HD12 LEU 26 2HD1 LEU 26 1.443 -1.270 -2.155 163 HD13 LEU 26 3HD1 LEU 26 1.286 -0.679 -0.501 164 HD21 LEU 26 3HD2 LEU 26 5.174 -1.275 -0.253 165 HD22 LEU 26 1HD2 LEU 26 4.138 -2.680 -0.506 166 HD23 LEU 26 2HD2 LEU 26 3.764 -1.529 0.777 167 H LEU 27 H LEU 27 4.781 1.804 -3.378 168 HA LEU 27 HA LEU 27 3.430 3.444 -1.577 169 HB2 LEU 27 1HB LEU 27 5.510 4.080 -3.656 170 HB3 LEU 27 2HB LEU 27 4.927 5.261 -2.485 171 HG LEU 27 HG LEU 27 6.116 2.664 -1.577 172 HD11 LEU 27 1HD1 LEU 27 7.511 5.017 -2.730 173 HD12 LEU 27 2HD1 LEU 27 7.948 3.309 -2.766 174 HD13 LEU 27 3HD1 LEU 27 8.210 4.255 -1.301 175 HD21 LEU 27 3HD2 LEU 27 5.379 3.619 0.321 176 HD22 LEU 27 1HD2 LEU 27 5.305 5.230 -0.394 177 HD23 LEU 27 2HD2 LEU 27 6.845 4.590 0.178 178 H VAL 28 H VAL 28 3.747 3.902 -5.103 179 HA VAL 28 HA VAL 28 2.103 6.085 -5.413 180 HB VAL 28 HB VAL 28 2.373 3.741 -7.300 181 HG11 VAL 28 1HG1 VAL 28 1.036 6.385 -7.537 182 HG12 VAL 28 2HG1 VAL 28 1.887 5.749 -8.946 183 HG13 VAL 28 3HG1 VAL 28 0.579 4.821 -8.211 184 HG21 VAL 28 3HG2 VAL 28 3.794 6.038 -8.158 185 HG22 VAL 28 1HG2 VAL 28 4.225 5.736 -6.474 186 HG23 VAL 28 2HG2 VAL 28 4.438 4.467 -7.681 187 H HIS 29 H HIS 29 1.223 2.782 -4.779 188 HA HIS 29 HA HIS 29 -1.531 3.053 -5.516 189 HB2 HIS 29 1HB HIS 29 -0.951 0.835 -5.577 190 HB3 HIS 29 2HB HIS 29 0.147 0.973 -4.208 191 HD1 HIS 29 HD1 HIS 29 -3.543 0.687 -4.972 192 HD2 HIS 29 HD2 HIS 29 -0.910 0.228 -1.790 193 HE1 HIS 29 HE1 HIS 29 -4.901 -0.333 -3.117 194 H GLN 30 H GLN 30 0.077 2.687 -2.350 195 HA GLN 30 HA GLN 30 -1.989 2.999 -0.639 196 HB2 GLN 30 1HB GLN 30 0.612 4.491 -0.288 197 HB3 GLN 30 2HB GLN 30 -0.461 3.906 0.977 198 HG2 GLN 30 1HG GLN 30 0.049 1.582 -0.189 199 HG3 GLN 30 2HG GLN 30 1.512 2.438 -0.673 200 HE21 GLN 30 1HE2 GLN 30 1.085 0.181 1.181 201 HE22 GLN 30 2HE2 GLN 30 1.790 0.677 2.679 202 H GLN 31 H GLN 31 -0.481 5.545 -2.538 203 HA GLN 31 HA GLN 31 -1.395 7.840 -1.426 204 HB2 GLN 31 1HB GLN 31 -1.420 7.135 -4.365 205 HB3 GLN 31 2HB GLN 31 -1.571 8.768 -3.729 206 HG2 GLN 31 1HG GLN 31 0.670 8.303 -2.567 207 HG3 GLN 31 2HG GLN 31 0.803 6.948 -3.687 208 HE21 GLN 31 1HE2 GLN 31 2.744 8.634 -3.943 209 HE22 GLN 31 2HE2 GLN 31 2.553 9.687 -5.300 210 H THR 32 H THR 32 -3.281 5.658 -3.489 211 HA THR 32 HA THR 32 -5.596 7.000 -3.875 212 HB THR 32 HB THR 32 -5.169 4.646 -4.588 213 HG1 THR 32 HG1 THR 32 -7.636 4.577 -3.269 214 HG21 THR 32 3HG2 THR 32 -6.149 3.898 -1.836 215 HG22 THR 32 1HG2 THR 32 -4.451 3.864 -2.309 216 HG23 THR 32 2HG2 THR 32 -5.613 2.814 -3.119 217 H HIS 33 H HIS 33 -4.654 5.353 -0.881 218 HA HIS 33 HA HIS 33 -7.050 5.814 0.526 219 HB2 HIS 33 1HB HIS 33 -4.253 5.492 1.635 220 HB3 HIS 33 2HB HIS 33 -5.752 5.304 2.541 221 HD1 HIS 33 HD1 HIS 33 -7.387 3.468 0.866 222 HD2 HIS 33 HD2 HIS 33 -3.280 3.001 1.288 223 HE1 HIS 33 HE1 HIS 33 -6.926 1.055 0.326 224 H ALA 34 H ALA 34 -4.152 7.749 0.082 225 HA ALA 34 HA ALA 34 -4.762 9.707 2.047 226 HB1 ALA 34 3HB ALA 34 -2.547 9.149 0.667 227 HB2 ALA 34 1HB ALA 34 -3.150 10.489 -0.309 228 HB3 ALA 34 2HB ALA 34 -2.836 10.721 1.412 229 H GLU 35 H GLU 35 -5.437 9.422 -1.407 230 HA GLU 35 HA GLU 35 -6.652 12.033 -1.552 231 HB2 GLU 35 1HB GLU 35 -6.274 9.764 -3.476 232 HB3 GLU 35 2HB GLU 35 -7.393 11.064 -3.859 233 HG2 GLU 35 1HG GLU 35 -4.561 11.631 -3.074 234 HG3 GLU 35 2HG GLU 35 -4.994 11.223 -4.733 235 H GLU 36 H GLU 36 -7.922 8.755 -2.177 236 HA GLU 36 HA GLU 36 -10.632 9.654 -1.819 237 HB2 GLU 36 1HB GLU 36 -9.466 6.897 -2.233 238 HB3 GLU 36 2HB GLU 36 -11.189 7.239 -2.153 239 HG2 GLU 36 1HG GLU 36 -9.234 8.205 -4.222 240 HG3 GLU 36 2HG GLU 36 -10.553 7.057 -4.444 241 H LYS 37 H LYS 37 -9.331 10.260 0.472 242 HA LYS 37 HA LYS 37 -9.447 8.246 2.467 243 HB2 LYS 37 1HB LYS 37 -8.061 10.285 2.662 244 HB3 LYS 37 2HB LYS 37 -9.524 11.253 2.789 245 HG2 LYS 37 1HG LYS 37 -10.090 9.821 4.822 246 HG3 LYS 37 2HG LYS 37 -8.412 9.279 4.753 247 HD2 LYS 37 1HD LYS 37 -8.338 11.071 6.238 248 HD3 LYS 37 2HD LYS 37 -7.831 11.791 4.708 249 HE2 LYS 37 1HE LYS 37 -10.204 12.503 4.358 250 HE3 LYS 37 2HE LYS 37 -10.553 11.946 5.994 251 HZ1 LYS 37 3HZ LYS 37 -10.131 14.301 5.998 252 HZ2 LYS 37 1HZ LYS 37 -8.635 14.084 5.238 253 HZ3 LYS 37 2HZ LYS 37 -8.874 13.514 6.813 254 HA PRO 38 HA PRO 38 -13.776 8.123 3.285 255 HB2 PRO 38 1HB PRO 38 -13.684 7.064 5.784 256 HB3 PRO 38 2HB PRO 38 -13.364 6.117 4.326 257 HG2 PRO 38 1HG PRO 38 -11.428 7.359 6.242 258 HG3 PRO 38 2HG PRO 38 -11.383 5.754 5.490 259 HD2 PRO 38 1HD PRO 38 -9.899 7.829 4.582 260 HD3 PRO 38 2HD PRO 38 -10.535 6.568 3.507 261 H SER 39 H SER 39 -14.808 10.001 3.601 262 HA SER 39 HA SER 39 -14.026 11.800 5.735 263 HB2 SER 39 1HB SER 39 -15.638 13.346 4.767 264 HB3 SER 39 2HB SER 39 -14.637 12.663 3.486 265 HG SER 39 HG SER 39 -16.999 11.326 4.098 266 H GLY 40 H GLY 40 -14.644 11.111 7.708 267 HA2 GLY 40 1HA GLY 40 -17.023 9.664 8.235 268 HA3 GLY 40 2HA GLY 40 -16.000 10.438 9.436 269 HA PRO 41 HA PRO 41 -20.100 12.780 8.522 270 HB2 PRO 41 1HB PRO 41 -21.744 11.658 10.368 271 HB3 PRO 41 2HB PRO 41 -21.622 11.069 8.705 272 HG2 PRO 41 1HG PRO 41 -20.330 10.011 11.190 273 HG3 PRO 41 2HG PRO 41 -21.103 9.121 9.865 274 HD2 PRO 41 1HD PRO 41 -18.416 9.380 10.072 275 HD3 PRO 41 2HD PRO 41 -19.248 9.281 8.507 276 H SER 42 H SER 42 -18.677 14.378 9.478 277 HA SER 42 HA SER 42 -19.497 15.048 12.185 278 HB2 SER 42 1HB SER 42 -16.596 14.664 11.413 279 HB3 SER 42 2HB SER 42 -17.126 15.488 12.880 280 HG SER 42 HG SER 42 -18.284 13.030 12.514 281 H SER 43 H SER 43 -18.443 17.244 12.803 282 HA SER 43 HA SER 43 -19.033 19.058 10.629 283 HB2 SER 43 1HB SER 43 -18.285 19.586 13.515 284 HB3 SER 43 2HB SER 43 -18.781 20.822 12.359 285 HG SER 43 HG SER 43 -20.346 19.433 13.891 286 H GLY 44 H GLY 44 -17.315 18.823 9.193 287 HA2 GLY 44 1HA GLY 44 -14.762 19.945 10.167 288 HA3 GLY 44 2HA GLY 44 -14.802 18.566 9.078 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -0.649 -12.929 -18.521 2 HA2 GLY 1 1HA GLY 1 -1.735 -14.737 -19.976 3 HA3 GLY 1 2HA GLY 1 -0.508 -15.296 -18.849 4 H SER 2 H SER 2 -1.254 -17.279 -18.327 5 HA SER 2 HA SER 2 -3.933 -18.014 -18.017 6 HB2 SER 2 1HB SER 2 -1.895 -19.537 -18.261 7 HB3 SER 2 2HB SER 2 -1.649 -19.311 -16.530 8 HG SER 2 HG SER 2 -3.643 -20.247 -16.149 9 H SER 3 H SER 3 -5.060 -18.637 -16.047 10 HA SER 3 HA SER 3 -5.625 -16.711 -14.295 11 HB2 SER 3 1HB SER 3 -6.442 -19.226 -14.445 12 HB3 SER 3 2HB SER 3 -5.344 -19.428 -13.081 13 HG SER 3 HG SER 3 -6.791 -18.523 -11.874 14 H GLY 4 H GLY 4 -4.703 -15.614 -12.675 15 HA2 GLY 4 1HA GLY 4 -3.180 -14.972 -11.079 16 HA3 GLY 4 2HA GLY 4 -2.782 -16.674 -10.893 17 H SER 5 H SER 5 -1.029 -14.323 -10.876 18 HA SER 5 HA SER 5 0.640 -14.934 -13.225 19 HB2 SER 5 1HB SER 5 0.139 -12.422 -11.699 20 HB3 SER 5 2HB SER 5 1.747 -12.661 -12.382 21 HG SER 5 HG SER 5 0.901 -12.694 -14.395 22 H SER 6 H SER 6 2.962 -14.952 -12.898 23 HA SER 6 HA SER 6 3.652 -16.334 -10.450 24 HB2 SER 6 1HB SER 6 4.429 -16.834 -12.924 25 HB3 SER 6 2HB SER 6 5.681 -15.652 -12.542 26 HG SER 6 HG SER 6 6.599 -17.044 -11.249 27 H GLY 7 H GLY 7 4.876 -15.576 -8.809 28 HA2 GLY 7 1HA GLY 7 6.821 -13.706 -8.716 29 HA3 GLY 7 2HA GLY 7 5.363 -12.725 -8.717 30 H GLU 8 H GLU 8 7.060 -12.540 -6.606 31 HA GLU 8 HA GLU 8 5.923 -14.211 -4.484 32 HB2 GLU 8 1HB GLU 8 8.275 -12.313 -4.406 33 HB3 GLU 8 2HB GLU 8 7.755 -13.355 -3.089 34 HG2 GLU 8 1HG GLU 8 9.002 -14.123 -5.701 35 HG3 GLU 8 2HG GLU 8 9.567 -14.458 -4.065 36 H LYS 9 H LYS 9 6.454 -10.815 -5.344 37 HA LYS 9 HA LYS 9 5.575 -8.875 -4.521 38 HB2 LYS 9 1HB LYS 9 3.151 -10.666 -4.269 39 HB3 LYS 9 2HB LYS 9 3.117 -8.908 -4.225 40 HG2 LYS 9 1HG LYS 9 3.628 -8.714 -6.480 41 HG3 LYS 9 2HG LYS 9 4.281 -10.351 -6.573 42 HD2 LYS 9 1HD LYS 9 2.176 -10.393 -7.671 43 HD3 LYS 9 2HD LYS 9 1.947 -11.185 -6.110 44 HE2 LYS 9 1HE LYS 9 0.104 -9.793 -6.232 45 HE3 LYS 9 2HE LYS 9 1.244 -8.823 -5.301 46 HZ1 LYS 9 3HZ LYS 9 1.449 -7.326 -6.946 47 HZ2 LYS 9 1HZ LYS 9 -0.055 -7.924 -7.441 48 HZ3 LYS 9 2HZ LYS 9 1.361 -8.481 -8.179 49 HA PRO 10 HA PRO 10 5.924 -10.461 -0.083 50 HB2 PRO 10 1HB PRO 10 8.390 -9.446 0.426 51 HB3 PRO 10 2HB PRO 10 8.135 -11.065 -0.237 52 HG2 PRO 10 1HG PRO 10 8.865 -8.532 -1.655 53 HG3 PRO 10 2HG PRO 10 9.513 -10.167 -1.881 54 HD2 PRO 10 1HD PRO 10 7.658 -9.093 -3.536 55 HD3 PRO 10 2HD PRO 10 7.727 -10.831 -3.178 56 H PHE 11 H PHE 11 5.696 -7.640 -1.807 57 HA PHE 11 HA PHE 11 5.903 -5.883 0.522 58 HB2 PHE 11 1HB PHE 11 5.452 -5.243 -2.400 59 HB3 PHE 11 2HB PHE 11 5.604 -4.047 -1.118 60 HD1 PHE 11 HD1 PHE 11 7.414 -6.785 -2.840 61 HD2 PHE 11 HD2 PHE 11 7.701 -3.276 -0.449 62 HE1 PHE 11 HE1 PHE 11 9.856 -6.784 -3.141 63 HE2 PHE 11 HE2 PHE 11 10.144 -3.269 -0.746 64 HZ PHE 11 HZ PHE 11 11.224 -5.024 -2.094 65 H GLY 12 H GLY 12 4.115 -6.081 1.757 66 HA2 GLY 12 1HA GLY 12 1.496 -5.933 0.405 67 HA3 GLY 12 2HA GLY 12 1.768 -6.662 1.980 68 H CYS 13 H CYS 13 0.180 -4.257 0.739 69 HA CYS 13 HA CYS 13 1.054 -1.898 1.943 70 HB2 CYS 13 1HB CYS 13 -0.723 -1.985 0.240 71 HB3 CYS 13 2HB CYS 13 -1.792 -2.768 1.399 72 H SER 14 H SER 14 0.154 -0.769 3.800 73 HA SER 14 HA SER 14 -0.178 -2.595 6.057 74 HB2 SER 14 1HB SER 14 0.315 -0.636 7.457 75 HB3 SER 14 2HB SER 14 1.561 -0.864 6.230 76 HG SER 14 HG SER 14 -0.258 0.688 5.152 77 H CYS 15 H CYS 15 -1.855 -0.060 4.321 78 HA CYS 15 HA CYS 15 -3.978 0.217 6.218 79 HB2 CYS 15 1HB CYS 15 -3.540 1.154 3.397 80 HB3 CYS 15 2HB CYS 15 -5.109 1.344 4.170 81 HG CYS 15 HG CYS 15 -4.285 3.758 4.738 82 H CYS 16 H CYS 16 -3.583 -1.493 3.139 83 HA CYS 16 HA CYS 16 -6.058 -2.977 3.741 84 HB2 CYS 16 1HB CYS 16 -6.281 -3.333 1.300 85 HB3 CYS 16 2HB CYS 16 -6.334 -1.629 1.738 86 H GLU 17 H GLU 17 -5.971 -5.112 2.241 87 HA GLU 17 HA GLU 17 -3.569 -6.520 3.154 88 HB2 GLU 17 1HB GLU 17 -6.379 -7.324 2.577 89 HB3 GLU 17 2HB GLU 17 -5.118 -8.525 2.335 90 HG2 GLU 17 1HG GLU 17 -4.468 -8.440 4.605 91 HG3 GLU 17 2HG GLU 17 -5.433 -6.994 4.899 92 H LYS 18 H LYS 18 -3.643 -4.805 0.762 93 HA LYS 18 HA LYS 18 -3.494 -6.646 -1.474 94 HB2 LYS 18 1HB LYS 18 -3.109 -3.667 -1.214 95 HB3 LYS 18 2HB LYS 18 -2.800 -4.529 -2.715 96 HG2 LYS 18 1HG LYS 18 -5.173 -5.373 -2.579 97 HG3 LYS 18 2HG LYS 18 -5.414 -4.214 -1.269 98 HD2 LYS 18 1HD LYS 18 -6.118 -2.999 -3.099 99 HD3 LYS 18 2HD LYS 18 -4.427 -2.507 -2.980 100 HE2 LYS 18 1HE LYS 18 -4.982 -2.998 -5.283 101 HE3 LYS 18 2HE LYS 18 -3.844 -4.198 -4.674 102 HZ1 LYS 18 3HZ LYS 18 -5.286 -5.691 -5.439 103 HZ2 LYS 18 1HZ LYS 18 -6.518 -4.549 -5.638 104 HZ3 LYS 18 2HZ LYS 18 -6.278 -5.280 -4.132 105 H ALA 19 H ALA 19 -1.545 -6.491 -2.938 106 HA ALA 19 HA ALA 19 0.967 -5.990 -1.545 107 HB1 ALA 19 3HB ALA 19 0.045 -8.690 -2.447 108 HB2 ALA 19 1HB ALA 19 1.764 -8.293 -2.412 109 HB3 ALA 19 2HB ALA 19 0.810 -8.219 -0.929 110 H PHE 20 H PHE 20 2.817 -5.960 -2.970 111 HA PHE 20 HA PHE 20 2.221 -5.891 -5.832 112 HB2 PHE 20 1HB PHE 20 3.596 -3.623 -4.376 113 HB3 PHE 20 2HB PHE 20 3.317 -3.723 -6.112 114 HD1 PHE 20 HD2 PHE 20 1.504 -3.681 -2.865 115 HD2 PHE 20 HD1 PHE 20 1.409 -2.792 -7.026 116 HE1 PHE 20 HE2 PHE 20 -0.670 -2.566 -2.574 117 HE2 PHE 20 HE1 PHE 20 -0.764 -1.674 -6.742 118 HZ PHE 20 HZ PHE 20 -1.807 -1.561 -4.514 119 H SER 21 H SER 21 4.161 -5.877 -7.177 120 HA SER 21 HA SER 21 6.204 -7.569 -6.025 121 HB2 SER 21 1HB SER 21 5.350 -8.107 -8.245 122 HB3 SER 21 2HB SER 21 5.839 -6.521 -8.843 123 HG SER 21 HG SER 21 8.015 -7.403 -7.896 124 H SER 22 H SER 22 6.057 -4.383 -7.589 125 HA SER 22 HA SER 22 8.810 -3.860 -6.724 126 HB2 SER 22 1HB SER 22 7.904 -3.447 -9.140 127 HB3 SER 22 2HB SER 22 7.210 -1.985 -8.439 128 HG SER 22 HG SER 22 9.939 -2.661 -8.134 129 H LYS 23 H LYS 23 9.282 -2.451 -5.152 130 HA LYS 23 HA LYS 23 7.455 -1.602 -3.279 131 HB2 LYS 23 1HB LYS 23 9.931 -1.650 -2.988 132 HB3 LYS 23 2HB LYS 23 10.040 -0.192 -3.965 133 HG2 LYS 23 1HG LYS 23 10.168 0.448 -1.680 134 HG3 LYS 23 2HG LYS 23 8.589 0.951 -2.288 135 HD2 LYS 23 1HD LYS 23 7.461 -0.638 -1.062 136 HD3 LYS 23 2HD LYS 23 8.855 -1.718 -0.983 137 HE2 LYS 23 1HE LYS 23 9.951 -0.036 0.519 138 HE3 LYS 23 2HE LYS 23 8.420 0.837 0.555 139 HZ1 LYS 23 3HZ LYS 23 7.389 -1.235 1.411 140 HZ2 LYS 23 1HZ LYS 23 8.529 -0.557 2.462 141 HZ3 LYS 23 2HZ LYS 23 8.933 -1.914 1.538 142 H SER 24 H SER 24 8.977 0.480 -5.747 143 HA SER 24 HA SER 24 7.738 2.836 -5.361 144 HB2 SER 24 1HB SER 24 8.068 1.532 -8.074 145 HB3 SER 24 2HB SER 24 7.891 3.260 -7.770 146 HG SER 24 HG SER 24 10.119 2.004 -7.915 147 H TYR 25 H TYR 25 6.309 0.093 -7.106 148 HA TYR 25 HA TYR 25 3.888 1.305 -7.797 149 HB2 TYR 25 1HB TYR 25 4.840 -1.497 -7.498 150 HB3 TYR 25 2HB TYR 25 3.100 -1.239 -7.560 151 HD1 TYR 25 HD1 TYR 25 2.728 0.855 -9.490 152 HD2 TYR 25 HD2 TYR 25 5.543 -2.335 -9.532 153 HE1 TYR 25 HE1 TYR 25 2.832 0.988 -11.943 154 HE2 TYR 25 HE2 TYR 25 5.656 -2.211 -11.986 155 HH TYR 25 HH TYR 25 5.193 -0.264 -13.753 156 H LEU 26 H LEU 26 4.834 -0.453 -4.879 157 HA LEU 26 HA LEU 26 2.303 -0.515 -3.655 158 HB2 LEU 26 1HB LEU 26 3.912 -1.947 -2.757 159 HB3 LEU 26 2HB LEU 26 5.112 -0.663 -2.626 160 HG LEU 26 HG LEU 26 3.777 0.326 -0.780 161 HD11 LEU 26 1HD1 LEU 26 2.265 -2.220 -0.522 162 HD12 LEU 26 2HD1 LEU 26 1.680 -1.008 -1.661 163 HD13 LEU 26 3HD1 LEU 26 1.861 -0.599 0.045 164 HD21 LEU 26 3HD2 LEU 26 5.269 -0.793 0.424 165 HD22 LEU 26 1HD2 LEU 26 5.321 -2.098 -0.761 166 HD23 LEU 26 2HD2 LEU 26 4.119 -2.126 0.529 167 H LEU 27 H LEU 27 5.005 1.768 -3.268 168 HA LEU 27 HA LEU 27 3.873 3.451 -1.382 169 HB2 LEU 27 1HB LEU 27 5.694 4.155 -3.679 170 HB3 LEU 27 2HB LEU 27 5.355 5.203 -2.303 171 HG LEU 27 HG LEU 27 6.509 2.486 -1.837 172 HD11 LEU 27 1HD1 LEU 27 7.749 4.050 -3.626 173 HD12 LEU 27 2HD1 LEU 27 8.606 3.012 -2.487 174 HD13 LEU 27 3HD1 LEU 27 8.404 4.728 -2.136 175 HD21 LEU 27 3HD2 LEU 27 5.695 4.434 -0.157 176 HD22 LEU 27 1HD2 LEU 27 7.390 4.878 -0.364 177 HD23 LEU 27 2HD2 LEU 27 6.965 3.270 0.225 178 H VAL 28 H VAL 28 3.886 3.968 -4.915 179 HA VAL 28 HA VAL 28 2.253 6.177 -5.034 180 HB VAL 28 HB VAL 28 2.320 3.879 -6.995 181 HG11 VAL 28 1HG1 VAL 28 1.626 5.669 -8.625 182 HG12 VAL 28 2HG1 VAL 28 0.388 5.173 -7.469 183 HG13 VAL 28 3HG1 VAL 28 1.262 6.687 -7.231 184 HG21 VAL 28 3HG2 VAL 28 3.745 5.992 -8.049 185 HG22 VAL 28 1HG2 VAL 28 4.199 6.001 -6.345 186 HG23 VAL 28 2HG2 VAL 28 4.429 4.544 -7.312 187 H HIS 29 H HIS 29 1.311 2.776 -4.837 188 HA HIS 29 HA HIS 29 -1.431 3.055 -5.247 189 HB2 HIS 29 1HB HIS 29 -0.795 0.843 -5.222 190 HB3 HIS 29 2HB HIS 29 0.292 1.059 -3.854 191 HD1 HIS 29 HD1 HIS 29 -3.307 0.435 -4.691 192 HD2 HIS 29 HD2 HIS 29 -0.856 0.676 -1.345 193 HE1 HIS 29 HE1 HIS 29 -4.686 -0.446 -2.782 194 H GLN 30 H GLN 30 0.349 3.007 -2.158 195 HA GLN 30 HA GLN 30 -1.623 3.298 -0.339 196 HB2 GLN 30 1HB GLN 30 1.101 4.524 -0.508 197 HB3 GLN 30 2HB GLN 30 0.034 4.985 0.812 198 HG2 GLN 30 1HG GLN 30 0.141 2.942 1.805 199 HG3 GLN 30 2HG GLN 30 0.405 2.092 0.283 200 HE21 GLN 30 1HE2 GLN 30 2.427 1.599 -0.316 201 HE22 GLN 30 2HE2 GLN 30 3.851 2.060 0.546 202 H GLN 31 H GLN 31 -0.351 5.874 -2.404 203 HA GLN 31 HA GLN 31 -1.547 8.097 -1.385 204 HB2 GLN 31 1HB GLN 31 -1.306 7.331 -4.298 205 HB3 GLN 31 2HB GLN 31 -1.677 8.950 -3.722 206 HG2 GLN 31 1HG GLN 31 0.508 8.836 -2.441 207 HG3 GLN 31 2HG GLN 31 0.870 7.400 -3.397 208 HE21 GLN 31 1HE2 GLN 31 0.404 7.793 -5.833 209 HE22 GLN 31 2HE2 GLN 31 1.083 9.245 -6.477 210 H THR 32 H THR 32 -3.062 5.659 -3.460 211 HA THR 32 HA THR 32 -5.481 6.760 -4.023 212 HB THR 32 HB THR 32 -6.462 4.503 -3.963 213 HG1 THR 32 HG1 THR 32 -5.081 3.968 -1.997 214 HG21 THR 32 3HG2 THR 32 -3.639 4.454 -5.032 215 HG22 THR 32 1HG2 THR 32 -5.006 5.210 -5.849 216 HG23 THR 32 2HG2 THR 32 -4.994 3.467 -5.578 217 H HIS 33 H HIS 33 -4.425 5.477 -0.924 218 HA HIS 33 HA HIS 33 -6.918 5.469 0.377 219 HB2 HIS 33 1HB HIS 33 -4.078 5.645 1.352 220 HB3 HIS 33 2HB HIS 33 -5.429 5.742 2.477 221 HD1 HIS 33 HD1 HIS 33 -6.944 3.588 2.675 222 HD2 HIS 33 HD2 HIS 33 -3.464 3.111 0.456 223 HE1 HIS 33 HE1 HIS 33 -6.621 1.104 2.457 224 H ALA 34 H ALA 34 -4.475 7.985 -0.022 225 HA ALA 34 HA ALA 34 -5.406 9.901 1.733 226 HB1 ALA 34 3HB ALA 34 -3.525 9.800 -0.323 227 HB2 ALA 34 1HB ALA 34 -4.599 11.134 -0.744 228 HB3 ALA 34 2HB ALA 34 -3.785 11.116 0.821 229 H GLU 35 H GLU 35 -6.581 9.097 -1.494 230 HA GLU 35 HA GLU 35 -8.661 11.150 -1.256 231 HB2 GLU 35 1HB GLU 35 -7.133 10.678 -3.368 232 HB3 GLU 35 2HB GLU 35 -8.357 9.459 -3.696 233 HG2 GLU 35 1HG GLU 35 -10.050 11.050 -3.925 234 HG3 GLU 35 2HG GLU 35 -9.096 12.307 -3.140 235 H GLU 36 H GLU 36 -10.822 10.411 -2.310 236 HA GLU 36 HA GLU 36 -12.715 9.165 -2.113 237 HB2 GLU 36 1HB GLU 36 -11.105 7.554 -3.367 238 HB3 GLU 36 2HB GLU 36 -11.033 6.695 -1.835 239 HG2 GLU 36 1HG GLU 36 -13.431 6.359 -1.877 240 HG3 GLU 36 2HG GLU 36 -13.553 7.288 -3.370 241 H LYS 37 H LYS 37 -11.257 10.124 0.282 242 HA LYS 37 HA LYS 37 -11.623 8.161 2.337 243 HB2 LYS 37 1HB LYS 37 -10.829 9.781 3.833 244 HB3 LYS 37 2HB LYS 37 -9.988 10.144 2.331 245 HG2 LYS 37 1HG LYS 37 -11.725 11.882 1.874 246 HG3 LYS 37 2HG LYS 37 -12.352 11.592 3.499 247 HD2 LYS 37 1HD LYS 37 -9.453 12.215 3.093 248 HD3 LYS 37 2HD LYS 37 -10.646 13.516 3.102 249 HE2 LYS 37 1HE LYS 37 -11.443 12.334 5.307 250 HE3 LYS 37 2HE LYS 37 -9.803 11.688 5.303 251 HZ1 LYS 37 3HZ LYS 37 -10.507 14.058 6.350 252 HZ2 LYS 37 1HZ LYS 37 -9.972 14.529 4.815 253 HZ3 LYS 37 2HZ LYS 37 -8.942 13.666 5.843 254 HA PRO 38 HA PRO 38 -15.861 8.754 3.321 255 HB2 PRO 38 1HB PRO 38 -15.832 8.313 6.000 256 HB3 PRO 38 2HB PRO 38 -15.629 7.020 4.811 257 HG2 PRO 38 1HG PRO 38 -13.550 8.484 6.392 258 HG3 PRO 38 2HG PRO 38 -13.674 6.750 6.042 259 HD2 PRO 38 1HD PRO 38 -12.011 8.395 4.679 260 HD3 PRO 38 2HD PRO 38 -12.784 6.984 3.929 261 H SER 39 H SER 39 -17.282 9.897 5.046 262 HA SER 39 HA SER 39 -16.583 12.673 4.995 263 HB2 SER 39 1HB SER 39 -18.922 11.287 6.329 264 HB3 SER 39 2HB SER 39 -18.771 13.023 6.061 265 HG SER 39 HG SER 39 -19.811 11.284 4.429 266 H GLY 40 H GLY 40 -17.616 10.658 7.755 267 HA2 GLY 40 1HA GLY 40 -16.992 12.166 9.868 268 HA3 GLY 40 2HA GLY 40 -16.621 10.449 9.850 269 HA PRO 41 HA PRO 41 -12.754 13.341 9.750 270 HB2 PRO 41 1HB PRO 41 -12.411 13.920 12.380 271 HB3 PRO 41 2HB PRO 41 -13.319 14.961 11.278 272 HG2 PRO 41 1HG PRO 41 -14.332 12.942 13.242 273 HG3 PRO 41 2HG PRO 41 -14.943 14.570 12.896 274 HD2 PRO 41 1HD PRO 41 -16.101 12.338 11.893 275 HD3 PRO 41 2HD PRO 41 -16.083 13.881 11.015 276 H SER 42 H SER 42 -10.815 12.354 9.933 277 HA SER 42 HA SER 42 -10.654 9.668 10.758 278 HB2 SER 42 1HB SER 42 -8.192 9.956 10.428 279 HB3 SER 42 2HB SER 42 -9.153 10.516 9.060 280 HG SER 42 HG SER 42 -8.953 12.614 10.501 281 H SER 43 H SER 43 -10.062 8.717 12.622 282 HA SER 43 HA SER 43 -9.170 10.459 14.825 283 HB2 SER 43 1HB SER 43 -10.466 8.998 16.368 284 HB3 SER 43 2HB SER 43 -11.491 9.851 15.213 285 HG SER 43 HG SER 43 -12.207 7.822 15.063 286 H GLY 44 H GLY 44 -7.049 9.699 13.892 287 HA2 GLY 44 1HA GLY 44 -5.182 8.554 14.868 288 HA3 GLY 44 2HA GLY 44 -6.263 7.236 15.296 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.933 -29.824 -7.104 2 HA2 GLY 1 1HA GLY 1 3.674 -29.083 -8.764 3 HA3 GLY 1 2HA GLY 1 2.695 -27.762 -8.144 4 H SER 2 H SER 2 5.047 -27.051 -9.129 5 HA SER 2 HA SER 2 7.047 -27.005 -7.020 6 HB2 SER 2 1HB SER 2 8.465 -25.876 -8.666 7 HB3 SER 2 2HB SER 2 7.749 -27.327 -9.367 8 HG SER 2 HG SER 2 7.634 -24.905 -10.327 9 H SER 3 H SER 3 5.047 -24.692 -8.824 10 HA SER 3 HA SER 3 5.917 -22.472 -7.203 11 HB2 SER 3 1HB SER 3 4.282 -21.170 -8.518 12 HB3 SER 3 2HB SER 3 5.347 -22.115 -9.558 13 HG SER 3 HG SER 3 2.624 -22.427 -9.032 14 H GLY 4 H GLY 4 5.337 -23.002 -5.091 15 HA2 GLY 4 1HA GLY 4 2.623 -23.717 -4.432 16 HA3 GLY 4 2HA GLY 4 3.927 -23.402 -3.296 17 H SER 5 H SER 5 4.663 -20.919 -3.565 18 HA SER 5 HA SER 5 2.279 -19.419 -2.835 19 HB2 SER 5 1HB SER 5 3.880 -17.703 -2.051 20 HB3 SER 5 2HB SER 5 4.216 -19.286 -1.350 21 HG SER 5 HG SER 5 5.701 -17.782 -3.141 22 H SER 6 H SER 6 2.337 -20.014 -5.532 23 HA SER 6 HA SER 6 3.465 -18.481 -7.400 24 HB2 SER 6 1HB SER 6 1.556 -20.087 -7.751 25 HB3 SER 6 2HB SER 6 0.458 -18.791 -7.277 26 HG SER 6 HG SER 6 2.326 -18.218 -9.261 27 H GLY 7 H GLY 7 4.016 -16.407 -7.410 28 HA2 GLY 7 1HA GLY 7 3.119 -14.148 -7.815 29 HA3 GLY 7 2HA GLY 7 2.018 -14.439 -6.478 30 H GLU 8 H GLU 8 5.336 -13.769 -7.375 31 HA GLU 8 HA GLU 8 6.340 -13.671 -4.707 32 HB2 GLU 8 1HB GLU 8 7.421 -12.547 -7.295 33 HB3 GLU 8 2HB GLU 8 8.293 -12.517 -5.769 34 HG2 GLU 8 1HG GLU 8 7.360 -15.010 -7.172 35 HG3 GLU 8 2HG GLU 8 8.994 -14.352 -7.248 36 H LYS 9 H LYS 9 4.840 -12.340 -3.607 37 HA LYS 9 HA LYS 9 5.190 -9.468 -4.161 38 HB2 LYS 9 1HB LYS 9 2.704 -10.986 -3.416 39 HB3 LYS 9 2HB LYS 9 2.855 -9.269 -3.066 40 HG2 LYS 9 1HG LYS 9 1.777 -9.247 -5.093 41 HG3 LYS 9 2HG LYS 9 3.464 -9.078 -5.585 42 HD2 LYS 9 1HD LYS 9 3.377 -11.696 -5.684 43 HD3 LYS 9 2HD LYS 9 1.638 -11.428 -5.825 44 HE2 LYS 9 1HE LYS 9 2.727 -11.604 -8.019 45 HE3 LYS 9 2HE LYS 9 1.987 -10.023 -7.772 46 HZ1 LYS 9 3HZ LYS 9 4.634 -9.916 -6.863 47 HZ2 LYS 9 1HZ LYS 9 3.938 -9.087 -8.163 48 HZ3 LYS 9 2HZ LYS 9 4.645 -10.604 -8.409 49 HA PRO 10 HA PRO 10 6.663 -10.478 0.126 50 HB2 PRO 10 1HB PRO 10 8.942 -9.014 -0.060 51 HB3 PRO 10 2HB PRO 10 8.835 -10.697 -0.590 52 HG2 PRO 10 1HG PRO 10 8.690 -8.187 -2.215 53 HG3 PRO 10 2HG PRO 10 9.554 -9.696 -2.562 54 HD2 PRO 10 1HD PRO 10 7.172 -9.087 -3.695 55 HD3 PRO 10 2HD PRO 10 7.654 -10.755 -3.325 56 H PHE 11 H PHE 11 5.639 -7.791 -1.615 57 HA PHE 11 HA PHE 11 5.786 -6.059 0.762 58 HB2 PHE 11 1HB PHE 11 5.449 -5.264 -2.138 59 HB3 PHE 11 2HB PHE 11 5.534 -4.155 -0.773 60 HD1 PHE 11 HD1 PHE 11 7.431 -6.489 -2.874 61 HD2 PHE 11 HD2 PHE 11 7.621 -3.618 0.263 62 HE1 PHE 11 HE1 PHE 11 9.880 -6.409 -3.099 63 HE2 PHE 11 HE2 PHE 11 10.070 -3.533 0.042 64 HZ PHE 11 HZ PHE 11 11.203 -4.929 -1.641 65 H GLY 12 H GLY 12 3.947 -5.780 1.827 66 HA2 GLY 12 1HA GLY 12 1.417 -5.936 0.310 67 HA3 GLY 12 2HA GLY 12 1.605 -6.723 1.870 68 H CYS 13 H CYS 13 0.135 -4.231 0.521 69 HA CYS 13 HA CYS 13 0.792 -1.928 1.892 70 HB2 CYS 13 1HB CYS 13 -0.893 -2.053 0.085 71 HB3 CYS 13 2HB CYS 13 -1.996 -2.870 1.188 72 H SER 14 H SER 14 -0.237 -0.893 3.733 73 HA SER 14 HA SER 14 -0.632 -2.803 5.909 74 HB2 SER 14 1HB SER 14 1.015 -0.840 6.025 75 HB3 SER 14 2HB SER 14 -0.405 0.192 6.192 76 HG SER 14 HG SER 14 -0.710 -0.529 8.162 77 H CYS 15 H CYS 15 -2.271 -0.188 4.229 78 HA CYS 15 HA CYS 15 -4.513 -0.096 5.997 79 HB2 CYS 15 1HB CYS 15 -3.642 1.695 4.304 80 HB3 CYS 15 2HB CYS 15 -4.634 0.821 3.144 81 HG CYS 15 HG CYS 15 -5.610 2.679 5.809 82 H CYS 16 H CYS 16 -3.888 -1.603 2.852 83 HA CYS 16 HA CYS 16 -6.389 -3.128 3.167 84 HB2 CYS 16 1HB CYS 16 -6.384 -3.404 0.728 85 HB3 CYS 16 2HB CYS 16 -6.378 -1.701 1.173 86 H GLU 17 H GLU 17 -6.080 -5.199 1.539 87 HA GLU 17 HA GLU 17 -3.782 -6.630 2.684 88 HB2 GLU 17 1HB GLU 17 -5.025 -8.640 2.503 89 HB3 GLU 17 2HB GLU 17 -6.134 -7.442 3.155 90 HG2 GLU 17 1HG GLU 17 -6.072 -7.814 0.214 91 HG3 GLU 17 2HG GLU 17 -6.817 -9.075 1.195 92 H LYS 18 H LYS 18 -3.688 -4.913 0.304 93 HA LYS 18 HA LYS 18 -3.403 -6.752 -1.924 94 HB2 LYS 18 1HB LYS 18 -3.053 -3.772 -1.635 95 HB3 LYS 18 2HB LYS 18 -2.627 -4.626 -3.112 96 HG2 LYS 18 1HG LYS 18 -4.960 -5.444 -3.257 97 HG3 LYS 18 2HG LYS 18 -5.354 -4.458 -1.847 98 HD2 LYS 18 1HD LYS 18 -5.048 -2.463 -3.004 99 HD3 LYS 18 2HD LYS 18 -4.064 -3.226 -4.254 100 HE2 LYS 18 1HE LYS 18 -6.055 -2.909 -5.367 101 HE3 LYS 18 2HE LYS 18 -6.248 -4.555 -4.765 102 HZ1 LYS 18 3HZ LYS 18 -7.360 -2.098 -3.520 103 HZ2 LYS 18 1HZ LYS 18 -7.510 -3.662 -2.891 104 HZ3 LYS 18 2HZ LYS 18 -8.236 -3.272 -4.368 105 H ALA 19 H ALA 19 -1.374 -6.648 -3.247 106 HA ALA 19 HA ALA 19 1.051 -6.101 -1.725 107 HB1 ALA 19 3HB ALA 19 0.911 -8.777 -3.020 108 HB2 ALA 19 1HB ALA 19 1.876 -8.234 -1.647 109 HB3 ALA 19 2HB ALA 19 0.154 -8.557 -1.442 110 H PHE 20 H PHE 20 2.892 -5.813 -2.999 111 HA PHE 20 HA PHE 20 2.483 -5.910 -5.910 112 HB2 PHE 20 1HB PHE 20 3.731 -3.636 -4.353 113 HB3 PHE 20 2HB PHE 20 3.704 -3.761 -6.109 114 HD1 PHE 20 HD2 PHE 20 1.496 -3.558 -3.134 115 HD2 PHE 20 HD1 PHE 20 1.901 -2.939 -7.326 116 HE1 PHE 20 HE2 PHE 20 -0.690 -2.430 -3.175 117 HE2 PHE 20 HE1 PHE 20 -0.284 -1.808 -7.373 118 HZ PHE 20 HZ PHE 20 -1.583 -1.553 -5.296 119 H SER 21 H SER 21 4.677 -5.520 -7.053 120 HA SER 21 HA SER 21 6.561 -7.410 -5.877 121 HB2 SER 21 1HB SER 21 5.714 -7.526 -8.299 122 HB3 SER 21 2HB SER 21 6.782 -6.158 -8.612 123 HG SER 21 HG SER 21 8.530 -7.415 -8.032 124 H SER 22 H SER 22 6.521 -4.116 -7.192 125 HA SER 22 HA SER 22 9.157 -3.659 -5.965 126 HB2 SER 22 1HB SER 22 9.193 -3.233 -8.343 127 HB3 SER 22 2HB SER 22 7.761 -2.210 -8.226 128 HG SER 22 HG SER 22 9.164 -0.664 -7.993 129 H LYS 23 H LYS 23 9.420 -2.127 -4.434 130 HA LYS 23 HA LYS 23 7.397 -1.294 -2.802 131 HB2 LYS 23 1HB LYS 23 10.128 -0.220 -3.358 132 HB3 LYS 23 2HB LYS 23 9.050 0.717 -2.333 133 HG2 LYS 23 1HG LYS 23 9.696 -2.174 -1.826 134 HG3 LYS 23 2HG LYS 23 10.621 -0.836 -1.140 135 HD2 LYS 23 1HD LYS 23 7.642 -1.083 -0.800 136 HD3 LYS 23 2HD LYS 23 8.788 -1.828 0.317 137 HE2 LYS 23 1HE LYS 23 9.664 0.268 0.965 138 HE3 LYS 23 2HE LYS 23 8.877 1.097 -0.377 139 HZ1 LYS 23 3HZ LYS 23 6.805 -0.030 0.952 140 HZ2 LYS 23 1HZ LYS 23 7.306 1.579 1.109 141 HZ3 LYS 23 2HZ LYS 23 7.840 0.415 2.214 142 H SER 24 H SER 24 8.898 0.696 -5.353 143 HA SER 24 HA SER 24 7.517 3.000 -5.204 144 HB2 SER 24 1HB SER 24 9.046 2.907 -6.964 145 HB3 SER 24 2HB SER 24 8.378 1.402 -7.596 146 HG SER 24 HG SER 24 7.893 3.621 -8.625 147 H TYR 25 H TYR 25 6.340 0.245 -7.143 148 HA TYR 25 HA TYR 25 3.877 1.206 -7.851 149 HB2 TYR 25 1HB TYR 25 4.951 -1.525 -7.349 150 HB3 TYR 25 2HB TYR 25 3.207 -1.356 -7.518 151 HD1 TYR 25 HD1 TYR 25 2.870 0.633 -9.577 152 HD2 TYR 25 HD2 TYR 25 5.781 -2.457 -9.294 153 HE1 TYR 25 HE1 TYR 25 3.104 0.638 -12.025 154 HE2 TYR 25 HE2 TYR 25 6.025 -2.459 -11.742 155 HH TYR 25 HH TYR 25 4.149 -1.590 -13.777 156 H LEU 26 H LEU 26 4.760 -0.393 -4.817 157 HA LEU 26 HA LEU 26 2.162 -0.443 -3.713 158 HB2 LEU 26 1HB LEU 26 3.805 -1.873 -2.786 159 HB3 LEU 26 2HB LEU 26 4.905 -0.529 -2.487 160 HG LEU 26 HG LEU 26 3.400 0.296 -0.729 161 HD11 LEU 26 1HD1 LEU 26 1.277 -0.475 -1.501 162 HD12 LEU 26 2HD1 LEU 26 1.592 -1.231 0.061 163 HD13 LEU 26 3HD1 LEU 26 1.798 -2.158 -1.424 164 HD21 LEU 26 3HD2 LEU 26 3.710 -1.678 0.838 165 HD22 LEU 26 1HD2 LEU 26 5.160 -1.064 0.044 166 HD23 LEU 26 2HD2 LEU 26 4.390 -2.537 -0.545 167 H LEU 27 H LEU 27 4.864 1.830 -3.289 168 HA LEU 27 HA LEU 27 3.649 3.553 -1.470 169 HB2 LEU 27 1HB LEU 27 5.722 4.008 -3.596 170 HB3 LEU 27 2HB LEU 27 5.195 5.294 -2.513 171 HG LEU 27 HG LEU 27 6.402 2.701 -1.562 172 HD11 LEU 27 1HD1 LEU 27 7.939 4.069 -3.003 173 HD12 LEU 27 2HD1 LEU 27 8.491 3.803 -1.349 174 HD13 LEU 27 3HD1 LEU 27 7.794 5.357 -1.806 175 HD21 LEU 27 3HD2 LEU 27 6.708 3.924 0.523 176 HD22 LEU 27 1HD2 LEU 27 5.006 3.879 0.065 177 HD23 LEU 27 2HD2 LEU 27 5.948 5.349 -0.188 178 H VAL 28 H VAL 28 3.768 3.805 -5.023 179 HA VAL 28 HA VAL 28 2.211 6.113 -5.267 180 HB VAL 28 HB VAL 28 2.506 3.803 -7.190 181 HG11 VAL 28 1HG1 VAL 28 0.560 4.908 -7.891 182 HG12 VAL 28 2HG1 VAL 28 1.219 6.499 -7.502 183 HG13 VAL 28 3HG1 VAL 28 1.845 5.597 -8.882 184 HG21 VAL 28 3HG2 VAL 28 4.043 5.454 -8.335 185 HG22 VAL 28 1HG2 VAL 28 3.960 6.415 -6.859 186 HG23 VAL 28 2HG2 VAL 28 4.627 4.783 -6.812 187 H HIS 29 H HIS 29 1.308 2.789 -4.740 188 HA HIS 29 HA HIS 29 -1.420 3.018 -5.485 189 HB2 HIS 29 1HB HIS 29 -0.744 0.811 -5.395 190 HB3 HIS 29 2HB HIS 29 0.203 1.050 -3.930 191 HD1 HIS 29 HD1 HIS 29 -3.453 0.917 -4.965 192 HD2 HIS 29 HD2 HIS 29 -1.021 0.154 -1.684 193 HE1 HIS 29 HE1 HIS 29 -4.966 -0.089 -3.226 194 H GLN 30 H GLN 30 0.213 3.124 -2.325 195 HA GLN 30 HA GLN 30 -1.923 3.424 -0.647 196 HB2 GLN 30 1HB GLN 30 0.861 4.513 -0.595 197 HB3 GLN 30 2HB GLN 30 -0.286 5.047 0.627 198 HG2 GLN 30 1HG GLN 30 -0.371 3.013 1.642 199 HG3 GLN 30 2HG GLN 30 -0.024 2.132 0.156 200 HE21 GLN 30 1HE2 GLN 30 1.934 1.317 -0.050 201 HE22 GLN 30 2HE2 GLN 30 3.333 1.798 0.843 202 H GLN 31 H GLN 31 -0.864 5.605 -3.067 203 HA GLN 31 HA GLN 31 -1.646 8.080 -2.156 204 HB2 GLN 31 1HB GLN 31 -1.988 6.929 -4.930 205 HB3 GLN 31 2HB GLN 31 -2.117 8.637 -4.534 206 HG2 GLN 31 1HG GLN 31 0.362 7.196 -3.763 207 HG3 GLN 31 2HG GLN 31 0.112 7.594 -5.462 208 HE21 GLN 31 1HE2 GLN 31 1.379 9.265 -5.875 209 HE22 GLN 31 2HE2 GLN 31 1.462 10.722 -4.950 210 H THR 32 H THR 32 -3.668 5.525 -3.534 211 HA THR 32 HA THR 32 -6.075 6.941 -3.672 212 HB THR 32 HB THR 32 -5.651 4.674 -4.668 213 HG1 THR 32 HG1 THR 32 -7.756 4.632 -4.795 214 HG21 THR 32 3HG2 THR 32 -6.241 2.739 -3.147 215 HG22 THR 32 1HG2 THR 32 -6.010 3.844 -1.793 216 HG23 THR 32 2HG2 THR 32 -4.663 3.476 -2.871 217 H HIS 33 H HIS 33 -4.398 5.555 -0.969 218 HA HIS 33 HA HIS 33 -6.683 5.619 0.793 219 HB2 HIS 33 1HB HIS 33 -3.752 5.052 1.200 220 HB3 HIS 33 2HB HIS 33 -4.873 5.165 2.553 221 HD1 HIS 33 HD1 HIS 33 -7.217 3.565 1.764 222 HD2 HIS 33 HD2 HIS 33 -3.361 2.434 0.707 223 HE1 HIS 33 HE1 HIS 33 -7.341 1.095 1.313 224 H ALA 34 H ALA 34 -4.365 7.846 -0.316 225 HA ALA 34 HA ALA 34 -4.627 9.584 2.017 226 HB1 ALA 34 3HB ALA 34 -2.547 9.114 0.259 227 HB2 ALA 34 1HB ALA 34 -3.159 10.696 -0.224 228 HB3 ALA 34 2HB ALA 34 -2.644 10.420 1.440 229 H GLU 35 H GLU 35 -6.685 8.929 -0.241 230 HA GLU 35 HA GLU 35 -7.765 11.613 -0.331 231 HB2 GLU 35 1HB GLU 35 -8.094 11.549 -2.798 232 HB3 GLU 35 2HB GLU 35 -6.408 11.676 -2.317 233 HG2 GLU 35 1HG GLU 35 -6.262 9.176 -2.613 234 HG3 GLU 35 2HG GLU 35 -7.852 9.262 -3.367 235 H GLU 36 H GLU 36 -9.986 11.659 -1.145 236 HA GLU 36 HA GLU 36 -12.124 10.887 -0.812 237 HB2 GLU 36 1HB GLU 36 -11.354 10.151 -3.156 238 HB3 GLU 36 2HB GLU 36 -11.230 8.539 -2.467 239 HG2 GLU 36 1HG GLU 36 -13.361 8.997 -3.661 240 HG3 GLU 36 2HG GLU 36 -13.555 8.473 -1.989 241 H LYS 37 H LYS 37 -10.177 9.982 1.187 242 HA LYS 37 HA LYS 37 -10.655 7.262 1.838 243 HB2 LYS 37 1HB LYS 37 -9.440 7.662 3.800 244 HB3 LYS 37 2HB LYS 37 -8.757 8.799 2.645 245 HG2 LYS 37 1HG LYS 37 -10.928 9.576 4.566 246 HG3 LYS 37 2HG LYS 37 -9.214 9.666 4.980 247 HD2 LYS 37 1HD LYS 37 -8.851 11.140 3.035 248 HD3 LYS 37 2HD LYS 37 -10.582 11.086 2.694 249 HE2 LYS 37 1HE LYS 37 -9.711 11.890 5.421 250 HE3 LYS 37 2HE LYS 37 -9.489 13.043 4.106 251 HZ1 LYS 37 3HZ LYS 37 -11.773 13.117 3.696 252 HZ2 LYS 37 1HZ LYS 37 -11.660 13.143 5.384 253 HZ3 LYS 37 2HZ LYS 37 -12.086 11.713 4.587 254 HA PRO 38 HA PRO 38 -14.606 7.384 3.753 255 HB2 PRO 38 1HB PRO 38 -14.323 5.428 5.614 256 HB3 PRO 38 2HB PRO 38 -14.470 5.094 3.885 257 HG2 PRO 38 1HG PRO 38 -12.012 5.207 5.589 258 HG3 PRO 38 2HG PRO 38 -12.448 4.036 4.331 259 HD2 PRO 38 1HD PRO 38 -10.724 6.076 3.887 260 HD3 PRO 38 2HD PRO 38 -11.794 5.438 2.622 261 H SER 39 H SER 39 -15.544 7.201 6.139 262 HA SER 39 HA SER 39 -14.577 9.504 7.518 263 HB2 SER 39 1HB SER 39 -16.376 8.957 9.164 264 HB3 SER 39 2HB SER 39 -16.954 9.044 7.500 265 HG SER 39 HG SER 39 -16.117 6.543 8.245 266 H GLY 40 H GLY 40 -12.704 9.395 8.593 267 HA2 GLY 40 1HA GLY 40 -11.479 7.139 9.641 268 HA3 GLY 40 2HA GLY 40 -11.173 8.780 10.190 269 HA PRO 41 HA PRO 41 -13.732 6.080 13.266 270 HB2 PRO 41 1HB PRO 41 -11.776 4.763 14.611 271 HB3 PRO 41 2HB PRO 41 -12.601 4.082 13.203 272 HG2 PRO 41 1HG PRO 41 -9.936 5.435 13.366 273 HG3 PRO 41 2HG PRO 41 -10.396 3.974 12.473 274 HD2 PRO 41 1HD PRO 41 -10.159 6.395 11.284 275 HD3 PRO 41 2HD PRO 41 -11.329 5.175 10.741 276 H SER 42 H SER 42 -11.009 8.146 13.267 277 HA SER 42 HA SER 42 -10.574 8.602 15.978 278 HB2 SER 42 1HB SER 42 -10.338 10.455 13.603 279 HB3 SER 42 2HB SER 42 -9.808 10.897 15.226 280 HG SER 42 HG SER 42 -8.251 9.864 13.638 281 H SER 43 H SER 43 -11.218 10.458 17.286 282 HA SER 43 HA SER 43 -14.016 11.224 16.768 283 HB2 SER 43 1HB SER 43 -12.610 10.901 19.430 284 HB3 SER 43 2HB SER 43 -14.289 11.394 19.211 285 HG SER 43 HG SER 43 -14.253 9.200 19.603 286 H GLY 44 H GLY 44 -12.057 12.739 15.594 287 HA2 GLY 44 1HA GLY 44 -12.572 15.282 15.857 288 HA3 GLY 44 2HA GLY 44 -11.663 15.062 17.345 Start of MODEL 16 1 H1 GLY 1 H GLY 1 6.953 -13.474 -17.015 2 HA2 GLY 1 1HA GLY 1 7.185 -11.728 -15.528 3 HA3 GLY 1 2HA GLY 1 5.573 -11.195 -15.982 4 H SER 2 H SER 2 3.775 -12.669 -15.106 5 HA SER 2 HA SER 2 4.449 -13.664 -12.428 6 HB2 SER 2 1HB SER 2 2.087 -11.860 -13.005 7 HB3 SER 2 2HB SER 2 2.560 -12.509 -11.435 8 HG SER 2 HG SER 2 3.320 -10.406 -11.623 9 H SER 3 H SER 3 3.564 -15.578 -11.990 10 HA SER 3 HA SER 3 1.305 -16.477 -13.658 11 HB2 SER 3 1HB SER 3 2.222 -18.784 -13.404 12 HB3 SER 3 2HB SER 3 3.304 -17.701 -14.281 13 HG SER 3 HG SER 3 4.140 -19.110 -12.450 14 H GLY 4 H GLY 4 0.160 -18.419 -12.588 15 HA2 GLY 4 1HA GLY 4 -1.049 -19.276 -10.829 16 HA3 GLY 4 2HA GLY 4 0.196 -18.652 -9.757 17 H SER 5 H SER 5 -3.001 -18.468 -10.497 18 HA SER 5 HA SER 5 -3.915 -15.964 -10.582 19 HB2 SER 5 1HB SER 5 -5.753 -16.616 -9.044 20 HB3 SER 5 2HB SER 5 -5.409 -17.860 -10.246 21 HG SER 5 HG SER 5 -5.035 -19.163 -8.657 22 H SER 6 H SER 6 -2.808 -17.462 -7.543 23 HA SER 6 HA SER 6 -2.528 -14.760 -6.409 24 HB2 SER 6 1HB SER 6 -4.069 -16.338 -5.221 25 HB3 SER 6 2HB SER 6 -2.684 -17.385 -4.909 26 HG SER 6 HG SER 6 -3.198 -14.790 -3.924 27 H GLY 7 H GLY 7 -0.622 -14.140 -5.416 28 HA2 GLY 7 1HA GLY 7 1.641 -16.018 -5.637 29 HA3 GLY 7 2HA GLY 7 1.775 -14.381 -6.262 30 H GLU 8 H GLU 8 3.671 -14.830 -4.605 31 HA GLU 8 HA GLU 8 2.782 -13.791 -1.993 32 HB2 GLU 8 1HB GLU 8 3.933 -16.155 -2.245 33 HB3 GLU 8 2HB GLU 8 5.402 -15.192 -2.300 34 HG2 GLU 8 1HG GLU 8 4.824 -16.039 -0.045 35 HG3 GLU 8 2HG GLU 8 4.980 -14.285 -0.138 36 H LYS 9 H LYS 9 3.265 -11.718 -1.775 37 HA LYS 9 HA LYS 9 5.760 -10.716 -2.982 38 HB2 LYS 9 1HB LYS 9 3.026 -9.558 -2.799 39 HB3 LYS 9 2HB LYS 9 4.382 -8.449 -2.652 40 HG2 LYS 9 1HG LYS 9 3.752 -8.471 -4.929 41 HG3 LYS 9 2HG LYS 9 5.257 -9.385 -4.809 42 HD2 LYS 9 1HD LYS 9 3.950 -10.724 -6.184 43 HD3 LYS 9 2HD LYS 9 3.707 -11.447 -4.592 44 HE2 LYS 9 1HE LYS 9 1.622 -10.136 -4.361 45 HE3 LYS 9 2HE LYS 9 1.857 -9.521 -5.997 46 HZ1 LYS 9 3HZ LYS 9 1.673 -12.415 -5.392 47 HZ2 LYS 9 1HZ LYS 9 1.554 -11.657 -6.900 48 HZ3 LYS 9 2HZ LYS 9 0.317 -11.474 -5.761 49 HA PRO 10 HA PRO 10 7.120 -9.844 1.125 50 HB2 PRO 10 1HB PRO 10 9.116 -8.111 0.506 51 HB3 PRO 10 2HB PRO 10 9.245 -9.856 0.253 52 HG2 PRO 10 1HG PRO 10 8.590 -7.699 -1.717 53 HG3 PRO 10 2HG PRO 10 9.660 -9.101 -1.907 54 HD2 PRO 10 1HD PRO 10 7.139 -9.048 -2.895 55 HD3 PRO 10 2HD PRO 10 7.908 -10.541 -2.319 56 H PHE 11 H PHE 11 5.660 -7.605 -0.959 57 HA PHE 11 HA PHE 11 5.504 -5.616 1.210 58 HB2 PHE 11 1HB PHE 11 5.513 -5.176 -1.780 59 HB3 PHE 11 2HB PHE 11 5.119 -3.924 -0.608 60 HD1 PHE 11 HD2 PHE 11 6.836 -3.002 0.853 61 HD2 PHE 11 HD1 PHE 11 7.769 -5.919 -2.101 62 HE1 PHE 11 HE2 PHE 11 9.225 -2.455 1.074 63 HE2 PHE 11 HE1 PHE 11 10.160 -5.379 -1.885 64 HZ PHE 11 HZ PHE 11 10.890 -3.644 -0.297 65 H GLY 12 H GLY 12 3.544 -5.338 2.042 66 HA2 GLY 12 1HA GLY 12 1.204 -5.895 0.334 67 HA3 GLY 12 2HA GLY 12 1.306 -6.549 1.962 68 H CYS 13 H CYS 13 -0.519 -4.557 0.548 69 HA CYS 13 HA CYS 13 -0.121 -2.020 1.729 70 HB2 CYS 13 1HB CYS 13 -1.596 -2.530 -0.252 71 HB3 CYS 13 2HB CYS 13 -2.764 -3.211 0.876 72 H SER 14 H SER 14 -1.652 -1.021 3.304 73 HA SER 14 HA SER 14 -2.082 -2.872 5.544 74 HB2 SER 14 1HB SER 14 -0.568 -1.016 6.028 75 HB3 SER 14 2HB SER 14 -1.798 0.143 5.526 76 HG SER 14 HG SER 14 -2.335 0.085 7.559 77 H CYS 15 H CYS 15 -3.635 -0.358 3.626 78 HA CYS 15 HA CYS 15 -6.086 -0.402 5.095 79 HB2 CYS 15 1HB CYS 15 -5.173 1.496 3.627 80 HB3 CYS 15 2HB CYS 15 -5.771 0.565 2.259 81 HG CYS 15 HG CYS 15 -7.495 2.745 3.076 82 H CYS 16 H CYS 16 -4.940 -1.890 2.100 83 HA CYS 16 HA CYS 16 -7.414 -3.487 2.017 84 HB2 CYS 16 1HB CYS 16 -7.058 -3.768 -0.356 85 HB3 CYS 16 2HB CYS 16 -6.983 -2.051 0.027 86 H GLU 17 H GLU 17 -6.777 -5.588 0.533 87 HA GLU 17 HA GLU 17 -4.663 -6.918 2.088 88 HB2 GLU 17 1HB GLU 17 -5.818 -9.016 1.602 89 HB3 GLU 17 2HB GLU 17 -6.902 -7.870 2.379 90 HG2 GLU 17 1HG GLU 17 -8.053 -7.438 0.376 91 HG3 GLU 17 2HG GLU 17 -6.807 -8.216 -0.599 92 H LYS 18 H LYS 18 -4.250 -5.298 -0.325 93 HA LYS 18 HA LYS 18 -3.510 -7.284 -2.336 94 HB2 LYS 18 1HB LYS 18 -3.456 -4.262 -2.378 95 HB3 LYS 18 2HB LYS 18 -2.932 -5.277 -3.715 96 HG2 LYS 18 1HG LYS 18 -5.114 -6.079 -4.095 97 HG3 LYS 18 2HG LYS 18 -5.697 -5.440 -2.557 98 HD2 LYS 18 1HD LYS 18 -5.832 -3.294 -3.344 99 HD3 LYS 18 2HD LYS 18 -4.543 -3.532 -4.527 100 HE2 LYS 18 1HE LYS 18 -6.418 -3.400 -5.870 101 HE3 LYS 18 2HE LYS 18 -6.237 -5.141 -5.660 102 HZ1 LYS 18 3HZ LYS 18 -8.169 -5.272 -4.585 103 HZ2 LYS 18 1HZ LYS 18 -8.494 -3.721 -5.178 104 HZ3 LYS 18 2HZ LYS 18 -7.851 -3.915 -3.626 105 H ALA 19 H ALA 19 -1.335 -6.872 -3.438 106 HA ALA 19 HA ALA 19 0.753 -5.878 -1.687 107 HB1 ALA 19 3HB ALA 19 0.470 -8.792 -2.359 108 HB2 ALA 19 1HB ALA 19 2.015 -8.074 -1.903 109 HB3 ALA 19 2HB ALA 19 0.659 -8.042 -0.774 110 H PHE 20 H PHE 20 2.847 -5.787 -2.738 111 HA PHE 20 HA PHE 20 2.763 -6.094 -5.656 112 HB2 PHE 20 1HB PHE 20 3.805 -3.640 -4.227 113 HB3 PHE 20 2HB PHE 20 3.820 -3.913 -5.966 114 HD1 PHE 20 HD2 PHE 20 1.562 -3.507 -3.055 115 HD2 PHE 20 HD1 PHE 20 1.994 -3.310 -7.284 116 HE1 PHE 20 HE2 PHE 20 -0.664 -2.474 -3.230 117 HE2 PHE 20 HE1 PHE 20 -0.231 -2.275 -7.466 118 HZ PHE 20 HZ PHE 20 -1.564 -1.857 -5.438 119 H SER 21 H SER 21 5.002 -5.836 -6.618 120 HA SER 21 HA SER 21 6.845 -7.422 -5.015 121 HB2 SER 21 1HB SER 21 8.058 -7.782 -7.094 122 HB3 SER 21 2HB SER 21 6.341 -8.080 -7.359 123 HG SER 21 HG SER 21 7.605 -5.607 -7.922 124 H SER 22 H SER 22 6.634 -4.264 -6.546 125 HA SER 22 HA SER 22 9.207 -3.541 -5.305 126 HB2 SER 22 1HB SER 22 9.494 -3.236 -7.621 127 HB3 SER 22 2HB SER 22 7.869 -2.582 -7.826 128 HG SER 22 HG SER 22 9.782 -1.259 -6.232 129 H LYS 23 H LYS 23 9.343 -1.722 -4.049 130 HA LYS 23 HA LYS 23 7.084 -0.900 -2.628 131 HB2 LYS 23 1HB LYS 23 9.638 -0.690 -2.091 132 HB3 LYS 23 2HB LYS 23 9.486 0.875 -2.878 133 HG2 LYS 23 1HG LYS 23 8.021 1.684 -1.252 134 HG3 LYS 23 2HG LYS 23 7.653 0.066 -0.650 135 HD2 LYS 23 1HD LYS 23 9.996 -0.121 0.139 136 HD3 LYS 23 2HD LYS 23 10.267 1.548 -0.369 137 HE2 LYS 23 1HE LYS 23 8.213 2.062 1.135 138 HE3 LYS 23 2HE LYS 23 8.566 0.494 1.857 139 HZ1 LYS 23 3HZ LYS 23 10.987 1.692 1.805 140 HZ2 LYS 23 1HZ LYS 23 9.958 1.639 3.147 141 HZ3 LYS 23 2HZ LYS 23 9.959 2.994 2.135 142 H SER 24 H SER 24 8.948 0.935 -5.054 143 HA SER 24 HA SER 24 7.613 3.251 -5.238 144 HB2 SER 24 1HB SER 24 8.418 1.538 -7.602 145 HB3 SER 24 2HB SER 24 8.065 3.264 -7.674 146 HG SER 24 HG SER 24 10.331 2.737 -7.477 147 H TYR 25 H TYR 25 6.547 0.278 -6.885 148 HA TYR 25 HA TYR 25 4.179 1.327 -7.953 149 HB2 TYR 25 1HB TYR 25 5.237 -1.401 -7.416 150 HB3 TYR 25 2HB TYR 25 3.508 -1.251 -7.709 151 HD1 TYR 25 HD1 TYR 25 2.888 0.213 -9.834 152 HD2 TYR 25 HD2 TYR 25 6.626 -1.729 -9.231 153 HE1 TYR 25 HE1 TYR 25 3.298 0.264 -12.259 154 HE2 TYR 25 HE2 TYR 25 7.047 -1.682 -11.654 155 HH TYR 25 HH TYR 25 5.603 0.224 -13.736 156 H LEU 26 H LEU 26 4.832 -0.269 -4.866 157 HA LEU 26 HA LEU 26 2.192 -0.480 -3.961 158 HB2 LEU 26 1HB LEU 26 3.865 -1.683 -2.811 159 HB3 LEU 26 2HB LEU 26 4.818 -0.228 -2.524 160 HG LEU 26 HG LEU 26 3.060 0.558 -0.961 161 HD11 LEU 26 1HD1 LEU 26 1.048 -0.379 -1.222 162 HD12 LEU 26 2HD1 LEU 26 1.691 -1.698 -0.244 163 HD13 LEU 26 3HD1 LEU 26 1.712 -1.813 -2.004 164 HD21 LEU 26 3HD2 LEU 26 4.237 -2.151 -0.343 165 HD22 LEU 26 1HD2 LEU 26 3.621 -0.999 0.842 166 HD23 LEU 26 2HD2 LEU 26 5.038 -0.594 -0.127 167 H LEU 27 H LEU 27 4.574 2.116 -3.536 168 HA LEU 27 HA LEU 27 3.123 3.780 -1.860 169 HB2 LEU 27 1HB LEU 27 5.095 4.414 -4.039 170 HB3 LEU 27 2HB LEU 27 4.431 5.642 -2.964 171 HG LEU 27 HG LEU 27 6.062 3.262 -2.079 172 HD11 LEU 27 1HD1 LEU 27 7.924 4.632 -1.940 173 HD12 LEU 27 2HD1 LEU 27 6.968 6.112 -2.006 174 HD13 LEU 27 3HD1 LEU 27 7.184 5.138 -3.459 175 HD21 LEU 27 3HD2 LEU 27 5.103 3.722 -0.112 176 HD22 LEU 27 1HD2 LEU 27 4.468 5.267 -0.677 177 HD23 LEU 27 2HD2 LEU 27 6.132 5.156 -0.101 178 H VAL 28 H VAL 28 3.353 4.074 -5.411 179 HA VAL 28 HA VAL 28 1.486 6.046 -5.810 180 HB VAL 28 HB VAL 28 1.977 3.643 -7.574 181 HG11 VAL 28 1HG1 VAL 28 -0.151 5.045 -7.938 182 HG12 VAL 28 2HG1 VAL 28 0.951 6.303 -8.500 183 HG13 VAL 28 3HG1 VAL 28 0.900 4.743 -9.322 184 HG21 VAL 28 3HG2 VAL 28 3.840 5.402 -6.853 185 HG22 VAL 28 1HG2 VAL 28 3.764 4.721 -8.478 186 HG23 VAL 28 2HG2 VAL 28 3.100 6.324 -8.162 187 H HIS 29 H HIS 29 0.946 2.641 -5.172 188 HA HIS 29 HA HIS 29 -1.823 2.625 -5.816 189 HB2 HIS 29 1HB HIS 29 -0.765 0.516 -5.806 190 HB3 HIS 29 2HB HIS 29 -0.050 0.788 -4.220 191 HD1 HIS 29 HD1 HIS 29 -3.575 0.510 -5.646 192 HD2 HIS 29 HD2 HIS 29 -1.372 -0.546 -2.286 193 HE1 HIS 29 HE1 HIS 29 -5.158 -0.787 -4.184 194 H GLN 30 H GLN 30 -0.059 2.843 -2.735 195 HA GLN 30 HA GLN 30 -2.445 3.200 -1.194 196 HB2 GLN 30 1HB GLN 30 0.477 3.572 -0.532 197 HB3 GLN 30 2HB GLN 30 -0.816 3.795 0.638 198 HG2 GLN 30 1HG GLN 30 -1.518 1.433 0.161 199 HG3 GLN 30 2HG GLN 30 -0.033 1.261 -0.773 200 HE21 GLN 30 1HE2 GLN 30 0.638 -0.378 0.659 201 HE22 GLN 30 2HE2 GLN 30 1.273 0.002 2.220 202 H GLN 31 H GLN 31 -0.585 5.238 -3.142 203 HA GLN 31 HA GLN 31 -0.616 7.679 -1.839 204 HB2 GLN 31 1HB GLN 31 -0.075 8.615 -3.858 205 HB3 GLN 31 2HB GLN 31 0.281 6.930 -4.212 206 HG2 GLN 31 1HG GLN 31 -2.071 6.771 -5.132 207 HG3 GLN 31 2HG GLN 31 -2.122 8.530 -5.028 208 HE21 GLN 31 1HE2 GLN 31 0.280 9.330 -5.844 209 HE22 GLN 31 2HE2 GLN 31 0.593 8.827 -7.467 210 H THR 32 H THR 32 -3.206 6.005 -3.507 211 HA THR 32 HA THR 32 -5.014 8.252 -3.355 212 HB THR 32 HB THR 32 -5.411 6.886 -5.226 213 HG1 THR 32 HG1 THR 32 -7.343 7.433 -4.062 214 HG21 THR 32 3HG2 THR 32 -5.889 4.417 -4.960 215 HG22 THR 32 1HG2 THR 32 -5.273 4.560 -3.314 216 HG23 THR 32 2HG2 THR 32 -4.217 4.904 -4.684 217 H HIS 33 H HIS 33 -4.296 5.387 -1.499 218 HA HIS 33 HA HIS 33 -6.642 5.204 0.020 219 HB2 HIS 33 1HB HIS 33 -3.832 4.285 0.344 220 HB3 HIS 33 2HB HIS 33 -4.850 4.287 1.780 221 HD1 HIS 33 HD1 HIS 33 -7.334 3.049 1.207 222 HD2 HIS 33 HD2 HIS 33 -3.964 1.926 -0.947 223 HE1 HIS 33 HE1 HIS 33 -7.870 0.785 0.251 224 H ALA 34 H ALA 34 -3.741 7.160 0.447 225 HA ALA 34 HA ALA 34 -4.595 8.210 2.989 226 HB1 ALA 34 3HB ALA 34 -2.623 9.892 2.200 227 HB2 ALA 34 1HB ALA 34 -2.354 8.354 3.022 228 HB3 ALA 34 2HB ALA 34 -2.229 8.449 1.265 229 H GLU 35 H GLU 35 -6.043 8.604 0.241 230 HA GLU 35 HA GLU 35 -6.809 11.357 0.811 231 HB2 GLU 35 1HB GLU 35 -5.471 10.439 -1.682 232 HB3 GLU 35 2HB GLU 35 -6.797 11.580 -1.852 233 HG2 GLU 35 1HG GLU 35 -4.572 12.118 0.068 234 HG3 GLU 35 2HG GLU 35 -4.383 12.463 -1.650 235 H GLU 36 H GLU 36 -8.945 11.424 0.934 236 HA GLU 36 HA GLU 36 -10.505 9.434 -0.573 237 HB2 GLU 36 1HB GLU 36 -12.249 9.709 1.105 238 HB3 GLU 36 2HB GLU 36 -10.725 9.284 1.871 239 HG2 GLU 36 1HG GLU 36 -10.471 11.347 2.836 240 HG3 GLU 36 2HG GLU 36 -11.458 12.157 1.620 241 H LYS 37 H LYS 37 -9.595 11.773 -1.848 242 HA LYS 37 HA LYS 37 -12.137 13.210 -2.250 243 HB2 LYS 37 1HB LYS 37 -9.353 14.222 -1.976 244 HB3 LYS 37 2HB LYS 37 -10.394 15.029 -3.142 245 HG2 LYS 37 1HG LYS 37 -10.619 16.249 -1.156 246 HG3 LYS 37 2HG LYS 37 -12.078 15.260 -1.259 247 HD2 LYS 37 1HD LYS 37 -10.648 13.568 0.151 248 HD3 LYS 37 2HD LYS 37 -9.739 15.019 0.580 249 HE2 LYS 37 1HE LYS 37 -11.401 14.738 2.248 250 HE3 LYS 37 2HE LYS 37 -11.933 16.070 1.224 251 HZ1 LYS 37 3HZ LYS 37 -12.936 13.280 1.212 252 HZ2 LYS 37 1HZ LYS 37 -13.319 14.408 0.011 253 HZ3 LYS 37 2HZ LYS 37 -13.794 14.682 1.611 254 HA PRO 38 HA PRO 38 -11.939 11.862 -6.436 255 HB2 PRO 38 1HB PRO 38 -13.494 13.770 -7.581 256 HB3 PRO 38 2HB PRO 38 -14.150 12.469 -6.580 257 HG2 PRO 38 1HG PRO 38 -13.554 15.309 -5.844 258 HG3 PRO 38 2HG PRO 38 -14.964 14.318 -5.427 259 HD2 PRO 38 1HD PRO 38 -12.924 14.750 -3.699 260 HD3 PRO 38 2HD PRO 38 -13.857 13.239 -3.717 261 H SER 39 H SER 39 -11.806 13.099 -8.722 262 HA SER 39 HA SER 39 -9.590 15.031 -8.526 263 HB2 SER 39 1HB SER 39 -8.949 12.657 -9.244 264 HB3 SER 39 2HB SER 39 -9.832 12.990 -10.735 265 HG SER 39 HG SER 39 -8.430 14.750 -11.090 266 H GLY 40 H GLY 40 -9.873 16.877 -9.604 267 HA2 GLY 40 1HA GLY 40 -10.985 18.495 -10.813 268 HA3 GLY 40 2HA GLY 40 -10.889 17.304 -12.101 269 HA PRO 41 HA PRO 41 -15.360 18.185 -11.441 270 HB2 PRO 41 1HB PRO 41 -15.982 18.131 -14.083 271 HB3 PRO 41 2HB PRO 41 -15.379 19.579 -13.267 272 HG2 PRO 41 1HG PRO 41 -13.897 17.601 -14.957 273 HG3 PRO 41 2HG PRO 41 -13.789 19.371 -14.952 274 HD2 PRO 41 1HD PRO 41 -11.969 17.796 -13.710 275 HD3 PRO 41 2HD PRO 41 -12.409 19.407 -13.106 276 H SER 42 H SER 42 -17.265 16.935 -12.432 277 HA SER 42 HA SER 42 -16.858 14.172 -11.942 278 HB2 SER 42 1HB SER 42 -19.214 13.913 -12.420 279 HB3 SER 42 2HB SER 42 -18.993 15.401 -11.499 280 HG SER 42 HG SER 42 -18.814 15.817 -14.180 281 H SER 43 H SER 43 -15.773 12.906 -13.299 282 HA SER 43 HA SER 43 -16.694 12.607 -16.018 283 HB2 SER 43 1HB SER 43 -13.814 13.398 -15.522 284 HB3 SER 43 2HB SER 43 -14.544 13.022 -17.083 285 HG SER 43 HG SER 43 -14.396 15.293 -16.642 286 H GLY 44 H GLY 44 -16.778 10.496 -16.378 287 HA2 GLY 44 1HA GLY 44 -14.922 8.604 -16.446 288 HA3 GLY 44 2HA GLY 44 -15.195 8.698 -14.712 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -3.342 -24.592 -9.756 2 HA2 GLY 1 1HA GLY 1 -4.465 -23.592 -11.931 3 HA3 GLY 1 2HA GLY 1 -5.554 -22.942 -10.715 4 H SER 2 H SER 2 -4.800 -21.368 -9.261 5 HA SER 2 HA SER 2 -3.700 -19.430 -8.779 6 HB2 SER 2 1HB SER 2 -2.125 -21.106 -7.833 7 HB3 SER 2 2HB SER 2 -1.248 -21.108 -9.363 8 HG SER 2 HG SER 2 -1.602 -18.911 -7.602 9 H SER 3 H SER 3 -4.624 -19.526 -11.392 10 HA SER 3 HA SER 3 -2.466 -18.495 -13.069 11 HB2 SER 3 1HB SER 3 -5.367 -18.977 -13.786 12 HB3 SER 3 2HB SER 3 -4.049 -18.639 -14.907 13 HG SER 3 HG SER 3 -4.574 -20.892 -14.724 14 H GLY 4 H GLY 4 -2.007 -16.407 -12.827 15 HA2 GLY 4 1HA GLY 4 -3.787 -14.357 -13.467 16 HA3 GLY 4 2HA GLY 4 -3.771 -14.497 -11.715 17 H SER 5 H SER 5 -2.147 -13.583 -10.590 18 HA SER 5 HA SER 5 -0.301 -11.905 -12.035 19 HB2 SER 5 1HB SER 5 -0.705 -12.360 -9.070 20 HB3 SER 5 2HB SER 5 0.408 -11.175 -9.753 21 HG SER 5 HG SER 5 -1.317 -9.952 -9.618 22 H SER 6 H SER 6 1.948 -12.008 -11.981 23 HA SER 6 HA SER 6 3.083 -14.554 -11.026 24 HB2 SER 6 1HB SER 6 2.929 -14.684 -13.438 25 HB3 SER 6 2HB SER 6 3.691 -13.103 -13.612 26 HG SER 6 HG SER 6 5.584 -14.008 -12.691 27 H GLY 7 H GLY 7 4.181 -13.934 -9.253 28 HA2 GLY 7 1HA GLY 7 6.648 -12.831 -9.262 29 HA3 GLY 7 2HA GLY 7 5.605 -11.420 -9.161 30 H GLU 8 H GLU 8 7.546 -12.517 -7.226 31 HA GLU 8 HA GLU 8 6.334 -13.814 -5.085 32 HB2 GLU 8 1HB GLU 8 8.684 -11.991 -5.358 33 HB3 GLU 8 2HB GLU 8 8.114 -12.392 -3.744 34 HG2 GLU 8 1HG GLU 8 8.236 -14.843 -4.607 35 HG3 GLU 8 2HG GLU 8 9.318 -14.159 -5.819 36 H LYS 9 H LYS 9 6.888 -10.306 -5.434 37 HA LYS 9 HA LYS 9 5.786 -8.501 -4.598 38 HB2 LYS 9 1HB LYS 9 3.502 -10.474 -4.423 39 HB3 LYS 9 2HB LYS 9 3.340 -8.738 -4.195 40 HG2 LYS 9 1HG LYS 9 3.580 -8.280 -6.413 41 HG3 LYS 9 2HG LYS 9 4.592 -9.696 -6.709 42 HD2 LYS 9 1HD LYS 9 2.653 -10.354 -7.739 43 HD3 LYS 9 2HD LYS 9 2.376 -10.989 -6.115 44 HE2 LYS 9 1HE LYS 9 1.470 -8.231 -6.843 45 HE3 LYS 9 2HE LYS 9 0.504 -9.634 -7.296 46 HZ1 LYS 9 3HZ LYS 9 1.389 -9.551 -4.533 47 HZ2 LYS 9 1HZ LYS 9 -0.107 -10.006 -5.179 48 HZ3 LYS 9 2HZ LYS 9 0.261 -8.369 -4.971 49 HA PRO 10 HA PRO 10 6.392 -10.353 -0.291 50 HB2 PRO 10 1HB PRO 10 8.814 -9.229 0.203 51 HB3 PRO 10 2HB PRO 10 8.627 -10.813 -0.558 52 HG2 PRO 10 1HG PRO 10 9.159 -8.154 -1.825 53 HG3 PRO 10 2HG PRO 10 9.890 -9.729 -2.182 54 HD2 PRO 10 1HD PRO 10 7.918 -8.662 -3.699 55 HD3 PRO 10 2HD PRO 10 8.099 -10.412 -3.462 56 H PHE 11 H PHE 11 5.933 -7.446 -1.811 57 HA PHE 11 HA PHE 11 5.993 -5.907 0.693 58 HB2 PHE 11 1HB PHE 11 6.005 -5.041 -2.198 59 HB3 PHE 11 2HB PHE 11 5.737 -3.918 -0.869 60 HD1 PHE 11 HD1 PHE 11 8.168 -6.428 -2.134 61 HD2 PHE 11 HD2 PHE 11 7.538 -2.917 0.188 62 HE1 PHE 11 HE1 PHE 11 10.600 -6.172 -1.868 63 HE2 PHE 11 HE2 PHE 11 9.970 -2.655 0.458 64 HZ PHE 11 HZ PHE 11 11.504 -4.284 -0.571 65 H GLY 12 H GLY 12 4.114 -5.797 1.721 66 HA2 GLY 12 1HA GLY 12 1.648 -5.663 0.096 67 HA3 GLY 12 2HA GLY 12 1.740 -6.528 1.624 68 H CYS 13 H CYS 13 0.301 -4.011 0.435 69 HA CYS 13 HA CYS 13 0.993 -1.717 1.766 70 HB2 CYS 13 1HB CYS 13 -0.850 -1.889 0.124 71 HB3 CYS 13 2HB CYS 13 -1.825 -2.726 1.327 72 H SER 14 H SER 14 0.132 -0.705 3.698 73 HA SER 14 HA SER 14 -0.006 -2.615 5.902 74 HB2 SER 14 1HB SER 14 1.620 -0.760 6.042 75 HB3 SER 14 2HB SER 14 0.292 0.399 5.959 76 HG SER 14 HG SER 14 -0.152 0.032 7.988 77 H CYS 15 H CYS 15 -1.853 0.027 4.466 78 HA CYS 15 HA CYS 15 -3.937 -0.025 6.411 79 HB2 CYS 15 1HB CYS 15 -3.288 1.874 4.775 80 HB3 CYS 15 2HB CYS 15 -4.271 1.003 3.605 81 HG CYS 15 HG CYS 15 -6.503 1.062 5.538 82 H CYS 16 H CYS 16 -3.545 -1.406 3.173 83 HA CYS 16 HA CYS 16 -5.949 -3.039 3.664 84 HB2 CYS 16 1HB CYS 16 -6.265 -3.154 1.251 85 HB3 CYS 16 2HB CYS 16 -6.197 -1.473 1.770 86 H GLU 17 H GLU 17 -5.752 -4.996 1.887 87 HA GLU 17 HA GLU 17 -3.337 -6.422 2.738 88 HB2 GLU 17 1HB GLU 17 -6.090 -7.253 1.954 89 HB3 GLU 17 2HB GLU 17 -4.773 -8.378 1.658 90 HG2 GLU 17 1HG GLU 17 -5.354 -7.138 4.334 91 HG3 GLU 17 2HG GLU 17 -5.958 -8.711 3.817 92 H LYS 18 H LYS 18 -3.369 -4.456 0.557 93 HA LYS 18 HA LYS 18 -3.208 -5.914 -1.911 94 HB2 LYS 18 1HB LYS 18 -2.497 -3.096 -1.115 95 HB3 LYS 18 2HB LYS 18 -2.187 -3.717 -2.731 96 HG2 LYS 18 1HG LYS 18 -4.927 -4.011 -1.628 97 HG3 LYS 18 2HG LYS 18 -4.397 -2.407 -2.140 98 HD2 LYS 18 1HD LYS 18 -3.704 -3.484 -4.326 99 HD3 LYS 18 2HD LYS 18 -4.579 -4.920 -3.789 100 HE2 LYS 18 1HE LYS 18 -5.815 -2.178 -3.979 101 HE3 LYS 18 2HE LYS 18 -5.876 -3.369 -5.278 102 HZ1 LYS 18 3HZ LYS 18 -6.987 -3.707 -2.545 103 HZ2 LYS 18 1HZ LYS 18 -7.005 -4.889 -3.755 104 HZ3 LYS 18 2HZ LYS 18 -7.878 -3.456 -3.960 105 H ALA 19 H ALA 19 -1.232 -5.940 -3.249 106 HA ALA 19 HA ALA 19 1.305 -5.783 -1.859 107 HB1 ALA 19 3HB ALA 19 1.921 -8.028 -1.976 108 HB2 ALA 19 1HB ALA 19 0.253 -8.081 -1.405 109 HB3 ALA 19 2HB ALA 19 0.618 -8.426 -3.096 110 H PHE 20 H PHE 20 3.061 -5.616 -3.236 111 HA PHE 20 HA PHE 20 2.564 -5.845 -6.114 112 HB2 PHE 20 1HB PHE 20 3.847 -3.420 -4.839 113 HB3 PHE 20 2HB PHE 20 3.564 -3.673 -6.558 114 HD1 PHE 20 HD2 PHE 20 1.829 -3.281 -3.305 115 HD2 PHE 20 HD1 PHE 20 1.560 -3.010 -7.544 116 HE1 PHE 20 HE2 PHE 20 -0.375 -2.209 -3.093 117 HE2 PHE 20 HE1 PHE 20 -0.645 -1.937 -7.339 118 HZ PHE 20 HZ PHE 20 -1.616 -1.537 -5.111 119 H SER 21 H SER 21 4.457 -6.095 -7.391 120 HA SER 21 HA SER 21 6.388 -7.783 -6.364 121 HB2 SER 21 1HB SER 21 5.873 -7.453 -8.791 122 HB3 SER 21 2HB SER 21 6.767 -5.934 -8.731 123 HG SER 21 HG SER 21 8.627 -7.020 -8.444 124 H SER 22 H SER 22 6.622 -4.284 -6.939 125 HA SER 22 HA SER 22 8.941 -4.236 -5.121 126 HB2 SER 22 1HB SER 22 9.524 -3.774 -7.521 127 HB3 SER 22 2HB SER 22 8.487 -2.350 -7.443 128 HG SER 22 HG SER 22 10.915 -2.242 -6.939 129 H LYS 23 H LYS 23 9.111 -2.482 -3.705 130 HA LYS 23 HA LYS 23 6.741 -1.532 -2.593 131 HB2 LYS 23 1HB LYS 23 8.163 0.007 -1.299 132 HB3 LYS 23 2HB LYS 23 8.822 -1.623 -1.332 133 HG2 LYS 23 1HG LYS 23 10.645 -1.014 -2.524 134 HG3 LYS 23 2HG LYS 23 9.780 0.239 -3.418 135 HD2 LYS 23 1HD LYS 23 11.145 1.518 -2.079 136 HD3 LYS 23 2HD LYS 23 9.694 1.418 -1.079 137 HE2 LYS 23 1HE LYS 23 11.654 1.009 0.277 138 HE3 LYS 23 2HE LYS 23 10.701 -0.468 0.146 139 HZ1 LYS 23 3HZ LYS 23 13.326 -0.364 -0.272 140 HZ2 LYS 23 1HZ LYS 23 12.775 -0.129 -1.854 141 HZ3 LYS 23 2HZ LYS 23 12.314 -1.511 -0.995 142 H SER 24 H SER 24 8.816 -0.154 -5.060 143 HA SER 24 HA SER 24 7.998 2.468 -5.123 144 HB2 SER 24 1HB SER 24 9.661 1.109 -6.653 145 HB3 SER 24 2HB SER 24 8.261 0.999 -7.719 146 HG SER 24 HG SER 24 8.171 3.403 -7.332 147 H TYR 25 H TYR 25 6.424 -0.309 -6.682 148 HA TYR 25 HA TYR 25 4.296 1.201 -7.800 149 HB2 TYR 25 1HB TYR 25 4.893 -1.693 -7.422 150 HB3 TYR 25 2HB TYR 25 3.226 -1.237 -7.756 151 HD1 TYR 25 HD1 TYR 25 3.261 0.778 -9.711 152 HD2 TYR 25 HD2 TYR 25 5.963 -2.482 -9.299 153 HE1 TYR 25 HE1 TYR 25 3.774 0.907 -12.113 154 HE2 TYR 25 HE2 TYR 25 6.484 -2.362 -11.699 155 HH TYR 25 HH TYR 25 5.074 -1.413 -13.842 156 H LEU 26 H LEU 26 4.697 -0.595 -4.793 157 HA LEU 26 HA LEU 26 2.023 -0.471 -3.923 158 HB2 LEU 26 1HB LEU 26 3.529 -2.001 -2.888 159 HB3 LEU 26 2HB LEU 26 4.619 -0.698 -2.419 160 HG LEU 26 HG LEU 26 2.900 0.127 -0.845 161 HD11 LEU 26 1HD1 LEU 26 0.956 -1.181 -0.341 162 HD12 LEU 26 2HD1 LEU 26 1.432 -2.422 -1.499 163 HD13 LEU 26 3HD1 LEU 26 0.957 -0.822 -2.068 164 HD21 LEU 26 3HD2 LEU 26 3.015 -2.500 0.235 165 HD22 LEU 26 1HD2 LEU 26 3.995 -1.093 0.647 166 HD23 LEU 26 2HD2 LEU 26 4.520 -2.188 -0.632 167 H LEU 27 H LEU 27 4.754 1.727 -3.498 168 HA LEU 27 HA LEU 27 3.683 3.472 -1.630 169 HB2 LEU 27 1HB LEU 27 5.502 4.026 -3.966 170 HB3 LEU 27 2HB LEU 27 5.151 5.195 -2.695 171 HG LEU 27 HG LEU 27 6.430 2.515 -2.182 172 HD11 LEU 27 1HD1 LEU 27 8.549 3.722 -2.032 173 HD12 LEU 27 2HD1 LEU 27 7.748 5.201 -2.559 174 HD13 LEU 27 3HD1 LEU 27 7.864 3.823 -3.654 175 HD21 LEU 27 3HD2 LEU 27 6.226 5.023 -0.517 176 HD22 LEU 27 1HD2 LEU 27 7.065 3.541 -0.060 177 HD23 LEU 27 2HD2 LEU 27 5.313 3.535 -0.264 178 H VAL 28 H VAL 28 3.608 3.859 -5.178 179 HA VAL 28 HA VAL 28 1.979 6.097 -5.288 180 HB VAL 28 HB VAL 28 2.084 3.808 -7.258 181 HG11 VAL 28 1HG1 VAL 28 1.368 6.620 -7.969 182 HG12 VAL 28 2HG1 VAL 28 0.985 5.117 -8.809 183 HG13 VAL 28 3HG1 VAL 28 0.136 5.538 -7.322 184 HG21 VAL 28 3HG2 VAL 28 3.866 4.856 -8.298 185 HG22 VAL 28 1HG2 VAL 28 3.508 6.419 -7.563 186 HG23 VAL 28 2HG2 VAL 28 4.221 5.131 -6.593 187 H HIS 29 H HIS 29 1.098 2.694 -5.018 188 HA HIS 29 HA HIS 29 -1.647 2.908 -5.476 189 HB2 HIS 29 1HB HIS 29 -0.949 0.712 -5.395 190 HB3 HIS 29 2HB HIS 29 0.092 0.981 -4.001 191 HD1 HIS 29 HD1 HIS 29 -3.421 0.151 -4.944 192 HD2 HIS 29 HD2 HIS 29 -1.167 0.736 -1.504 193 HE1 HIS 29 HE1 HIS 29 -4.850 -0.691 -3.053 194 H GLN 30 H GLN 30 0.142 3.071 -2.404 195 HA GLN 30 HA GLN 30 -1.860 3.330 -0.591 196 HB2 GLN 30 1HB GLN 30 0.863 4.501 -0.794 197 HB3 GLN 30 2HB GLN 30 -0.209 5.177 0.425 198 HG2 GLN 30 1HG GLN 30 -0.213 3.284 1.680 199 HG3 GLN 30 2HG GLN 30 0.026 2.228 0.289 200 HE21 GLN 30 1HE2 GLN 30 2.087 1.791 -0.423 201 HE22 GLN 30 2HE2 GLN 30 3.499 2.199 0.485 202 H GLN 31 H GLN 31 -0.773 5.772 -2.873 203 HA GLN 31 HA GLN 31 -1.830 8.089 -2.002 204 HB2 GLN 31 1HB GLN 31 -2.000 6.917 -4.777 205 HB3 GLN 31 2HB GLN 31 -2.446 8.578 -4.410 206 HG2 GLN 31 1HG GLN 31 -0.260 9.187 -3.906 207 HG3 GLN 31 2HG GLN 31 0.252 7.515 -3.679 208 HE21 GLN 31 1HE2 GLN 31 1.830 8.973 -5.197 209 HE22 GLN 31 2HE2 GLN 31 1.647 8.595 -6.873 210 H THR 32 H THR 32 -3.676 5.418 -3.405 211 HA THR 32 HA THR 32 -6.159 6.473 -3.714 212 HB THR 32 HB THR 32 -7.097 4.261 -3.038 213 HG1 THR 32 HG1 THR 32 -4.405 3.865 -2.227 214 HG21 THR 32 3HG2 THR 32 -5.105 4.776 -5.085 215 HG22 THR 32 1HG2 THR 32 -6.619 3.877 -5.189 216 HG23 THR 32 2HG2 THR 32 -5.153 3.074 -4.625 217 H HIS 33 H HIS 33 -4.710 5.427 -0.652 218 HA HIS 33 HA HIS 33 -7.023 6.067 0.905 219 HB2 HIS 33 1HB HIS 33 -4.178 5.697 1.861 220 HB3 HIS 33 2HB HIS 33 -5.644 5.577 2.831 221 HD1 HIS 33 HD1 HIS 33 -7.358 3.595 1.759 222 HD2 HIS 33 HD2 HIS 33 -3.260 3.264 1.162 223 HE1 HIS 33 HE1 HIS 33 -6.951 1.174 1.215 224 H ALA 34 H ALA 34 -3.991 7.696 0.131 225 HA ALA 34 HA ALA 34 -4.097 9.819 1.906 226 HB1 ALA 34 3HB ALA 34 -3.153 10.060 -0.942 227 HB2 ALA 34 1HB ALA 34 -2.597 10.962 0.468 228 HB3 ALA 34 2HB ALA 34 -2.229 9.243 0.319 229 H GLU 35 H GLU 35 -5.849 9.321 -1.093 230 HA GLU 35 HA GLU 35 -6.835 11.975 -1.339 231 HB2 GLU 35 1HB GLU 35 -6.730 10.130 -3.129 232 HB3 GLU 35 2HB GLU 35 -8.220 9.530 -2.415 233 HG2 GLU 35 1HG GLU 35 -8.980 12.030 -2.743 234 HG3 GLU 35 2HG GLU 35 -7.724 12.003 -3.979 235 H GLU 36 H GLU 36 -8.125 9.013 0.106 236 HA GLU 36 HA GLU 36 -10.539 10.384 0.963 237 HB2 GLU 36 1HB GLU 36 -11.313 8.252 1.709 238 HB3 GLU 36 2HB GLU 36 -10.548 8.010 0.145 239 HG2 GLU 36 1HG GLU 36 -8.462 7.356 1.438 240 HG3 GLU 36 2HG GLU 36 -9.503 7.284 2.860 241 H LYS 37 H LYS 37 -8.148 11.448 2.019 242 HA LYS 37 HA LYS 37 -7.216 10.633 4.430 243 HB2 LYS 37 1HB LYS 37 -6.838 12.965 5.001 244 HB3 LYS 37 2HB LYS 37 -6.508 12.703 3.293 245 HG2 LYS 37 1HG LYS 37 -9.164 13.723 4.237 246 HG3 LYS 37 2HG LYS 37 -7.796 14.804 3.958 247 HD2 LYS 37 1HD LYS 37 -7.678 13.572 1.652 248 HD3 LYS 37 2HD LYS 37 -9.361 13.173 2.005 249 HE2 LYS 37 1HE LYS 37 -8.233 15.968 2.035 250 HE3 LYS 37 2HE LYS 37 -9.057 15.248 0.654 251 HZ1 LYS 37 3HZ LYS 37 -11.071 15.310 1.704 252 HZ2 LYS 37 1HZ LYS 37 -10.357 16.693 2.368 253 HZ3 LYS 37 2HZ LYS 37 -10.407 15.257 3.259 254 HA PRO 38 HA PRO 38 -10.633 10.379 7.201 255 HB2 PRO 38 1HB PRO 38 -9.270 10.511 9.545 256 HB3 PRO 38 2HB PRO 38 -9.272 9.075 8.514 257 HG2 PRO 38 1HG PRO 38 -7.211 11.233 8.751 258 HG3 PRO 38 2HG PRO 38 -6.986 9.478 8.643 259 HD2 PRO 38 1HD PRO 38 -6.661 11.121 6.516 260 HD3 PRO 38 2HD PRO 38 -7.257 9.457 6.354 261 H SER 39 H SER 39 -11.697 11.577 8.931 262 HA SER 39 HA SER 39 -10.860 14.394 9.102 263 HB2 SER 39 1HB SER 39 -13.159 15.125 8.865 264 HB3 SER 39 2HB SER 39 -12.741 14.110 7.485 265 HG SER 39 HG SER 39 -13.668 12.420 9.158 266 H GLY 40 H GLY 40 -10.804 15.206 11.104 267 HA2 GLY 40 1HA GLY 40 -11.994 15.430 13.261 268 HA3 GLY 40 2HA GLY 40 -12.173 13.682 13.236 269 HA PRO 41 HA PRO 41 -8.133 15.199 15.324 270 HB2 PRO 41 1HB PRO 41 -8.929 15.214 17.920 271 HB3 PRO 41 2HB PRO 41 -9.015 16.641 16.880 272 HG2 PRO 41 1HG PRO 41 -11.178 14.713 17.634 273 HG3 PRO 41 2HG PRO 41 -11.240 16.483 17.537 274 HD2 PRO 41 1HD PRO 41 -12.211 14.881 15.581 275 HD3 PRO 41 2HD PRO 41 -11.501 16.473 15.246 276 H SER 42 H SER 42 -10.568 12.792 15.937 277 HA SER 42 HA SER 42 -8.874 11.074 17.499 278 HB2 SER 42 1HB SER 42 -11.430 11.167 17.580 279 HB3 SER 42 2HB SER 42 -11.403 10.246 16.076 280 HG SER 42 HG SER 42 -10.032 8.722 17.292 281 H SER 43 H SER 43 -7.350 9.778 16.740 282 HA SER 43 HA SER 43 -6.410 9.565 14.228 283 HB2 SER 43 1HB SER 43 -5.460 7.360 14.838 284 HB3 SER 43 2HB SER 43 -5.276 8.542 16.133 285 HG SER 43 HG SER 43 -7.314 7.582 16.962 286 H GLY 44 H GLY 44 -8.985 7.541 15.594 287 HA2 GLY 44 1HA GLY 44 -9.387 5.754 13.542 288 HA3 GLY 44 2HA GLY 44 -10.678 6.382 14.556 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.872 -28.730 3.440 2 HA2 GLY 1 1HA GLY 1 1.868 -27.131 2.932 3 HA3 GLY 1 2HA GLY 1 2.464 -26.336 4.381 4 H SER 2 H SER 2 3.446 -27.390 1.142 5 HA SER 2 HA SER 2 5.626 -25.445 1.162 6 HB2 SER 2 1HB SER 2 4.927 -27.815 -0.517 7 HB3 SER 2 2HB SER 2 5.913 -26.542 -1.237 8 HG SER 2 HG SER 2 7.264 -26.792 0.712 9 H SER 3 H SER 3 5.344 -23.474 0.382 10 HA SER 3 HA SER 3 3.937 -22.961 -2.046 11 HB2 SER 3 1HB SER 3 2.074 -21.742 -1.261 12 HB3 SER 3 2HB SER 3 2.102 -23.192 -0.259 13 HG SER 3 HG SER 3 2.692 -22.032 1.441 14 H GLY 4 H GLY 4 4.601 -21.079 -2.960 15 HA2 GLY 4 1HA GLY 4 5.426 -18.767 -1.631 16 HA3 GLY 4 2HA GLY 4 6.854 -19.760 -1.880 17 H SER 5 H SER 5 5.801 -20.870 -4.398 18 HA SER 5 HA SER 5 6.677 -18.701 -6.113 19 HB2 SER 5 1HB SER 5 6.038 -21.603 -6.678 20 HB3 SER 5 2HB SER 5 6.579 -20.459 -7.906 21 HG SER 5 HG SER 5 8.454 -21.247 -7.255 22 H SER 6 H SER 6 4.265 -18.070 -4.983 23 HA SER 6 HA SER 6 2.478 -18.164 -7.316 24 HB2 SER 6 1HB SER 6 1.866 -19.665 -5.226 25 HB3 SER 6 2HB SER 6 1.285 -18.134 -4.573 26 HG SER 6 HG SER 6 -0.186 -19.560 -5.921 27 H GLY 7 H GLY 7 3.398 -16.074 -7.787 28 HA2 GLY 7 1HA GLY 7 3.107 -13.789 -7.900 29 HA3 GLY 7 2HA GLY 7 1.829 -13.944 -6.704 30 H GLU 8 H GLU 8 5.317 -13.693 -7.143 31 HA GLU 8 HA GLU 8 5.942 -13.452 -4.384 32 HB2 GLU 8 1HB GLU 8 7.677 -14.106 -5.899 33 HB3 GLU 8 2HB GLU 8 7.446 -12.665 -6.878 34 HG2 GLU 8 1HG GLU 8 9.463 -12.614 -5.434 35 HG3 GLU 8 2HG GLU 8 8.354 -11.269 -5.180 36 H LYS 9 H LYS 9 5.057 -11.881 -3.197 37 HA LYS 9 HA LYS 9 5.392 -9.113 -4.122 38 HB2 LYS 9 1HB LYS 9 2.915 -10.131 -2.721 39 HB3 LYS 9 2HB LYS 9 3.193 -8.501 -3.322 40 HG2 LYS 9 1HG LYS 9 3.079 -10.940 -5.080 41 HG3 LYS 9 2HG LYS 9 1.698 -9.894 -4.743 42 HD2 LYS 9 1HD LYS 9 3.105 -7.977 -5.605 43 HD3 LYS 9 2HD LYS 9 4.253 -9.191 -6.173 44 HE2 LYS 9 1HE LYS 9 1.364 -9.401 -6.911 45 HE3 LYS 9 2HE LYS 9 2.412 -8.281 -7.779 46 HZ1 LYS 9 3HZ LYS 9 2.181 -11.071 -8.087 47 HZ2 LYS 9 1HZ LYS 9 3.763 -10.702 -7.617 48 HZ3 LYS 9 2HZ LYS 9 3.100 -9.980 -8.995 49 HA PRO 10 HA PRO 10 7.178 -9.659 0.094 50 HB2 PRO 10 1HB PRO 10 9.316 -8.052 -0.372 51 HB3 PRO 10 2HB PRO 10 9.294 -9.769 -0.794 52 HG2 PRO 10 1HG PRO 10 8.827 -7.382 -2.540 53 HG3 PRO 10 2HG PRO 10 9.771 -8.845 -2.875 54 HD2 PRO 10 1HD PRO 10 7.264 -8.479 -3.830 55 HD3 PRO 10 2HD PRO 10 7.901 -10.082 -3.409 56 H PHE 11 H PHE 11 5.695 -7.238 -1.635 57 HA PHE 11 HA PHE 11 5.838 -5.394 0.657 58 HB2 PHE 11 1HB PHE 11 5.394 -4.506 -2.191 59 HB3 PHE 11 2HB PHE 11 5.772 -3.509 -0.790 60 HD1 PHE 11 HD2 PHE 11 8.049 -4.536 0.436 61 HD2 PHE 11 HD1 PHE 11 7.094 -4.582 -3.712 62 HE1 PHE 11 HE2 PHE 11 10.444 -4.678 -0.110 63 HE2 PHE 11 HE1 PHE 11 9.488 -4.725 -4.265 64 HZ PHE 11 HZ PHE 11 11.166 -4.772 -2.463 65 H GLY 12 H GLY 12 3.964 -5.915 1.676 66 HA2 GLY 12 1HA GLY 12 1.491 -5.785 0.065 67 HA3 GLY 12 2HA GLY 12 1.670 -6.774 1.506 68 H CYS 13 H CYS 13 0.218 -4.101 0.408 69 HA CYS 13 HA CYS 13 0.682 -2.019 2.124 70 HB2 CYS 13 1HB CYS 13 -0.957 -2.028 0.238 71 HB3 CYS 13 2HB CYS 13 -2.062 -2.947 1.254 72 H SER 14 H SER 14 -0.618 -1.276 3.999 73 HA SER 14 HA SER 14 -1.010 -3.505 5.874 74 HB2 SER 14 1HB SER 14 -0.687 -1.814 7.652 75 HB3 SER 14 2HB SER 14 0.692 -1.888 6.555 76 HG SER 14 HG SER 14 -0.173 -0.048 5.490 77 H CYS 15 H CYS 15 -2.515 -0.611 4.570 78 HA CYS 15 HA CYS 15 -4.812 -0.707 6.263 79 HB2 CYS 15 1HB CYS 15 -3.882 1.309 4.958 80 HB3 CYS 15 2HB CYS 15 -4.715 0.628 3.565 81 HG CYS 15 HG CYS 15 -5.921 2.440 6.045 82 H CYS 16 H CYS 16 -4.131 -1.754 2.946 83 HA CYS 16 HA CYS 16 -6.716 -3.158 2.915 84 HB2 CYS 16 1HB CYS 16 -6.543 -3.170 0.489 85 HB3 CYS 16 2HB CYS 16 -6.356 -1.526 1.091 86 H GLU 17 H GLU 17 -6.414 -5.091 1.137 87 HA GLU 17 HA GLU 17 -4.310 -6.787 2.299 88 HB2 GLU 17 1HB GLU 17 -5.710 -8.697 1.607 89 HB3 GLU 17 2HB GLU 17 -6.552 -7.619 2.711 90 HG2 GLU 17 1HG GLU 17 -8.201 -7.919 1.197 91 HG3 GLU 17 2HG GLU 17 -7.389 -6.554 0.434 92 H LYS 18 H LYS 18 -3.977 -4.897 0.064 93 HA LYS 18 HA LYS 18 -3.590 -6.662 -2.231 94 HB2 LYS 18 1HB LYS 18 -3.338 -3.671 -1.896 95 HB3 LYS 18 2HB LYS 18 -2.924 -4.515 -3.382 96 HG2 LYS 18 1HG LYS 18 -5.128 -5.071 -3.833 97 HG3 LYS 18 2HG LYS 18 -5.633 -4.838 -2.158 98 HD2 LYS 18 1HD LYS 18 -5.672 -2.528 -2.357 99 HD3 LYS 18 2HD LYS 18 -4.579 -2.529 -3.743 100 HE2 LYS 18 1HE LYS 18 -6.451 -3.720 -5.001 101 HE3 LYS 18 2HE LYS 18 -7.493 -3.259 -3.657 102 HZ1 LYS 18 3HZ LYS 18 -5.878 -1.272 -5.138 103 HZ2 LYS 18 1HZ LYS 18 -7.203 -0.999 -4.122 104 HZ3 LYS 18 2HZ LYS 18 -7.433 -1.713 -5.638 105 H ALA 19 H ALA 19 -1.503 -6.361 -3.469 106 HA ALA 19 HA ALA 19 0.818 -5.694 -1.864 107 HB1 ALA 19 3HB ALA 19 1.860 -7.834 -1.956 108 HB2 ALA 19 1HB ALA 19 0.245 -8.061 -1.283 109 HB3 ALA 19 2HB ALA 19 0.569 -8.486 -2.965 110 H PHE 20 H PHE 20 2.712 -5.409 -3.084 111 HA PHE 20 HA PHE 20 2.400 -5.614 -6.001 112 HB2 PHE 20 1HB PHE 20 3.664 -3.268 -4.572 113 HB3 PHE 20 2HB PHE 20 3.420 -3.439 -6.307 114 HD1 PHE 20 HD2 PHE 20 1.631 -3.127 -3.079 115 HD2 PHE 20 HD1 PHE 20 1.432 -2.739 -7.313 116 HE1 PHE 20 HE2 PHE 20 -0.562 -2.031 -2.872 117 HE2 PHE 20 HE1 PHE 20 -0.761 -1.641 -7.113 118 HZ PHE 20 HZ PHE 20 -1.761 -1.287 -4.890 119 H SER 21 H SER 21 4.255 -6.075 -7.165 120 HA SER 21 HA SER 21 6.381 -7.305 -5.628 121 HB2 SER 21 1HB SER 21 5.378 -8.406 -7.642 122 HB3 SER 21 2HB SER 21 6.084 -7.131 -8.635 123 HG SER 21 HG SER 21 7.335 -9.143 -8.394 124 H SER 22 H SER 22 6.155 -4.420 -5.533 125 HA SER 22 HA SER 22 8.882 -3.746 -5.925 126 HB2 SER 22 1HB SER 22 7.815 -3.615 -8.289 127 HB3 SER 22 2HB SER 22 7.050 -2.143 -7.692 128 HG SER 22 HG SER 22 9.785 -2.411 -7.262 129 H LYS 23 H LYS 23 9.356 -2.347 -4.373 130 HA LYS 23 HA LYS 23 7.582 -1.294 -2.564 131 HB2 LYS 23 1HB LYS 23 10.372 -0.629 -3.351 132 HB3 LYS 23 2HB LYS 23 9.521 0.533 -2.342 133 HG2 LYS 23 1HG LYS 23 9.467 -2.322 -1.529 134 HG3 LYS 23 2HG LYS 23 10.966 -1.416 -1.310 135 HD2 LYS 23 1HD LYS 23 9.943 -0.991 0.694 136 HD3 LYS 23 2HD LYS 23 9.335 0.367 -0.255 137 HE2 LYS 23 1HE LYS 23 7.238 -0.637 -0.552 138 HE3 LYS 23 2HE LYS 23 7.836 -2.228 -0.083 139 HZ1 LYS 23 3HZ LYS 23 7.114 0.058 1.612 140 HZ2 LYS 23 1HZ LYS 23 8.294 -1.023 2.161 141 HZ3 LYS 23 2HZ LYS 23 6.739 -1.581 1.801 142 H SER 24 H SER 24 8.735 0.149 -5.568 143 HA SER 24 HA SER 24 7.638 2.712 -5.205 144 HB2 SER 24 1HB SER 24 8.159 3.105 -7.452 145 HB3 SER 24 2HB SER 24 9.307 1.845 -7.002 146 HG SER 24 HG SER 24 8.441 1.089 -8.835 147 H TYR 25 H TYR 25 6.331 -0.183 -6.790 148 HA TYR 25 HA TYR 25 3.931 0.916 -7.694 149 HB2 TYR 25 1HB TYR 25 4.889 -1.834 -7.074 150 HB3 TYR 25 2HB TYR 25 3.155 -1.601 -7.265 151 HD1 TYR 25 HD1 TYR 25 2.929 0.329 -9.404 152 HD2 TYR 25 HD2 TYR 25 5.679 -2.889 -8.976 153 HE1 TYR 25 HE1 TYR 25 3.181 0.227 -11.848 154 HE2 TYR 25 HE2 TYR 25 5.939 -3.000 -11.419 155 HH TYR 25 HH TYR 25 3.861 -1.608 -13.553 156 H LEU 26 H LEU 26 4.681 -0.689 -4.617 157 HA LEU 26 HA LEU 26 2.110 -0.601 -3.516 158 HB2 LEU 26 1HB LEU 26 3.722 -1.976 -2.478 159 HB3 LEU 26 2HB LEU 26 4.848 -0.634 -2.281 160 HG LEU 26 HG LEU 26 3.335 0.345 -0.592 161 HD11 LEU 26 1HD1 LEU 26 1.591 -1.767 -1.557 162 HD12 LEU 26 2HD1 LEU 26 1.207 -0.309 -0.644 163 HD13 LEU 26 3HD1 LEU 26 1.745 -1.761 0.200 164 HD21 LEU 26 3HD2 LEU 26 3.720 -2.378 0.447 165 HD22 LEU 26 1HD2 LEU 26 4.317 -0.833 1.053 166 HD23 LEU 26 2HD2 LEU 26 5.148 -1.638 -0.278 167 H LEU 27 H LEU 27 4.812 1.690 -3.189 168 HA LEU 27 HA LEU 27 3.610 3.516 -1.481 169 HB2 LEU 27 1HB LEU 27 5.599 3.936 -3.701 170 HB3 LEU 27 2HB LEU 27 5.134 5.199 -2.562 171 HG LEU 27 HG LEU 27 6.356 2.587 -1.696 172 HD11 LEU 27 1HD1 LEU 27 8.466 3.392 -1.935 173 HD12 LEU 27 2HD1 LEU 27 7.965 5.075 -1.778 174 HD13 LEU 27 3HD1 LEU 27 7.707 4.217 -3.297 175 HD21 LEU 27 3HD2 LEU 27 6.290 5.248 -0.294 176 HD22 LEU 27 1HD2 LEU 27 6.730 3.676 0.372 177 HD23 LEU 27 2HD2 LEU 27 5.055 4.008 -0.069 178 H VAL 28 H VAL 28 3.800 3.760 -5.038 179 HA VAL 28 HA VAL 28 2.189 5.968 -5.391 180 HB VAL 28 HB VAL 28 2.350 3.552 -7.198 181 HG11 VAL 28 1HG1 VAL 28 0.653 5.759 -7.360 182 HG12 VAL 28 2HG1 VAL 28 1.952 6.089 -8.509 183 HG13 VAL 28 3HG1 VAL 28 1.017 4.599 -8.638 184 HG21 VAL 28 3HG2 VAL 28 3.875 6.091 -7.597 185 HG22 VAL 28 1HG2 VAL 28 4.485 4.862 -6.489 186 HG23 VAL 28 2HG2 VAL 28 4.227 4.468 -8.188 187 H HIS 29 H HIS 29 1.262 2.638 -4.800 188 HA HIS 29 HA HIS 29 -1.478 2.892 -5.445 189 HB2 HIS 29 1HB HIS 29 -0.859 0.679 -5.312 190 HB3 HIS 29 2HB HIS 29 0.176 0.941 -3.911 191 HD1 HIS 29 HD1 HIS 29 -3.525 0.780 -4.750 192 HD2 HIS 29 HD2 HIS 29 -0.940 0.189 -1.552 193 HE1 HIS 29 HE1 HIS 29 -4.951 -0.137 -2.893 194 H GLN 30 H GLN 30 0.286 3.193 -2.381 195 HA GLN 30 HA GLN 30 -1.790 3.502 -0.615 196 HB2 GLN 30 1HB GLN 30 0.989 4.552 -0.739 197 HB3 GLN 30 2HB GLN 30 -0.093 5.271 0.446 198 HG2 GLN 30 1HG GLN 30 -0.220 3.375 1.695 199 HG3 GLN 30 2HG GLN 30 0.042 2.313 0.313 200 HE21 GLN 30 1HE2 GLN 30 1.947 1.376 0.184 201 HE22 GLN 30 2HE2 GLN 30 3.398 1.907 0.956 202 H GLN 31 H GLN 31 -0.887 5.589 -3.177 203 HA GLN 31 HA GLN 31 -1.722 8.080 -2.309 204 HB2 GLN 31 1HB GLN 31 -1.844 6.780 -5.023 205 HB3 GLN 31 2HB GLN 31 -2.338 8.447 -4.764 206 HG2 GLN 31 1HG GLN 31 -0.093 8.957 -3.903 207 HG3 GLN 31 2HG GLN 31 0.392 7.296 -4.238 208 HE21 GLN 31 1HE2 GLN 31 1.961 8.919 -5.412 209 HE22 GLN 31 2HE2 GLN 31 1.603 9.157 -7.085 210 H THR 32 H THR 32 -3.628 5.339 -3.390 211 HA THR 32 HA THR 32 -6.100 6.695 -3.639 212 HB THR 32 HB THR 32 -5.688 4.473 -4.637 213 HG1 THR 32 HG1 THR 32 -7.790 4.340 -4.556 214 HG21 THR 32 3HG2 THR 32 -4.707 2.922 -3.362 215 HG22 THR 32 1HG2 THR 32 -6.269 2.702 -2.575 216 HG23 THR 32 2HG2 THR 32 -5.080 3.805 -1.881 217 H HIS 33 H HIS 33 -4.289 5.653 -0.921 218 HA HIS 33 HA HIS 33 -6.586 5.614 0.863 219 HB2 HIS 33 1HB HIS 33 -3.652 5.058 1.206 220 HB3 HIS 33 2HB HIS 33 -4.696 5.281 2.606 221 HD1 HIS 33 HD1 HIS 33 -6.995 3.632 2.360 222 HD2 HIS 33 HD2 HIS 33 -3.444 2.455 0.552 223 HE1 HIS 33 HE1 HIS 33 -7.214 1.153 1.999 224 H ALA 34 H ALA 34 -4.306 7.846 -0.321 225 HA ALA 34 HA ALA 34 -4.211 9.594 1.934 226 HB1 ALA 34 3HB ALA 34 -3.698 11.061 -0.423 227 HB2 ALA 34 1HB ALA 34 -2.537 10.429 0.745 228 HB3 ALA 34 2HB ALA 34 -3.009 9.453 -0.647 229 H GLU 35 H GLU 35 -6.351 9.191 -0.787 230 HA GLU 35 HA GLU 35 -7.782 11.654 -0.081 231 HB2 GLU 35 1HB GLU 35 -9.083 10.938 -2.257 232 HB3 GLU 35 2HB GLU 35 -7.525 11.745 -2.363 233 HG2 GLU 35 1HG GLU 35 -6.403 9.749 -2.879 234 HG3 GLU 35 2HG GLU 35 -7.774 8.757 -2.385 235 H GLU 36 H GLU 36 -8.100 8.176 -0.232 236 HA GLU 36 HA GLU 36 -10.888 7.993 0.106 237 HB2 GLU 36 1HB GLU 36 -9.587 6.075 -0.600 238 HB3 GLU 36 2HB GLU 36 -8.686 6.087 0.910 239 HG2 GLU 36 1HG GLU 36 -10.592 5.409 2.151 240 HG3 GLU 36 2HG GLU 36 -11.656 5.657 0.768 241 H LYS 37 H LYS 37 -8.546 9.176 2.184 242 HA LYS 37 HA LYS 37 -10.062 8.496 4.600 243 HB2 LYS 37 1HB LYS 37 -7.263 9.343 4.053 244 HB3 LYS 37 2HB LYS 37 -7.972 9.843 5.583 245 HG2 LYS 37 1HG LYS 37 -8.181 7.669 6.346 246 HG3 LYS 37 2HG LYS 37 -8.111 6.985 4.720 247 HD2 LYS 37 1HD LYS 37 -6.030 6.479 5.693 248 HD3 LYS 37 2HD LYS 37 -5.719 7.853 4.630 249 HE2 LYS 37 1HE LYS 37 -4.605 8.465 6.561 250 HE3 LYS 37 2HE LYS 37 -6.160 9.271 6.758 251 HZ1 LYS 37 3HZ LYS 37 -5.387 8.100 8.773 252 HZ2 LYS 37 1HZ LYS 37 -5.488 6.631 7.939 253 HZ3 LYS 37 2HZ LYS 37 -6.885 7.542 8.220 254 HA PRO 38 HA PRO 38 -11.944 12.476 4.740 255 HB2 PRO 38 1HB PRO 38 -12.527 12.567 7.390 256 HB3 PRO 38 2HB PRO 38 -13.417 11.557 6.244 257 HG2 PRO 38 1HG PRO 38 -11.221 10.797 8.131 258 HG3 PRO 38 2HG PRO 38 -12.727 9.937 7.763 259 HD2 PRO 38 1HD PRO 38 -10.346 9.237 6.678 260 HD3 PRO 38 2HD PRO 38 -11.885 9.039 5.814 261 H SER 39 H SER 39 -11.769 14.575 5.887 262 HA SER 39 HA SER 39 -9.370 15.054 7.428 263 HB2 SER 39 1HB SER 39 -9.672 15.988 4.586 264 HB3 SER 39 2HB SER 39 -8.722 16.924 5.740 265 HG SER 39 HG SER 39 -7.236 15.576 5.006 266 H GLY 40 H GLY 40 -9.675 16.680 8.829 267 HA2 GLY 40 1HA GLY 40 -11.443 18.886 8.223 268 HA3 GLY 40 2HA GLY 40 -12.056 17.794 9.456 269 HA PRO 41 HA PRO 41 -9.897 20.213 12.425 270 HB2 PRO 41 1HB PRO 41 -9.837 18.420 14.462 271 HB3 PRO 41 2HB PRO 41 -11.305 19.281 13.983 272 HG2 PRO 41 1HG PRO 41 -10.432 16.500 13.301 273 HG3 PRO 41 2HG PRO 41 -12.037 17.084 13.776 274 HD2 PRO 41 1HD PRO 41 -11.370 16.591 11.198 275 HD3 PRO 41 2HD PRO 41 -12.518 17.864 11.661 276 H SER 42 H SER 42 -8.588 17.640 10.804 277 HA SER 42 HA SER 42 -6.477 16.842 10.521 278 HB2 SER 42 1HB SER 42 -6.027 19.516 11.758 279 HB3 SER 42 2HB SER 42 -4.655 18.413 11.672 280 HG SER 42 HG SER 42 -6.163 19.542 9.581 281 H SER 43 H SER 43 -7.917 15.669 12.544 282 HA SER 43 HA SER 43 -5.992 15.332 14.739 283 HB2 SER 43 1HB SER 43 -8.921 14.582 14.576 284 HB3 SER 43 2HB SER 43 -7.878 14.278 15.965 285 HG SER 43 HG SER 43 -8.757 16.179 16.463 286 H GLY 44 H GLY 44 -4.633 13.694 14.455 287 HA2 GLY 44 1HA GLY 44 -4.381 11.279 14.531 288 HA3 GLY 44 2HA GLY 44 -5.721 11.162 13.401 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -5.568 -18.719 -11.490 2 HA2 GLY 1 1HA GLY 1 -7.809 -19.355 -11.485 3 HA3 GLY 1 2HA GLY 1 -7.329 -20.958 -12.023 4 H SER 2 H SER 2 -6.472 -22.442 -10.434 5 HA SER 2 HA SER 2 -8.011 -22.535 -8.092 6 HB2 SER 2 1HB SER 2 -6.914 -24.485 -9.303 7 HB3 SER 2 2HB SER 2 -5.412 -24.019 -8.505 8 HG SER 2 HG SER 2 -6.511 -24.295 -6.499 9 H SER 3 H SER 3 -7.513 -22.201 -5.932 10 HA SER 3 HA SER 3 -5.354 -20.283 -5.474 11 HB2 SER 3 1HB SER 3 -7.839 -21.015 -3.936 12 HB3 SER 3 2HB SER 3 -6.551 -20.060 -3.201 13 HG SER 3 HG SER 3 -7.550 -18.452 -4.116 14 H GLY 4 H GLY 4 -3.620 -20.684 -4.215 15 HA2 GLY 4 1HA GLY 4 -3.478 -22.600 -2.165 16 HA3 GLY 4 2HA GLY 4 -2.859 -23.325 -3.642 17 H SER 5 H SER 5 -1.147 -22.043 -4.787 18 HA SER 5 HA SER 5 0.906 -21.377 -2.896 19 HB2 SER 5 1HB SER 5 0.870 -21.303 -5.922 20 HB3 SER 5 2HB SER 5 2.303 -21.015 -4.935 21 HG SER 5 HG SER 5 0.921 -23.386 -5.432 22 H SER 6 H SER 6 1.656 -19.419 -2.314 23 HA SER 6 HA SER 6 0.061 -17.120 -2.798 24 HB2 SER 6 1HB SER 6 1.522 -15.976 -1.325 25 HB3 SER 6 2HB SER 6 1.474 -17.634 -0.725 26 HG SER 6 HG SER 6 3.551 -17.632 -0.964 27 H GLY 7 H GLY 7 1.226 -14.984 -3.424 28 HA2 GLY 7 1HA GLY 7 2.483 -15.476 -6.037 29 HA3 GLY 7 2HA GLY 7 1.637 -14.009 -5.569 30 H GLU 8 H GLU 8 3.939 -13.561 -6.740 31 HA GLU 8 HA GLU 8 6.084 -13.424 -4.785 32 HB2 GLU 8 1HB GLU 8 5.909 -12.636 -7.693 33 HB3 GLU 8 2HB GLU 8 7.337 -12.355 -6.706 34 HG2 GLU 8 1HG GLU 8 7.900 -14.332 -7.679 35 HG3 GLU 8 2HG GLU 8 7.114 -14.922 -6.216 36 H LYS 9 H LYS 9 4.276 -11.992 -3.635 37 HA LYS 9 HA LYS 9 4.828 -9.181 -4.328 38 HB2 LYS 9 1HB LYS 9 2.505 -10.094 -2.649 39 HB3 LYS 9 2HB LYS 9 2.713 -8.563 -3.490 40 HG2 LYS 9 1HG LYS 9 2.625 -11.046 -5.114 41 HG3 LYS 9 2HG LYS 9 1.120 -10.452 -4.408 42 HD2 LYS 9 1HD LYS 9 1.086 -9.322 -6.395 43 HD3 LYS 9 2HD LYS 9 1.976 -8.158 -5.410 44 HE2 LYS 9 1HE LYS 9 4.067 -8.907 -6.297 45 HE3 LYS 9 2HE LYS 9 3.293 -10.262 -7.118 46 HZ1 LYS 9 3HZ LYS 9 3.623 -8.672 -8.770 47 HZ2 LYS 9 1HZ LYS 9 3.141 -7.387 -7.782 48 HZ3 LYS 9 2HZ LYS 9 1.992 -8.486 -8.359 49 HA PRO 10 HA PRO 10 6.941 -10.006 -0.294 50 HB2 PRO 10 1HB PRO 10 9.150 -8.547 -0.900 51 HB3 PRO 10 2HB PRO 10 8.967 -10.247 -1.351 52 HG2 PRO 10 1HG PRO 10 8.543 -7.791 -3.009 53 HG3 PRO 10 2HG PRO 10 9.347 -9.310 -3.445 54 HD2 PRO 10 1HD PRO 10 6.807 -8.740 -4.190 55 HD3 PRO 10 2HD PRO 10 7.354 -10.394 -3.851 56 H PHE 11 H PHE 11 5.443 -7.482 -1.804 57 HA PHE 11 HA PHE 11 5.949 -5.684 0.473 58 HB2 PHE 11 1HB PHE 11 5.627 -4.998 -2.446 59 HB3 PHE 11 2HB PHE 11 5.422 -3.803 -1.169 60 HD1 PHE 11 HD2 PHE 11 7.323 -3.083 0.176 61 HD2 PHE 11 HD1 PHE 11 7.792 -5.839 -3.033 62 HE1 PHE 11 HE2 PHE 11 9.751 -2.688 0.196 63 HE2 PHE 11 HE1 PHE 11 10.221 -5.448 -3.018 64 HZ PHE 11 HZ PHE 11 11.204 -3.870 -1.403 65 H GLY 12 H GLY 12 4.174 -5.988 1.698 66 HA2 GLY 12 1HA GLY 12 1.547 -5.900 0.358 67 HA3 GLY 12 2HA GLY 12 1.855 -6.665 1.910 68 H CYS 13 H CYS 13 0.120 -4.332 0.793 69 HA CYS 13 HA CYS 13 0.924 -1.971 2.087 70 HB2 CYS 13 1HB CYS 13 -0.881 -2.254 0.305 71 HB3 CYS 13 2HB CYS 13 -1.944 -2.774 1.609 72 H SER 14 H SER 14 -0.286 -0.936 3.910 73 HA SER 14 HA SER 14 -0.629 -2.895 6.075 74 HB2 SER 14 1HB SER 14 1.138 -0.964 6.132 75 HB3 SER 14 2HB SER 14 -0.248 0.043 6.553 76 HG SER 14 HG SER 14 1.151 -1.364 8.199 77 H CYS 15 H CYS 15 -2.083 -0.092 4.526 78 HA CYS 15 HA CYS 15 -4.284 0.105 6.332 79 HB2 CYS 15 1HB CYS 15 -3.750 1.242 3.591 80 HB3 CYS 15 2HB CYS 15 -5.264 1.524 4.442 81 HG CYS 15 HG CYS 15 -3.959 3.821 4.920 82 H CYS 16 H CYS 16 -3.779 -1.419 3.186 83 HA CYS 16 HA CYS 16 -6.403 -2.729 3.478 84 HB2 CYS 16 1HB CYS 16 -6.507 -2.899 1.055 85 HB3 CYS 16 2HB CYS 16 -6.260 -1.219 1.521 86 H GLU 17 H GLU 17 -6.293 -4.777 1.816 87 HA GLU 17 HA GLU 17 -4.092 -6.408 2.877 88 HB2 GLU 17 1HB GLU 17 -5.499 -8.334 2.522 89 HB3 GLU 17 2HB GLU 17 -6.412 -7.121 3.408 90 HG2 GLU 17 1HG GLU 17 -7.333 -6.416 1.130 91 HG3 GLU 17 2HG GLU 17 -6.690 -7.949 0.545 92 H LYS 18 H LYS 18 -3.888 -4.628 0.548 93 HA LYS 18 HA LYS 18 -3.736 -6.431 -1.726 94 HB2 LYS 18 1HB LYS 18 -3.119 -3.487 -1.435 95 HB3 LYS 18 2HB LYS 18 -2.966 -4.380 -2.942 96 HG2 LYS 18 1HG LYS 18 -5.438 -4.996 -2.580 97 HG3 LYS 18 2HG LYS 18 -5.441 -3.663 -1.423 98 HD2 LYS 18 1HD LYS 18 -6.130 -2.661 -3.411 99 HD3 LYS 18 2HD LYS 18 -4.407 -2.284 -3.338 100 HE2 LYS 18 1HE LYS 18 -4.767 -2.983 -5.544 101 HE3 LYS 18 2HE LYS 18 -4.066 -4.388 -4.743 102 HZ1 LYS 18 3HZ LYS 18 -6.928 -4.329 -4.591 103 HZ2 LYS 18 1HZ LYS 18 -5.900 -5.574 -5.097 104 HZ3 LYS 18 2HZ LYS 18 -6.367 -4.367 -6.186 105 H ALA 19 H ALA 19 -1.725 -6.442 -3.057 106 HA ALA 19 HA ALA 19 0.751 -5.976 -1.608 107 HB1 ALA 19 3HB ALA 19 0.607 -8.684 -2.759 108 HB2 ALA 19 1HB ALA 19 1.401 -8.112 -1.292 109 HB3 ALA 19 2HB ALA 19 -0.336 -8.417 -1.294 110 H PHE 20 H PHE 20 2.555 -5.794 -2.933 111 HA PHE 20 HA PHE 20 2.064 -6.025 -5.826 112 HB2 PHE 20 1HB PHE 20 3.633 -3.808 -4.496 113 HB3 PHE 20 2HB PHE 20 3.281 -3.964 -6.214 114 HD1 PHE 20 HD2 PHE 20 1.403 -3.913 -2.986 115 HD2 PHE 20 HD1 PHE 20 1.624 -2.620 -7.036 116 HE1 PHE 20 HE2 PHE 20 -0.658 -2.605 -2.678 117 HE2 PHE 20 HE1 PHE 20 -0.436 -1.309 -6.733 118 HZ PHE 20 HZ PHE 20 -1.580 -1.301 -4.553 119 H SER 21 H SER 21 4.286 -5.760 -7.019 120 HA SER 21 HA SER 21 6.130 -7.645 -5.724 121 HB2 SER 21 1HB SER 21 6.974 -8.055 -8.039 122 HB3 SER 21 2HB SER 21 5.266 -8.446 -7.841 123 HG SER 21 HG SER 21 5.954 -5.872 -8.691 124 H SER 22 H SER 22 5.804 -4.399 -6.632 125 HA SER 22 HA SER 22 8.687 -3.975 -6.222 126 HB2 SER 22 1HB SER 22 7.943 -3.699 -8.644 127 HB3 SER 22 2HB SER 22 7.021 -2.297 -8.102 128 HG SER 22 HG SER 22 9.740 -2.607 -8.438 129 H LYS 23 H LYS 23 9.146 -2.602 -4.635 130 HA LYS 23 HA LYS 23 7.230 -1.509 -2.944 131 HB2 LYS 23 1HB LYS 23 9.632 -1.903 -2.380 132 HB3 LYS 23 2HB LYS 23 10.049 -0.489 -3.340 133 HG2 LYS 23 1HG LYS 23 8.680 0.904 -1.847 134 HG3 LYS 23 2HG LYS 23 8.332 -0.522 -0.866 135 HD2 LYS 23 1HD LYS 23 10.110 0.654 0.198 136 HD3 LYS 23 2HD LYS 23 10.807 -0.787 -0.545 137 HE2 LYS 23 1HE LYS 23 10.758 1.776 -2.074 138 HE3 LYS 23 2HE LYS 23 11.967 1.547 -0.811 139 HZ1 LYS 23 3HZ LYS 23 12.044 -0.770 -2.255 140 HZ2 LYS 23 1HZ LYS 23 13.153 0.505 -2.354 141 HZ3 LYS 23 2HZ LYS 23 11.855 0.427 -3.436 142 H SER 24 H SER 24 8.912 -0.072 -5.692 143 HA SER 24 HA SER 24 8.175 2.584 -5.372 144 HB2 SER 24 1HB SER 24 8.765 2.899 -7.626 145 HB3 SER 24 2HB SER 24 9.720 1.498 -7.140 146 HG SER 24 HG SER 24 7.232 1.416 -8.507 147 H TYR 25 H TYR 25 6.475 0.061 -7.228 148 HA TYR 25 HA TYR 25 4.284 1.606 -8.000 149 HB2 TYR 25 1HB TYR 25 4.825 -1.307 -7.736 150 HB3 TYR 25 2HB TYR 25 3.143 -0.809 -7.885 151 HD1 TYR 25 HD1 TYR 25 3.047 1.270 -9.786 152 HD2 TYR 25 HD2 TYR 25 5.649 -2.095 -9.735 153 HE1 TYR 25 HE1 TYR 25 3.310 1.444 -12.225 154 HE2 TYR 25 HE2 TYR 25 5.921 -1.930 -12.173 155 HH TYR 25 HH TYR 25 5.500 -0.708 -13.994 156 H LEU 26 H LEU 26 4.681 -0.503 -5.166 157 HA LEU 26 HA LEU 26 2.156 -0.228 -4.061 158 HB2 LEU 26 1HB LEU 26 3.532 -1.824 -3.076 159 HB3 LEU 26 2HB LEU 26 4.866 -0.689 -2.881 160 HG LEU 26 HG LEU 26 3.186 0.467 -1.204 161 HD11 LEU 26 1HD1 LEU 26 1.705 -1.769 -1.939 162 HD12 LEU 26 2HD1 LEU 26 1.399 -0.691 -0.577 163 HD13 LEU 26 3HD1 LEU 26 2.350 -2.157 -0.344 164 HD21 LEU 26 3HD2 LEU 26 4.639 -2.062 -0.446 165 HD22 LEU 26 1HD2 LEU 26 4.275 -0.680 0.588 166 HD23 LEU 26 2HD2 LEU 26 5.433 -0.513 -0.732 167 H LEU 27 H LEU 27 5.058 1.665 -3.204 168 HA LEU 27 HA LEU 27 4.054 3.440 -1.429 169 HB2 LEU 27 1HB LEU 27 5.995 3.860 -3.678 170 HB3 LEU 27 2HB LEU 27 5.600 5.155 -2.550 171 HG LEU 27 HG LEU 27 6.799 2.497 -1.775 172 HD11 LEU 27 1HD1 LEU 27 8.613 4.501 -1.215 173 HD12 LEU 27 2HD1 LEU 27 7.988 4.934 -2.806 174 HD13 LEU 27 3HD1 LEU 27 8.707 3.346 -2.545 175 HD21 LEU 27 3HD2 LEU 27 5.648 3.279 0.097 176 HD22 LEU 27 1HD2 LEU 27 6.036 4.964 -0.251 177 HD23 LEU 27 2HD2 LEU 27 7.292 3.873 0.336 178 H VAL 28 H VAL 28 3.659 3.588 -4.940 179 HA VAL 28 HA VAL 28 2.287 6.076 -4.969 180 HB VAL 28 HB VAL 28 2.469 3.838 -6.977 181 HG11 VAL 28 1HG1 VAL 28 0.382 4.715 -7.510 182 HG12 VAL 28 2HG1 VAL 28 0.851 6.358 -7.069 183 HG13 VAL 28 3HG1 VAL 28 1.478 5.627 -8.546 184 HG21 VAL 28 3HG2 VAL 28 3.488 6.148 -8.072 185 HG22 VAL 28 1HG2 VAL 28 3.974 6.258 -6.380 186 HG23 VAL 28 2HG2 VAL 28 4.430 4.849 -7.339 187 H HIS 29 H HIS 29 1.273 2.731 -4.661 188 HA HIS 29 HA HIS 29 -1.484 3.107 -5.104 189 HB2 HIS 29 1HB HIS 29 -0.861 0.876 -5.171 190 HB3 HIS 29 2HB HIS 29 0.168 1.012 -3.747 191 HD1 HIS 29 HD1 HIS 29 -3.428 0.595 -4.753 192 HD2 HIS 29 HD2 HIS 29 -1.082 0.508 -1.325 193 HE1 HIS 29 HE1 HIS 29 -4.914 -0.326 -2.945 194 H GLN 30 H GLN 30 0.512 3.370 -2.212 195 HA GLN 30 HA GLN 30 -1.410 3.493 -0.242 196 HB2 GLN 30 1HB GLN 30 1.296 4.685 -0.577 197 HB3 GLN 30 2HB GLN 30 0.297 5.293 0.736 198 HG2 GLN 30 1HG GLN 30 1.538 3.607 1.725 199 HG3 GLN 30 2HG GLN 30 -0.010 2.836 1.384 200 HE21 GLN 30 1HE2 GLN 30 0.048 2.044 -1.095 201 HE22 GLN 30 2HE2 GLN 30 1.378 0.993 -1.426 202 H GLN 31 H GLN 31 -0.888 5.674 -2.814 203 HA GLN 31 HA GLN 31 -1.896 8.045 -1.638 204 HB2 GLN 31 1HB GLN 31 -1.752 7.149 -4.518 205 HB3 GLN 31 2HB GLN 31 -2.258 8.758 -4.020 206 HG2 GLN 31 1HG GLN 31 -0.148 9.369 -3.356 207 HG3 GLN 31 2HG GLN 31 0.364 7.705 -3.082 208 HE21 GLN 31 1HE2 GLN 31 -1.338 8.469 -5.972 209 HE22 GLN 31 2HE2 GLN 31 0.011 8.387 -7.048 210 H THR 32 H THR 32 -3.410 5.422 -3.464 211 HA THR 32 HA THR 32 -5.924 6.405 -3.901 212 HB THR 32 HB THR 32 -5.180 4.162 -4.623 213 HG1 THR 32 HG1 THR 32 -7.572 4.109 -3.069 214 HG21 THR 32 3HG2 THR 32 -5.993 2.791 -2.185 215 HG22 THR 32 1HG2 THR 32 -4.550 3.779 -1.962 216 HG23 THR 32 2HG2 THR 32 -4.581 2.532 -3.208 217 H HIS 33 H HIS 33 -4.452 5.735 -0.873 218 HA HIS 33 HA HIS 33 -6.934 5.536 0.595 219 HB2 HIS 33 1HB HIS 33 -4.032 5.611 1.396 220 HB3 HIS 33 2HB HIS 33 -5.321 5.696 2.593 221 HD1 HIS 33 HD1 HIS 33 -7.094 3.578 2.384 222 HD2 HIS 33 HD2 HIS 33 -3.276 3.080 0.823 223 HE1 HIS 33 HE1 HIS 33 -6.766 1.092 2.186 224 H ALA 34 H ALA 34 -4.427 7.948 0.016 225 HA ALA 34 HA ALA 34 -5.498 9.881 1.821 226 HB1 ALA 34 3HB ALA 34 -3.912 10.984 -0.349 227 HB2 ALA 34 1HB ALA 34 -3.617 10.995 1.390 228 HB3 ALA 34 2HB ALA 34 -3.137 9.600 0.422 229 H GLU 35 H GLU 35 -5.967 9.128 -1.568 230 HA GLU 35 HA GLU 35 -7.383 11.541 -2.183 231 HB2 GLU 35 1HB GLU 35 -6.893 8.949 -3.602 232 HB3 GLU 35 2HB GLU 35 -8.116 10.055 -4.210 233 HG2 GLU 35 1HG GLU 35 -6.332 10.766 -5.415 234 HG3 GLU 35 2HG GLU 35 -6.154 11.799 -3.998 235 H GLU 36 H GLU 36 -8.202 8.499 -0.790 236 HA GLU 36 HA GLU 36 -11.047 8.814 -1.309 237 HB2 GLU 36 1HB GLU 36 -9.703 6.584 -1.253 238 HB3 GLU 36 2HB GLU 36 -9.869 6.723 0.492 239 HG2 GLU 36 1HG GLU 36 -12.398 7.043 -0.065 240 HG3 GLU 36 2HG GLU 36 -11.956 6.254 -1.579 241 H LYS 37 H LYS 37 -10.049 10.939 0.126 242 HA LYS 37 HA LYS 37 -9.943 10.966 2.823 243 HB2 LYS 37 1HB LYS 37 -9.879 12.970 1.333 244 HB3 LYS 37 2HB LYS 37 -11.632 12.893 1.219 245 HG2 LYS 37 1HG LYS 37 -11.422 14.432 2.877 246 HG3 LYS 37 2HG LYS 37 -11.459 12.960 3.850 247 HD2 LYS 37 1HD LYS 37 -9.216 13.063 4.336 248 HD3 LYS 37 2HD LYS 37 -8.830 13.966 2.870 249 HE2 LYS 37 1HE LYS 37 -9.660 15.984 3.784 250 HE3 LYS 37 2HE LYS 37 -10.435 15.142 5.126 251 HZ1 LYS 37 3HZ LYS 37 -7.669 14.578 5.106 252 HZ2 LYS 37 1HZ LYS 37 -8.590 15.329 6.310 253 HZ3 LYS 37 2HZ LYS 37 -7.898 16.253 5.074 254 HA PRO 38 HA PRO 38 -13.692 9.125 4.276 255 HB2 PRO 38 1HB PRO 38 -13.459 9.862 6.879 256 HB3 PRO 38 2HB PRO 38 -12.497 8.567 6.158 257 HG2 PRO 38 1HG PRO 38 -11.745 11.416 6.685 258 HG3 PRO 38 2HG PRO 38 -10.797 9.941 6.951 259 HD2 PRO 38 1HD PRO 38 -10.426 11.544 4.800 260 HD3 PRO 38 2HD PRO 38 -10.182 9.787 4.735 261 H SER 39 H SER 39 -15.660 9.929 3.947 262 HA SER 39 HA SER 39 -16.246 12.655 4.901 263 HB2 SER 39 1HB SER 39 -16.204 12.549 2.445 264 HB3 SER 39 2HB SER 39 -17.398 11.251 2.476 265 HG SER 39 HG SER 39 -18.765 12.818 3.624 266 H GLY 40 H GLY 40 -17.195 12.170 6.835 267 HA2 GLY 40 1HA GLY 40 -19.876 11.114 6.721 268 HA3 GLY 40 2HA GLY 40 -18.753 10.081 7.593 269 HA PRO 41 HA PRO 41 -20.545 12.987 10.681 270 HB2 PRO 41 1HB PRO 41 -20.733 11.123 12.646 271 HB3 PRO 41 2HB PRO 41 -21.983 11.353 11.416 272 HG2 PRO 41 1HG PRO 41 -19.801 9.306 11.541 273 HG3 PRO 41 2HG PRO 41 -21.505 9.100 11.092 274 HD2 PRO 41 1HD PRO 41 -19.526 9.283 9.253 275 HD3 PRO 41 2HD PRO 41 -21.167 9.889 8.953 276 H SER 42 H SER 42 -19.675 13.676 12.743 277 HA SER 42 HA SER 42 -16.823 13.675 12.767 278 HB2 SER 42 1HB SER 42 -18.289 15.593 13.501 279 HB3 SER 42 2HB SER 42 -18.661 14.666 14.954 280 HG SER 42 HG SER 42 -16.435 14.682 15.448 281 H SER 43 H SER 43 -15.964 11.689 13.171 282 HA SER 43 HA SER 43 -16.539 10.540 15.822 283 HB2 SER 43 1HB SER 43 -17.530 9.073 14.172 284 HB3 SER 43 2HB SER 43 -16.038 9.057 13.231 285 HG SER 43 HG SER 43 -16.706 7.377 15.096 286 H GLY 44 H GLY 44 -14.745 11.706 16.654 287 HA2 GLY 44 1HA GLY 44 -12.137 10.624 15.778 288 HA3 GLY 44 2HA GLY 44 -12.348 12.282 16.320 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -6.239 -21.095 -19.069 2 HA2 GLY 1 1HA GLY 1 -4.542 -19.617 -19.846 3 HA3 GLY 1 2HA GLY 1 -4.808 -19.143 -18.175 4 H SER 2 H SER 2 -3.130 -19.191 -16.816 5 HA SER 2 HA SER 2 -0.654 -20.462 -17.773 6 HB2 SER 2 1HB SER 2 -0.440 -18.051 -17.525 7 HB3 SER 2 2HB SER 2 -1.041 -18.139 -15.870 8 HG SER 2 HG SER 2 1.134 -18.101 -15.674 9 H SER 3 H SER 3 0.790 -21.345 -16.113 10 HA SER 3 HA SER 3 -0.695 -22.405 -13.798 11 HB2 SER 3 1HB SER 3 -0.224 -24.068 -15.679 12 HB3 SER 3 2HB SER 3 1.479 -23.918 -15.246 13 HG SER 3 HG SER 3 0.620 -24.425 -13.016 14 H GLY 4 H GLY 4 0.094 -21.169 -12.177 15 HA2 GLY 4 1HA GLY 4 1.989 -21.400 -10.542 16 HA3 GLY 4 2HA GLY 4 3.033 -21.025 -11.906 17 H SER 5 H SER 5 3.183 -19.531 -9.618 18 HA SER 5 HA SER 5 1.549 -17.176 -9.812 19 HB2 SER 5 1HB SER 5 3.034 -16.300 -8.022 20 HB3 SER 5 2HB SER 5 2.371 -17.886 -7.633 21 HG SER 5 HG SER 5 4.547 -18.484 -8.810 22 H SER 6 H SER 6 4.870 -18.047 -10.654 23 HA SER 6 HA SER 6 6.473 -16.989 -11.881 24 HB2 SER 6 1HB SER 6 4.592 -17.357 -13.569 25 HB3 SER 6 2HB SER 6 4.190 -15.655 -13.340 26 HG SER 6 HG SER 6 5.815 -15.146 -14.562 27 H GLY 7 H GLY 7 5.951 -15.722 -9.478 28 HA2 GLY 7 1HA GLY 7 7.288 -13.417 -9.479 29 HA3 GLY 7 2HA GLY 7 5.705 -12.869 -10.010 30 H GLU 8 H GLU 8 7.465 -12.644 -7.461 31 HA GLU 8 HA GLU 8 5.344 -13.375 -5.552 32 HB2 GLU 8 1HB GLU 8 7.161 -13.307 -3.825 33 HB3 GLU 8 2HB GLU 8 7.336 -14.584 -5.020 34 HG2 GLU 8 1HG GLU 8 8.934 -13.117 -6.247 35 HG3 GLU 8 2HG GLU 8 8.848 -11.988 -4.896 36 H LYS 9 H LYS 9 4.810 -11.900 -3.898 37 HA LYS 9 HA LYS 9 5.638 -9.122 -4.437 38 HB2 LYS 9 1HB LYS 9 2.949 -10.115 -3.473 39 HB3 LYS 9 2HB LYS 9 3.397 -8.425 -3.664 40 HG2 LYS 9 1HG LYS 9 3.899 -9.109 -6.119 41 HG3 LYS 9 2HG LYS 9 2.861 -10.489 -5.751 42 HD2 LYS 9 1HD LYS 9 1.089 -8.921 -5.039 43 HD3 LYS 9 2HD LYS 9 2.126 -7.572 -5.506 44 HE2 LYS 9 1HE LYS 9 1.156 -9.747 -7.357 45 HE3 LYS 9 2HE LYS 9 0.455 -8.134 -7.232 46 HZ1 LYS 9 3HZ LYS 9 2.478 -7.174 -8.014 47 HZ2 LYS 9 1HZ LYS 9 2.042 -8.403 -9.093 48 HZ3 LYS 9 2HZ LYS 9 3.280 -8.662 -7.971 49 HA PRO 10 HA PRO 10 6.905 -10.175 -0.116 50 HB2 PRO 10 1HB PRO 10 9.272 -8.853 -0.254 51 HB3 PRO 10 2HB PRO 10 9.073 -10.524 -0.793 52 HG2 PRO 10 1HG PRO 10 9.112 -8.005 -2.410 53 HG3 PRO 10 2HG PRO 10 9.889 -9.563 -2.747 54 HD2 PRO 10 1HD PRO 10 7.570 -8.807 -3.922 55 HD3 PRO 10 2HD PRO 10 7.943 -10.502 -3.549 56 H PHE 11 H PHE 11 5.838 -7.535 -1.766 57 HA PHE 11 HA PHE 11 6.138 -5.779 0.582 58 HB2 PHE 11 1HB PHE 11 5.950 -5.027 -2.341 59 HB3 PHE 11 2HB PHE 11 5.878 -3.870 -1.016 60 HD1 PHE 11 HD1 PHE 11 8.027 -6.263 -2.797 61 HD2 PHE 11 HD2 PHE 11 7.842 -3.185 0.137 62 HE1 PHE 11 HE1 PHE 11 10.483 -6.117 -2.801 63 HE2 PHE 11 HE2 PHE 11 10.298 -3.033 0.137 64 HZ PHE 11 HZ PHE 11 11.622 -4.499 -1.334 65 H GLY 12 H GLY 12 4.281 -5.849 1.678 66 HA2 GLY 12 1HA GLY 12 1.765 -5.716 0.132 67 HA3 GLY 12 2HA GLY 12 1.919 -6.565 1.663 68 H CYS 13 H CYS 13 0.393 -4.091 0.509 69 HA CYS 13 HA CYS 13 1.126 -1.791 1.857 70 HB2 CYS 13 1HB CYS 13 -0.704 -2.005 0.150 71 HB3 CYS 13 2HB CYS 13 -1.720 -2.703 1.406 72 H SER 14 H SER 14 0.252 -0.799 3.784 73 HA SER 14 HA SER 14 -0.037 -2.753 5.941 74 HB2 SER 14 1HB SER 14 1.686 -1.168 6.378 75 HB3 SER 14 2HB SER 14 0.656 0.186 5.913 76 HG SER 14 HG SER 14 -0.671 -0.384 7.750 77 H CYS 15 H CYS 15 -1.692 -0.024 4.462 78 HA CYS 15 HA CYS 15 -3.798 0.105 6.374 79 HB2 CYS 15 1HB CYS 15 -3.347 1.251 3.641 80 HB3 CYS 15 2HB CYS 15 -4.943 1.350 4.375 81 HG CYS 15 HG CYS 15 -2.394 3.318 4.808 82 H CYS 16 H CYS 16 -3.464 -1.394 3.181 83 HA CYS 16 HA CYS 16 -5.990 -2.830 3.666 84 HB2 CYS 16 1HB CYS 16 -6.112 -3.134 1.219 85 HB3 CYS 16 2HB CYS 16 -6.077 -1.433 1.670 86 H GLU 17 H GLU 17 -5.865 -4.918 2.036 87 HA GLU 17 HA GLU 17 -3.556 -6.434 3.043 88 HB2 GLU 17 1HB GLU 17 -4.888 -8.393 2.969 89 HB3 GLU 17 2HB GLU 17 -5.900 -7.145 3.682 90 HG2 GLU 17 1HG GLU 17 -6.057 -7.543 0.749 91 HG3 GLU 17 2HG GLU 17 -6.781 -8.765 1.792 92 H LYS 18 H LYS 18 -3.628 -4.735 0.617 93 HA LYS 18 HA LYS 18 -3.518 -6.628 -1.581 94 HB2 LYS 18 1HB LYS 18 -3.214 -3.644 -1.365 95 HB3 LYS 18 2HB LYS 18 -2.782 -4.496 -2.841 96 HG2 LYS 18 1HG LYS 18 -5.011 -5.245 -3.164 97 HG3 LYS 18 2HG LYS 18 -5.492 -4.701 -1.554 98 HD2 LYS 18 1HD LYS 18 -5.404 -2.445 -2.165 99 HD3 LYS 18 2HD LYS 18 -4.424 -2.777 -3.596 100 HE2 LYS 18 1HE LYS 18 -6.240 -3.598 -4.798 101 HE3 LYS 18 2HE LYS 18 -7.191 -3.896 -3.344 102 HZ1 LYS 18 3HZ LYS 18 -6.962 -1.298 -3.141 103 HZ2 LYS 18 1HZ LYS 18 -8.180 -2.005 -4.079 104 HZ3 LYS 18 2HZ LYS 18 -6.782 -1.405 -4.820 105 H ALA 19 H ALA 19 -1.593 -6.549 -3.060 106 HA ALA 19 HA ALA 19 0.932 -6.071 -1.653 107 HB1 ALA 19 3HB ALA 19 0.107 -8.688 -2.891 108 HB2 ALA 19 1HB ALA 19 1.777 -8.280 -2.498 109 HB3 ALA 19 2HB ALA 19 0.568 -8.378 -1.218 110 H PHE 20 H PHE 20 2.762 -5.856 -3.039 111 HA PHE 20 HA PHE 20 2.174 -5.599 -5.900 112 HB2 PHE 20 1HB PHE 20 3.532 -3.488 -4.211 113 HB3 PHE 20 2HB PHE 20 3.412 -3.451 -5.967 114 HD1 PHE 20 HD2 PHE 20 1.190 -3.814 -2.992 115 HD2 PHE 20 HD1 PHE 20 1.733 -2.195 -6.890 116 HE1 PHE 20 HE2 PHE 20 -0.980 -2.668 -2.815 117 HE2 PHE 20 HE1 PHE 20 -0.435 -1.046 -6.719 118 HZ PHE 20 HZ PHE 20 -1.796 -1.282 -4.680 119 H SER 21 H SER 21 3.810 -6.188 -7.240 120 HA SER 21 HA SER 21 5.816 -7.878 -6.352 121 HB2 SER 21 1HB SER 21 6.844 -7.521 -8.620 122 HB3 SER 21 2HB SER 21 5.129 -7.931 -8.658 123 HG SER 21 HG SER 21 5.165 -6.217 -9.938 124 H SER 22 H SER 22 6.071 -4.450 -7.261 125 HA SER 22 HA SER 22 8.696 -4.376 -5.926 126 HB2 SER 22 1HB SER 22 9.031 -3.781 -8.195 127 HB3 SER 22 2HB SER 22 7.586 -2.770 -8.226 128 HG SER 22 HG SER 22 10.084 -2.259 -7.023 129 H LYS 23 H LYS 23 9.174 -2.670 -4.525 130 HA LYS 23 HA LYS 23 7.092 -1.790 -2.875 131 HB2 LYS 23 1HB LYS 23 9.313 -1.932 -1.992 132 HB3 LYS 23 2HB LYS 23 9.929 -0.812 -3.200 133 HG2 LYS 23 1HG LYS 23 9.792 0.561 -1.382 134 HG3 LYS 23 2HG LYS 23 8.205 0.831 -2.106 135 HD2 LYS 23 1HD LYS 23 7.117 -0.452 -0.504 136 HD3 LYS 23 2HD LYS 23 8.588 -1.319 -0.057 137 HE2 LYS 23 1HE LYS 23 9.334 0.369 1.298 138 HE3 LYS 23 2HE LYS 23 8.498 1.621 0.381 139 HZ1 LYS 23 3HZ LYS 23 6.592 -0.100 1.514 140 HZ2 LYS 23 1HZ LYS 23 6.845 1.543 1.829 141 HZ3 LYS 23 2HZ LYS 23 7.667 0.372 2.731 142 H SER 24 H SER 24 8.973 -0.001 -5.311 143 HA SER 24 HA SER 24 7.997 2.506 -5.114 144 HB2 SER 24 1HB SER 24 9.546 2.171 -6.839 145 HB3 SER 24 2HB SER 24 8.615 0.852 -7.548 146 HG SER 24 HG SER 24 8.476 2.853 -8.722 147 H TYR 25 H TYR 25 6.419 -0.004 -7.100 148 HA TYR 25 HA TYR 25 4.157 1.411 -7.812 149 HB2 TYR 25 1HB TYR 25 4.684 -1.514 -7.406 150 HB3 TYR 25 2HB TYR 25 3.062 -0.958 -7.804 151 HD1 TYR 25 HD1 TYR 25 3.245 0.977 -9.802 152 HD2 TYR 25 HD2 TYR 25 5.811 -2.367 -9.218 153 HE1 TYR 25 HE1 TYR 25 3.845 1.028 -12.187 154 HE2 TYR 25 HE2 TYR 25 6.419 -2.324 -11.601 155 HH TYR 25 HH TYR 25 4.724 -0.788 -13.902 156 H LEU 26 H LEU 26 4.647 -0.635 -4.949 157 HA LEU 26 HA LEU 26 2.116 -0.455 -3.839 158 HB2 LEU 26 1HB LEU 26 3.765 -1.953 -2.948 159 HB3 LEU 26 2HB LEU 26 4.809 -0.606 -2.498 160 HG LEU 26 HG LEU 26 3.143 0.089 -0.817 161 HD11 LEU 26 1HD1 LEU 26 1.157 -0.838 -1.917 162 HD12 LEU 26 2HD1 LEU 26 1.299 -1.381 -0.246 163 HD13 LEU 26 3HD1 LEU 26 1.731 -2.468 -1.566 164 HD21 LEU 26 3HD2 LEU 26 5.032 -1.439 -0.277 165 HD22 LEU 26 1HD2 LEU 26 3.937 -2.802 -0.506 166 HD23 LEU 26 2HD2 LEU 26 3.632 -1.632 0.778 167 H LEU 27 H LEU 27 4.894 1.710 -3.361 168 HA LEU 27 HA LEU 27 3.793 3.447 -1.511 169 HB2 LEU 27 1HB LEU 27 5.761 3.886 -3.735 170 HB3 LEU 27 2HB LEU 27 5.305 5.178 -2.627 171 HG LEU 27 HG LEU 27 6.585 2.571 -1.807 172 HD11 LEU 27 1HD1 LEU 27 7.721 5.284 -2.392 173 HD12 LEU 27 2HD1 LEU 27 8.256 3.708 -2.974 174 HD13 LEU 27 3HD1 LEU 27 8.522 4.163 -1.291 175 HD21 LEU 27 3HD2 LEU 27 5.456 4.875 -0.349 176 HD22 LEU 27 1HD2 LEU 27 7.016 4.279 0.220 177 HD23 LEU 27 2HD2 LEU 27 5.631 3.190 0.144 178 H VAL 28 H VAL 28 3.774 3.800 -5.060 179 HA VAL 28 HA VAL 28 2.241 6.113 -5.208 180 HB VAL 28 HB VAL 28 2.304 3.803 -7.155 181 HG11 VAL 28 1HG1 VAL 28 0.744 6.218 -7.124 182 HG12 VAL 28 2HG1 VAL 28 1.847 6.214 -8.502 183 HG13 VAL 28 3HG1 VAL 28 0.714 4.881 -8.273 184 HG21 VAL 28 3HG2 VAL 28 4.306 4.519 -7.813 185 HG22 VAL 28 1HG2 VAL 28 3.735 6.184 -7.932 186 HG23 VAL 28 2HG2 VAL 28 4.329 5.564 -6.392 187 H HIS 29 H HIS 29 1.236 2.749 -4.908 188 HA HIS 29 HA HIS 29 -1.501 3.083 -5.397 189 HB2 HIS 29 1HB HIS 29 -0.931 0.857 -5.352 190 HB3 HIS 29 2HB HIS 29 0.163 1.054 -3.987 191 HD1 HIS 29 HD1 HIS 29 -3.476 0.589 -4.800 192 HD2 HIS 29 HD2 HIS 29 -0.965 0.638 -1.490 193 HE1 HIS 29 HE1 HIS 29 -4.868 -0.266 -2.888 194 H GLN 30 H GLN 30 0.234 2.997 -2.284 195 HA GLN 30 HA GLN 30 -1.705 3.323 -0.466 196 HB2 GLN 30 1HB GLN 30 1.015 4.500 -0.694 197 HB3 GLN 30 2HB GLN 30 -0.039 5.146 0.557 198 HG2 GLN 30 1HG GLN 30 -0.018 3.224 1.769 199 HG3 GLN 30 2HG GLN 30 0.210 2.201 0.352 200 HE21 GLN 30 1HE2 GLN 30 2.240 1.683 -0.301 201 HE22 GLN 30 2HE2 GLN 30 3.670 2.125 0.562 202 H GLN 31 H GLN 31 -0.540 5.868 -2.622 203 HA GLN 31 HA GLN 31 -1.673 8.124 -1.692 204 HB2 GLN 31 1HB GLN 31 -1.714 7.120 -4.539 205 HB3 GLN 31 2HB GLN 31 -2.126 8.767 -4.081 206 HG2 GLN 31 1HG GLN 31 0.165 8.909 -3.029 207 HG3 GLN 31 2HG GLN 31 0.528 7.387 -3.840 208 HE21 GLN 31 1HE2 GLN 31 2.186 9.154 -4.582 209 HE22 GLN 31 2HE2 GLN 31 1.807 9.891 -6.098 210 H THR 32 H THR 32 -3.415 5.593 -3.469 211 HA THR 32 HA THR 32 -5.880 6.627 -3.815 212 HB THR 32 HB THR 32 -5.251 4.278 -4.341 213 HG1 THR 32 HG1 THR 32 -7.341 4.077 -4.535 214 HG21 THR 32 3HG2 THR 32 -5.337 2.561 -2.699 215 HG22 THR 32 1HG2 THR 32 -5.955 3.669 -1.474 216 HG23 THR 32 2HG2 THR 32 -4.294 3.824 -2.047 217 H HIS 33 H HIS 33 -4.659 5.317 -0.747 218 HA HIS 33 HA HIS 33 -6.987 5.661 0.763 219 HB2 HIS 33 1HB HIS 33 -4.081 5.702 1.591 220 HB3 HIS 33 2HB HIS 33 -5.420 5.701 2.735 221 HD1 HIS 33 HD1 HIS 33 -6.989 3.523 2.651 222 HD2 HIS 33 HD2 HIS 33 -3.347 3.235 0.672 223 HE1 HIS 33 HE1 HIS 33 -6.607 1.063 2.301 224 H ALA 34 H ALA 34 -4.370 7.894 0.005 225 HA ALA 34 HA ALA 34 -5.083 9.952 1.782 226 HB1 ALA 34 3HB ALA 34 -3.403 11.125 0.833 227 HB2 ALA 34 1HB ALA 34 -3.007 9.560 0.122 228 HB3 ALA 34 2HB ALA 34 -3.920 10.748 -0.810 229 H GLU 35 H GLU 35 -6.113 9.225 -1.518 230 HA GLU 35 HA GLU 35 -7.761 11.598 -1.669 231 HB2 GLU 35 1HB GLU 35 -6.525 10.430 -3.616 232 HB3 GLU 35 2HB GLU 35 -7.865 9.292 -3.594 233 HG2 GLU 35 1HG GLU 35 -8.241 10.993 -5.260 234 HG3 GLU 35 2HG GLU 35 -9.431 11.137 -3.967 235 H GLU 36 H GLU 36 -8.487 8.122 -2.036 236 HA GLU 36 HA GLU 36 -10.507 7.032 -1.807 237 HB2 GLU 36 1HB GLU 36 -9.868 8.301 0.834 238 HB3 GLU 36 2HB GLU 36 -11.329 7.340 0.650 239 HG2 GLU 36 1HG GLU 36 -8.676 6.237 -0.169 240 HG3 GLU 36 2HG GLU 36 -9.177 6.219 1.521 241 H LYS 37 H LYS 37 -10.848 9.558 -3.077 242 HA LYS 37 HA LYS 37 -12.774 11.243 -2.076 243 HB2 LYS 37 1HB LYS 37 -13.271 11.866 -4.333 244 HB3 LYS 37 2HB LYS 37 -11.554 11.494 -4.252 245 HG2 LYS 37 1HG LYS 37 -12.197 9.167 -5.080 246 HG3 LYS 37 2HG LYS 37 -13.761 9.880 -5.481 247 HD2 LYS 37 1HD LYS 37 -11.145 11.023 -6.438 248 HD3 LYS 37 2HD LYS 37 -12.056 9.816 -7.349 249 HE2 LYS 37 1HE LYS 37 -13.094 12.515 -6.489 250 HE3 LYS 37 2HE LYS 37 -12.523 12.109 -8.107 251 HZ1 LYS 37 3HZ LYS 37 -14.630 11.569 -8.515 252 HZ2 LYS 37 1HZ LYS 37 -15.055 11.569 -6.878 253 HZ3 LYS 37 2HZ LYS 37 -14.370 10.188 -7.573 254 HA PRO 38 HA PRO 38 -16.498 8.942 -1.690 255 HB2 PRO 38 1HB PRO 38 -18.320 10.920 -2.061 256 HB3 PRO 38 2HB PRO 38 -17.352 10.769 -0.590 257 HG2 PRO 38 1HG PRO 38 -16.935 12.554 -2.957 258 HG3 PRO 38 2HG PRO 38 -16.780 12.930 -1.231 259 HD2 PRO 38 1HD PRO 38 -14.639 12.419 -2.808 260 HD3 PRO 38 2HD PRO 38 -14.680 11.991 -1.085 261 H SER 39 H SER 39 -16.109 7.716 -3.672 262 HA SER 39 HA SER 39 -17.985 8.501 -5.797 263 HB2 SER 39 1HB SER 39 -16.460 7.744 -7.509 264 HB3 SER 39 2HB SER 39 -15.612 8.910 -6.494 265 HG SER 39 HG SER 39 -14.371 7.354 -5.705 266 H GLY 40 H GLY 40 -19.566 7.054 -5.838 267 HA2 GLY 40 1HA GLY 40 -20.649 5.028 -5.937 268 HA3 GLY 40 2HA GLY 40 -19.084 4.288 -6.241 269 HA PRO 41 HA PRO 41 -20.698 3.803 -1.704 270 HB2 PRO 41 1HB PRO 41 -22.484 1.769 -1.914 271 HB3 PRO 41 2HB PRO 41 -22.954 3.471 -1.990 272 HG2 PRO 41 1HG PRO 41 -22.516 1.525 -4.222 273 HG3 PRO 41 2HG PRO 41 -23.808 2.723 -4.020 274 HD2 PRO 41 1HD PRO 41 -21.671 3.141 -5.630 275 HD3 PRO 41 2HD PRO 41 -22.485 4.459 -4.762 276 H SER 42 H SER 42 -19.215 2.155 -4.138 277 HA SER 42 HA SER 42 -18.887 -0.450 -3.485 278 HB2 SER 42 1HB SER 42 -16.757 1.529 -4.314 279 HB3 SER 42 2HB SER 42 -16.494 -0.214 -4.257 280 HG SER 42 HG SER 42 -17.149 0.666 -6.345 281 H SER 43 H SER 43 -16.951 2.189 -2.068 282 HA SER 43 HA SER 43 -15.659 0.532 -0.169 283 HB2 SER 43 1HB SER 43 -14.911 2.635 0.860 284 HB3 SER 43 2HB SER 43 -14.722 2.690 -0.893 285 HG SER 43 HG SER 43 -16.808 3.795 -0.899 286 H GLY 44 H GLY 44 -17.333 -0.663 0.831 287 HA2 GLY 44 1HA GLY 44 -19.156 -1.002 2.242 288 HA3 GLY 44 2HA GLY 44 -18.110 -0.084 3.315
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