NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
592330 | 2ms3 | 25102 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -10.792 -9.059 0.136 2 HA2 GLY 1 1HA GLY 1 -9.210 -7.915 -1.857 3 HA3 GLY 1 2HA GLY 1 -10.862 -7.410 -2.152 4 HA PRO 2 HA PRO 2 -9.608 -5.722 2.187 5 HB2 PRO 2 2HB PRO 2 -6.803 -6.397 2.668 6 HB3 PRO 2 3HB PRO 2 -8.271 -6.961 3.532 7 HG2 PRO 2 2HG PRO 2 -6.731 -8.883 1.844 8 HG3 PRO 2 3HG PRO 2 -8.437 -8.801 2.391 9 HD2 PRO 2 2HD PRO 2 -7.168 -7.629 -0.159 10 HD3 PRO 2 3HD PRO 2 -8.508 -8.810 -0.049 11 H ARG 3 H ARG 3 -8.102 -3.828 2.973 12 HA ARG 3 HA ARG 3 -6.451 -2.854 0.832 13 HB2 ARG 3 1HB ARG 3 -8.060 -0.622 1.758 14 HB3 ARG 3 2HB ARG 3 -7.871 -1.220 0.122 15 HG2 ARG 3 1HG ARG 3 -10.218 -1.395 0.628 16 HG3 ARG 3 2HG ARG 3 -9.590 -3.030 0.670 17 HD2 ARG 3 1HD ARG 3 -10.530 -3.186 2.742 18 HD3 ARG 3 2HD ARG 3 -9.202 -2.189 3.302 19 HE ARG 3 HE ARG 3 -10.923 -0.273 2.435 20 HH11 ARG 3 2HH2 ARG 3 -11.508 -3.142 4.429 21 HH12 ARG 3 1HH2 ARG 3 -12.833 -2.429 5.287 22 HH22 ARG 3 1HH ARG 3 -13.499 -0.187 4.763 23 H MET 4 H MET 4 -4.767 -1.488 1.608 24 HA MET 4 HA MET 4 -4.751 -1.225 4.507 25 HB2 MET 4 1HB MET 4 -2.358 -0.905 2.635 26 HB3 MET 4 2HB MET 4 -2.335 -1.312 4.340 27 HG2 MET 4 1HG MET 4 -3.256 -3.533 3.905 28 HG3 MET 4 2HG MET 4 -3.590 -3.131 2.233 29 HE1 MET 4 3HE MET 4 -1.659 -4.490 4.722 30 HE2 MET 4 1HE MET 4 -0.983 -5.651 3.555 31 HE3 MET 4 2HE MET 4 0.075 -4.445 4.326 32 H GLN 5 H GLN 5 -2.945 0.732 5.017 33 HA GLN 5 HA GLN 5 -3.222 2.954 3.318 34 HB2 GLN 5 1HB GLN 5 -4.674 4.364 4.606 35 HB3 GLN 5 2HB GLN 5 -5.525 2.847 4.395 36 HG2 GLN 5 1HG GLN 5 -3.906 2.629 6.777 37 HG3 GLN 5 2HG GLN 5 -4.779 4.147 6.858 38 HE21 GLN 5 1HE2 GLN 5 -5.690 1.119 5.256 39 HE22 GLN 5 2HE2 GLN 5 -7.121 0.795 6.177 40 H CYS 6 H CYS 6 -1.841 4.716 3.995 41 HA CYS 6 HA CYS 6 0.040 3.858 6.036 42 HB2 CYS 6 1HB CYS 6 1.196 6.062 4.984 43 HB3 CYS 6 2HB CYS 6 1.402 4.449 4.330 44 H SER 7 H SER 7 0.126 4.877 8.029 45 HA SER 7 HA SER 7 -1.850 6.875 8.520 46 HB2 SER 7 1HB SER 7 -1.226 6.615 10.868 47 HB3 SER 7 2HB SER 7 -1.391 5.032 10.136 48 HG SER 7 HG SER 7 1.202 6.038 9.913 49 H VAL 8 H VAL 8 -0.162 7.975 6.670 50 HA VAL 8 HA VAL 8 1.253 9.967 8.272 51 HB VAL 8 HB VAL 8 2.371 8.437 5.917 52 HG11 VAL 8 1HG1 VAL 8 3.548 10.848 7.343 53 HG12 VAL 8 2HG1 VAL 8 4.336 9.893 6.064 54 HG13 VAL 8 3HG1 VAL 8 2.873 10.837 5.696 55 HG21 VAL 8 3HG2 VAL 8 2.542 8.027 8.722 56 HG22 VAL 8 1HG2 VAL 8 3.425 7.182 7.427 57 HG23 VAL 8 2HG2 VAL 8 4.127 8.633 8.184 58 H CYS 9 H CYS 9 0.317 9.012 4.888 59 HA CYS 9 HA CYS 9 -0.428 11.807 4.477 60 HB2 CYS 9 1HB CYS 9 -0.027 11.544 2.195 61 HB3 CYS 9 2HB CYS 9 1.256 10.606 2.934 62 H GLN 10 H GLN 10 -1.511 8.410 4.549 63 HA GLN 10 HA GLN 10 -3.563 7.680 4.959 64 HB2 GLN 10 1HB GLN 10 -4.072 10.321 5.396 65 HB3 GLN 10 2HB GLN 10 -5.048 10.079 3.961 66 HG2 GLN 10 1HG GLN 10 -5.216 8.466 6.549 67 HG3 GLN 10 2HG GLN 10 -6.392 9.635 5.980 68 HE21 GLN 10 1HE2 GLN 10 -7.629 9.198 4.120 69 HE22 GLN 10 2HE2 GLN 10 -7.922 7.582 3.569 70 H TRP 11 H TRP 11 -2.383 6.723 2.874 71 HA TRP 11 HA TRP 11 -4.145 7.203 0.569 72 HB2 TRP 11 1HB TRP 11 -1.769 7.785 0.227 73 HB3 TRP 11 2HB TRP 11 -1.317 6.135 0.609 74 HD1 TRP 11 HD TRP 11 -3.316 8.063 -2.119 75 HE1 TRP 11 1HE TRP 11 -3.296 6.739 -4.402 76 HE3 TRP 11 3HE TRP 11 -0.939 3.946 -0.314 77 HZ2 TRP 11 2HZ TRP 11 -2.309 4.176 -5.179 78 HZ3 TRP 11 3HZ TRP 11 -0.485 2.078 -1.901 79 HH2 TRP 11 HH TRP 11 -1.129 2.146 -4.258 80 H ILE 12 H ILE 12 -5.609 5.588 0.231 81 HA ILE 12 HA ILE 12 -5.269 3.108 1.660 82 HB ILE 12 HB ILE 12 -7.480 4.151 -0.112 83 HG12 ILE 12 1HG1 ILE 12 -6.924 4.294 2.828 84 HG13 ILE 12 2HG1 ILE 12 -7.554 5.521 1.746 85 HG21 ILE 12 1HG2 ILE 12 -7.930 1.912 1.795 86 HG22 ILE 12 2HG2 ILE 12 -8.687 2.259 0.222 87 HG23 ILE 12 3HG2 ILE 12 -7.059 1.543 0.287 88 HD11 ILE 12 3HD1 ILE 12 -9.623 3.917 1.491 89 HD12 ILE 12 1HD1 ILE 12 -9.005 3.166 2.982 90 HD13 ILE 12 2HD1 ILE 12 -9.464 4.886 2.976 91 H TYR 13 H TYR 13 -4.800 1.162 0.824 92 HA TYR 13 HA TYR 13 -3.952 1.135 -2.029 93 HB2 TYR 13 1HB TYR 13 -2.154 0.728 -0.447 94 HB3 TYR 13 2HB TYR 13 -3.105 -0.526 0.366 95 HD1 TYR 13 2HD TYR 13 -3.620 -2.669 -0.837 96 HD2 TYR 13 1HD TYR 13 -0.884 0.249 -2.402 97 HE1 TYR 13 2HE TYR 13 -2.665 -4.380 -2.357 98 HE2 TYR 13 1HE TYR 13 0.071 -1.461 -3.923 99 HH TYR 13 HH TYR 13 -0.723 -3.704 -4.996 100 H ASP 14 H ASP 14 -5.871 0.507 -3.121 101 HA ASP 14 HA ASP 14 -7.257 -1.763 -2.002 102 HB2 ASP 14 1HB ASP 14 -7.869 -0.074 -4.474 103 HB3 ASP 14 2HB ASP 14 -8.929 -1.295 -3.799 104 HD2 ASP 14 HD ASP 14 -10.135 0.108 -1.352 105 HA PRO 15 HA PRO 15 -4.649 -4.364 -4.601 106 HB2 PRO 15 2HB PRO 15 -6.831 -6.298 -3.771 107 HB3 PRO 15 3HB PRO 15 -5.045 -6.462 -3.726 108 HG2 PRO 15 2HG PRO 15 -6.520 -5.950 -1.480 109 HG3 PRO 15 3HG PRO 15 -4.892 -5.261 -1.786 110 HD2 PRO 15 2HD PRO 15 -7.656 -4.012 -2.104 111 HD3 PRO 15 3HD PRO 15 -6.146 -3.271 -1.494 112 H ALA 16 H ALA 16 -8.083 -3.556 -4.906 113 HA ALA 16 HA ALA 16 -8.408 -5.030 -7.348 114 HB1 ALA 16 1HB ALA 16 -10.623 -4.414 -7.169 115 HB2 ALA 16 2HB ALA 16 -10.135 -4.222 -5.468 116 HB3 ALA 16 3HB ALA 16 -10.236 -2.798 -6.531 117 H LYS 17 H LYS 17 -6.788 -2.177 -6.428 118 HA LYS 17 HA LYS 17 -6.910 -1.237 -9.206 119 HB2 LYS 17 1HB LYS 17 -6.505 0.745 -7.007 120 HB3 LYS 17 2HB LYS 17 -7.199 0.960 -8.601 121 HG2 LYS 17 1HG LYS 17 -9.299 0.089 -7.962 122 HG3 LYS 17 2HG LYS 17 -8.632 -0.827 -6.626 123 HD2 LYS 17 1HD LYS 17 -9.399 0.881 -5.319 124 HD3 LYS 17 2HD LYS 17 -7.975 1.745 -5.864 125 HE2 LYS 17 1HE LYS 17 -9.323 2.645 -7.814 126 HE3 LYS 17 2HE LYS 17 -10.744 1.859 -7.154 127 HZ1 LYS 17 2HZ LYS 17 -9.623 4.323 -6.372 128 HZ3 LYS 17 1HZ LYS 17 -9.591 3.332 -5.081 129 H GLY 18 H GLY 18 -5.078 -1.128 -6.074 130 HA2 GLY 18 1HA GLY 18 -2.857 -0.943 -5.690 131 HA3 GLY 18 2HA GLY 18 -2.748 -2.228 -6.876 132 H GLU 19 H GLU 19 -0.575 -1.186 -7.306 133 HA GLU 19 HA GLU 19 -0.962 0.997 -9.202 134 HB2 GLU 19 1HB GLU 19 0.981 0.712 -6.944 135 HB3 GLU 19 2HB GLU 19 1.626 1.375 -8.433 136 HG2 GLU 19 1HG GLU 19 -0.780 2.436 -6.880 137 HG3 GLU 19 2HG GLU 19 0.795 3.195 -6.993 138 HE2 GLU 19 HE GLU 19 0.212 4.417 -10.217 139 HA PRO 20 HA PRO 20 0.629 -3.077 -11.040 140 HB2 PRO 20 2HB PRO 20 -0.777 -2.345 -13.419 141 HB3 PRO 20 3HB PRO 20 -1.306 -3.508 -12.160 142 HG2 PRO 20 2HG PRO 20 -1.977 -0.646 -12.461 143 HG3 PRO 20 3HG PRO 20 -3.199 -1.848 -11.932 144 HD2 PRO 20 2HD PRO 20 -2.118 -0.330 -10.064 145 HD3 PRO 20 3HD PRO 20 -2.050 -2.097 -9.784 146 H MET 21 H MET 21 0.631 0.407 -11.782 147 HA MET 21 HA MET 21 2.616 -0.028 -13.834 148 HB2 MET 21 1HB MET 21 1.220 2.471 -12.731 149 HB3 MET 21 2HB MET 21 2.418 2.536 -14.008 150 HG2 MET 21 1HG MET 21 0.574 2.343 -15.376 151 HG3 MET 21 2HG MET 21 0.776 0.631 -15.064 152 HE1 MET 21 3HE MET 21 -2.819 0.083 -14.382 153 HE2 MET 21 1HE MET 21 -1.749 0.409 -15.766 154 HE3 MET 21 2HE MET 21 -1.237 -0.724 -14.493 155 H GLN 22 H GLN 22 3.096 -0.619 -10.894 156 HA GLN 22 HA GLN 22 5.497 0.990 -10.716 157 HB2 GLN 22 1HB GLN 22 3.726 2.035 -9.251 158 HB3 GLN 22 2HB GLN 22 3.632 0.537 -8.345 159 HG2 GLN 22 1HG GLN 22 5.574 0.957 -7.211 160 HG3 GLN 22 2HG GLN 22 6.411 1.498 -8.653 161 HE21 GLN 22 1HE2 GLN 22 4.034 2.423 -6.208 162 HE22 GLN 22 2HE2 GLN 22 4.318 4.131 -6.241 163 H ASP 23 H ASP 23 4.531 -1.892 -11.382 164 HA ASP 23 HA ASP 23 5.644 -3.794 -11.281 165 HB2 ASP 23 1HB ASP 23 6.987 -3.067 -8.660 166 HB3 ASP 23 2HB ASP 23 7.545 -4.183 -9.890 167 HD2 ASP 23 HD ASP 23 9.775 -1.745 -10.537 168 H VAL 24 H VAL 24 3.202 -2.700 -9.669 169 HA VAL 24 HA VAL 24 2.893 -5.088 -8.020 170 HB VAL 24 HB VAL 24 2.136 -2.327 -7.059 171 HG11 VAL 24 1HG1 VAL 24 0.910 -4.416 -6.226 172 HG12 VAL 24 2HG1 VAL 24 2.440 -4.861 -5.434 173 HG13 VAL 24 3HG1 VAL 24 1.617 -3.346 -4.992 174 HG21 VAL 24 3HG2 VAL 24 4.114 -3.027 -5.369 175 HG22 VAL 24 1HG2 VAL 24 4.711 -3.805 -6.854 176 HG23 VAL 24 2HG2 VAL 24 4.383 -2.055 -6.835 177 H ALA 25 H ALA 25 1.418 -6.060 -9.387 178 HA ALA 25 HA ALA 25 -0.705 -4.465 -10.519 179 HB1 ALA 25 1HB ALA 25 -0.335 -6.037 -12.093 180 HB2 ALA 25 2HB ALA 25 0.561 -7.073 -10.956 181 HB3 ALA 25 3HB ALA 25 -1.216 -7.161 -11.030 182 HA PRO 26 HA PRO 26 -3.910 -4.888 -7.616 183 HB2 PRO 26 2HB PRO 26 -5.484 -6.256 -9.813 184 HB3 PRO 26 3HB PRO 26 -5.898 -4.847 -8.782 185 HG2 PRO 26 2HG PRO 26 -5.090 -4.477 -11.385 186 HG3 PRO 26 3HG PRO 26 -4.793 -3.474 -9.928 187 HD2 PRO 26 2HD PRO 26 -2.952 -5.409 -11.400 188 HD3 PRO 26 3HD PRO 26 -2.567 -3.823 -10.664 189 H GLY 27 H GLY 27 -5.156 -6.555 -6.360 190 HA2 GLY 27 1HA GLY 27 -5.305 -8.561 -5.361 191 HA3 GLY 27 2HA GLY 27 -5.167 -9.267 -6.959 192 H THR 28 H THR 28 -2.888 -7.398 -4.820 193 HA THR 28 HA THR 28 -1.025 -9.667 -5.065 194 HB THR 28 HB THR 28 -0.559 -6.658 -5.330 195 HG1 THR 28 1HG THR 28 -0.326 -7.371 -7.420 196 HG21 THR 28 3HG2 THR 28 1.726 -8.534 -5.677 197 HG22 THR 28 1HG2 THR 28 1.697 -6.918 -4.932 198 HG23 THR 28 2HG2 THR 28 1.201 -8.342 -3.987 199 HA PRO 29 HA PRO 29 -1.119 -9.730 -0.709 200 HB2 PRO 29 2HB PRO 29 1.040 -11.333 -0.285 201 HB3 PRO 29 3HB PRO 29 -0.446 -11.944 -1.083 202 HG2 PRO 29 2HG PRO 29 1.799 -10.828 -2.072 203 HG3 PRO 29 3HG PRO 29 1.466 -12.384 -2.902 204 HD2 PRO 29 2HD PRO 29 0.766 -10.338 -4.284 205 HD3 PRO 29 3HD PRO 29 -0.632 -11.363 -3.837 206 H TRP 30 H TRP 30 -0.470 -8.067 0.655 207 HA TRP 30 HA TRP 30 1.391 -6.191 0.001 208 HB2 TRP 30 1HB TRP 30 -0.194 -5.795 1.725 209 HB3 TRP 30 2HB TRP 30 0.398 -7.134 2.687 210 HD1 TRP 30 HD TRP 30 2.297 -6.556 4.431 211 HE1 TRP 30 1HE TRP 30 3.746 -4.455 5.103 212 HE3 TRP 30 3HE TRP 30 0.896 -3.673 0.485 213 HZ2 TRP 30 2HZ TRP 30 4.134 -1.881 3.934 214 HZ3 TRP 30 3HZ TRP 30 1.856 -1.378 0.325 215 HH2 TRP 30 HH TRP 30 3.423 -0.472 1.967 216 H SER 31 H SER 31 1.808 -9.452 1.344 217 HA SER 31 HA SER 31 4.373 -9.099 2.344 218 HB2 SER 31 1HB SER 31 4.484 -11.524 2.402 219 HB3 SER 31 2HB SER 31 2.857 -11.038 2.835 220 HG SER 31 HG SER 31 3.788 -12.159 0.348 221 H GLU 32 H GLU 32 3.122 -10.179 -0.877 222 HA GLU 32 HA GLU 32 5.637 -10.721 -1.940 223 HB2 GLU 32 1HB GLU 32 3.473 -11.559 -2.868 224 HB3 GLU 32 2HB GLU 32 3.063 -9.932 -3.376 225 HG2 GLU 32 1HG GLU 32 3.985 -10.865 -5.339 226 HG3 GLU 32 2HG GLU 32 5.336 -9.970 -4.673 227 HE2 GLU 32 HE GLU 32 5.171 -12.362 -6.278 228 H VAL 33 H VAL 33 3.664 -7.751 -1.679 229 HA VAL 33 HA VAL 33 4.855 -6.151 -3.538 230 HB VAL 33 HB VAL 33 3.859 -5.536 -0.752 231 HG11 VAL 33 1HG1 VAL 33 4.457 -3.607 -3.022 232 HG12 VAL 33 2HG1 VAL 33 3.664 -3.193 -1.483 233 HG13 VAL 33 3HG1 VAL 33 5.357 -3.742 -1.492 234 HG21 VAL 33 3HG2 VAL 33 2.463 -5.010 -3.383 235 HG22 VAL 33 1HG2 VAL 33 2.305 -6.557 -2.519 236 HG23 VAL 33 2HG2 VAL 33 1.775 -5.046 -1.742 237 HA PRO 34 HA PRO 34 9.125 -6.508 -2.295 238 HB2 PRO 34 2HB PRO 34 9.333 -4.456 -4.491 239 HB3 PRO 34 3HB PRO 34 10.177 -6.024 -4.271 240 HG2 PRO 34 2HG PRO 34 8.173 -5.771 -6.127 241 HG3 PRO 34 3HG PRO 34 8.579 -7.200 -5.121 242 HD2 PRO 34 2HD PRO 34 6.403 -5.083 -4.749 243 HD3 PRO 34 3HD PRO 34 6.283 -6.860 -4.572 244 H ASP 35 H ASP 35 10.157 -5.312 -0.683 245 HA ASP 35 HA ASP 35 9.011 -3.186 0.476 246 HB2 ASP 35 1HB ASP 35 11.417 -2.627 1.272 247 HB3 ASP 35 2HB ASP 35 10.794 -4.222 1.643 248 HD2 ASP 35 HD ASP 35 13.285 -3.213 -1.132 249 H ASN 36 H ASN 36 10.863 -3.343 -2.516 250 HA ASN 36 HA ASN 36 11.974 -0.896 -2.708 251 HB2 ASN 36 1HB ASN 36 11.432 -3.027 -4.448 252 HB3 ASN 36 2HB ASN 36 10.540 -1.709 -5.182 253 HD21 ASN 36 1HD2 ASN 36 11.695 0.356 -5.464 254 HD22 ASN 36 2HD2 ASN 36 13.367 0.330 -5.916 255 H PHE 37 H PHE 37 8.582 -1.810 -2.602 256 HA PHE 37 HA PHE 37 7.520 0.417 -3.974 257 HB2 PHE 37 1HB PHE 37 6.376 -1.797 -3.478 258 HB3 PHE 37 2HB PHE 37 6.432 -1.432 -1.765 259 HD1 PHE 37 1HD PHE 37 4.811 -0.631 -4.948 260 HD2 PHE 37 2HD PHE 37 4.907 0.176 -0.783 261 HE1 PHE 37 1HE PHE 37 2.581 0.507 -5.118 262 HE2 PHE 37 2HE PHE 37 2.677 1.314 -0.953 263 HZ PHE 37 HZ PHE 37 1.540 1.466 -3.118 264 H LEU 38 H LEU 38 6.974 2.461 -3.276 265 HA LEU 38 HA LEU 38 7.020 2.970 -0.411 266 HB2 LEU 38 1HB LEU 38 8.617 4.672 -2.318 267 HB3 LEU 38 2HB LEU 38 8.535 4.798 -0.572 268 HG LEU 38 HG LEU 38 9.768 2.499 -2.116 269 HD11 LEU 38 1HD1 LEU 38 11.525 4.074 -0.395 270 HD12 LEU 38 2HD1 LEU 38 11.733 3.551 -2.084 271 HD13 LEU 38 3HD1 LEU 38 10.811 5.029 -1.718 272 HD21 LEU 38 3HD2 LEU 38 8.730 2.454 0.457 273 HD22 LEU 38 1HD2 LEU 38 9.912 1.318 -0.235 274 HD23 LEU 38 2HD2 LEU 38 10.472 2.724 0.701 275 H CYS 39 H CYS 39 5.269 4.154 0.151 276 HA CYS 39 HA CYS 39 3.245 4.756 -1.462 277 HB2 CYS 39 1HB CYS 39 3.272 4.976 1.030 278 HB3 CYS 39 2HB CYS 39 4.096 6.514 0.863 279 HA PRO 40 HA PRO 40 4.833 7.856 -4.216 280 HB2 PRO 40 2HB PRO 40 2.484 8.391 -5.516 281 HB3 PRO 40 3HB PRO 40 3.359 6.838 -5.714 282 HG2 PRO 40 2HG PRO 40 1.160 7.507 -4.023 283 HG3 PRO 40 3HG PRO 40 1.208 6.019 -5.024 284 HD2 PRO 40 2HD PRO 40 1.751 5.922 -2.370 285 HD3 PRO 40 3HD PRO 40 2.752 4.982 -3.518 286 H GLU 41 H GLU 41 2.990 8.306 -1.415 287 HA GLU 41 HA GLU 41 2.915 11.171 -1.958 288 HB2 GLU 41 1HB GLU 41 0.892 9.412 -0.543 289 HB3 GLU 41 2HB GLU 41 0.995 11.120 -0.165 290 HG2 GLU 41 1HG GLU 41 0.445 9.888 -2.903 291 HG3 GLU 41 2HG GLU 41 -0.684 10.796 -1.917 292 HE2 GLU 41 HE GLU 41 -0.084 12.056 -4.473 293 H CYS 42 H CYS 42 3.503 8.484 0.327 294 HA CYS 42 HA CYS 42 5.212 10.280 1.834 295 HB2 CYS 42 1HB CYS 42 4.290 9.841 3.948 296 HB3 CYS 42 2HB CYS 42 2.904 10.193 2.935 297 H SER 43 H SER 43 5.911 8.364 -0.126 298 HA SER 43 HA SER 43 6.612 6.217 -0.393 299 HB2 SER 43 1HB SER 43 8.515 7.878 1.247 300 HB3 SER 43 2HB SER 43 8.955 6.213 0.922 301 HG SER 43 HG SER 43 8.739 6.637 -1.362 302 H LEU 44 H LEU 44 8.104 6.484 2.846 303 HA LEU 44 HA LEU 44 7.581 5.480 4.792 304 HB2 LEU 44 1HB LEU 44 5.149 5.328 3.606 305 HB3 LEU 44 2HB LEU 44 5.543 3.625 3.729 306 HG LEU 44 HG LEU 44 5.939 3.933 6.178 307 HD11 LEU 44 1HD1 LEU 44 5.039 5.981 7.253 308 HD12 LEU 44 2HD1 LEU 44 6.484 6.278 6.257 309 HD13 LEU 44 3HD1 LEU 44 4.873 6.717 5.641 310 HD21 LEU 44 3HD2 LEU 44 3.877 3.129 6.300 311 HD22 LEU 44 1HD2 LEU 44 3.244 4.792 6.260 312 HD23 LEU 44 2HD2 LEU 44 3.456 3.884 4.744 313 H GLY 45 H GLY 45 8.570 3.670 5.745 314 HA2 GLY 45 1HA GLY 45 10.104 2.051 3.886 315 HA3 GLY 45 2HA GLY 45 10.281 2.148 5.627 316 H LYS 46 H LYS 46 7.004 1.769 4.438 317 HA LYS 46 HA LYS 46 5.565 0.095 4.475 318 HB2 LYS 46 1HB LYS 46 8.083 -1.492 3.991 319 HB3 LYS 46 2HB LYS 46 6.539 -2.293 4.203 320 HG2 LYS 46 1HG LYS 46 5.787 -0.385 2.407 321 HG3 LYS 46 2HG LYS 46 7.476 -0.528 1.962 322 HD2 LYS 46 1HD LYS 46 5.285 -2.594 1.797 323 HD3 LYS 46 2HD LYS 46 6.503 -2.178 0.608 324 HE2 LYS 46 1HE LYS 46 8.210 -3.128 2.400 325 HE3 LYS 46 2HE LYS 46 6.796 -3.907 3.083 326 HZ1 LYS 46 2HZ LYS 46 7.304 -4.168 0.193 327 HZ3 LYS 46 1HZ LYS 46 6.512 -5.194 1.180 328 H ASP 47 H ASP 47 7.486 1.017 6.893 329 HA ASP 47 HA ASP 47 6.969 -1.176 8.667 330 HB2 ASP 47 1HB ASP 47 8.144 0.256 10.342 331 HB3 ASP 47 2HB ASP 47 9.091 0.030 8.885 332 HD2 ASP 47 HD ASP 47 9.174 3.253 10.303 333 H VAL 48 H VAL 48 5.918 2.199 7.971 334 HA VAL 48 HA VAL 48 4.115 2.220 10.229 335 HB VAL 48 HB VAL 48 4.579 4.203 7.992 336 HG11 VAL 48 1HG1 VAL 48 3.606 5.443 10.359 337 HG12 VAL 48 2HG1 VAL 48 2.810 5.311 8.773 338 HG13 VAL 48 3HG1 VAL 48 2.543 4.059 10.010 339 HG21 VAL 48 3HG2 VAL 48 5.802 3.905 10.741 340 HG22 VAL 48 1HG2 VAL 48 6.618 4.067 9.167 341 HG23 VAL 48 2HG2 VAL 48 5.776 5.463 9.881 342 H PHE 49 H PHE 49 3.971 0.280 7.794 343 HA PHE 49 HA PHE 49 1.284 1.030 6.903 344 HB2 PHE 49 1HB PHE 49 3.705 -0.269 5.782 345 HB3 PHE 49 2HB PHE 49 2.288 -1.269 5.530 346 HD1 PHE 49 1HD PHE 49 3.901 1.907 4.703 347 HD2 PHE 49 2HD PHE 49 0.488 -0.534 4.074 348 HE1 PHE 49 1HE PHE 49 3.263 3.310 2.722 349 HE2 PHE 49 2HE PHE 49 -0.150 0.869 2.093 350 HZ PHE 49 HZ PHE 49 1.245 2.775 1.441 351 H GLU 50 H GLU 50 -0.453 -0.478 7.036 352 HA GLU 50 HA GLU 50 0.099 -2.987 8.318 353 HB2 GLU 50 1HB GLU 50 -1.950 -1.138 9.593 354 HB3 GLU 50 2HB GLU 50 -1.335 -2.655 10.220 355 HG2 GLU 50 1HG GLU 50 0.965 -1.605 10.380 356 HG3 GLU 50 2HG GLU 50 0.272 -0.081 9.864 357 HE2 GLU 50 HE GLU 50 -1.436 0.459 12.839 358 H GLU 51 H GLU 51 -2.773 -3.358 9.041 359 HA GLU 51 HA GLU 51 -4.715 -3.837 8.161 360 HB2 GLU 51 1HB GLU 51 -4.053 -2.626 5.470 361 HB3 GLU 51 2HB GLU 51 -5.603 -2.714 6.283 362 HG2 GLU 51 1HG GLU 51 -3.281 -0.848 6.843 363 HG3 GLU 51 2HG GLU 51 -4.959 -0.442 6.540 364 HE2 GLU 51 HE GLU 51 -3.939 -0.495 10.185 365 H LEU 52 H LEU 52 -5.325 -4.611 5.376 366 HA LEU 52 HA LEU 52 -3.408 -6.795 4.997 367 HB2 LEU 52 1HB LEU 52 -6.377 -6.955 5.376 368 HB3 LEU 52 2HB LEU 52 -5.558 -8.129 4.364 369 HG LEU 52 HG LEU 52 -4.109 -8.755 6.274 370 HD11 LEU 52 1HD1 LEU 52 -3.858 -7.246 7.897 371 HD12 LEU 52 2HD1 LEU 52 -5.368 -6.404 7.474 372 HD13 LEU 52 3HD1 LEU 52 -5.414 -7.839 8.526 373 HD21 LEU 52 3HD2 LEU 52 -6.297 -9.893 5.726 374 HD22 LEU 52 1HD2 LEU 52 -5.710 -10.098 7.394 375 HD23 LEU 52 2HD2 LEU 52 -7.025 -8.950 7.049 376 H ALA 53 H ALA 53 -4.010 -7.916 2.743 377 HA ALA 53 HA ALA 53 -5.105 -6.096 0.820 378 HB1 ALA 53 1HB ALA 53 -2.123 -6.716 0.784 379 HB2 ALA 53 2HB ALA 53 -3.025 -5.834 -0.472 380 HB3 ALA 53 3HB ALA 53 -2.848 -5.133 1.155 381 H SER 54 H SER 54 -4.525 -7.149 -1.515 382 HA SER 54 HA SER 54 -4.767 -8.846 -2.846 383 HB2 SER 54 1HB SER 54 -2.716 -9.771 -1.888 384 HB3 SER 54 2HB SER 54 -3.597 -10.450 -0.534 385 HG SER 54 HG SER 54 -3.021 -11.733 -2.723 386 H GLU 55 H GLU 55 -6.668 -9.838 -3.477 387 HA GLU 55 HA GLU 55 -8.647 -10.201 -1.461 388 HB2 GLU 55 1HB GLU 55 -10.139 -10.716 -3.397 389 HB3 GLU 55 2HB GLU 55 -9.286 -9.198 -3.592 390 HG2 GLU 55 1HG GLU 55 -8.224 -9.932 -5.464 391 HG3 GLU 55 2HG GLU 55 -7.692 -11.402 -4.671 392 HE2 GLU 55 HE GLU 55 -9.945 -13.404 -5.982 393 H ALA 56 H ALA 56 -9.470 -12.139 -0.653 394 HA ALA 56 HA ALA 56 -8.784 -14.619 -1.938 395 HB1 ALA 56 1HB ALA 56 -6.827 -14.781 -0.779 396 HB2 ALA 56 2HB ALA 56 -7.326 -13.581 0.436 397 HB3 ALA 56 3HB ALA 56 -7.898 -15.262 0.559 398 H LYS 57 H LYS 57 -9.580 -16.469 -0.201 399 HA LYS 57 HA LYS 57 -11.516 -17.380 0.441 400 HB2 LYS 57 1HB LYS 57 -10.680 -15.336 2.385 401 HB3 LYS 57 2HB LYS 57 -12.364 -15.795 2.534 402 HG2 LYS 57 1HG LYS 57 -11.822 -18.118 2.848 403 HG3 LYS 57 2HG LYS 57 -10.181 -17.899 2.273 404 HD2 LYS 57 1HD LYS 57 -9.432 -17.264 4.330 405 HD3 LYS 57 2HD LYS 57 -10.752 -16.134 4.553 406 HE2 LYS 57 1HE LYS 57 -12.025 -17.642 5.737 407 HE3 LYS 57 2HE LYS 57 -11.575 -18.989 4.711 408 HZ1 LYS 57 2HZ LYS 57 -10.401 -18.183 7.184 409 HZ3 LYS 57 1HZ LYS 57 -9.257 -18.322 6.033 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -11.357 -9.386 -0.224 2 HA2 GLY 1 1HA GLY 1 -9.230 -7.842 -1.364 3 HA3 GLY 1 2HA GLY 1 -10.944 -7.477 -1.369 4 HA PRO 2 HA PRO 2 -9.165 -5.589 2.627 5 HB2 PRO 2 2HB PRO 2 -6.693 -6.258 3.522 6 HB3 PRO 2 3HB PRO 2 -8.071 -7.398 3.656 7 HG2 PRO 2 2HG PRO 2 -6.033 -7.183 1.893 8 HG3 PRO 2 3HG PRO 2 -6.449 -8.917 2.090 9 HD2 PRO 2 2HD PRO 2 -7.085 -7.476 -0.172 10 HD3 PRO 2 3HD PRO 2 -8.157 -8.764 0.459 11 H ARG 3 H ARG 3 -7.915 -3.596 3.125 12 HA ARG 3 HA ARG 3 -6.038 -2.904 1.034 13 HB2 ARG 3 1HB ARG 3 -7.683 -0.592 1.790 14 HB3 ARG 3 2HB ARG 3 -7.303 -1.197 0.189 15 HG2 ARG 3 1HG ARG 3 -9.660 -1.445 0.337 16 HG3 ARG 3 2HG ARG 3 -9.055 -3.060 0.647 17 HD2 ARG 3 1HD ARG 3 -9.830 -3.065 2.803 18 HD3 ARG 3 2HD ARG 3 -9.245 -1.443 3.115 19 HE ARG 3 HE ARG 3 -11.607 -1.586 1.355 20 HH11 ARG 3 2HH2 ARG 3 -10.429 -1.201 4.674 21 HH12 ARG 3 1HH2 ARG 3 -11.888 -0.457 5.238 22 HH22 ARG 3 1HH ARG 3 -13.700 -0.116 3.706 23 H MET 4 H MET 4 -4.410 -1.372 1.723 24 HA MET 4 HA MET 4 -4.342 -1.096 4.611 25 HB2 MET 4 1HB MET 4 -2.082 -0.501 2.641 26 HB3 MET 4 2HB MET 4 -1.935 -0.907 4.340 27 HG2 MET 4 1HG MET 4 -3.013 -3.194 3.725 28 HG3 MET 4 2HG MET 4 -2.731 -2.757 2.052 29 HE1 MET 4 3HE MET 4 -1.563 -4.508 4.940 30 HE2 MET 4 1HE MET 4 -1.352 -5.392 3.410 31 HE3 MET 4 2HE MET 4 0.061 -5.029 4.431 32 H GLN 5 H GLN 5 -3.146 1.000 5.402 33 HA GLN 5 HA GLN 5 -3.740 3.238 3.676 34 HB2 GLN 5 1HB GLN 5 -5.006 2.746 6.385 35 HB3 GLN 5 2HB GLN 5 -4.764 4.383 5.811 36 HG2 GLN 5 1HG GLN 5 -6.568 4.229 4.446 37 HG3 GLN 5 2HG GLN 5 -5.902 2.813 3.656 38 HE21 GLN 5 1HE2 GLN 5 -6.058 0.744 4.905 39 HE22 GLN 5 2HE2 GLN 5 -7.534 0.410 5.748 40 H CYS 6 H CYS 6 -1.844 4.353 3.569 41 HA CYS 6 HA CYS 6 0.259 3.930 5.315 42 HB2 CYS 6 1HB CYS 6 1.435 5.485 4.063 43 HB3 CYS 6 2HB CYS 6 0.218 4.950 2.922 44 H SER 7 H SER 7 0.754 4.798 7.323 45 HA SER 7 HA SER 7 -1.194 6.619 8.407 46 HB2 SER 7 1HB SER 7 1.186 5.415 9.867 47 HB3 SER 7 2HB SER 7 -0.298 6.033 10.564 48 HG SER 7 HG SER 7 0.227 3.535 9.351 49 H VAL 8 H VAL 8 -0.055 8.140 6.600 50 HA VAL 8 HA VAL 8 1.643 9.904 8.138 51 HB VAL 8 HB VAL 8 2.515 8.558 5.582 52 HG11 VAL 8 1HG1 VAL 8 2.924 10.895 5.222 53 HG12 VAL 8 2HG1 VAL 8 3.588 11.091 6.862 54 HG13 VAL 8 3HG1 VAL 8 4.475 10.133 5.651 55 HG21 VAL 8 3HG2 VAL 8 4.649 8.329 7.045 56 HG22 VAL 8 1HG2 VAL 8 3.561 8.685 8.407 57 HG23 VAL 8 2HG2 VAL 8 3.261 7.265 7.376 58 H CYS 9 H CYS 9 0.466 9.295 4.747 59 HA CYS 9 HA CYS 9 -0.669 11.995 4.863 60 HB2 CYS 9 1HB CYS 9 -0.073 12.415 2.670 61 HB3 CYS 9 2HB CYS 9 1.305 11.488 3.230 62 H GLN 10 H GLN 10 -1.400 8.810 5.212 63 HA GLN 10 HA GLN 10 -3.165 7.571 4.968 64 HB2 GLN 10 1HB GLN 10 -4.572 9.090 6.036 65 HB3 GLN 10 2HB GLN 10 -4.347 10.331 4.819 66 HG2 GLN 10 1HG GLN 10 -6.617 9.441 4.626 67 HG3 GLN 10 2HG GLN 10 -5.708 8.979 3.201 68 HE21 GLN 10 1HE2 GLN 10 -7.399 7.944 5.991 69 HE22 GLN 10 2HE2 GLN 10 -7.253 6.230 5.786 70 H TRP 11 H TRP 11 -2.973 6.205 3.232 71 HA TRP 11 HA TRP 11 -4.120 7.124 0.720 72 HB2 TRP 11 1HB TRP 11 -1.678 7.597 0.614 73 HB3 TRP 11 2HB TRP 11 -1.364 5.891 0.859 74 HD1 TRP 11 HD TRP 11 -3.063 8.197 -1.780 75 HE1 TRP 11 1HE TRP 11 -2.970 7.098 -4.177 76 HE3 TRP 11 3HE TRP 11 -1.041 3.789 -0.255 77 HZ2 TRP 11 2HZ TRP 11 -2.080 4.565 -5.145 78 HZ3 TRP 11 3HZ TRP 11 -0.591 2.056 -1.989 79 HH2 TRP 11 HH TRP 11 -1.077 2.388 -4.361 80 H ILE 12 H ILE 12 -5.646 5.607 0.239 81 HA ILE 12 HA ILE 12 -5.509 3.044 1.539 82 HB ILE 12 HB ILE 12 -7.536 4.201 -0.377 83 HG12 ILE 12 1HG1 ILE 12 -7.215 4.369 2.604 84 HG13 ILE 12 2HG1 ILE 12 -7.627 5.628 1.456 85 HG21 ILE 12 1HG2 ILE 12 -7.341 1.630 -0.037 86 HG22 ILE 12 2HG2 ILE 12 -8.059 1.963 1.557 87 HG23 ILE 12 3HG2 ILE 12 -8.935 2.415 0.075 88 HD11 ILE 12 3HD1 ILE 12 -9.723 5.223 2.385 89 HD12 ILE 12 1HD1 ILE 12 -9.769 4.081 1.020 90 HD13 ILE 12 2HD1 ILE 12 -9.385 3.497 2.657 91 H TYR 13 H TYR 13 -5.082 1.114 0.638 92 HA TYR 13 HA TYR 13 -4.105 1.166 -2.179 93 HB2 TYR 13 1HB TYR 13 -2.310 0.771 -0.609 94 HB3 TYR 13 2HB TYR 13 -3.252 -0.476 0.226 95 HD1 TYR 13 2HD TYR 13 -3.704 -2.658 -0.892 96 HD2 TYR 13 1HD TYR 13 -1.083 0.283 -2.603 97 HE1 TYR 13 2HE TYR 13 -2.735 -4.388 -2.381 98 HE2 TYR 13 1HE TYR 13 -0.114 -1.446 -4.093 99 HH TYR 13 HH TYR 13 -1.131 -3.905 -5.061 100 H ASP 14 H ASP 14 -5.950 0.483 -3.340 101 HA ASP 14 HA ASP 14 -7.370 -1.774 -2.249 102 HB2 ASP 14 1HB ASP 14 -8.503 0.272 -3.299 103 HB3 ASP 14 2HB ASP 14 -7.871 -0.252 -4.847 104 HD2 ASP 14 HD ASP 14 -10.209 -3.082 -3.426 105 HA PRO 15 HA PRO 15 -4.618 -4.408 -4.665 106 HB2 PRO 15 2HB PRO 15 -6.695 -6.424 -3.824 107 HB3 PRO 15 3HB PRO 15 -4.913 -6.425 -3.617 108 HG2 PRO 15 2HG PRO 15 -6.583 -5.915 -1.508 109 HG3 PRO 15 3HG PRO 15 -4.963 -5.211 -1.821 110 HD2 PRO 15 2HD PRO 15 -7.746 -4.046 -2.307 111 HD3 PRO 15 3HD PRO 15 -6.293 -3.246 -1.634 112 H ALA 16 H ALA 16 -8.058 -3.708 -5.072 113 HA ALA 16 HA ALA 16 -8.262 -5.312 -7.460 114 HB1 ALA 16 1HB ALA 16 -10.539 -4.619 -7.465 115 HB2 ALA 16 2HB ALA 16 -10.117 -4.831 -5.749 116 HB3 ALA 16 3HB ALA 16 -10.192 -3.198 -6.453 117 H LYS 17 H LYS 17 -6.631 -2.516 -6.699 118 HA LYS 17 HA LYS 17 -6.848 -1.603 -9.465 119 HB2 LYS 17 1HB LYS 17 -6.612 0.521 -7.397 120 HB3 LYS 17 2HB LYS 17 -7.377 0.559 -8.973 121 HG2 LYS 17 1HG LYS 17 -8.498 -0.982 -6.586 122 HG3 LYS 17 2HG LYS 17 -8.993 0.644 -7.009 123 HD2 LYS 17 1HD LYS 17 -9.112 -1.032 -9.383 124 HD3 LYS 17 2HD LYS 17 -9.978 -1.822 -8.081 125 HE2 LYS 17 1HE LYS 17 -11.488 0.004 -7.802 126 HE3 LYS 17 2HE LYS 17 -10.431 1.130 -8.631 127 HZ1 LYS 17 2HZ LYS 17 -11.290 0.514 -10.611 128 HZ3 LYS 17 1HZ LYS 17 -12.486 -0.229 -9.794 129 H GLY 18 H GLY 18 -5.128 -1.076 -6.304 130 HA2 GLY 18 1HA GLY 18 -2.938 -0.719 -5.883 131 HA3 GLY 18 2HA GLY 18 -2.704 -2.102 -6.934 132 H GLU 19 H GLU 19 -0.597 -0.970 -7.426 133 HA GLU 19 HA GLU 19 -1.070 1.009 -9.517 134 HB2 GLU 19 1HB GLU 19 0.924 0.990 -7.263 135 HB3 GLU 19 2HB GLU 19 1.435 1.671 -8.795 136 HG2 GLU 19 1HG GLU 19 -1.048 2.513 -7.224 137 HG3 GLU 19 2HG GLU 19 0.457 3.408 -7.300 138 HE2 GLU 19 HE GLU 19 0.025 4.714 -10.329 139 HA PRO 20 HA PRO 20 0.740 -3.123 -10.984 140 HB2 PRO 20 2HB PRO 20 -0.604 -2.582 -13.460 141 HB3 PRO 20 3HB PRO 20 -1.117 -3.707 -12.159 142 HG2 PRO 20 2HG PRO 20 -1.651 -1.101 -12.686 143 HG3 PRO 20 3HG PRO 20 -3.153 -1.887 -12.099 144 HD2 PRO 20 2HD PRO 20 -2.135 -0.434 -10.296 145 HD3 PRO 20 3HD PRO 20 -1.985 -2.161 -9.848 146 H MET 21 H MET 21 0.665 0.297 -11.978 147 HA MET 21 HA MET 21 2.747 -0.221 -13.913 148 HB2 MET 21 1HB MET 21 0.963 2.116 -13.154 149 HB3 MET 21 2HB MET 21 2.454 2.463 -14.006 150 HG2 MET 21 1HG MET 21 0.557 2.171 -15.593 151 HG3 MET 21 2HG MET 21 1.796 0.961 -15.860 152 HE1 MET 21 3HE MET 21 -2.306 0.410 -13.922 153 HE2 MET 21 1HE MET 21 -0.991 0.877 -12.816 154 HE3 MET 21 2HE MET 21 -1.408 1.922 -14.195 155 H GLN 22 H GLN 22 3.135 -0.579 -10.931 156 HA GLN 22 HA GLN 22 5.454 1.148 -10.774 157 HB2 GLN 22 1HB GLN 22 3.590 2.206 -9.448 158 HB3 GLN 22 2HB GLN 22 3.510 0.765 -8.455 159 HG2 GLN 22 1HG GLN 22 5.494 1.235 -7.352 160 HG3 GLN 22 2HG GLN 22 6.233 1.970 -8.761 161 HE21 GLN 22 1HE2 GLN 22 4.043 2.413 -6.073 162 HE22 GLN 22 2HE2 GLN 22 4.013 4.145 -6.060 163 H ASP 23 H ASP 23 4.662 -1.809 -11.291 164 HA ASP 23 HA ASP 23 5.846 -3.648 -11.020 165 HB2 ASP 23 1HB ASP 23 7.059 -2.636 -8.424 166 HB3 ASP 23 2HB ASP 23 7.693 -3.867 -9.498 167 HD2 ASP 23 HD ASP 23 9.006 -1.435 -11.725 168 H VAL 24 H VAL 24 3.255 -2.698 -9.691 169 HA VAL 24 HA VAL 24 2.980 -4.962 -7.905 170 HB VAL 24 HB VAL 24 2.235 -2.167 -7.030 171 HG11 VAL 24 1HG1 VAL 24 2.372 -4.635 -5.297 172 HG12 VAL 24 2HG1 VAL 24 1.521 -3.100 -5.003 173 HG13 VAL 24 3HG1 VAL 24 0.909 -4.237 -6.228 174 HG21 VAL 24 3HG2 VAL 24 4.067 -2.549 -5.300 175 HG22 VAL 24 1HG2 VAL 24 4.633 -3.881 -6.336 176 HG23 VAL 24 2HG2 VAL 24 4.606 -2.215 -6.963 177 H ALA 25 H ALA 25 1.539 -5.978 -9.278 178 HA ALA 25 HA ALA 25 -0.607 -4.415 -10.432 179 HB1 ALA 25 1HB ALA 25 -0.099 -7.406 -10.611 180 HB2 ALA 25 2HB ALA 25 -1.053 -6.390 -11.719 181 HB3 ALA 25 3HB ALA 25 0.717 -6.215 -11.651 182 HA PRO 26 HA PRO 26 -3.888 -5.006 -7.651 183 HB2 PRO 26 2HB PRO 26 -5.233 -6.617 -9.844 184 HB3 PRO 26 3HB PRO 26 -5.845 -5.249 -8.859 185 HG2 PRO 26 2HG PRO 26 -5.005 -4.861 -11.369 186 HG3 PRO 26 3HG PRO 26 -4.781 -3.622 -10.091 187 HD2 PRO 26 2HD PRO 26 -2.793 -5.496 -11.379 188 HD3 PRO 26 3HD PRO 26 -2.520 -3.894 -10.630 189 H GLY 27 H GLY 27 -5.161 -6.790 -6.473 190 HA2 GLY 27 1HA GLY 27 -5.022 -8.700 -5.280 191 HA3 GLY 27 2HA GLY 27 -4.927 -9.470 -6.852 192 H THR 28 H THR 28 -2.667 -7.424 -4.855 193 HA THR 28 HA THR 28 -0.693 -9.591 -5.128 194 HB THR 28 HB THR 28 -0.441 -6.587 -5.586 195 HG1 THR 28 1HG THR 28 0.236 -7.445 -7.594 196 HG21 THR 28 3HG2 THR 28 1.473 -8.127 -4.173 197 HG22 THR 28 1HG2 THR 28 2.030 -8.156 -5.864 198 HG23 THR 28 2HG2 THR 28 1.782 -6.600 -5.035 199 HA PRO 29 HA PRO 29 -1.464 -9.608 -0.729 200 HB2 PRO 29 2HB PRO 29 0.973 -11.388 -1.175 201 HB3 PRO 29 3HB PRO 29 -0.437 -11.601 -0.086 202 HG2 PRO 29 2HG PRO 29 -0.679 -12.957 -2.623 203 HG3 PRO 29 3HG PRO 29 -1.706 -11.911 -1.590 204 HD2 PRO 29 2HD PRO 29 -0.005 -11.115 -4.035 205 HD3 PRO 29 3HD PRO 29 -1.781 -10.982 -3.862 206 H TRP 30 H TRP 30 -0.675 -8.040 0.676 207 HA TRP 30 HA TRP 30 1.297 -6.291 0.048 208 HB2 TRP 30 1HB TRP 30 -0.271 -5.921 1.838 209 HB3 TRP 30 2HB TRP 30 0.397 -7.247 2.769 210 HD1 TRP 30 HD TRP 30 2.317 -6.593 4.445 211 HE1 TRP 30 1HE TRP 30 3.806 -4.484 4.989 212 HE3 TRP 30 3HE TRP 30 0.819 -3.848 0.436 213 HZ2 TRP 30 2HZ TRP 30 4.182 -1.960 3.711 214 HZ3 TRP 30 3HZ TRP 30 1.795 -1.571 0.158 215 HH2 TRP 30 HH TRP 30 3.421 -0.620 1.714 216 H SER 31 H SER 31 1.540 -9.618 1.241 217 HA SER 31 HA SER 31 4.175 -9.422 2.160 218 HB2 SER 31 1HB SER 31 2.973 -11.277 2.975 219 HB3 SER 31 2HB SER 31 2.319 -11.681 1.400 220 HG SER 31 HG SER 31 5.154 -11.829 1.835 221 H GLU 32 H GLU 32 2.658 -10.389 -0.975 222 HA GLU 32 HA GLU 32 5.045 -11.175 -2.173 223 HB2 GLU 32 1HB GLU 32 2.317 -10.360 -3.201 224 HB3 GLU 32 2HB GLU 32 3.620 -10.658 -4.334 225 HG2 GLU 32 1HG GLU 32 3.661 -12.815 -2.439 226 HG3 GLU 32 2HG GLU 32 1.988 -12.584 -2.907 227 HE2 GLU 32 HE GLU 32 1.667 -14.041 -4.719 228 H VAL 33 H VAL 33 3.433 -8.027 -1.744 229 HA VAL 33 HA VAL 33 4.667 -6.548 -3.696 230 HB VAL 33 HB VAL 33 3.811 -5.872 -0.882 231 HG11 VAL 33 1HG1 VAL 33 5.064 -4.008 -1.130 232 HG12 VAL 33 2HG1 VAL 33 5.211 -4.214 -2.892 233 HG13 VAL 33 3HG1 VAL 33 3.742 -3.485 -2.200 234 HG21 VAL 33 3HG2 VAL 33 2.373 -4.810 -3.246 235 HG22 VAL 33 1HG2 VAL 33 2.280 -6.573 -3.015 236 HG23 VAL 33 2HG2 VAL 33 1.746 -5.477 -1.719 237 HA PRO 34 HA PRO 34 8.952 -7.270 -2.777 238 HB2 PRO 34 2HB PRO 34 9.153 -4.923 -4.666 239 HB3 PRO 34 3HB PRO 34 9.943 -6.533 -4.712 240 HG2 PRO 34 2HG PRO 34 7.888 -6.039 -6.380 241 HG3 PRO 34 3HG PRO 34 8.223 -7.623 -5.607 242 HD2 PRO 34 2HD PRO 34 6.186 -5.470 -4.896 243 HD3 PRO 34 3HD PRO 34 6.012 -7.251 -4.847 244 H ASP 35 H ASP 35 10.052 -6.437 -1.001 245 HA ASP 35 HA ASP 35 9.103 -4.246 0.337 246 HB2 ASP 35 1HB ASP 35 10.538 -5.974 1.363 247 HB3 ASP 35 2HB ASP 35 11.883 -5.510 0.341 248 HD2 ASP 35 HD ASP 35 12.575 -3.163 0.762 249 H ASN 36 H ASN 36 9.281 -2.058 -0.176 250 HA ASN 36 HA ASN 36 11.375 -0.595 -0.573 251 HB2 ASN 36 1HB ASN 36 12.377 -1.690 -2.419 252 HB3 ASN 36 2HB ASN 36 10.836 -2.098 -3.146 253 HD21 ASN 36 1HD2 ASN 36 9.625 -0.504 -4.229 254 HD22 ASN 36 2HD2 ASN 36 10.359 0.919 -4.888 255 H PHE 37 H PHE 37 8.511 -1.457 -2.660 256 HA PHE 37 HA PHE 37 7.636 0.816 -3.610 257 HB2 PHE 37 1HB PHE 37 6.388 -1.340 -3.645 258 HB3 PHE 37 2HB PHE 37 6.112 -1.249 -1.917 259 HD1 PHE 37 2HD PHE 37 4.557 0.501 -1.016 260 HD2 PHE 37 1HD PHE 37 4.934 -0.257 -5.175 261 HE1 PHE 37 2HE PHE 37 2.371 1.665 -1.426 262 HE2 PHE 37 1HE PHE 37 2.748 0.906 -5.585 263 HZ PHE 37 HZ PHE 37 1.493 1.853 -3.706 264 H LEU 38 H LEU 38 7.185 2.867 -2.956 265 HA LEU 38 HA LEU 38 6.603 3.225 -0.097 266 HB2 LEU 38 1HB LEU 38 7.922 5.306 -1.811 267 HB3 LEU 38 2HB LEU 38 7.853 5.197 -0.064 268 HG LEU 38 HG LEU 38 9.362 3.204 -1.767 269 HD11 LEU 38 1HD1 LEU 38 11.321 4.703 -0.646 270 HD12 LEU 38 2HD1 LEU 38 10.696 4.937 -2.296 271 HD13 LEU 38 3HD1 LEU 38 10.094 5.953 -0.965 272 HD21 LEU 38 3HD2 LEU 38 8.725 2.505 0.527 273 HD22 LEU 38 1HD2 LEU 38 10.485 2.607 0.279 274 HD23 LEU 38 2HD2 LEU 38 9.636 3.893 1.170 275 H CYS 39 H CYS 39 4.979 4.755 0.462 276 HA CYS 39 HA CYS 39 2.835 4.830 -1.292 277 HB2 CYS 39 1HB CYS 39 2.306 5.000 0.985 278 HB3 CYS 39 2HB CYS 39 3.476 6.272 1.276 279 HA PRO 40 HA PRO 40 4.294 8.122 -3.923 280 HB2 PRO 40 2HB PRO 40 2.142 8.162 -5.600 281 HB3 PRO 40 3HB PRO 40 3.305 6.796 -5.580 282 HG2 PRO 40 2HG PRO 40 0.901 7.168 -4.261 283 HG3 PRO 40 3HG PRO 40 1.105 5.607 -5.121 284 HD2 PRO 40 2HD PRO 40 1.424 5.592 -2.501 285 HD3 PRO 40 3HD PRO 40 2.758 4.890 -3.466 286 H GLU 41 H GLU 41 4.086 9.628 -1.960 287 HA GLU 41 HA GLU 41 2.740 11.829 -2.485 288 HB2 GLU 41 1HB GLU 41 0.813 9.812 -1.645 289 HB3 GLU 41 2HB GLU 41 0.811 11.145 -0.508 290 HG2 GLU 41 1HG GLU 41 0.349 11.275 -3.517 291 HG3 GLU 41 2HG GLU 41 -0.783 11.692 -2.247 292 HE2 GLU 41 HE GLU 41 0.473 13.262 -0.689 293 H CYS 42 H CYS 42 3.881 9.477 -0.145 294 HA CYS 42 HA CYS 42 4.897 11.669 1.454 295 HB2 CYS 42 1HB CYS 42 4.110 10.855 3.544 296 HB3 CYS 42 2HB CYS 42 2.712 10.954 2.491 297 H SER 43 H SER 43 4.620 8.104 0.860 298 HA SER 43 HA SER 43 6.245 6.676 0.410 299 HB2 SER 43 1HB SER 43 8.481 8.341 1.532 300 HB3 SER 43 2HB SER 43 8.486 7.261 0.153 301 HG SER 43 HG SER 43 7.773 8.841 -1.160 302 H LEU 44 H LEU 44 6.637 4.913 1.741 303 HA LEU 44 HA LEU 44 7.269 5.471 4.540 304 HB2 LEU 44 1HB LEU 44 4.723 4.776 3.685 305 HB3 LEU 44 2HB LEU 44 5.410 3.251 4.207 306 HG LEU 44 HG LEU 44 5.970 4.294 6.406 307 HD11 LEU 44 1HD1 LEU 44 5.304 6.433 7.030 308 HD12 LEU 44 2HD1 LEU 44 5.923 6.665 5.377 309 HD13 LEU 44 3HD1 LEU 44 4.169 6.590 5.668 310 HD21 LEU 44 3HD2 LEU 44 3.599 4.391 7.220 311 HD22 LEU 44 1HD2 LEU 44 3.075 4.256 5.524 312 HD23 LEU 44 2HD2 LEU 44 4.010 2.940 6.274 313 H GLY 45 H GLY 45 8.245 3.587 5.648 314 HA2 GLY 45 1HA GLY 45 10.047 2.220 3.862 315 HA3 GLY 45 2HA GLY 45 10.016 2.160 5.613 316 H LYS 46 H LYS 46 6.853 1.669 4.418 317 HA LYS 46 HA LYS 46 5.560 -0.102 4.130 318 HB2 LYS 46 1HB LYS 46 8.146 -1.576 3.550 319 HB3 LYS 46 2HB LYS 46 6.547 -2.263 3.349 320 HG2 LYS 46 1HG LYS 46 6.505 0.289 2.044 321 HG3 LYS 46 2HG LYS 46 7.998 -0.492 1.563 322 HD2 LYS 46 1HD LYS 46 5.295 -1.903 1.460 323 HD3 LYS 46 2HD LYS 46 5.943 -1.000 0.105 324 HE2 LYS 46 1HE LYS 46 7.280 -2.736 -0.488 325 HE3 LYS 46 2HE LYS 46 8.006 -2.781 1.106 326 HZ1 LYS 46 2HZ LYS 46 6.262 -4.217 1.871 327 HZ3 LYS 46 1HZ LYS 46 6.771 -4.849 0.459 328 H ASP 47 H ASP 47 7.543 0.526 6.644 329 HA ASP 47 HA ASP 47 7.107 -1.931 8.060 330 HB2 ASP 47 1HB ASP 47 8.433 -0.926 9.820 331 HB3 ASP 47 2HB ASP 47 9.213 -0.551 8.296 332 HD2 ASP 47 HD ASP 47 7.924 1.613 11.040 333 H VAL 48 H VAL 48 6.244 1.600 8.281 334 HA VAL 48 HA VAL 48 4.554 1.353 10.493 335 HB VAL 48 HB VAL 48 4.921 3.352 8.282 336 HG11 VAL 48 1HG1 VAL 48 2.578 3.537 8.690 337 HG12 VAL 48 2HG1 VAL 48 2.804 3.406 10.451 338 HG13 VAL 48 3HG1 VAL 48 3.361 4.860 9.588 339 HG21 VAL 48 3HG2 VAL 48 5.645 3.121 11.185 340 HG22 VAL 48 1HG2 VAL 48 6.636 3.633 9.798 341 HG23 VAL 48 2HG2 VAL 48 5.414 4.737 10.474 342 H PHE 49 H PHE 49 3.989 1.116 6.941 343 HA PHE 49 HA PHE 49 1.371 1.177 6.668 344 HB2 PHE 49 1HB PHE 49 3.652 -0.332 5.571 345 HB3 PHE 49 2HB PHE 49 2.206 -1.320 5.492 346 HD1 PHE 49 1HD PHE 49 3.714 1.858 4.388 347 HD2 PHE 49 2HD PHE 49 0.465 -0.834 3.937 348 HE1 PHE 49 1HE PHE 49 3.000 3.068 2.308 349 HE2 PHE 49 2HE PHE 49 -0.249 0.376 1.857 350 HZ PHE 49 HZ PHE 49 1.027 2.313 1.067 351 H GLU 50 H GLU 50 -0.493 0.015 7.166 352 HA GLU 50 HA GLU 50 -0.063 -2.405 8.726 353 HB2 GLU 50 1HB GLU 50 -1.915 -1.711 10.248 354 HB3 GLU 50 2HB GLU 50 -0.541 -0.627 10.332 355 HG2 GLU 50 1HG GLU 50 -2.394 0.240 8.239 356 HG3 GLU 50 2HG GLU 50 -3.238 0.063 9.765 357 HE2 GLU 50 HE GLU 50 0.000 0.944 9.122 358 H GLU 51 H GLU 51 -2.588 -3.320 9.121 359 HA GLU 51 HA GLU 51 -4.438 -4.069 8.216 360 HB2 GLU 51 1HB GLU 51 -4.056 -2.658 5.577 361 HB3 GLU 51 2HB GLU 51 -5.542 -3.009 6.437 362 HG2 GLU 51 1HG GLU 51 -4.162 -1.364 8.235 363 HG3 GLU 51 2HG GLU 51 -3.739 -0.677 6.679 364 HE2 GLU 51 HE GLU 51 -5.595 0.383 8.684 365 H LEU 52 H LEU 52 -4.794 -4.668 5.272 366 HA LEU 52 HA LEU 52 -2.504 -6.356 4.709 367 HB2 LEU 52 1HB LEU 52 -4.370 -8.201 4.258 368 HB3 LEU 52 2HB LEU 52 -3.472 -8.075 5.758 369 HG LEU 52 HG LEU 52 -6.048 -6.572 5.545 370 HD11 LEU 52 1HD1 LEU 52 -6.230 -9.040 4.638 371 HD12 LEU 52 2HD1 LEU 52 -6.188 -9.444 6.371 372 HD13 LEU 52 3HD1 LEU 52 -7.457 -8.368 5.738 373 HD21 LEU 52 3HD2 LEU 52 -4.185 -7.096 7.561 374 HD22 LEU 52 1HD2 LEU 52 -5.797 -6.363 7.742 375 HD23 LEU 52 2HD2 LEU 52 -5.588 -8.119 7.951 376 H ALA 53 H ALA 53 -3.255 -7.687 2.521 377 HA ALA 53 HA ALA 53 -4.830 -5.916 0.842 378 HB1 ALA 53 1HB ALA 53 -2.858 -4.855 0.302 379 HB2 ALA 53 2HB ALA 53 -1.858 -6.273 0.697 380 HB3 ALA 53 3HB ALA 53 -2.761 -6.219 -0.836 381 H SER 54 H SER 54 -4.459 -7.056 -1.603 382 HA SER 54 HA SER 54 -5.142 -8.733 -2.804 383 HB2 SER 54 1HB SER 54 -2.950 -9.660 -2.458 384 HB3 SER 54 2HB SER 54 -3.351 -10.213 -0.844 385 HG SER 54 HG SER 54 -5.065 -11.262 -2.781 386 H GLU 55 H GLU 55 -4.960 -11.029 -0.090 387 HA GLU 55 HA GLU 55 -7.761 -10.705 0.468 388 HB2 GLU 55 1HB GLU 55 -8.310 -13.068 -0.004 389 HB3 GLU 55 2HB GLU 55 -7.784 -12.244 -1.458 390 HG2 GLU 55 1HG GLU 55 -5.375 -13.150 -0.728 391 HG3 GLU 55 2HG GLU 55 -6.315 -14.313 0.186 392 HE2 GLU 55 HE GLU 55 -5.416 -15.948 -1.913 393 H ALA 56 H ALA 56 -8.438 -12.186 2.345 394 HA ALA 56 HA ALA 56 -6.238 -12.236 4.234 395 HB1 ALA 56 1HB ALA 56 -7.966 -12.399 5.898 396 HB2 ALA 56 2HB ALA 56 -8.510 -11.201 4.698 397 HB3 ALA 56 3HB ALA 56 -9.182 -12.849 4.679 398 H LYS 57 H LYS 57 -6.592 -14.242 5.917 399 HA LYS 57 HA LYS 57 -6.668 -16.640 4.220 400 HB2 LYS 57 1HB LYS 57 -4.459 -15.589 5.556 401 HB3 LYS 57 2HB LYS 57 -5.019 -16.863 6.621 402 HG2 LYS 57 1HG LYS 57 -5.232 -18.037 4.087 403 HG3 LYS 57 2HG LYS 57 -3.782 -17.065 3.942 404 HD2 LYS 57 1HD LYS 57 -3.212 -18.139 6.331 405 HD3 LYS 57 2HD LYS 57 -4.340 -19.374 5.809 406 HE2 LYS 57 1HE LYS 57 -2.194 -20.139 5.071 407 HE3 LYS 57 2HE LYS 57 -2.981 -19.534 3.627 408 HZ1 LYS 57 2HZ LYS 57 -1.759 -17.434 3.918 409 HZ3 LYS 57 1HZ LYS 57 -0.715 -18.679 3.810 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -12.177 -7.767 -1.812 2 HA2 GLY 1 1HA GLY 1 -10.317 -8.365 -0.659 3 HA3 GLY 1 2HA GLY 1 -9.557 -7.221 -1.747 4 HA PRO 2 HA PRO 2 -9.121 -5.623 2.602 5 HB2 PRO 2 2HB PRO 2 -6.646 -6.533 3.274 6 HB3 PRO 2 3HB PRO 2 -8.099 -7.579 3.392 7 HG2 PRO 2 2HG PRO 2 -6.142 -7.358 1.530 8 HG3 PRO 2 3HG PRO 2 -6.738 -9.033 1.767 9 HD2 PRO 2 2HD PRO 2 -7.367 -7.525 -0.452 10 HD3 PRO 2 3HD PRO 2 -8.530 -8.684 0.261 11 H ARG 3 H ARG 3 -8.284 -3.525 2.871 12 HA ARG 3 HA ARG 3 -6.188 -2.828 0.974 13 HB2 ARG 3 1HB ARG 3 -7.951 -0.611 1.898 14 HB3 ARG 3 2HB ARG 3 -7.329 -0.938 0.293 15 HG2 ARG 3 1HG ARG 3 -9.628 -1.346 0.011 16 HG3 ARG 3 2HG ARG 3 -9.007 -2.961 0.288 17 HD2 ARG 3 1HD ARG 3 -10.186 -3.187 2.227 18 HD3 ARG 3 2HD ARG 3 -9.632 -1.638 2.833 19 HE ARG 3 HE ARG 3 -11.575 -1.226 0.742 20 HH11 ARG 3 2HH2 ARG 3 -11.338 -2.229 4.132 21 HH12 ARG 3 1HH2 ARG 3 -12.945 -1.717 4.525 22 HH22 ARG 3 1HH ARG 3 -14.313 -0.732 2.821 23 H MET 4 H MET 4 -4.536 -1.384 1.769 24 HA MET 4 HA MET 4 -4.524 -1.233 4.667 25 HB2 MET 4 1HB MET 4 -2.217 -0.648 2.744 26 HB3 MET 4 2HB MET 4 -2.098 -1.062 4.442 27 HG2 MET 4 1HG MET 4 -3.122 -3.335 3.885 28 HG3 MET 4 2HG MET 4 -3.022 -2.907 2.188 29 HE1 MET 4 3HE MET 4 -0.011 -5.038 4.453 30 HE2 MET 4 1HE MET 4 -1.721 -4.699 4.811 31 HE3 MET 4 2HE MET 4 -1.279 -5.579 3.328 32 H GLN 5 H GLN 5 -3.662 0.770 5.717 33 HA GLN 5 HA GLN 5 -4.029 3.109 4.028 34 HB2 GLN 5 1HB GLN 5 -5.348 2.525 6.699 35 HB3 GLN 5 2HB GLN 5 -5.122 4.173 6.147 36 HG2 GLN 5 1HG GLN 5 -6.964 3.993 4.843 37 HG3 GLN 5 2HG GLN 5 -6.194 2.714 3.926 38 HE21 GLN 5 1HE2 GLN 5 -6.198 0.527 4.969 39 HE22 GLN 5 2HE2 GLN 5 -7.648 0.006 5.761 40 H CYS 6 H CYS 6 -2.236 4.388 4.107 41 HA CYS 6 HA CYS 6 -0.214 3.820 6.016 42 HB2 CYS 6 1HB CYS 6 0.970 4.567 4.273 43 HB3 CYS 6 2HB CYS 6 -0.443 5.279 3.520 44 H SER 7 H SER 7 0.468 5.155 7.782 45 HA SER 7 HA SER 7 -1.609 6.977 8.650 46 HB2 SER 7 1HB SER 7 -0.855 6.609 10.861 47 HB3 SER 7 2HB SER 7 -0.683 5.041 10.098 48 HG SER 7 HG SER 7 1.393 5.112 10.576 49 H VAL 8 H VAL 8 -0.521 8.327 6.714 50 HA VAL 8 HA VAL 8 1.103 10.308 8.030 51 HB VAL 8 HB VAL 8 2.113 8.893 5.555 52 HG11 VAL 8 1HG1 VAL 8 3.830 10.738 7.141 53 HG12 VAL 8 2HG1 VAL 8 3.767 10.448 5.386 54 HG13 VAL 8 3HG1 VAL 8 2.541 11.479 6.163 55 HG21 VAL 8 3HG2 VAL 8 3.984 8.148 7.038 56 HG22 VAL 8 1HG2 VAL 8 3.068 8.764 8.434 57 HG23 VAL 8 2HG2 VAL 8 2.408 7.432 7.454 58 H CYS 9 H CYS 9 0.067 9.201 4.720 59 HA CYS 9 HA CYS 9 -0.968 11.907 4.327 60 HB2 CYS 9 1HB CYS 9 -0.762 11.543 1.955 61 HB3 CYS 9 2HB CYS 9 0.766 11.147 2.717 62 H GLN 10 H GLN 10 -1.694 8.467 4.629 63 HA GLN 10 HA GLN 10 -3.619 7.478 4.981 64 HB2 GLN 10 1HB GLN 10 -4.407 10.182 5.258 65 HB3 GLN 10 2HB GLN 10 -5.571 9.491 4.146 66 HG2 GLN 10 1HG GLN 10 -4.813 8.195 6.805 67 HG3 GLN 10 2HG GLN 10 -6.180 9.275 6.614 68 HE21 GLN 10 1HE2 GLN 10 -7.991 8.643 5.506 69 HE22 GLN 10 2HE2 GLN 10 -8.316 7.008 5.038 70 H TRP 11 H TRP 11 -2.409 6.747 2.801 71 HA TRP 11 HA TRP 11 -4.258 7.140 0.557 72 HB2 TRP 11 1HB TRP 11 -1.900 7.770 0.200 73 HB3 TRP 11 2HB TRP 11 -1.409 6.129 0.569 74 HD1 TRP 11 HD TRP 11 -3.453 8.034 -2.139 75 HE1 TRP 11 1HE TRP 11 -3.421 6.722 -4.429 76 HE3 TRP 11 3HE TRP 11 -1.006 3.946 -0.365 77 HZ2 TRP 11 2HZ TRP 11 -2.399 4.179 -5.223 78 HZ3 TRP 11 3HZ TRP 11 -0.529 2.093 -1.963 79 HH2 TRP 11 HH TRP 11 -1.184 2.163 -4.317 80 H ILE 12 H ILE 12 -5.773 5.543 0.398 81 HA ILE 12 HA ILE 12 -5.330 3.035 1.717 82 HB ILE 12 HB ILE 12 -7.627 3.855 -0.056 83 HG12 ILE 12 1HG1 ILE 12 -7.247 4.371 2.908 84 HG13 ILE 12 2HG1 ILE 12 -7.280 5.583 1.642 85 HG21 ILE 12 1HG2 ILE 12 -8.425 1.839 0.399 86 HG22 ILE 12 2HG2 ILE 12 -6.986 1.464 1.377 87 HG23 ILE 12 3HG2 ILE 12 -8.404 2.228 2.136 88 HD11 ILE 12 3HD1 ILE 12 -9.565 5.497 1.426 89 HD12 ILE 12 1HD1 ILE 12 -9.620 3.733 1.661 90 HD13 ILE 12 2HD1 ILE 12 -9.487 4.815 3.068 91 H TYR 13 H TYR 13 -4.551 1.243 0.880 92 HA TYR 13 HA TYR 13 -3.840 1.238 -1.988 93 HB2 TYR 13 1HB TYR 13 -2.060 0.733 -0.440 94 HB3 TYR 13 2HB TYR 13 -3.049 -0.488 0.378 95 HD1 TYR 13 2HD TYR 13 -3.547 -2.647 -0.730 96 HD2 TYR 13 1HD TYR 13 -0.905 0.245 -2.492 97 HE1 TYR 13 2HE TYR 13 -2.655 -4.390 -2.252 98 HE2 TYR 13 1HE TYR 13 -0.013 -1.497 -4.014 99 HH TYR 13 HH TYR 13 -0.661 -4.862 -3.636 100 H ASP 14 H ASP 14 -5.707 0.656 -3.169 101 HA ASP 14 HA ASP 14 -7.233 -1.555 -2.141 102 HB2 ASP 14 1HB ASP 14 -8.326 0.479 -3.150 103 HB3 ASP 14 2HB ASP 14 -7.573 0.102 -4.686 104 HD2 ASP 14 HD ASP 14 -10.323 -0.631 -5.537 105 HA PRO 15 HA PRO 15 -4.569 -4.349 -4.459 106 HB2 PRO 15 2HB PRO 15 -6.898 -6.174 -3.847 107 HB3 PRO 15 3HB PRO 15 -5.141 -6.381 -3.551 108 HG2 PRO 15 2HG PRO 15 -6.856 -5.768 -1.511 109 HG3 PRO 15 3HG PRO 15 -5.157 -5.233 -1.720 110 HD2 PRO 15 2HD PRO 15 -7.772 -3.750 -2.251 111 HD3 PRO 15 3HD PRO 15 -6.258 -3.138 -1.518 112 H ALA 16 H ALA 16 -7.997 -3.524 -5.045 113 HA ALA 16 HA ALA 16 -8.010 -4.903 -7.577 114 HB1 ALA 16 1HB ALA 16 -10.291 -4.049 -7.725 115 HB2 ALA 16 2HB ALA 16 -10.016 -4.718 -6.099 116 HB3 ALA 16 3HB ALA 16 -10.004 -2.956 -6.350 117 H LYS 17 H LYS 17 -6.479 -2.173 -6.447 118 HA LYS 17 HA LYS 17 -6.486 -1.027 -9.131 119 HB2 LYS 17 1HB LYS 17 -6.479 0.939 -6.908 120 HB3 LYS 17 2HB LYS 17 -7.144 1.062 -8.524 121 HG2 LYS 17 1HG LYS 17 -8.363 -0.688 -6.339 122 HG3 LYS 17 2HG LYS 17 -8.874 0.959 -6.650 123 HD2 LYS 17 1HD LYS 17 -8.809 -0.506 -9.161 124 HD3 LYS 17 2HD LYS 17 -9.732 -1.422 -7.987 125 HE2 LYS 17 1HE LYS 17 -10.655 1.171 -7.550 126 HE3 LYS 17 2HE LYS 17 -10.373 1.172 -9.280 127 HZ1 LYS 17 2HZ LYS 17 -12.268 -0.451 -7.749 128 HZ3 LYS 17 1HZ LYS 17 -11.633 -1.131 -9.085 129 H GLY 18 H GLY 18 -5.082 -0.055 -5.935 130 HA2 GLY 18 1HA GLY 18 -2.946 0.280 -5.317 131 HA3 GLY 18 2HA GLY 18 -2.598 -1.213 -6.167 132 H GLU 19 H GLU 19 -0.791 -0.876 -7.401 133 HA GLU 19 HA GLU 19 -0.979 1.206 -9.377 134 HB2 GLU 19 1HB GLU 19 1.242 1.066 -7.304 135 HB3 GLU 19 2HB GLU 19 1.459 1.882 -8.839 136 HG2 GLU 19 1HG GLU 19 -0.856 2.522 -6.959 137 HG3 GLU 19 2HG GLU 19 0.687 3.349 -6.867 138 HE2 GLU 19 HE GLU 19 -0.061 5.385 -7.785 139 HA PRO 20 HA PRO 20 0.480 -2.887 -10.921 140 HB2 PRO 20 2HB PRO 20 -1.049 -1.888 -13.300 141 HB3 PRO 20 3HB PRO 20 -1.161 -3.440 -12.407 142 HG2 PRO 20 2HG PRO 20 -2.822 -1.654 -12.348 143 HG3 PRO 20 3HG PRO 20 -3.025 -2.401 -10.730 144 HD2 PRO 20 2HD PRO 20 -1.806 0.195 -11.489 145 HD3 PRO 20 3HD PRO 20 -2.210 -0.418 -9.857 146 H MET 21 H MET 21 1.121 0.419 -11.465 147 HA MET 21 HA MET 21 2.937 -0.282 -13.639 148 HB2 MET 21 1HB MET 21 1.364 2.200 -12.907 149 HB3 MET 21 2HB MET 21 2.907 2.438 -13.703 150 HG2 MET 21 1HG MET 21 0.898 2.273 -15.274 151 HG3 MET 21 2HG MET 21 2.220 1.185 -15.649 152 HE1 MET 21 3HE MET 21 -1.663 -0.018 -13.470 153 HE2 MET 21 1HE MET 21 -0.372 0.896 -12.654 154 HE3 MET 21 2HE MET 21 -1.249 1.623 -14.022 155 H GLN 22 H GLN 22 3.352 -0.707 -10.695 156 HA GLN 22 HA GLN 22 5.807 0.821 -10.547 157 HB2 GLN 22 1HB GLN 22 3.941 1.933 -9.165 158 HB3 GLN 22 2HB GLN 22 3.983 0.522 -8.128 159 HG2 GLN 22 1HG GLN 22 6.597 1.001 -8.047 160 HG3 GLN 22 2HG GLN 22 6.133 2.608 -8.569 161 HE21 GLN 22 1HE2 GLN 22 4.727 3.864 -7.284 162 HE22 GLN 22 2HE2 GLN 22 4.568 3.605 -5.579 163 H ASP 23 H ASP 23 4.812 -2.040 -11.129 164 HA ASP 23 HA ASP 23 5.851 -3.970 -10.899 165 HB2 ASP 23 1HB ASP 23 7.107 -3.226 -8.247 166 HB3 ASP 23 2HB ASP 23 7.703 -4.339 -9.463 167 HD2 ASP 23 HD ASP 23 9.012 -3.112 -11.317 168 H VAL 24 H VAL 24 3.380 -2.741 -9.434 169 HA VAL 24 HA VAL 24 2.950 -5.038 -7.680 170 HB VAL 24 HB VAL 24 2.258 -2.186 -6.952 171 HG11 VAL 24 1HG1 VAL 24 2.102 -3.601 -4.645 172 HG12 VAL 24 2HG1 VAL 24 0.716 -3.305 -5.723 173 HG13 VAL 24 3HG1 VAL 24 1.602 -4.847 -5.814 174 HG21 VAL 24 3HG2 VAL 24 4.498 -2.095 -6.536 175 HG22 VAL 24 1HG2 VAL 24 3.993 -2.905 -5.034 176 HG23 VAL 24 2HG2 VAL 24 4.656 -3.862 -6.381 177 H ALA 25 H ALA 25 1.574 -6.063 -9.130 178 HA ALA 25 HA ALA 25 -0.449 -4.554 -10.492 179 HB1 ALA 25 1HB ALA 25 -0.338 -6.338 -11.851 180 HB2 ALA 25 2HB ALA 25 0.861 -7.067 -10.756 181 HB3 ALA 25 3HB ALA 25 -0.871 -7.410 -10.535 182 HA PRO 26 HA PRO 26 -3.850 -4.960 -7.779 183 HB2 PRO 26 2HB PRO 26 -5.870 -5.929 -9.382 184 HB3 PRO 26 3HB PRO 26 -5.180 -4.284 -9.562 185 HG2 PRO 26 2HG PRO 26 -4.568 -6.703 -10.964 186 HG3 PRO 26 3HG PRO 26 -4.850 -5.141 -11.799 187 HD2 PRO 26 2HD PRO 26 -2.335 -6.003 -11.421 188 HD3 PRO 26 3HD PRO 26 -2.719 -4.296 -11.046 189 H GLY 27 H GLY 27 -5.013 -6.488 -6.413 190 HA2 GLY 27 1HA GLY 27 -5.417 -8.483 -5.458 191 HA3 GLY 27 2HA GLY 27 -5.281 -9.217 -7.043 192 H THR 28 H THR 28 -2.916 -7.448 -4.915 193 HA THR 28 HA THR 28 -1.207 -9.845 -5.068 194 HB THR 28 HB THR 28 -0.347 -6.905 -5.062 195 HG1 THR 28 1HG THR 28 -0.260 -7.241 -7.314 196 HG21 THR 28 3HG2 THR 28 1.338 -8.664 -4.238 197 HG22 THR 28 1HG2 THR 28 1.194 -9.431 -5.838 198 HG23 THR 28 2HG2 THR 28 1.837 -7.777 -5.699 199 HA PRO 29 HA PRO 29 -1.380 -9.850 -0.715 200 HB2 PRO 29 2HB PRO 29 0.635 -11.591 -0.212 201 HB3 PRO 29 3HB PRO 29 -0.841 -12.109 -1.089 202 HG2 PRO 29 2HG PRO 29 1.531 -11.122 -1.998 203 HG3 PRO 29 3HG PRO 29 1.110 -12.662 -2.816 204 HD2 PRO 29 2HD PRO 29 0.602 -10.555 -4.219 205 HD3 PRO 29 3HD PRO 29 -0.857 -11.525 -3.853 206 H TRP 30 H TRP 30 -0.625 -8.288 0.716 207 HA TRP 30 HA TRP 30 1.412 -6.553 0.047 208 HB2 TRP 30 1HB TRP 30 -0.247 -5.931 1.631 209 HB3 TRP 30 2HB TRP 30 0.156 -7.264 2.695 210 HD1 TRP 30 HD TRP 30 2.140 -6.848 4.436 211 HE1 TRP 30 1HE TRP 30 3.665 -4.815 5.148 212 HE3 TRP 30 3HE TRP 30 0.888 -3.859 0.518 213 HZ2 TRP 30 2HZ TRP 30 4.164 -2.242 4.018 214 HZ3 TRP 30 3HZ TRP 30 1.938 -1.602 0.397 215 HH2 TRP 30 HH TRP 30 3.525 -0.780 2.065 216 H SER 31 H SER 31 1.482 -9.834 1.243 217 HA SER 31 HA SER 31 3.988 -9.646 2.518 218 HB2 SER 31 1HB SER 31 3.710 -12.315 1.862 219 HB3 SER 31 2HB SER 31 3.062 -11.564 3.307 220 HG SER 31 HG SER 31 1.070 -11.826 2.563 221 H GLU 32 H GLU 32 2.855 -11.012 -0.660 222 HA GLU 32 HA GLU 32 5.386 -11.687 -1.546 223 HB2 GLU 32 1HB GLU 32 3.111 -12.421 -2.472 224 HB3 GLU 32 2HB GLU 32 3.033 -10.880 -3.304 225 HG2 GLU 32 1HG GLU 32 5.636 -12.033 -3.805 226 HG3 GLU 32 2HG GLU 32 4.432 -13.269 -4.105 227 HE2 GLU 32 HE GLU 32 5.927 -12.017 -6.044 228 H VAL 33 H VAL 33 3.612 -8.614 -1.495 229 HA VAL 33 HA VAL 33 4.686 -7.136 -3.439 230 HB VAL 33 HB VAL 33 4.073 -6.558 -0.563 231 HG11 VAL 33 1HG1 VAL 33 5.057 -4.498 -2.567 232 HG12 VAL 33 2HG1 VAL 33 4.419 -4.162 -0.939 233 HG13 VAL 33 3HG1 VAL 33 5.943 -5.062 -1.130 234 HG21 VAL 33 3HG2 VAL 33 2.825 -5.859 -3.232 235 HG22 VAL 33 1HG2 VAL 33 2.149 -6.858 -1.923 236 HG23 VAL 33 2HG2 VAL 33 2.325 -5.101 -1.701 237 HA PRO 34 HA PRO 34 9.053 -7.543 -3.296 238 HB2 PRO 34 2HB PRO 34 8.904 -4.828 -4.609 239 HB3 PRO 34 3HB PRO 34 9.705 -6.342 -5.141 240 HG2 PRO 34 2HG PRO 34 7.350 -5.546 -6.324 241 HG3 PRO 34 3HG PRO 34 7.951 -7.192 -5.941 242 HD2 PRO 34 2HD PRO 34 5.935 -5.435 -4.450 243 HD3 PRO 34 3HD PRO 34 5.821 -7.174 -4.857 244 H ASP 35 H ASP 35 10.897 -5.476 -2.989 245 HA ASP 35 HA ASP 35 9.980 -4.267 -0.498 246 HB2 ASP 35 1HB ASP 35 12.273 -4.471 0.350 247 HB3 ASP 35 2HB ASP 35 11.695 -6.046 -0.156 248 HD2 ASP 35 HD ASP 35 13.967 -6.890 -1.926 249 H ASN 36 H ASN 36 9.678 -3.071 -3.123 250 HA ASN 36 HA ASN 36 11.573 -0.887 -2.832 251 HB2 ASN 36 1HB ASN 36 11.065 -2.606 -5.224 252 HB3 ASN 36 2HB ASN 36 11.041 -0.886 -5.561 253 HD21 ASN 36 1HD2 ASN 36 12.858 0.412 -4.882 254 HD22 ASN 36 2HD2 ASN 36 14.452 -0.265 -4.840 255 H PHE 37 H PHE 37 8.978 -0.965 -1.707 256 HA PHE 37 HA PHE 37 7.508 0.818 -3.517 257 HB2 PHE 37 1HB PHE 37 6.517 -1.523 -3.204 258 HB3 PHE 37 2HB PHE 37 6.473 -1.241 -1.475 259 HD1 PHE 37 2HD PHE 37 4.862 0.342 -0.514 260 HD2 PHE 37 1HD PHE 37 4.895 -0.504 -4.672 261 HE1 PHE 37 2HE PHE 37 2.574 1.350 -0.737 262 HE2 PHE 37 1HE PHE 37 2.607 0.504 -4.895 263 HZ PHE 37 HZ PHE 37 1.474 1.418 -2.925 264 H LEU 38 H LEU 38 6.943 2.782 -2.658 265 HA LEU 38 HA LEU 38 6.776 3.031 0.225 266 HB2 LEU 38 1HB LEU 38 8.541 4.954 -1.252 267 HB3 LEU 38 2HB LEU 38 8.400 4.680 0.473 268 HG LEU 38 HG LEU 38 9.542 2.623 -1.430 269 HD11 LEU 38 1HD1 LEU 38 11.706 3.410 -1.087 270 HD12 LEU 38 2HD1 LEU 38 10.761 4.896 -1.350 271 HD13 LEU 38 3HD1 LEU 38 11.229 4.419 0.300 272 HD21 LEU 38 3HD2 LEU 38 9.955 1.321 0.354 273 HD22 LEU 38 1HD2 LEU 38 10.364 2.699 1.404 274 HD23 LEU 38 2HD2 LEU 38 8.659 2.275 1.115 275 H CYS 39 H CYS 39 5.299 4.601 0.860 276 HA CYS 39 HA CYS 39 3.233 5.244 -0.636 277 HB2 CYS 39 1HB CYS 39 4.253 6.136 1.831 278 HB3 CYS 39 2HB CYS 39 3.904 7.598 0.931 279 HA PRO 40 HA PRO 40 5.083 7.736 -3.865 280 HB2 PRO 40 2HB PRO 40 2.953 7.655 -5.559 281 HB3 PRO 40 3HB PRO 40 3.964 6.207 -5.244 282 HG2 PRO 40 2HG PRO 40 1.478 6.987 -4.128 283 HG3 PRO 40 3HG PRO 40 1.816 5.305 -4.651 284 HD2 PRO 40 2HD PRO 40 1.878 6.055 -2.015 285 HD3 PRO 40 3HD PRO 40 3.042 4.861 -2.666 286 H GLU 41 H GLU 41 3.032 8.588 -1.412 287 HA GLU 41 HA GLU 41 2.749 11.234 -2.563 288 HB2 GLU 41 1HB GLU 41 0.540 9.516 -1.428 289 HB3 GLU 41 2HB GLU 41 0.458 11.252 -1.204 290 HG2 GLU 41 1HG GLU 41 0.703 9.798 -3.880 291 HG3 GLU 41 2HG GLU 41 -0.736 10.589 -3.266 292 HE2 GLU 41 HE GLU 41 0.142 13.651 -4.323 293 H CYS 42 H CYS 42 4.233 9.416 -0.346 294 HA CYS 42 HA CYS 42 4.799 11.549 1.349 295 HB2 CYS 42 1HB CYS 42 3.560 11.277 3.241 296 HB3 CYS 42 2HB CYS 42 2.373 10.716 2.080 297 H SER 43 H SER 43 6.067 9.508 -0.312 298 HA SER 43 HA SER 43 7.181 7.494 -0.049 299 HB2 SER 43 1HB SER 43 8.608 9.992 0.735 300 HB3 SER 43 2HB SER 43 9.454 8.507 1.121 301 HG SER 43 HG SER 43 9.313 9.724 -1.261 302 H LEU 44 H LEU 44 6.160 6.052 1.432 303 HA LEU 44 HA LEU 44 7.219 6.232 4.166 304 HB2 LEU 44 1HB LEU 44 4.678 6.733 3.651 305 HB3 LEU 44 2HB LEU 44 4.564 4.985 3.607 306 HG LEU 44 HG LEU 44 4.036 6.165 5.811 307 HD11 LEU 44 1HD1 LEU 44 5.766 3.767 5.418 308 HD12 LEU 44 2HD1 LEU 44 5.523 4.364 7.078 309 HD13 LEU 44 3HD1 LEU 44 4.121 3.905 6.083 310 HD21 LEU 44 3HD2 LEU 44 7.034 6.225 6.165 311 HD22 LEU 44 1HD2 LEU 44 6.099 7.647 5.642 312 HD23 LEU 44 2HD2 LEU 44 5.771 6.899 7.223 313 H GLY 45 H GLY 45 8.381 4.492 4.813 314 HA2 GLY 45 1HA GLY 45 9.058 2.444 3.039 315 HA3 GLY 45 2HA GLY 45 9.349 2.465 4.767 316 H LYS 46 H LYS 46 8.917 0.109 4.706 317 HA LYS 46 HA LYS 46 6.034 -0.439 4.550 318 HB2 LYS 46 1HB LYS 46 8.188 -2.524 4.212 319 HB3 LYS 46 2HB LYS 46 6.497 -2.611 3.763 320 HG2 LYS 46 1HG LYS 46 7.572 -0.329 2.407 321 HG3 LYS 46 2HG LYS 46 8.743 -1.617 2.208 322 HD2 LYS 46 1HD LYS 46 5.879 -2.402 1.823 323 HD3 LYS 46 2HD LYS 46 6.534 -1.313 0.616 324 HE2 LYS 46 1HE LYS 46 7.346 -3.201 -0.382 325 HE3 LYS 46 2HE LYS 46 8.595 -3.146 0.846 326 HZ1 LYS 46 2HZ LYS 46 6.039 -4.643 1.093 327 HZ3 LYS 46 1HZ LYS 46 7.189 -4.583 2.244 328 H ASP 47 H ASP 47 7.660 0.705 6.808 329 HA ASP 47 HA ASP 47 7.340 -1.533 8.648 330 HB2 ASP 47 1HB ASP 47 9.119 0.940 8.744 331 HB3 ASP 47 2HB ASP 47 8.838 -0.052 10.160 332 HD2 ASP 47 HD ASP 47 10.958 -0.657 10.261 333 H VAL 48 H VAL 48 5.120 0.098 7.706 334 HA VAL 48 HA VAL 48 4.236 1.149 10.236 335 HB VAL 48 HB VAL 48 4.357 2.936 7.798 336 HG11 VAL 48 1HG1 VAL 48 2.512 3.735 8.899 337 HG12 VAL 48 2HG1 VAL 48 3.066 3.155 10.488 338 HG13 VAL 48 3HG1 VAL 48 3.781 4.622 9.777 339 HG21 VAL 48 3HG2 VAL 48 6.589 2.697 8.693 340 HG22 VAL 48 1HG2 VAL 48 5.952 4.293 9.159 341 HG23 VAL 48 2HG2 VAL 48 6.001 2.971 10.350 342 H PHE 49 H PHE 49 3.481 1.179 6.675 343 HA PHE 49 HA PHE 49 0.865 1.204 6.608 344 HB2 PHE 49 1HB PHE 49 3.021 -0.397 5.248 345 HB3 PHE 49 2HB PHE 49 1.398 -1.003 4.982 346 HD1 PHE 49 1HD PHE 49 3.448 2.088 4.717 347 HD2 PHE 49 2HD PHE 49 0.036 -0.034 3.352 348 HE1 PHE 49 1HE PHE 49 3.105 3.800 2.914 349 HE2 PHE 49 2HE PHE 49 -0.307 1.679 1.549 350 HZ PHE 49 HZ PHE 49 1.232 3.575 1.352 351 H GLU 50 H GLU 50 -0.861 0.197 7.526 352 HA GLU 50 HA GLU 50 -0.315 -2.409 8.715 353 HB2 GLU 50 1HB GLU 50 -2.072 -1.904 10.349 354 HB3 GLU 50 2HB GLU 50 -0.880 -0.619 10.346 355 HG2 GLU 50 1HG GLU 50 -2.934 -0.033 8.367 356 HG3 GLU 50 2HG GLU 50 -3.695 -0.389 9.904 357 HE2 GLU 50 HE GLU 50 -2.896 2.552 11.279 358 H GLU 51 H GLU 51 -2.676 -3.589 9.059 359 HA GLU 51 HA GLU 51 -4.556 -4.333 8.167 360 HB2 GLU 51 1HB GLU 51 -4.157 -2.819 5.574 361 HB3 GLU 51 2HB GLU 51 -5.656 -3.354 6.305 362 HG2 GLU 51 1HG GLU 51 -4.395 -1.646 8.225 363 HG3 GLU 51 2HG GLU 51 -4.246 -0.838 6.677 364 HE2 GLU 51 HE GLU 51 -7.467 0.215 7.777 365 H LEU 52 H LEU 52 -4.843 -4.904 5.197 366 HA LEU 52 HA LEU 52 -2.493 -6.535 4.692 367 HB2 LEU 52 1HB LEU 52 -4.340 -8.377 4.107 368 HB3 LEU 52 2HB LEU 52 -3.479 -8.300 5.631 369 HG LEU 52 HG LEU 52 -6.062 -6.805 5.393 370 HD11 LEU 52 1HD1 LEU 52 -6.335 -9.144 4.386 371 HD12 LEU 52 2HD1 LEU 52 -6.062 -9.752 6.037 372 HD13 LEU 52 3HD1 LEU 52 -7.439 -8.675 5.701 373 HD21 LEU 52 3HD2 LEU 52 -6.191 -7.817 7.794 374 HD22 LEU 52 1HD2 LEU 52 -4.449 -8.102 7.568 375 HD23 LEU 52 2HD2 LEU 52 -5.101 -6.450 7.462 376 H ALA 53 H ALA 53 -3.373 -7.920 2.468 377 HA ALA 53 HA ALA 53 -4.789 -6.081 0.754 378 HB1 ALA 53 1HB ALA 53 -2.318 -5.353 0.872 379 HB2 ALA 53 2HB ALA 53 -1.957 -6.865 0.004 380 HB3 ALA 53 3HB ALA 53 -3.005 -5.636 -0.745 381 H SER 54 H SER 54 -4.617 -7.139 -1.644 382 HA SER 54 HA SER 54 -5.029 -8.840 -2.934 383 HB2 SER 54 1HB SER 54 -2.942 -9.850 -1.932 384 HB3 SER 54 2HB SER 54 -3.940 -10.659 -0.740 385 HG SER 54 HG SER 54 -3.593 -12.132 -2.420 386 H GLU 55 H GLU 55 -7.032 -9.738 -3.385 387 HA GLU 55 HA GLU 55 -9.098 -9.537 -1.706 388 HB2 GLU 55 1HB GLU 55 -10.309 -11.079 -3.193 389 HB3 GLU 55 2HB GLU 55 -9.281 -10.013 -4.131 390 HG2 GLU 55 1HG GLU 55 -7.796 -11.715 -4.718 391 HG3 GLU 55 2HG GLU 55 -8.078 -12.623 -3.246 392 HE2 GLU 55 HE GLU 55 -10.053 -13.625 -6.455 393 H ALA 56 H ALA 56 -10.485 -11.249 -0.621 394 HA ALA 56 HA ALA 56 -8.919 -13.518 0.343 395 HB1 ALA 56 1HB ALA 56 -8.543 -11.830 2.029 396 HB2 ALA 56 2HB ALA 56 -10.270 -11.401 2.060 397 HB3 ALA 56 3HB ALA 56 -9.736 -12.983 2.675 398 H LYS 57 H LYS 57 -10.599 -14.827 1.911 399 HA LYS 57 HA LYS 57 -13.284 -14.673 0.844 400 HB2 LYS 57 1HB LYS 57 -11.867 -16.094 -0.743 401 HB3 LYS 57 2HB LYS 57 -11.748 -17.262 0.557 402 HG2 LYS 57 1HG LYS 57 -14.115 -17.647 0.590 403 HG3 LYS 57 2HG LYS 57 -14.454 -16.188 -0.320 404 HD2 LYS 57 1HD LYS 57 -12.856 -18.513 -1.481 405 HD3 LYS 57 2HD LYS 57 -14.599 -18.400 -1.628 406 HE2 LYS 57 1HE LYS 57 -14.315 -17.078 -3.450 407 HE3 LYS 57 2HE LYS 57 -13.634 -15.844 -2.408 408 HZ1 LYS 57 2HZ LYS 57 -12.283 -17.363 -4.325 409 HZ3 LYS 57 1HZ LYS 57 -11.660 -17.796 -2.884 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -8.641 -8.653 -2.465 2 HA2 GLY 1 1HA GLY 1 -10.753 -7.673 -1.784 3 HA3 GLY 1 2HA GLY 1 -10.170 -8.781 -0.558 4 HA PRO 2 HA PRO 2 -9.668 -5.383 2.253 5 HB2 PRO 2 2HB PRO 2 -7.099 -6.081 3.334 6 HB3 PRO 2 3HB PRO 2 -8.708 -6.684 3.850 7 HG2 PRO 2 2HG PRO 2 -6.686 -8.515 2.484 8 HG3 PRO 2 3HG PRO 2 -8.437 -8.595 2.866 9 HD2 PRO 2 2HD PRO 2 -7.031 -7.518 0.355 10 HD3 PRO 2 3HD PRO 2 -8.356 -8.717 0.456 11 H ARG 3 H ARG 3 -8.131 -3.517 3.063 12 HA ARG 3 HA ARG 3 -6.162 -2.891 1.054 13 HB2 ARG 3 1HB ARG 3 -8.074 -0.683 1.841 14 HB3 ARG 3 2HB ARG 3 -7.113 -0.836 0.383 15 HG2 ARG 3 1HG ARG 3 -9.242 -1.347 -0.442 16 HG3 ARG 3 2HG ARG 3 -8.632 -2.952 -0.093 17 HD2 ARG 3 1HD ARG 3 -10.406 -3.282 1.285 18 HD3 ARG 3 2HD ARG 3 -9.768 -2.048 2.354 19 HE ARG 3 HE ARG 3 -11.403 -0.570 1.576 20 HH11 ARG 3 2HH2 ARG 3 -11.074 -3.215 -0.758 21 HH12 ARG 3 1HH2 ARG 3 -12.418 -2.697 -1.721 22 HH22 ARG 3 1HH ARG 3 -13.639 -0.738 -1.077 23 H MET 4 H MET 4 -4.683 -1.100 1.782 24 HA MET 4 HA MET 4 -4.625 -1.044 4.688 25 HB2 MET 4 1HB MET 4 -2.424 -0.279 2.695 26 HB3 MET 4 2HB MET 4 -2.216 -0.573 4.410 27 HG2 MET 4 1HG MET 4 -1.996 -2.812 4.074 28 HG3 MET 4 2HG MET 4 -3.502 -2.884 3.179 29 HE1 MET 4 3HE MET 4 -0.167 -3.297 3.450 30 HE2 MET 4 1HE MET 4 0.164 -4.105 1.899 31 HE3 MET 4 2HE MET 4 0.704 -2.429 2.162 32 H GLN 5 H GLN 5 -3.028 1.158 5.210 33 HA GLN 5 HA GLN 5 -3.937 3.409 3.757 34 HB2 GLN 5 1HB GLN 5 -5.345 2.591 6.250 35 HB3 GLN 5 2HB GLN 5 -4.862 4.275 6.202 36 HG2 GLN 5 1HG GLN 5 -6.426 4.796 4.625 37 HG3 GLN 5 2HG GLN 5 -6.019 3.407 3.637 38 HE21 GLN 5 1HE2 GLN 5 -6.627 1.239 4.741 39 HE22 GLN 5 2HE2 GLN 5 -8.241 1.131 5.360 40 H CYS 6 H CYS 6 -1.912 4.310 3.600 41 HA CYS 6 HA CYS 6 0.060 4.001 5.534 42 HB2 CYS 6 1HB CYS 6 0.675 4.501 3.268 43 HB3 CYS 6 2HB CYS 6 -0.246 5.992 3.269 44 H SER 7 H SER 7 0.210 4.943 7.541 45 HA SER 7 HA SER 7 -1.629 7.013 8.195 46 HB2 SER 7 1HB SER 7 0.618 6.041 9.986 47 HB3 SER 7 2HB SER 7 -0.953 6.662 10.454 48 HG SER 7 HG SER 7 -0.279 4.088 9.373 49 H VAL 8 H VAL 8 -0.223 8.165 6.229 50 HA VAL 8 HA VAL 8 1.255 10.208 7.615 51 HB VAL 8 HB VAL 8 2.566 8.492 5.496 52 HG11 VAL 8 1HG1 VAL 8 3.496 11.033 6.870 53 HG12 VAL 8 2HG1 VAL 8 4.561 9.953 5.937 54 HG13 VAL 8 3HG1 VAL 8 3.206 10.780 5.132 55 HG21 VAL 8 3HG2 VAL 8 2.665 7.336 7.580 56 HG22 VAL 8 1HG2 VAL 8 4.255 8.098 7.341 57 HG23 VAL 8 2HG2 VAL 8 3.081 8.823 8.465 58 H CYS 9 H CYS 9 0.725 8.862 4.274 59 HA CYS 9 HA CYS 9 0.062 11.546 3.409 60 HB2 CYS 9 1HB CYS 9 0.007 10.463 1.124 61 HB3 CYS 9 2HB CYS 9 1.560 10.446 1.935 62 H GLN 10 H GLN 10 -1.339 8.336 4.090 63 HA GLN 10 HA GLN 10 -3.424 7.797 4.511 64 HB2 GLN 10 1HB GLN 10 -3.647 10.595 4.584 65 HB3 GLN 10 2HB GLN 10 -4.886 10.116 3.441 66 HG2 GLN 10 1HG GLN 10 -4.565 9.196 6.327 67 HG3 GLN 10 2HG GLN 10 -5.907 10.083 5.632 68 HE21 GLN 10 1HE2 GLN 10 -7.338 9.055 4.197 69 HE22 GLN 10 2HE2 GLN 10 -7.545 7.336 4.176 70 H TRP 11 H TRP 11 -2.525 6.518 2.517 71 HA TRP 11 HA TRP 11 -4.332 7.021 0.250 72 HB2 TRP 11 1HB TRP 11 -1.822 7.381 -0.100 73 HB3 TRP 11 2HB TRP 11 -1.660 5.643 0.055 74 HD1 TRP 11 HD TRP 11 -3.405 8.229 -2.269 75 HE1 TRP 11 1HE TRP 11 -3.786 7.215 -4.675 76 HE3 TRP 11 3HE TRP 11 -1.796 3.544 -1.123 77 HZ2 TRP 11 2HZ TRP 11 -3.381 4.626 -5.804 78 HZ3 TRP 11 3HZ TRP 11 -1.820 1.832 -2.935 79 HH2 TRP 11 HH TRP 11 -2.577 2.310 -5.210 80 H ILE 12 H ILE 12 -5.851 5.436 0.003 81 HA ILE 12 HA ILE 12 -5.585 3.052 1.609 82 HB ILE 12 HB ILE 12 -7.819 3.940 -0.218 83 HG12 ILE 12 1HG1 ILE 12 -7.132 4.662 2.608 84 HG13 ILE 12 2HG1 ILE 12 -7.757 5.668 1.316 85 HG21 ILE 12 1HG2 ILE 12 -9.127 2.262 0.656 86 HG22 ILE 12 2HG2 ILE 12 -7.538 1.462 0.590 87 HG23 ILE 12 3HG2 ILE 12 -8.145 2.110 2.133 88 HD11 ILE 12 3HD1 ILE 12 -9.630 5.386 2.728 89 HD12 ILE 12 1HD1 ILE 12 -9.901 4.164 1.462 90 HD13 ILE 12 2HD1 ILE 12 -9.251 3.676 3.046 91 H TYR 13 H TYR 13 -4.321 1.512 0.874 92 HA TYR 13 HA TYR 13 -3.866 1.121 -1.975 93 HB2 TYR 13 1HB TYR 13 -2.073 0.824 -0.335 94 HB3 TYR 13 2HB TYR 13 -3.004 -0.444 0.480 95 HD1 TYR 13 2HD TYR 13 -3.428 -2.620 -0.683 96 HD2 TYR 13 1HD TYR 13 -0.782 0.360 -2.285 97 HE1 TYR 13 2HE TYR 13 -2.408 -4.325 -2.167 98 HE2 TYR 13 1HE TYR 13 0.239 -1.345 -3.770 99 HH TYR 13 HH TYR 13 -0.909 -3.965 -4.723 100 H ASP 14 H ASP 14 -5.787 0.419 -3.018 101 HA ASP 14 HA ASP 14 -7.112 -1.831 -1.776 102 HB2 ASP 14 1HB ASP 14 -8.283 -1.057 -4.307 103 HB3 ASP 14 2HB ASP 14 -8.984 -0.950 -2.705 104 HD2 ASP 14 HD ASP 14 -9.446 1.758 -2.473 105 HA PRO 15 HA PRO 15 -4.526 -4.433 -4.400 106 HB2 PRO 15 2HB PRO 15 -6.644 -6.394 -3.480 107 HB3 PRO 15 3HB PRO 15 -4.854 -6.514 -3.466 108 HG2 PRO 15 2HG PRO 15 -6.302 -6.001 -1.229 109 HG3 PRO 15 3HG PRO 15 -4.675 -5.322 -1.561 110 HD2 PRO 15 2HD PRO 15 -7.427 -4.046 -1.776 111 HD3 PRO 15 3HD PRO 15 -5.874 -3.310 -1.277 112 H ALA 16 H ALA 16 -7.984 -3.695 -4.615 113 HA ALA 16 HA ALA 16 -8.342 -5.212 -7.029 114 HB1 ALA 16 1HB ALA 16 -10.550 -4.767 -6.693 115 HB2 ALA 16 2HB ALA 16 -10.008 -4.296 -5.065 116 HB3 ALA 16 3HB ALA 16 -10.253 -3.053 -6.315 117 H LYS 17 H LYS 17 -6.691 -2.376 -6.227 118 HA LYS 17 HA LYS 17 -6.813 -1.527 -9.013 119 HB2 LYS 17 1HB LYS 17 -6.787 0.662 -7.001 120 HB3 LYS 17 2HB LYS 17 -7.462 0.622 -8.617 121 HG2 LYS 17 1HG LYS 17 -8.654 -0.936 -6.278 122 HG3 LYS 17 2HG LYS 17 -9.170 0.683 -6.708 123 HD2 LYS 17 1HD LYS 17 -9.120 -1.017 -9.085 124 HD3 LYS 17 2HD LYS 17 -10.080 -1.771 -7.827 125 HE2 LYS 17 1HE LYS 17 -10.608 1.129 -8.060 126 HE3 LYS 17 2HE LYS 17 -10.936 0.270 -9.551 127 HZ1 LYS 17 2HZ LYS 17 -12.677 0.383 -7.536 128 HZ3 LYS 17 1HZ LYS 17 -11.935 -1.010 -7.137 129 H GLY 18 H GLY 18 -5.321 -0.477 -5.866 130 HA2 GLY 18 1HA GLY 18 -3.174 -0.072 -5.331 131 HA3 GLY 18 2HA GLY 18 -2.813 -1.531 -6.231 132 H GLU 19 H GLU 19 -0.867 -0.843 -7.189 133 HA GLU 19 HA GLU 19 -1.243 1.284 -9.144 134 HB2 GLU 19 1HB GLU 19 0.838 1.005 -7.024 135 HB3 GLU 19 2HB GLU 19 1.439 1.468 -8.604 136 HG2 GLU 19 1HG GLU 19 -0.722 2.896 -6.989 137 HG3 GLU 19 2HG GLU 19 0.892 3.490 -7.329 138 HE2 GLU 19 HE GLU 19 0.144 4.152 -10.711 139 HA PRO 20 HA PRO 20 0.031 -2.616 -11.222 140 HB2 PRO 20 2HB PRO 20 -1.842 -1.618 -13.304 141 HB3 PRO 20 3HB PRO 20 -1.854 -3.150 -12.371 142 HG2 PRO 20 2HG PRO 20 -3.799 -1.172 -11.836 143 HG3 PRO 20 3HG PRO 20 -3.095 -2.337 -10.668 144 HD2 PRO 20 2HD PRO 20 -2.251 0.544 -11.311 145 HD3 PRO 20 3HD PRO 20 -2.570 -0.191 -9.710 146 H MET 21 H MET 21 0.819 0.570 -11.379 147 HA MET 21 HA MET 21 2.235 0.135 -13.888 148 HB2 MET 21 1HB MET 21 1.022 2.775 -12.897 149 HB3 MET 21 2HB MET 21 1.913 2.572 -14.392 150 HG2 MET 21 1HG MET 21 -0.160 2.251 -15.322 151 HG3 MET 21 2HG MET 21 0.002 0.619 -14.705 152 HE1 MET 21 3HE MET 21 -1.984 -0.052 -14.535 153 HE2 MET 21 1HE MET 21 -3.020 0.162 -13.103 154 HE3 MET 21 2HE MET 21 -3.316 1.128 -14.569 155 H GLN 22 H GLN 22 2.865 -0.152 -10.895 156 HA GLN 22 HA GLN 22 5.237 1.523 -11.010 157 HB2 GLN 22 1HB GLN 22 4.904 2.497 -8.956 158 HB3 GLN 22 2HB GLN 22 3.220 2.244 -9.368 159 HG2 GLN 22 1HG GLN 22 3.014 0.995 -7.487 160 HG3 GLN 22 2HG GLN 22 4.032 -0.217 -8.240 161 HE21 GLN 22 1HE2 GLN 22 4.016 2.700 -6.264 162 HE22 GLN 22 2HE2 GLN 22 5.508 2.427 -5.427 163 H ASP 23 H ASP 23 4.251 -1.463 -11.362 164 HA ASP 23 HA ASP 23 5.504 -3.296 -11.288 165 HB2 ASP 23 1HB ASP 23 7.395 -1.670 -10.300 166 HB3 ASP 23 2HB ASP 23 6.983 -2.456 -8.789 167 HD2 ASP 23 HD ASP 23 9.050 -3.308 -8.785 168 H VAL 24 H VAL 24 3.021 -2.473 -9.806 169 HA VAL 24 HA VAL 24 2.947 -4.701 -7.969 170 HB VAL 24 HB VAL 24 2.218 -1.916 -7.048 171 HG11 VAL 24 1HG1 VAL 24 0.872 -3.678 -6.021 172 HG12 VAL 24 2HG1 VAL 24 2.347 -4.568 -5.571 173 HG13 VAL 24 3HG1 VAL 24 2.002 -2.984 -4.834 174 HG21 VAL 24 3HG2 VAL 24 4.181 -2.113 -5.532 175 HG22 VAL 24 1HG2 VAL 24 4.658 -3.599 -6.388 176 HG23 VAL 24 2HG2 VAL 24 4.630 -2.044 -7.253 177 H ALA 25 H ALA 25 1.465 -5.716 -9.334 178 HA ALA 25 HA ALA 25 -0.777 -4.238 -10.346 179 HB1 ALA 25 1HB ALA 25 0.530 -6.827 -10.750 180 HB2 ALA 25 2HB ALA 25 -1.244 -6.971 -10.705 181 HB3 ALA 25 3HB ALA 25 -0.470 -5.870 -11.870 182 HA PRO 26 HA PRO 26 -3.916 -4.919 -7.400 183 HB2 PRO 26 2HB PRO 26 -5.435 -6.656 -9.334 184 HB3 PRO 26 3HB PRO 26 -5.893 -5.115 -8.538 185 HG2 PRO 26 2HG PRO 26 -5.223 -5.144 -11.196 186 HG3 PRO 26 3HG PRO 26 -4.916 -3.863 -9.978 187 HD2 PRO 26 2HD PRO 26 -3.050 -6.027 -11.073 188 HD3 PRO 26 3HD PRO 26 -2.717 -4.290 -10.802 189 H GLY 27 H GLY 27 -5.256 -6.755 -6.228 190 HA2 GLY 27 1HA GLY 27 -4.914 -8.560 -4.880 191 HA3 GLY 27 2HA GLY 27 -5.006 -9.392 -6.419 192 H THR 28 H THR 28 -2.537 -7.389 -4.637 193 HA THR 28 HA THR 28 -0.607 -9.545 -5.197 194 HB THR 28 HB THR 28 -0.263 -6.502 -5.272 195 HG1 THR 28 1HG THR 28 0.087 -7.058 -7.510 196 HG21 THR 28 3HG2 THR 28 1.695 -8.510 -4.652 197 HG22 THR 28 1HG2 THR 28 1.947 -8.048 -6.352 198 HG23 THR 28 2HG2 THR 28 1.991 -6.807 -5.077 199 HA PRO 29 HA PRO 29 -0.783 -10.058 -0.817 200 HB2 PRO 29 2HB PRO 29 1.821 -11.418 -1.629 201 HB3 PRO 29 3HB PRO 29 0.538 -11.947 -0.493 202 HG2 PRO 29 2HG PRO 29 0.291 -13.052 -3.144 203 HG3 PRO 29 3HG PRO 29 -0.781 -12.264 -1.941 204 HD2 PRO 29 2HD PRO 29 0.654 -10.969 -4.345 205 HD3 PRO 29 3HD PRO 29 -1.112 -11.143 -4.117 206 H TRP 30 H TRP 30 -0.207 -8.340 0.512 207 HA TRP 30 HA TRP 30 1.629 -6.428 -0.097 208 HB2 TRP 30 1HB TRP 30 0.074 -6.018 1.614 209 HB3 TRP 30 2HB TRP 30 0.564 -7.428 2.532 210 HD1 TRP 30 HD TRP 30 2.185 -6.897 4.513 211 HE1 TRP 30 1HE TRP 30 3.791 -4.950 5.284 212 HE3 TRP 30 3HE TRP 30 1.637 -4.075 0.319 213 HZ2 TRP 30 2HZ TRP 30 4.634 -2.504 4.079 214 HZ3 TRP 30 3HZ TRP 30 2.886 -1.922 0.196 215 HH2 TRP 30 HH TRP 30 4.344 -1.124 1.988 216 H SER 31 H SER 31 2.077 -9.631 1.458 217 HA SER 31 HA SER 31 4.718 -9.167 2.240 218 HB2 SER 31 1HB SER 31 2.873 -11.497 2.021 219 HB3 SER 31 2HB SER 31 4.577 -11.899 1.933 220 HG SER 31 HG SER 31 3.076 -11.165 4.121 221 H GLU 32 H GLU 32 3.155 -10.351 -0.756 222 HA GLU 32 HA GLU 32 5.521 -11.309 -1.913 223 HB2 GLU 32 1HB GLU 32 3.373 -12.109 -2.705 224 HB3 GLU 32 2HB GLU 32 2.833 -10.485 -3.081 225 HG2 GLU 32 1HG GLU 32 3.709 -10.664 -5.161 226 HG3 GLU 32 2HG GLU 32 5.310 -10.875 -4.479 227 HE2 GLU 32 HE GLU 32 5.294 -14.157 -4.215 228 H VAL 33 H VAL 33 3.852 -8.143 -1.837 229 HA VAL 33 HA VAL 33 5.037 -6.843 -3.907 230 HB VAL 33 HB VAL 33 4.179 -6.004 -1.155 231 HG11 VAL 33 1HG1 VAL 33 6.054 -4.523 -1.783 232 HG12 VAL 33 2HG1 VAL 33 5.222 -4.130 -3.306 233 HG13 VAL 33 3HG1 VAL 33 4.498 -3.658 -1.749 234 HG21 VAL 33 3HG2 VAL 33 3.103 -5.576 -3.959 235 HG22 VAL 33 1HG2 VAL 33 2.387 -6.548 -2.652 236 HG23 VAL 33 2HG2 VAL 33 2.448 -4.775 -2.511 237 HA PRO 34 HA PRO 34 9.373 -7.054 -3.350 238 HB2 PRO 34 2HB PRO 34 9.285 -4.362 -4.712 239 HB3 PRO 34 3HB PRO 34 10.160 -5.866 -5.148 240 HG2 PRO 34 2HG PRO 34 7.903 -5.141 -6.556 241 HG3 PRO 34 3HG PRO 34 8.506 -6.764 -6.085 242 HD2 PRO 34 2HD PRO 34 6.330 -5.026 -4.808 243 HD3 PRO 34 3HD PRO 34 6.281 -6.770 -5.205 244 H ASP 35 H ASP 35 10.522 -6.532 -1.490 245 HA ASP 35 HA ASP 35 9.522 -4.601 0.239 246 HB2 ASP 35 1HB ASP 35 12.366 -5.700 0.211 247 HB3 ASP 35 2HB ASP 35 11.489 -5.089 1.599 248 HD2 ASP 35 HD ASP 35 11.924 -7.707 -0.453 249 H ASN 36 H ASN 36 9.613 -2.399 -0.277 250 HA ASN 36 HA ASN 36 11.746 -0.888 -0.193 251 HB2 ASN 36 1HB ASN 36 11.801 -2.357 -2.745 252 HB3 ASN 36 2HB ASN 36 11.766 -0.627 -3.023 253 HD21 ASN 36 1HD2 ASN 36 13.727 0.049 -3.421 254 HD22 ASN 36 2HD2 ASN 36 15.169 -0.334 -2.541 255 H PHE 37 H PHE 37 9.167 -1.550 -2.684 256 HA PHE 37 HA PHE 37 8.358 0.746 -3.562 257 HB2 PHE 37 1HB PHE 37 6.978 -1.199 -3.922 258 HB3 PHE 37 2HB PHE 37 6.845 -1.528 -2.206 259 HD1 PHE 37 2HD PHE 37 5.593 0.383 -0.834 260 HD2 PHE 37 1HD PHE 37 5.142 -0.308 -4.997 261 HE1 PHE 37 2HE PHE 37 3.365 1.539 -0.785 262 HE2 PHE 37 1HE PHE 37 2.915 0.848 -4.948 263 HZ PHE 37 HZ PHE 37 2.053 1.758 -2.842 264 H LEU 38 H LEU 38 7.283 2.661 -2.968 265 HA LEU 38 HA LEU 38 6.621 2.948 -0.140 266 HB2 LEU 38 1HB LEU 38 8.131 5.153 -1.468 267 HB3 LEU 38 2HB LEU 38 7.951 4.781 0.235 268 HG LEU 38 HG LEU 38 9.479 2.883 -1.518 269 HD11 LEU 38 1HD1 LEU 38 11.487 4.108 -1.399 270 HD12 LEU 38 2HD1 LEU 38 10.257 5.266 -1.958 271 HD13 LEU 38 3HD1 LEU 38 10.799 5.292 -0.262 272 HD21 LEU 38 3HD2 LEU 38 9.014 2.187 0.752 273 HD22 LEU 38 1HD2 LEU 38 10.752 2.524 0.570 274 HD23 LEU 38 2HD2 LEU 38 9.700 3.700 1.392 275 H CYS 39 H CYS 39 4.838 4.264 0.238 276 HA CYS 39 HA CYS 39 3.013 4.552 -1.774 277 HB2 CYS 39 1HB CYS 39 2.039 6.372 -0.137 278 HB3 CYS 39 2HB CYS 39 2.047 4.677 0.306 279 HA PRO 40 HA PRO 40 4.654 8.030 -3.994 280 HB2 PRO 40 2HB PRO 40 2.614 8.313 -5.779 281 HB3 PRO 40 3HB PRO 40 3.697 6.884 -5.799 282 HG2 PRO 40 2HG PRO 40 0.989 7.122 -4.629 283 HG3 PRO 40 3HG PRO 40 1.668 5.805 -5.640 284 HD2 PRO 40 2HD PRO 40 1.500 5.708 -2.862 285 HD3 PRO 40 3HD PRO 40 2.776 4.865 -3.792 286 H GLU 41 H GLU 41 4.411 9.397 -1.938 287 HA GLU 41 HA GLU 41 3.009 11.652 -2.449 288 HB2 GLU 41 1HB GLU 41 1.256 9.583 -1.411 289 HB3 GLU 41 2HB GLU 41 1.357 10.889 -0.247 290 HG2 GLU 41 1HG GLU 41 0.533 11.078 -3.175 291 HG3 GLU 41 2HG GLU 41 -0.452 11.424 -1.767 292 HE2 GLU 41 HE GLU 41 1.371 14.034 -0.711 293 H CYS 42 H CYS 42 3.835 9.344 0.214 294 HA CYS 42 HA CYS 42 5.281 11.556 1.469 295 HB2 CYS 42 1HB CYS 42 4.353 11.247 3.517 296 HB3 CYS 42 2HB CYS 42 2.995 10.677 2.567 297 H SER 43 H SER 43 4.781 8.011 0.994 298 HA SER 43 HA SER 43 6.349 6.518 0.486 299 HB2 SER 43 1HB SER 43 7.959 8.627 0.213 300 HB3 SER 43 2HB SER 43 8.601 8.084 1.750 301 HG SER 43 HG SER 43 9.350 7.189 -0.580 302 H LEU 44 H LEU 44 6.707 4.682 1.753 303 HA LEU 44 HA LEU 44 7.084 5.134 4.622 304 HB2 LEU 44 1HB LEU 44 4.671 4.430 3.558 305 HB3 LEU 44 2HB LEU 44 5.371 2.857 3.886 306 HG LEU 44 HG LEU 44 5.566 3.306 6.216 307 HD11 LEU 44 1HD1 LEU 44 5.166 6.162 5.409 308 HD12 LEU 44 2HD1 LEU 44 4.663 5.634 7.033 309 HD13 LEU 44 3HD1 LEU 44 6.356 5.440 6.519 310 HD21 LEU 44 3HD2 LEU 44 3.416 2.605 6.011 311 HD22 LEU 44 1HD2 LEU 44 3.103 4.235 6.655 312 HD23 LEU 44 2HD2 LEU 44 2.965 3.926 4.907 313 H GLY 45 H GLY 45 8.290 3.490 5.706 314 HA2 GLY 45 1HA GLY 45 10.156 2.141 3.966 315 HA3 GLY 45 2HA GLY 45 10.175 2.211 5.716 316 H LYS 46 H LYS 46 7.052 1.381 4.496 317 HA LYS 46 HA LYS 46 5.887 -0.493 4.420 318 HB2 LYS 46 1HB LYS 46 8.598 -1.680 3.804 319 HB3 LYS 46 2HB LYS 46 7.149 -2.662 3.888 320 HG2 LYS 46 1HG LYS 46 6.443 -0.405 2.300 321 HG3 LYS 46 2HG LYS 46 8.038 -0.881 1.751 322 HD2 LYS 46 1HD LYS 46 6.040 -3.085 2.192 323 HD3 LYS 46 2HD LYS 46 5.766 -2.033 0.818 324 HE2 LYS 46 1HE LYS 46 7.706 -2.723 -0.286 325 HE3 LYS 46 2HE LYS 46 8.567 -3.063 1.201 326 HZ1 LYS 46 2HZ LYS 46 6.290 -4.719 0.263 327 HZ3 LYS 46 1HZ LYS 46 7.317 -5.078 1.474 328 H ASP 47 H ASP 47 6.708 0.668 6.920 329 HA ASP 47 HA ASP 47 6.535 -1.750 8.513 330 HB2 ASP 47 1HB ASP 47 8.501 0.540 8.821 331 HB3 ASP 47 2HB ASP 47 7.984 -0.352 10.238 332 HD2 ASP 47 HD ASP 47 8.852 -2.578 10.378 333 H VAL 48 H VAL 48 4.348 -0.178 7.739 334 HA VAL 48 HA VAL 48 3.449 0.813 10.266 335 HB VAL 48 HB VAL 48 3.903 2.694 7.947 336 HG11 VAL 48 1HG1 VAL 48 1.669 3.118 8.740 337 HG12 VAL 48 2HG1 VAL 48 2.209 3.080 10.435 338 HG13 VAL 48 3HG1 VAL 48 2.735 4.400 9.363 339 HG21 VAL 48 3HG2 VAL 48 5.856 2.611 9.265 340 HG22 VAL 48 1HG2 VAL 48 4.982 4.052 9.838 341 HG23 VAL 48 2HG2 VAL 48 4.934 2.546 10.786 342 H PHE 49 H PHE 49 2.863 0.853 6.681 343 HA PHE 49 HA PHE 49 0.333 1.054 6.323 344 HB2 PHE 49 1HB PHE 49 2.415 -0.875 5.417 345 HB3 PHE 49 2HB PHE 49 0.798 -1.512 5.195 346 HD1 PHE 49 1HD PHE 49 2.883 1.478 4.448 347 HD2 PHE 49 2HD PHE 49 -0.449 -0.898 3.325 348 HE1 PHE 49 1HE PHE 49 2.650 2.804 2.329 349 HE2 PHE 49 2HE PHE 49 -0.682 0.428 1.207 350 HZ PHE 49 HZ PHE 49 0.871 2.264 0.734 351 H GLU 50 H GLU 50 -1.604 0.401 7.143 352 HA GLU 50 HA GLU 50 -1.933 -0.964 9.370 353 HB2 GLU 50 1HB GLU 50 -3.704 -0.802 6.915 354 HB3 GLU 50 2HB GLU 50 -4.243 -1.674 8.336 355 HG2 GLU 50 1HG GLU 50 -3.395 0.613 9.546 356 HG3 GLU 50 2HG GLU 50 -3.790 1.272 7.971 357 HE2 GLU 50 HE GLU 50 -6.399 1.150 7.541 358 H GLU 51 H GLU 51 -1.817 -2.449 6.068 359 HA GLU 51 HA GLU 51 -0.917 -4.421 5.552 360 HB2 GLU 51 1HB GLU 51 0.004 -4.433 8.042 361 HB3 GLU 51 2HB GLU 51 -1.295 -5.576 8.319 362 HG2 GLU 51 1HG GLU 51 -0.421 -6.925 6.331 363 HG3 GLU 51 2HG GLU 51 0.957 -5.844 6.276 364 HE2 GLU 51 HE GLU 51 2.389 -6.502 9.013 365 H LEU 52 H LEU 52 -3.022 -4.336 4.399 366 HA LEU 52 HA LEU 52 -4.563 -6.649 4.989 367 HB2 LEU 52 1HB LEU 52 -5.397 -4.207 6.185 368 HB3 LEU 52 2HB LEU 52 -6.526 -4.578 4.897 369 HG LEU 52 HG LEU 52 -5.829 -6.299 7.285 370 HD11 LEU 52 1HD1 LEU 52 -7.578 -5.328 8.237 371 HD12 LEU 52 2HD1 LEU 52 -7.840 -4.333 6.785 372 HD13 LEU 52 3HD1 LEU 52 -8.623 -5.925 6.926 373 HD21 LEU 52 3HD2 LEU 52 -7.979 -7.315 5.605 374 HD22 LEU 52 1HD2 LEU 52 -6.416 -7.278 4.755 375 HD23 LEU 52 2HD2 LEU 52 -6.569 -8.151 6.298 376 H ALA 53 H ALA 53 -3.930 -7.274 2.900 377 HA ALA 53 HA ALA 53 -5.491 -6.036 0.815 378 HB1 ALA 53 1HB ALA 53 -3.031 -6.200 -0.447 379 HB2 ALA 53 2HB ALA 53 -3.795 -4.702 0.137 380 HB3 ALA 53 3HB ALA 53 -2.605 -5.551 1.154 381 H SER 54 H SER 54 -4.484 -7.337 -1.389 382 HA SER 54 HA SER 54 -4.857 -9.267 -2.370 383 HB2 SER 54 1HB SER 54 -2.448 -9.382 -1.941 384 HB3 SER 54 2HB SER 54 -2.718 -10.050 -0.344 385 HG SER 54 HG SER 54 -2.640 -11.966 -1.281 386 H GLU 55 H GLU 55 -7.017 -9.854 -1.874 387 HA GLU 55 HA GLU 55 -8.031 -10.675 0.444 388 HB2 GLU 55 1HB GLU 55 -9.693 -11.993 -0.906 389 HB3 GLU 55 2HB GLU 55 -9.420 -10.375 -1.523 390 HG2 GLU 55 1HG GLU 55 -8.298 -11.126 -3.422 391 HG3 GLU 55 2HG GLU 55 -7.653 -12.544 -2.619 392 HE2 GLU 55 HE GLU 55 -10.933 -11.379 -3.244 393 H ALA 56 H ALA 56 -8.089 -12.526 1.740 394 HA ALA 56 HA ALA 56 -6.000 -14.437 1.234 395 HB1 ALA 56 1HB ALA 56 -6.624 -15.264 3.472 396 HB2 ALA 56 2HB ALA 56 -6.420 -13.496 3.483 397 HB3 ALA 56 3HB ALA 56 -8.053 -14.203 3.473 398 H LYS 57 H LYS 57 -9.574 -14.655 1.897 399 HA LYS 57 HA LYS 57 -11.052 -16.218 1.368 400 HB2 LYS 57 1HB LYS 57 -10.355 -15.052 -0.882 401 HB3 LYS 57 2HB LYS 57 -9.676 -16.619 -1.273 402 HG2 LYS 57 1HG LYS 57 -11.888 -17.694 -0.796 403 HG3 LYS 57 2HG LYS 57 -12.566 -16.125 -0.409 404 HD2 LYS 57 1HD LYS 57 -12.422 -15.359 -2.657 405 HD3 LYS 57 2HD LYS 57 -11.219 -16.557 -3.092 406 HE2 LYS 57 1HE LYS 57 -13.451 -18.074 -2.223 407 HE3 LYS 57 2HE LYS 57 -14.145 -16.764 -3.157 408 HZ1 LYS 57 2HZ LYS 57 -12.625 -18.992 -4.094 409 HZ3 LYS 57 1HZ LYS 57 -11.987 -17.597 -4.642 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -10.175 -9.605 -1.575 2 HA2 GLY 1 1HA GLY 1 -9.264 -7.549 -2.061 3 HA3 GLY 1 2HA GLY 1 -10.972 -7.219 -2.278 4 HA PRO 2 HA PRO 2 -9.775 -5.355 1.941 5 HB2 PRO 2 2HB PRO 2 -7.449 -6.023 3.170 6 HB3 PRO 2 3HB PRO 2 -8.830 -7.165 3.104 7 HG2 PRO 2 2HG PRO 2 -6.481 -7.034 1.595 8 HG3 PRO 2 3HG PRO 2 -7.131 -8.685 1.857 9 HD2 PRO 2 2HD PRO 2 -7.324 -7.251 -0.545 10 HD3 PRO 2 3HD PRO 2 -8.480 -8.524 -0.050 11 H ARG 3 H ARG 3 -8.375 -3.481 2.786 12 HA ARG 3 HA ARG 3 -6.444 -2.680 0.779 13 HB2 ARG 3 1HB ARG 3 -7.908 -0.360 1.789 14 HB3 ARG 3 2HB ARG 3 -7.640 -0.848 0.128 15 HG2 ARG 3 1HG ARG 3 -9.995 -0.951 0.342 16 HG3 ARG 3 2HG ARG 3 -9.507 -2.624 0.530 17 HD2 ARG 3 1HD ARG 3 -10.165 -2.704 2.730 18 HD3 ARG 3 2HD ARG 3 -9.516 -1.115 3.087 19 HE ARG 3 HE ARG 3 -11.665 -0.436 1.571 20 HH11 ARG 3 2HH2 ARG 3 -11.391 -2.747 4.243 21 HH12 ARG 3 1HH2 ARG 3 -13.036 -2.549 4.747 22 HH22 ARG 3 1HH ARG 3 -14.455 -1.031 3.553 23 H MET 4 H MET 4 -4.880 -1.026 1.603 24 HA MET 4 HA MET 4 -4.855 -0.980 4.522 25 HB2 MET 4 1HB MET 4 -2.413 -1.037 2.670 26 HB3 MET 4 2HB MET 4 -2.401 -1.211 4.414 27 HG2 MET 4 1HG MET 4 -3.336 -3.395 4.339 28 HG3 MET 4 2HG MET 4 -4.002 -3.165 2.735 29 HE1 MET 4 3HE MET 4 -1.642 -4.304 4.942 30 HE2 MET 4 1HE MET 4 -0.984 -5.573 3.882 31 HE3 MET 4 2HE MET 4 0.002 -4.145 4.279 32 H GLN 5 H GLN 5 -3.572 0.890 5.459 33 HA GLN 5 HA GLN 5 -3.389 3.111 3.606 34 HB2 GLN 5 1HB GLN 5 -4.895 3.210 6.258 35 HB3 GLN 5 2HB GLN 5 -4.543 4.605 5.257 36 HG2 GLN 5 1HG GLN 5 -6.408 4.195 4.039 37 HG3 GLN 5 2HG GLN 5 -5.729 2.664 3.523 38 HE21 GLN 5 1HE2 GLN 5 -6.042 0.789 4.861 39 HE22 GLN 5 2HE2 GLN 5 -7.464 0.627 5.836 40 H CYS 6 H CYS 6 -1.848 4.744 4.244 41 HA CYS 6 HA CYS 6 0.077 3.703 6.141 42 HB2 CYS 6 1HB CYS 6 1.098 6.073 5.073 43 HB3 CYS 6 2HB CYS 6 1.495 4.438 4.582 44 H SER 7 H SER 7 0.867 5.034 7.931 45 HA SER 7 HA SER 7 -1.210 6.797 8.881 46 HB2 SER 7 1HB SER 7 -0.312 6.462 11.056 47 HB3 SER 7 2HB SER 7 -0.171 4.900 10.275 48 HG SER 7 HG SER 7 1.828 5.241 11.197 49 H VAL 8 H VAL 8 -0.158 8.134 6.847 50 HA VAL 8 HA VAL 8 1.323 10.243 8.131 51 HB VAL 8 HB VAL 8 2.470 8.812 5.727 52 HG11 VAL 8 1HG1 VAL 8 2.886 11.232 5.717 53 HG12 VAL 8 2HG1 VAL 8 3.548 11.132 7.366 54 HG13 VAL 8 3HG1 VAL 8 4.386 10.323 6.020 55 HG21 VAL 8 3HG2 VAL 8 3.365 8.825 8.628 56 HG22 VAL 8 1HG2 VAL 8 2.796 7.430 7.680 57 HG23 VAL 8 2HG2 VAL 8 4.341 8.214 7.270 58 H CYS 9 H CYS 9 0.247 8.899 4.930 59 HA CYS 9 HA CYS 9 -0.781 11.572 4.337 60 HB2 CYS 9 1HB CYS 9 -0.442 11.187 2.078 61 HB3 CYS 9 2HB CYS 9 0.929 10.361 2.791 62 H GLN 10 H GLN 10 -1.484 8.041 4.477 63 HA GLN 10 HA GLN 10 -3.391 7.071 5.037 64 HB2 GLN 10 1HB GLN 10 -4.101 9.615 5.716 65 HB3 GLN 10 2HB GLN 10 -5.215 9.352 4.389 66 HG2 GLN 10 1HG GLN 10 -5.241 6.954 5.959 67 HG3 GLN 10 2HG GLN 10 -5.325 8.289 7.091 68 HE21 GLN 10 1HE2 GLN 10 -7.116 6.220 5.354 69 HE22 GLN 10 2HE2 GLN 10 -8.579 7.117 5.123 70 H TRP 11 H TRP 11 -2.330 6.455 2.729 71 HA TRP 11 HA TRP 11 -4.274 6.993 0.614 72 HB2 TRP 11 1HB TRP 11 -1.890 7.409 0.163 73 HB3 TRP 11 2HB TRP 11 -1.531 5.726 0.493 74 HD1 TRP 11 HD TRP 11 -3.876 7.650 -1.990 75 HE1 TRP 11 1HE TRP 11 -3.911 6.445 -4.337 76 HE3 TRP 11 3HE TRP 11 -0.843 3.796 -0.645 77 HZ2 TRP 11 2HZ TRP 11 -2.695 4.068 -5.346 78 HZ3 TRP 11 3HZ TRP 11 -0.317 2.076 -2.371 79 HH2 TRP 11 HH TRP 11 -1.189 2.168 -4.653 80 H ILE 12 H ILE 12 -5.824 5.480 0.177 81 HA ILE 12 HA ILE 12 -5.656 2.947 1.556 82 HB ILE 12 HB ILE 12 -7.785 4.369 -0.023 83 HG12 ILE 12 1HG1 ILE 12 -7.781 3.425 2.854 84 HG13 ILE 12 2HG1 ILE 12 -7.238 5.018 2.366 85 HG21 ILE 12 1HG2 ILE 12 -9.289 2.512 0.371 86 HG22 ILE 12 2HG2 ILE 12 -7.881 1.964 -0.572 87 HG23 ILE 12 3HG2 ILE 12 -7.991 1.588 1.165 88 HD11 ILE 12 3HD1 ILE 12 -9.415 5.597 1.480 89 HD12 ILE 12 1HD1 ILE 12 -9.983 3.916 1.624 90 HD13 ILE 12 2HD1 ILE 12 -9.680 4.882 3.088 91 H TYR 13 H TYR 13 -4.413 1.454 0.695 92 HA TYR 13 HA TYR 13 -3.993 1.312 -2.197 93 HB2 TYR 13 1HB TYR 13 -2.094 0.929 -0.796 94 HB3 TYR 13 2HB TYR 13 -2.975 -0.249 0.191 95 HD1 TYR 13 2HD TYR 13 -3.534 -2.493 -0.742 96 HD2 TYR 13 1HD TYR 13 -1.037 0.298 -2.847 97 HE1 TYR 13 2HE TYR 13 -2.705 -4.327 -2.190 98 HE2 TYR 13 1HE TYR 13 -0.208 -1.537 -4.295 99 HH TYR 13 HH TYR 13 -0.469 -3.743 -4.903 100 H ASP 14 H ASP 14 -5.810 0.550 -3.322 101 HA ASP 14 HA ASP 14 -7.161 -1.717 -2.144 102 HB2 ASP 14 1HB ASP 14 -8.497 -1.212 -4.489 103 HB3 ASP 14 2HB ASP 14 -8.893 -0.465 -2.954 104 HD2 ASP 14 HD ASP 14 -7.771 1.686 -5.991 105 HA PRO 15 HA PRO 15 -4.478 -4.316 -4.665 106 HB2 PRO 15 2HB PRO 15 -6.653 -6.266 -3.849 107 HB3 PRO 15 3HB PRO 15 -4.866 -6.409 -3.775 108 HG2 PRO 15 2HG PRO 15 -6.208 -5.788 -1.369 109 HG3 PRO 15 3HG PRO 15 -4.693 -5.197 -2.127 110 HD2 PRO 15 2HD PRO 15 -7.508 -3.949 -2.193 111 HD3 PRO 15 3HD PRO 15 -5.992 -3.203 -1.602 112 H ALA 16 H ALA 16 -7.941 -3.609 -5.025 113 HA ALA 16 HA ALA 16 -8.232 -5.114 -7.432 114 HB1 ALA 16 1HB ALA 16 -9.903 -3.873 -5.562 115 HB2 ALA 16 2HB ALA 16 -10.103 -2.897 -7.038 116 HB3 ALA 16 3HB ALA 16 -10.410 -4.650 -7.081 117 H LYS 17 H LYS 17 -6.549 -2.271 -6.601 118 HA LYS 17 HA LYS 17 -6.410 -1.560 -9.425 119 HB2 LYS 17 1HB LYS 17 -6.530 0.720 -7.516 120 HB3 LYS 17 2HB LYS 17 -7.037 0.622 -9.190 121 HG2 LYS 17 1HG LYS 17 -8.495 -0.818 -6.928 122 HG3 LYS 17 2HG LYS 17 -8.929 0.791 -7.469 123 HD2 LYS 17 1HD LYS 17 -8.671 -1.019 -9.755 124 HD3 LYS 17 2HD LYS 17 -9.787 -1.679 -8.577 125 HE2 LYS 17 1HE LYS 17 -11.318 0.056 -8.833 126 HE3 LYS 17 2HE LYS 17 -10.081 1.246 -9.185 127 HZ1 LYS 17 2HZ LYS 17 -11.416 0.640 -11.160 128 HZ3 LYS 17 1HZ LYS 17 -10.888 -0.898 -11.077 129 H GLY 18 H GLY 18 -5.182 -0.347 -6.224 130 HA2 GLY 18 1HA GLY 18 -3.086 0.025 -5.504 131 HA3 GLY 18 2HA GLY 18 -2.663 -1.462 -6.330 132 H GLU 19 H GLU 19 -0.983 -1.232 -7.730 133 HA GLU 19 HA GLU 19 -1.048 1.029 -9.512 134 HB2 GLU 19 1HB GLU 19 0.956 0.661 -7.336 135 HB3 GLU 19 2HB GLU 19 1.631 1.045 -8.906 136 HG2 GLU 19 1HG GLU 19 -0.490 2.651 -7.407 137 HG3 GLU 19 2HG GLU 19 1.177 3.123 -7.670 138 HE2 GLU 19 HE GLU 19 -0.314 5.084 -9.543 139 HA PRO 20 HA PRO 20 -0.075 -3.000 -11.515 140 HB2 PRO 20 2HB PRO 20 -1.601 -1.674 -13.718 141 HB3 PRO 20 3HB PRO 20 -1.859 -3.254 -12.909 142 HG2 PRO 20 2HG PRO 20 -3.476 -1.181 -12.543 143 HG3 PRO 20 3HG PRO 20 -3.295 -2.336 -11.182 144 HD2 PRO 20 2HD PRO 20 -2.027 0.378 -11.645 145 HD3 PRO 20 3HD PRO 20 -2.473 -0.417 -10.105 146 H MET 21 H MET 21 0.963 0.202 -11.697 147 HA MET 21 HA MET 21 2.655 -0.494 -13.970 148 HB2 MET 21 1HB MET 21 1.489 2.234 -13.180 149 HB3 MET 21 2HB MET 21 2.683 2.022 -14.445 150 HG2 MET 21 1HG MET 21 1.098 1.373 -15.945 151 HG3 MET 21 2HG MET 21 0.463 0.162 -14.849 152 HE1 MET 21 3HE MET 21 -2.465 1.509 -13.218 153 HE2 MET 21 1HE MET 21 -2.390 0.597 -14.744 154 HE3 MET 21 2HE MET 21 -1.231 0.246 -13.440 155 H GLN 22 H GLN 22 3.032 -0.895 -11.022 156 HA GLN 22 HA GLN 22 5.506 0.604 -10.855 157 HB2 GLN 22 1HB GLN 22 3.772 1.810 -9.493 158 HB3 GLN 22 2HB GLN 22 3.535 0.360 -8.539 159 HG2 GLN 22 1HG GLN 22 5.488 0.649 -7.364 160 HG3 GLN 22 2HG GLN 22 6.382 1.175 -8.776 161 HE21 GLN 22 1HE2 GLN 22 3.915 2.168 -6.440 162 HE22 GLN 22 2HE2 GLN 22 4.277 3.862 -6.429 163 H ASP 23 H ASP 23 4.771 -2.184 -11.600 164 HA ASP 23 HA ASP 23 5.630 -4.160 -11.311 165 HB2 ASP 23 1HB ASP 23 7.386 -2.513 -9.704 166 HB3 ASP 23 2HB ASP 23 7.117 -4.017 -8.846 167 HD2 ASP 23 HD ASP 23 9.110 -2.628 -10.781 168 H VAL 24 H VAL 24 3.236 -2.948 -9.771 169 HA VAL 24 HA VAL 24 2.934 -5.178 -7.910 170 HB VAL 24 HB VAL 24 2.178 -2.330 -7.242 171 HG11 VAL 24 1HG1 VAL 24 1.415 -3.099 -5.208 172 HG12 VAL 24 2HG1 VAL 24 0.989 -4.473 -6.257 173 HG13 VAL 24 3HG1 VAL 24 2.448 -4.547 -5.240 174 HG21 VAL 24 3HG2 VAL 24 4.428 -2.087 -6.992 175 HG22 VAL 24 1HG2 VAL 24 4.095 -2.888 -5.438 176 HG23 VAL 24 2HG2 VAL 24 4.711 -3.836 -6.813 177 H ALA 25 H ALA 25 1.585 -6.226 -9.424 178 HA ALA 25 HA ALA 25 -0.586 -4.788 -10.617 179 HB1 ALA 25 1HB ALA 25 -0.769 -6.640 -11.940 180 HB2 ALA 25 2HB ALA 25 0.859 -6.985 -11.308 181 HB3 ALA 25 3HB ALA 25 -0.564 -7.765 -10.576 182 HA PRO 26 HA PRO 26 -3.830 -4.993 -7.738 183 HB2 PRO 26 2HB PRO 26 -5.324 -6.604 -9.827 184 HB3 PRO 26 3HB PRO 26 -5.803 -5.128 -8.927 185 HG2 PRO 26 2HG PRO 26 -4.945 -4.867 -11.518 186 HG3 PRO 26 3HG PRO 26 -4.690 -3.769 -10.122 187 HD2 PRO 26 2HD PRO 26 -2.790 -5.749 -11.449 188 HD3 PRO 26 3HD PRO 26 -2.445 -4.123 -10.787 189 H GLY 27 H GLY 27 -4.958 -6.534 -6.281 190 HA2 GLY 27 1HA GLY 27 -5.031 -8.427 -5.074 191 HA3 GLY 27 2HA GLY 27 -5.008 -9.282 -6.604 192 H THR 28 H THR 28 -2.588 -7.271 -4.768 193 HA THR 28 HA THR 28 -0.752 -9.568 -4.959 194 HB THR 28 HB THR 28 -0.327 -6.598 -5.516 195 HG1 THR 28 1HG THR 28 0.274 -7.558 -7.509 196 HG21 THR 28 3HG2 THR 28 1.503 -7.969 -4.009 197 HG22 THR 28 1HG2 THR 28 1.967 -8.532 -5.632 198 HG23 THR 28 2HG2 THR 28 1.975 -6.792 -5.257 199 HA PRO 29 HA PRO 29 -1.266 -9.549 -0.570 200 HB2 PRO 29 2HB PRO 29 1.333 -11.074 -1.041 201 HB3 PRO 29 3HB PRO 29 -0.030 -11.418 0.073 202 HG2 PRO 29 2HG PRO 29 -0.141 -12.821 -2.437 203 HG3 PRO 29 3HG PRO 29 -1.283 -11.902 -1.404 204 HD2 PRO 29 2HD PRO 29 0.257 -10.948 -3.896 205 HD3 PRO 29 3HD PRO 29 -1.517 -10.998 -3.664 206 H TRP 30 H TRP 30 -0.534 -8.007 0.911 207 HA TRP 30 HA TRP 30 1.172 -6.007 0.197 208 HB2 TRP 30 1HB TRP 30 -0.262 -5.724 2.048 209 HB3 TRP 30 2HB TRP 30 0.399 -7.112 2.889 210 HD1 TRP 30 HD TRP 30 2.212 -6.530 4.686 211 HE1 TRP 30 1HE TRP 30 3.748 -4.488 5.347 212 HE3 TRP 30 3HE TRP 30 0.987 -3.639 0.686 213 HZ2 TRP 30 2HZ TRP 30 4.266 -1.950 4.149 214 HZ3 TRP 30 3HZ TRP 30 2.052 -1.393 0.507 215 HH2 TRP 30 HH TRP 30 3.641 -0.537 2.155 216 H SER 31 H SER 31 1.865 -9.209 1.684 217 HA SER 31 HA SER 31 4.531 -8.686 2.256 218 HB2 SER 31 1HB SER 31 2.826 -11.141 1.931 219 HB3 SER 31 2HB SER 31 4.564 -11.366 1.925 220 HG SER 31 HG SER 31 4.472 -9.955 3.977 221 H GLU 32 H GLU 32 2.805 -9.712 -0.696 222 HA GLU 32 HA GLU 32 5.116 -10.549 -2.058 223 HB2 GLU 32 1HB GLU 32 2.677 -11.164 -2.564 224 HB3 GLU 32 2HB GLU 32 2.507 -9.581 -3.296 225 HG2 GLU 32 1HG GLU 32 3.307 -10.483 -5.219 226 HG3 GLU 32 2HG GLU 32 4.875 -10.575 -4.441 227 HE2 GLU 32 HE GLU 32 2.567 -13.770 -4.957 228 H VAL 33 H VAL 33 3.853 -7.453 -1.183 229 HA VAL 33 HA VAL 33 4.891 -6.036 -3.443 230 HB VAL 33 HB VAL 33 3.910 -5.129 -0.730 231 HG11 VAL 33 1HG1 VAL 33 4.225 -2.966 -1.315 232 HG12 VAL 33 2HG1 VAL 33 5.464 -3.644 -2.399 233 HG13 VAL 33 3HG1 VAL 33 3.843 -3.261 -3.028 234 HG21 VAL 33 3HG2 VAL 33 2.452 -6.296 -2.753 235 HG22 VAL 33 1HG2 VAL 33 1.803 -5.196 -1.514 236 HG23 VAL 33 2HG2 VAL 33 2.274 -4.561 -3.108 237 HA PRO 34 HA PRO 34 9.112 -6.355 -2.128 238 HB2 PRO 34 2HB PRO 34 9.385 -4.217 -4.230 239 HB3 PRO 34 3HB PRO 34 10.199 -5.807 -4.067 240 HG2 PRO 34 2HG PRO 34 8.219 -5.465 -5.958 241 HG3 PRO 34 3HG PRO 34 8.631 -6.901 -4.965 242 HD2 PRO 34 2HD PRO 34 6.443 -4.794 -4.560 243 HD3 PRO 34 3HD PRO 34 6.308 -6.577 -4.475 244 H ASP 35 H ASP 35 10.384 -5.117 -0.672 245 HA ASP 35 HA ASP 35 9.141 -3.062 0.639 246 HB2 ASP 35 1HB ASP 35 11.548 -2.565 1.477 247 HB3 ASP 35 2HB ASP 35 10.892 -4.158 1.796 248 HD2 ASP 35 HD ASP 35 13.483 -2.578 0.596 249 H ASN 36 H ASN 36 11.031 -3.154 -2.333 250 HA ASN 36 HA ASN 36 12.146 -0.683 -2.406 251 HB2 ASN 36 1HB ASN 36 11.588 -2.794 -4.248 252 HB3 ASN 36 2HB ASN 36 10.937 -1.349 -4.995 253 HD21 ASN 36 1HD2 ASN 36 12.309 0.512 -5.229 254 HD22 ASN 36 2HD2 ASN 36 14.018 0.329 -5.440 255 H PHE 37 H PHE 37 8.766 -1.681 -2.560 256 HA PHE 37 HA PHE 37 7.716 0.519 -3.941 257 HB2 PHE 37 1HB PHE 37 6.617 -1.725 -3.404 258 HB3 PHE 37 2HB PHE 37 6.568 -1.269 -1.713 259 HD1 PHE 37 1HD PHE 37 5.160 -0.588 -5.039 260 HD2 PHE 37 2HD PHE 37 4.909 0.259 -0.888 261 HE1 PHE 37 1HE PHE 37 2.918 0.483 -5.393 262 HE2 PHE 37 2HE PHE 37 2.667 1.331 -1.243 263 HZ PHE 37 HZ PHE 37 1.698 1.430 -3.491 264 H LEU 38 H LEU 38 7.154 2.575 -3.311 265 HA LEU 38 HA LEU 38 7.166 3.139 -0.444 266 HB2 LEU 38 1HB LEU 38 8.551 4.976 -2.375 267 HB3 LEU 38 2HB LEU 38 8.615 4.967 -0.624 268 HG LEU 38 HG LEU 38 9.870 2.925 -2.478 269 HD11 LEU 38 1HD1 LEU 38 11.706 4.237 -0.702 270 HD12 LEU 38 2HD1 LEU 38 11.683 4.200 -2.482 271 HD13 LEU 38 3HD1 LEU 38 10.776 5.456 -1.606 272 HD21 LEU 38 3HD2 LEU 38 10.793 2.726 0.231 273 HD22 LEU 38 1HD2 LEU 38 9.019 2.581 0.198 274 HD23 LEU 38 2HD2 LEU 38 10.019 1.493 -0.793 275 H CYS 39 H CYS 39 5.328 4.169 0.124 276 HA CYS 39 HA CYS 39 3.264 4.646 -1.499 277 HB2 CYS 39 1HB CYS 39 3.279 4.797 1.008 278 HB3 CYS 39 2HB CYS 39 3.952 6.410 0.873 279 HA PRO 40 HA PRO 40 4.634 7.932 -4.150 280 HB2 PRO 40 2HB PRO 40 2.248 8.362 -5.424 281 HB3 PRO 40 3HB PRO 40 3.222 6.877 -5.679 282 HG2 PRO 40 2HG PRO 40 1.000 7.347 -3.959 283 HG3 PRO 40 3HG PRO 40 1.123 5.898 -5.008 284 HD2 PRO 40 2HD PRO 40 1.696 5.732 -2.371 285 HD3 PRO 40 3HD PRO 40 2.757 4.911 -3.556 286 H GLU 41 H GLU 41 2.764 8.171 -1.337 287 HA GLU 41 HA GLU 41 2.507 11.042 -1.785 288 HB2 GLU 41 1HB GLU 41 0.563 9.064 -0.665 289 HB3 GLU 41 2HB GLU 41 0.658 10.600 0.172 290 HG2 GLU 41 1HG GLU 41 0.125 10.208 -2.810 291 HG3 GLU 41 2HG GLU 41 -1.051 10.701 -1.608 292 HE2 GLU 41 HE GLU 41 1.315 13.418 -3.218 293 H CYS 42 H CYS 42 3.215 8.336 0.461 294 HA CYS 42 HA CYS 42 4.843 10.190 1.995 295 HB2 CYS 42 1HB CYS 42 3.973 9.590 4.106 296 HB3 CYS 42 2HB CYS 42 2.574 9.957 3.116 297 H SER 43 H SER 43 5.683 8.403 -0.012 298 HA SER 43 HA SER 43 6.506 6.302 -0.345 299 HB2 SER 43 1HB SER 43 8.300 8.067 1.300 300 HB3 SER 43 2HB SER 43 8.851 6.433 0.991 301 HG SER 43 HG SER 43 9.424 7.079 -0.958 302 H LEU 44 H LEU 44 8.063 6.531 2.852 303 HA LEU 44 HA LEU 44 7.675 5.435 4.775 304 HB2 LEU 44 1HB LEU 44 5.184 5.322 3.749 305 HB3 LEU 44 2HB LEU 44 5.586 3.616 3.728 306 HG LEU 44 HG LEU 44 6.222 3.875 6.193 307 HD11 LEU 44 1HD1 LEU 44 6.057 6.526 5.778 308 HD12 LEU 44 2HD1 LEU 44 4.408 6.217 6.372 309 HD13 LEU 44 3HD1 LEU 44 5.812 5.763 7.367 310 HD21 LEU 44 3HD2 LEU 44 3.619 3.638 4.913 311 HD22 LEU 44 1HD2 LEU 44 4.322 2.718 6.265 312 HD23 LEU 44 2HD2 LEU 44 3.497 4.265 6.575 313 H GLY 45 H GLY 45 8.787 3.649 5.590 314 HA2 GLY 45 1HA GLY 45 10.171 2.072 3.579 315 HA3 GLY 45 2HA GLY 45 10.511 2.161 5.296 316 H LYS 46 H LYS 46 7.273 1.561 3.843 317 HA LYS 46 HA LYS 46 5.806 -0.046 4.357 318 HB2 LYS 46 1HB LYS 46 8.168 -1.557 3.225 319 HB3 LYS 46 2HB LYS 46 6.630 -2.331 3.550 320 HG2 LYS 46 1HG LYS 46 5.911 0.020 2.175 321 HG3 LYS 46 2HG LYS 46 7.374 -0.501 1.363 322 HD2 LYS 46 1HD LYS 46 5.313 -2.610 1.973 323 HD3 LYS 46 2HD LYS 46 4.935 -1.464 0.702 324 HE2 LYS 46 1HE LYS 46 6.117 -2.891 -0.644 325 HE3 LYS 46 2HE LYS 46 7.528 -2.101 0.032 326 HZ1 LYS 46 2HZ LYS 46 7.610 -3.839 1.745 327 HZ3 LYS 46 1HZ LYS 46 7.672 -4.518 0.266 328 H ASP 47 H ASP 47 7.491 0.864 6.628 329 HA ASP 47 HA ASP 47 7.379 -1.617 8.159 330 HB2 ASP 47 1HB ASP 47 9.292 0.733 8.254 331 HB3 ASP 47 2HB ASP 47 9.024 -0.213 9.705 332 HD2 ASP 47 HD ASP 47 10.646 -1.443 9.925 333 H VAL 48 H VAL 48 5.068 -0.024 7.755 334 HA VAL 48 HA VAL 48 4.470 0.733 10.438 335 HB VAL 48 HB VAL 48 4.817 2.821 8.297 336 HG11 VAL 48 1HG1 VAL 48 3.675 4.349 10.069 337 HG12 VAL 48 2HG1 VAL 48 2.659 3.376 8.978 338 HG13 VAL 48 3HG1 VAL 48 2.937 2.838 10.652 339 HG21 VAL 48 3HG2 VAL 48 5.782 3.998 10.438 340 HG22 VAL 48 1HG2 VAL 48 5.887 2.335 11.064 341 HG23 VAL 48 2HG2 VAL 48 6.749 2.780 9.572 342 H PHE 49 H PHE 49 3.553 0.965 6.942 343 HA PHE 49 HA PHE 49 0.975 1.255 6.887 344 HB2 PHE 49 1HB PHE 49 2.920 -0.633 5.608 345 HB3 PHE 49 2HB PHE 49 1.252 -1.143 5.440 346 HD1 PHE 49 1HD PHE 49 3.583 1.649 4.751 347 HD2 PHE 49 2HD PHE 49 -0.184 -0.101 3.883 348 HE1 PHE 49 1HE PHE 49 3.294 3.229 2.822 349 HE2 PHE 49 2HE PHE 49 -0.473 1.478 1.954 350 HZ PHE 49 HZ PHE 49 1.269 3.124 1.446 351 H GLU 50 H GLU 50 -0.997 0.163 7.301 352 HA GLU 50 HA GLU 50 -0.675 -2.186 9.002 353 HB2 GLU 50 1HB GLU 50 -2.685 0.092 9.257 354 HB3 GLU 50 2HB GLU 50 -2.779 -1.394 10.180 355 HG2 GLU 50 1HG GLU 50 -0.266 -0.835 10.830 356 HG3 GLU 50 2HG GLU 50 -0.683 0.790 10.325 357 HE2 GLU 50 HE GLU 50 -0.569 0.344 13.468 358 H GLU 51 H GLU 51 -3.378 -2.927 9.238 359 HA GLU 51 HA GLU 51 -4.968 -4.008 8.232 360 HB2 GLU 51 1HB GLU 51 -4.584 -2.506 5.635 361 HB3 GLU 51 2HB GLU 51 -6.074 -3.056 6.376 362 HG2 GLU 51 1HG GLU 51 -4.302 -0.893 7.599 363 HG3 GLU 51 2HG GLU 51 -5.642 -0.540 6.527 364 HE2 GLU 51 HE GLU 51 -5.916 -2.056 10.152 365 H LEU 52 H LEU 52 -5.188 -4.641 5.298 366 HA LEU 52 HA LEU 52 -2.732 -6.037 4.712 367 HB2 LEU 52 1HB LEU 52 -4.312 -8.157 4.401 368 HB3 LEU 52 2HB LEU 52 -3.377 -7.848 5.851 369 HG LEU 52 HG LEU 52 -5.690 -8.582 6.313 370 HD11 LEU 52 1HD1 LEU 52 -5.676 -5.788 7.325 371 HD12 LEU 52 2HD1 LEU 52 -5.854 -7.331 8.194 372 HD13 LEU 52 3HD1 LEU 52 -4.242 -6.783 7.674 373 HD21 LEU 52 3HD2 LEU 52 -6.940 -7.707 4.505 374 HD22 LEU 52 1HD2 LEU 52 -7.530 -6.878 5.965 375 HD23 LEU 52 2HD2 LEU 52 -6.423 -6.039 4.852 376 H ALA 53 H ALA 53 -3.057 -7.293 2.536 377 HA ALA 53 HA ALA 53 -5.036 -5.876 0.903 378 HB1 ALA 53 1HB ALA 53 -2.984 -6.041 -0.835 379 HB2 ALA 53 2HB ALA 53 -3.224 -4.636 0.231 380 HB3 ALA 53 3HB ALA 53 -2.054 -5.902 0.676 381 H SER 54 H SER 54 -4.464 -7.068 -1.547 382 HA SER 54 HA SER 54 -4.829 -8.859 -2.714 383 HB2 SER 54 1HB SER 54 -2.720 -9.731 -1.914 384 HB3 SER 54 2HB SER 54 -3.418 -10.207 -0.379 385 HG SER 54 HG SER 54 -3.153 -11.737 -2.521 386 H GLU 55 H GLU 55 -5.148 -10.685 0.376 387 HA GLU 55 HA GLU 55 -7.979 -10.407 0.367 388 HB2 GLU 55 1HB GLU 55 -7.006 -12.405 -1.286 389 HB3 GLU 55 2HB GLU 55 -7.265 -13.283 0.208 390 HG2 GLU 55 1HG GLU 55 -9.535 -13.171 0.012 391 HG3 GLU 55 2HG GLU 55 -9.504 -11.463 -0.380 392 HE2 GLU 55 HE GLU 55 -10.473 -11.619 -3.070 393 H ALA 56 H ALA 56 -8.947 -11.260 2.344 394 HA ALA 56 HA ALA 56 -6.982 -11.452 4.462 395 HB1 ALA 56 1HB ALA 56 -9.164 -10.017 4.393 396 HB2 ALA 56 2HB ALA 56 -9.985 -11.545 4.794 397 HB3 ALA 56 3HB ALA 56 -8.752 -10.881 5.893 398 H LYS 57 H LYS 57 -9.925 -13.303 3.381 399 HA LYS 57 HA LYS 57 -8.511 -15.766 3.786 400 HB2 LYS 57 1HB LYS 57 -10.312 -14.704 5.858 401 HB3 LYS 57 2HB LYS 57 -10.725 -16.323 5.329 402 HG2 LYS 57 1HG LYS 57 -8.857 -17.244 6.277 403 HG3 LYS 57 2HG LYS 57 -7.813 -15.963 5.693 404 HD2 LYS 57 1HD LYS 57 -8.429 -14.499 7.534 405 HD3 LYS 57 2HD LYS 57 -9.735 -15.559 8.026 406 HE2 LYS 57 1HE LYS 57 -8.076 -16.180 9.555 407 HE3 LYS 57 2HE LYS 57 -7.815 -17.370 8.295 408 HZ1 LYS 57 2HZ LYS 57 -6.166 -15.057 8.976 409 HZ3 LYS 57 1HZ LYS 57 -6.227 -15.459 7.399 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -10.679 -9.639 -1.212 2 HA2 GLY 1 1HA GLY 1 -9.245 -8.054 -1.924 3 HA3 GLY 1 2HA GLY 1 -10.595 -7.163 -2.598 4 HA PRO 2 HA PRO 2 -9.863 -5.849 2.042 5 HB2 PRO 2 2HB PRO 2 -7.025 -6.570 2.470 6 HB3 PRO 2 3HB PRO 2 -8.486 -7.030 3.403 7 HG2 PRO 2 2HG PRO 2 -7.077 -8.934 1.830 8 HG3 PRO 2 3HG PRO 2 -8.826 -8.974 2.228 9 HD2 PRO 2 2HD PRO 2 -7.396 -7.830 -0.229 10 HD3 PRO 2 3HD PRO 2 -8.834 -8.893 -0.168 11 H ARG 3 H ARG 3 -8.180 -4.084 3.017 12 HA ARG 3 HA ARG 3 -6.686 -2.908 0.858 13 HB2 ARG 3 1HB ARG 3 -8.673 -1.204 2.424 14 HB3 ARG 3 2HB ARG 3 -7.773 -0.745 0.992 15 HG2 ARG 3 1HG ARG 3 -9.830 -1.245 0.023 16 HG3 ARG 3 2HG ARG 3 -9.050 -2.808 -0.115 17 HD2 ARG 3 1HD ARG 3 -10.281 -3.737 1.683 18 HD3 ARG 3 2HD ARG 3 -10.623 -2.173 2.395 19 HE ARG 3 HE ARG 3 -12.088 -3.453 0.183 20 HH11 ARG 3 2HH2 ARG 3 -11.489 -0.442 1.951 21 HH12 ARG 3 1HH2 ARG 3 -12.966 0.301 1.434 22 HH22 ARG 3 1HH ARG 3 -14.448 -0.912 -0.007 23 H MET 4 H MET 4 -5.164 -1.193 1.662 24 HA MET 4 HA MET 4 -4.773 -1.445 4.545 25 HB2 MET 4 1HB MET 4 -2.634 -1.075 2.375 26 HB3 MET 4 2HB MET 4 -2.327 -1.324 4.083 27 HG2 MET 4 1HG MET 4 -3.422 -3.582 3.941 28 HG3 MET 4 2HG MET 4 -3.698 -3.333 2.228 29 HE1 MET 4 3HE MET 4 -1.838 -4.542 4.872 30 HE2 MET 4 1HE MET 4 -1.388 -5.824 3.722 31 HE3 MET 4 2HE MET 4 -0.133 -4.766 4.410 32 H GLN 5 H GLN 5 -3.669 0.441 5.587 33 HA GLN 5 HA GLN 5 -3.919 2.863 4.002 34 HB2 GLN 5 1HB GLN 5 -5.319 2.208 6.589 35 HB3 GLN 5 2HB GLN 5 -4.790 3.859 6.333 36 HG2 GLN 5 1HG GLN 5 -6.562 4.240 4.975 37 HG3 GLN 5 2HG GLN 5 -6.021 2.978 3.887 38 HE21 GLN 5 1HE2 GLN 5 -6.443 0.696 4.686 39 HE22 GLN 5 2HE2 GLN 5 -8.009 0.365 5.350 40 H CYS 6 H CYS 6 -2.136 4.173 4.194 41 HA CYS 6 HA CYS 6 -0.050 3.295 5.932 42 HB2 CYS 6 1HB CYS 6 1.082 4.093 4.172 43 HB3 CYS 6 2HB CYS 6 -0.298 4.999 3.583 44 H SER 7 H SER 7 1.002 4.763 7.543 45 HA SER 7 HA SER 7 -1.027 6.444 8.775 46 HB2 SER 7 1HB SER 7 1.503 5.621 10.195 47 HB3 SER 7 2HB SER 7 -0.085 5.938 10.864 48 HG SER 7 HG SER 7 0.240 3.732 9.063 49 H VAL 8 H VAL 8 -0.133 7.866 6.769 50 HA VAL 8 HA VAL 8 1.526 9.858 7.995 51 HB VAL 8 HB VAL 8 2.479 8.366 5.543 52 HG11 VAL 8 1HG1 VAL 8 4.516 9.971 5.983 53 HG12 VAL 8 2HG1 VAL 8 3.109 10.536 5.052 54 HG13 VAL 8 3HG1 VAL 8 3.284 10.990 6.764 55 HG21 VAL 8 3HG2 VAL 8 3.029 7.104 7.498 56 HG22 VAL 8 1HG2 VAL 8 4.508 7.954 6.989 57 HG23 VAL 8 2HG2 VAL 8 3.562 8.563 8.368 58 H CYS 9 H CYS 9 0.284 8.672 4.787 59 HA CYS 9 HA CYS 9 -0.765 11.374 4.389 60 HB2 CYS 9 1HB CYS 9 -0.760 10.893 1.997 61 HB3 CYS 9 2HB CYS 9 0.839 10.660 2.675 62 H GLN 10 H GLN 10 -1.452 7.921 4.753 63 HA GLN 10 HA GLN 10 -3.327 6.885 5.178 64 HB2 GLN 10 1HB GLN 10 -4.028 9.414 5.947 65 HB3 GLN 10 2HB GLN 10 -5.198 9.158 4.669 66 HG2 GLN 10 1HG GLN 10 -5.074 6.738 6.235 67 HG3 GLN 10 2HG GLN 10 -5.211 8.084 7.349 68 HE21 GLN 10 1HE2 GLN 10 -6.971 5.878 5.909 69 HE22 GLN 10 2HE2 GLN 10 -8.462 6.704 5.601 70 H TRP 11 H TRP 11 -2.139 7.005 2.572 71 HA TRP 11 HA TRP 11 -4.297 7.317 0.681 72 HB2 TRP 11 1HB TRP 11 -2.089 8.051 0.056 73 HB3 TRP 11 2HB TRP 11 -1.412 6.469 0.391 74 HD1 TRP 11 HD TRP 11 -3.819 8.147 -2.163 75 HE1 TRP 11 1HE TRP 11 -3.837 6.819 -4.443 76 HE3 TRP 11 3HE TRP 11 -0.889 4.314 -0.558 77 HZ2 TRP 11 2HZ TRP 11 -2.652 4.368 -5.300 78 HZ3 TRP 11 3HZ TRP 11 -0.367 2.494 -2.179 79 HH2 TRP 11 HH TRP 11 -1.197 2.479 -4.478 80 H ILE 12 H ILE 12 -5.861 5.738 0.771 81 HA ILE 12 HA ILE 12 -5.389 3.164 1.760 82 HB ILE 12 HB ILE 12 -7.615 3.936 -0.111 83 HG12 ILE 12 1HG1 ILE 12 -7.105 4.856 2.702 84 HG13 ILE 12 2HG1 ILE 12 -7.690 5.764 1.322 85 HG21 ILE 12 1HG2 ILE 12 -8.830 2.230 0.852 86 HG22 ILE 12 2HG2 ILE 12 -7.187 1.544 0.850 87 HG23 ILE 12 3HG2 ILE 12 -7.863 2.232 2.346 88 HD11 ILE 12 3HD1 ILE 12 -9.661 5.477 2.555 89 HD12 ILE 12 1HD1 ILE 12 -9.749 4.094 1.437 90 HD13 ILE 12 2HD1 ILE 12 -9.196 3.852 3.112 91 H TYR 13 H TYR 13 -4.151 1.673 0.919 92 HA TYR 13 HA TYR 13 -3.453 1.706 -1.914 93 HB2 TYR 13 1HB TYR 13 -1.698 1.184 -0.406 94 HB3 TYR 13 2HB TYR 13 -2.695 0.013 0.475 95 HD1 TYR 13 1HD TYR 13 -0.775 0.627 -2.631 96 HD2 TYR 13 2HD TYR 13 -2.962 -2.248 -0.306 97 HE1 TYR 13 1HE TYR 13 0.115 -1.200 -4.053 98 HE2 TYR 13 2HE TYR 13 -2.072 -4.075 -1.728 99 HH TYR 13 HH TYR 13 -0.762 -3.731 -4.664 100 H ASP 14 H ASP 14 -5.717 1.349 -2.757 101 HA ASP 14 HA ASP 14 -7.148 -0.900 -2.064 102 HB2 ASP 14 1HB ASP 14 -8.146 -0.570 -4.446 103 HB3 ASP 14 2HB ASP 14 -8.323 0.739 -3.295 104 HD2 ASP 14 HD ASP 14 -7.838 0.964 -6.530 105 HA PRO 15 HA PRO 15 -4.184 -3.803 -3.898 106 HB2 PRO 15 2HB PRO 15 -6.221 -5.695 -2.722 107 HB3 PRO 15 3HB PRO 15 -4.438 -5.632 -2.535 108 HG2 PRO 15 2HG PRO 15 -5.833 -4.383 -0.196 109 HG3 PRO 15 3HG PRO 15 -4.503 -4.048 -1.352 110 HD2 PRO 15 2HD PRO 15 -7.461 -3.347 -1.855 111 HD3 PRO 15 3HD PRO 15 -6.282 -2.188 -1.171 112 H ALA 16 H ALA 16 -7.553 -3.143 -4.542 113 HA ALA 16 HA ALA 16 -7.958 -5.248 -6.405 114 HB1 ALA 16 1HB ALA 16 -9.471 -2.676 -6.599 115 HB2 ALA 16 2HB ALA 16 -10.065 -4.354 -6.592 116 HB3 ALA 16 3HB ALA 16 -9.587 -3.572 -5.066 117 H LYS 17 H LYS 17 -6.175 -2.264 -6.413 118 HA LYS 17 HA LYS 17 -5.693 -2.639 -9.263 119 HB2 LYS 17 1HB LYS 17 -5.926 0.189 -8.428 120 HB3 LYS 17 2HB LYS 17 -6.372 -0.587 -9.935 121 HG2 LYS 17 1HG LYS 17 -7.938 -0.981 -7.345 122 HG3 LYS 17 2HG LYS 17 -8.320 0.278 -8.504 123 HD2 LYS 17 1HD LYS 17 -8.028 -2.244 -9.917 124 HD3 LYS 17 2HD LYS 17 -9.123 -2.473 -8.569 125 HE2 LYS 17 1HE LYS 17 -10.754 -1.153 -9.500 126 HE3 LYS 17 2HE LYS 17 -9.607 0.053 -10.048 127 HZ1 LYS 17 2HZ LYS 17 -9.797 -0.834 -12.087 128 HZ3 LYS 17 1HZ LYS 17 -10.772 -2.026 -11.556 129 H GLY 18 H GLY 18 -4.841 -0.704 -6.308 130 HA2 GLY 18 1HA GLY 18 -2.828 -0.477 -5.292 131 HA3 GLY 18 2HA GLY 18 -2.126 -1.623 -6.417 132 H GLU 19 H GLU 19 -0.452 -0.726 -7.530 133 HA GLU 19 HA GLU 19 -0.939 1.894 -8.682 134 HB2 GLU 19 1HB GLU 19 0.991 1.281 -6.593 135 HB3 GLU 19 2HB GLU 19 1.835 1.797 -8.039 136 HG2 GLU 19 1HG GLU 19 -0.536 3.330 -6.882 137 HG3 GLU 19 2HG GLU 19 1.122 3.664 -6.421 138 HE2 GLU 19 HE GLU 19 -1.048 4.825 -8.878 139 HA PRO 20 HA PRO 20 0.081 -1.586 -11.685 140 HB2 PRO 20 2HB PRO 20 -1.148 0.656 -13.318 141 HB3 PRO 20 3HB PRO 20 -1.399 -1.119 -13.394 142 HG2 PRO 20 2HG PRO 20 -3.238 0.599 -12.050 143 HG3 PRO 20 3HG PRO 20 -2.770 -1.127 -11.905 144 HD2 PRO 20 2HD PRO 20 -2.179 1.219 -10.109 145 HD3 PRO 20 3HD PRO 20 -2.235 -0.526 -9.714 146 H MET 21 H MET 21 1.858 -1.621 -13.187 147 HA MET 21 HA MET 21 3.701 -0.954 -14.129 148 HB2 MET 21 1HB MET 21 2.777 1.952 -13.910 149 HB3 MET 21 2HB MET 21 3.795 1.249 -15.151 150 HG2 MET 21 1HG MET 21 0.809 0.787 -14.733 151 HG3 MET 21 2HG MET 21 1.583 1.543 -16.111 152 HE1 MET 21 3HE MET 21 1.160 -2.630 -14.750 153 HE2 MET 21 1HE MET 21 0.264 -1.132 -14.400 154 HE3 MET 21 2HE MET 21 -0.138 -2.092 -15.844 155 H GLN 22 H GLN 22 3.498 -1.124 -11.200 156 HA GLN 22 HA GLN 22 5.795 0.546 -10.613 157 HB2 GLN 22 1HB GLN 22 3.644 1.602 -9.712 158 HB3 GLN 22 2HB GLN 22 3.486 0.214 -8.654 159 HG2 GLN 22 1HG GLN 22 5.202 0.891 -7.276 160 HG3 GLN 22 2HG GLN 22 6.181 1.478 -8.606 161 HE21 GLN 22 1HE2 GLN 22 3.801 2.216 -6.227 162 HE22 GLN 22 2HE2 GLN 22 3.695 3.927 -6.475 163 H ASP 23 H ASP 23 5.106 -2.394 -11.259 164 HA ASP 23 HA ASP 23 5.975 -4.313 -10.713 165 HB2 ASP 23 1HB ASP 23 7.619 -2.505 -9.243 166 HB3 ASP 23 2HB ASP 23 7.199 -3.778 -8.114 167 HD2 ASP 23 HD ASP 23 8.482 -3.561 -11.438 168 H VAL 24 H VAL 24 3.415 -3.074 -9.571 169 HA VAL 24 HA VAL 24 2.897 -5.169 -7.642 170 HB VAL 24 HB VAL 24 2.299 -2.290 -6.961 171 HG11 VAL 24 1HG1 VAL 24 0.897 -4.201 -6.006 172 HG12 VAL 24 2HG1 VAL 24 2.361 -4.690 -5.120 173 HG13 VAL 24 3HG1 VAL 24 1.641 -3.088 -4.833 174 HG21 VAL 24 3HG2 VAL 24 4.721 -2.551 -6.993 175 HG22 VAL 24 1HG2 VAL 24 4.141 -2.436 -5.314 176 HG23 VAL 24 2HG2 VAL 24 4.601 -4.017 -5.990 177 H ALA 25 H ALA 25 1.418 -6.152 -8.997 178 HA ALA 25 HA ALA 25 -0.566 -4.487 -10.302 179 HB1 ALA 25 1HB ALA 25 -1.069 -7.261 -10.688 180 HB2 ALA 25 2HB ALA 25 -0.351 -6.109 -11.839 181 HB3 ALA 25 3HB ALA 25 0.697 -7.045 -10.746 182 HA PRO 26 HA PRO 26 -4.000 -5.002 -7.672 183 HB2 PRO 26 2HB PRO 26 -5.831 -6.389 -9.297 184 HB3 PRO 26 3HB PRO 26 -5.495 -4.628 -9.371 185 HG2 PRO 26 2HG PRO 26 -4.433 -6.801 -10.900 186 HG3 PRO 26 3HG PRO 26 -4.927 -5.279 -11.710 187 HD2 PRO 26 2HD PRO 26 -2.346 -5.638 -11.315 188 HD3 PRO 26 3HD PRO 26 -3.030 -4.105 -10.694 189 H GLY 27 H GLY 27 -5.192 -6.610 -6.330 190 HA2 GLY 27 1HA GLY 27 -5.242 -8.521 -5.147 191 HA3 GLY 27 2HA GLY 27 -5.191 -9.336 -6.698 192 H THR 28 H THR 28 -2.799 -7.357 -4.792 193 HA THR 28 HA THR 28 -0.954 -9.644 -5.011 194 HB THR 28 HB THR 28 -0.436 -6.641 -5.321 195 HG1 THR 28 1HG THR 28 -0.079 -7.354 -7.468 196 HG21 THR 28 3HG2 THR 28 1.353 -8.690 -4.379 197 HG22 THR 28 1HG2 THR 28 1.770 -8.365 -6.078 198 HG23 THR 28 2HG2 THR 28 1.771 -7.038 -4.892 199 HA PRO 29 HA PRO 29 -1.520 -9.713 -0.628 200 HB2 PRO 29 2HB PRO 29 0.995 -11.370 -1.088 201 HB3 PRO 29 3HB PRO 29 -0.423 -11.674 -0.032 202 HG2 PRO 29 2HG PRO 29 -0.545 -13.003 -2.583 203 HG3 PRO 29 3HG PRO 29 -1.647 -12.019 -1.566 204 HD2 PRO 29 2HD PRO 29 0.118 -11.078 -3.915 205 HD3 PRO 29 3HD PRO 29 -1.670 -11.089 -3.856 206 H TRP 30 H TRP 30 -0.672 -8.329 0.957 207 HA TRP 30 HA TRP 30 1.187 -6.412 0.263 208 HB2 TRP 30 1HB TRP 30 -0.351 -6.040 2.040 209 HB3 TRP 30 2HB TRP 30 0.239 -7.421 2.943 210 HD1 TRP 30 HD TRP 30 2.106 -6.891 4.716 211 HE1 TRP 30 1HE TRP 30 3.652 -4.860 5.385 212 HE3 TRP 30 3HE TRP 30 0.877 -3.968 0.741 213 HZ2 TRP 30 2HZ TRP 30 4.176 -2.315 4.203 214 HZ3 TRP 30 3HZ TRP 30 1.951 -1.724 0.574 215 HH2 TRP 30 HH TRP 30 3.549 -0.886 2.223 216 H SER 31 H SER 31 1.533 -9.719 1.535 217 HA SER 31 HA SER 31 4.186 -9.415 2.377 218 HB2 SER 31 1HB SER 31 2.192 -11.450 2.382 219 HB3 SER 31 2HB SER 31 3.568 -12.135 1.540 220 HG SER 31 HG SER 31 3.937 -10.731 4.025 221 H GLU 32 H GLU 32 2.589 -10.321 -0.705 222 HA GLU 32 HA GLU 32 4.955 -11.202 -1.935 223 HB2 GLU 32 1HB GLU 32 2.363 -11.529 -2.527 224 HB3 GLU 32 2HB GLU 32 2.639 -10.120 -3.533 225 HG2 GLU 32 1HG GLU 32 4.862 -11.901 -3.942 226 HG3 GLU 32 2HG GLU 32 3.404 -12.868 -4.031 227 HE2 GLU 32 HE GLU 32 3.052 -13.057 -6.055 228 H VAL 33 H VAL 33 3.499 -8.060 -1.322 229 HA VAL 33 HA VAL 33 4.674 -6.631 -3.426 230 HB VAL 33 HB VAL 33 3.771 -5.824 -0.656 231 HG11 VAL 33 1HG1 VAL 33 4.140 -3.616 -1.110 232 HG12 VAL 33 2HG1 VAL 33 5.468 -4.312 -2.070 233 HG13 VAL 33 3HG1 VAL 33 3.952 -3.827 -2.868 234 HG21 VAL 33 3HG2 VAL 33 2.199 -6.796 -2.579 235 HG22 VAL 33 1HG2 VAL 33 1.681 -5.465 -1.518 236 HG23 VAL 33 2HG2 VAL 33 2.290 -5.114 -3.153 237 HA PRO 34 HA PRO 34 8.943 -7.234 -2.387 238 HB2 PRO 34 2HB PRO 34 9.081 -4.838 -4.239 239 HB3 PRO 34 3HB PRO 34 10.001 -6.378 -4.250 240 HG2 PRO 34 2HG PRO 34 7.974 -6.078 -6.005 241 HG3 PRO 34 3HG PRO 34 8.293 -7.650 -5.201 242 HD2 PRO 34 2HD PRO 34 6.218 -5.504 -4.588 243 HD3 PRO 34 3HD PRO 34 6.056 -7.285 -4.517 244 H ASP 35 H ASP 35 10.806 -5.369 -1.920 245 HA ASP 35 HA ASP 35 9.499 -3.676 0.048 246 HB2 ASP 35 1HB ASP 35 11.733 -3.575 1.135 247 HB3 ASP 35 2HB ASP 35 11.180 -5.228 0.953 248 HD2 ASP 35 HD ASP 35 14.635 -4.822 0.249 249 H ASN 36 H ASN 36 9.680 -3.074 -2.875 250 HA ASN 36 HA ASN 36 11.491 -0.792 -2.726 251 HB2 ASN 36 1HB ASN 36 10.921 -2.780 -4.904 252 HB3 ASN 36 2HB ASN 36 11.071 -1.115 -5.429 253 HD21 ASN 36 1HD2 ASN 36 12.945 0.081 -4.246 254 HD22 ASN 36 2HD2 ASN 36 14.477 -0.727 -4.260 255 H PHE 37 H PHE 37 8.731 -0.875 -1.750 256 HA PHE 37 HA PHE 37 7.446 0.838 -3.759 257 HB2 PHE 37 1HB PHE 37 6.380 -1.448 -3.394 258 HB3 PHE 37 2HB PHE 37 6.256 -1.098 -1.681 259 HD1 PHE 37 1HD PHE 37 4.920 -0.317 -5.004 260 HD2 PHE 37 2HD PHE 37 4.556 0.399 -0.837 261 HE1 PHE 37 1HE PHE 37 2.664 0.715 -5.379 262 HE2 PHE 37 2HE PHE 37 2.299 1.431 -1.212 263 HZ PHE 37 HZ PHE 37 1.380 1.577 -3.479 264 H LEU 38 H LEU 38 6.879 2.866 -3.077 265 HA LEU 38 HA LEU 38 6.671 3.295 -0.193 266 HB2 LEU 38 1HB LEU 38 8.154 5.249 -1.920 267 HB3 LEU 38 2HB LEU 38 8.123 5.116 -0.173 268 HG LEU 38 HG LEU 38 9.503 3.227 -2.099 269 HD11 LEU 38 1HD1 LEU 38 11.536 4.061 -0.757 270 HD12 LEU 38 2HD1 LEU 38 10.830 5.141 -1.983 271 HD13 LEU 38 3HD1 LEU 38 10.479 5.402 -0.257 272 HD21 LEU 38 3HD2 LEU 38 9.537 1.665 -0.528 273 HD22 LEU 38 1HD2 LEU 38 10.287 2.803 0.617 274 HD23 LEU 38 2HD2 LEU 38 8.514 2.689 0.508 275 H CYS 39 H CYS 39 5.246 5.011 0.401 276 HA CYS 39 HA CYS 39 2.967 5.243 -0.948 277 HB2 CYS 39 1HB CYS 39 4.345 6.940 1.049 278 HB3 CYS 39 2HB CYS 39 3.086 7.751 0.139 279 HA PRO 40 HA PRO 40 3.889 7.561 -4.606 280 HB2 PRO 40 2HB PRO 40 1.380 8.031 -5.487 281 HB3 PRO 40 3HB PRO 40 1.997 6.353 -5.334 282 HG2 PRO 40 2HG PRO 40 0.054 7.665 -3.141 283 HG3 PRO 40 3HG PRO 40 0.245 6.235 -4.208 284 HD2 PRO 40 2HD PRO 40 1.318 6.617 -1.559 285 HD3 PRO 40 3HD PRO 40 1.735 5.303 -2.700 286 H GLU 41 H GLU 41 2.860 8.859 -1.658 287 HA GLU 41 HA GLU 41 3.557 11.433 -2.446 288 HB2 GLU 41 1HB GLU 41 1.121 12.336 -1.741 289 HB3 GLU 41 2HB GLU 41 1.543 11.994 -3.407 290 HG2 GLU 41 1HG GLU 41 0.566 9.717 -3.214 291 HG3 GLU 41 2HG GLU 41 0.201 9.998 -1.523 292 HE2 GLU 41 HE GLU 41 -1.073 11.247 -4.764 293 H CYS 42 H CYS 42 4.816 10.330 -0.544 294 HA CYS 42 HA CYS 42 4.523 11.723 1.710 295 HB2 CYS 42 1HB CYS 42 2.835 10.997 2.971 296 HB3 CYS 42 2HB CYS 42 2.290 10.018 1.624 297 H SER 43 H SER 43 5.209 8.682 0.052 298 HA SER 43 HA SER 43 6.883 7.304 0.111 299 HB2 SER 43 1HB SER 43 9.017 8.153 0.421 300 HB3 SER 43 2HB SER 43 8.118 9.653 0.306 301 HG SER 43 HG SER 43 8.968 8.315 2.729 302 H LEU 44 H LEU 44 8.245 5.829 1.609 303 HA LEU 44 HA LEU 44 7.967 5.894 4.364 304 HB2 LEU 44 1HB LEU 44 5.521 5.391 3.298 305 HB3 LEU 44 2HB LEU 44 6.137 3.759 3.469 306 HG LEU 44 HG LEU 44 6.400 3.995 5.830 307 HD11 LEU 44 1HD1 LEU 44 6.021 6.930 5.305 308 HD12 LEU 44 2HD1 LEU 44 5.645 6.238 6.901 309 HD13 LEU 44 3HD1 LEU 44 7.289 6.095 6.235 310 HD21 LEU 44 3HD2 LEU 44 3.795 4.879 4.658 311 HD22 LEU 44 1HD2 LEU 44 4.215 3.386 5.532 312 HD23 LEU 44 2HD2 LEU 44 3.995 4.909 6.427 313 H GLY 45 H GLY 45 7.880 3.104 4.921 314 HA2 GLY 45 1HA GLY 45 9.896 1.941 3.128 315 HA3 GLY 45 2HA GLY 45 10.295 2.162 4.820 316 H LYS 46 H LYS 46 6.918 1.557 4.008 317 HA LYS 46 HA LYS 46 5.575 -0.164 4.332 318 HB2 LYS 46 1HB LYS 46 8.117 -1.653 3.706 319 HB3 LYS 46 2HB LYS 46 6.679 -2.527 4.194 320 HG2 LYS 46 1HG LYS 46 5.547 -0.893 2.343 321 HG3 LYS 46 2HG LYS 46 7.176 -0.925 1.699 322 HD2 LYS 46 1HD LYS 46 6.946 -3.561 2.075 323 HD3 LYS 46 2HD LYS 46 5.229 -3.214 2.044 324 HE2 LYS 46 1HE LYS 46 6.026 -3.776 -0.226 325 HE3 LYS 46 2HE LYS 46 5.467 -2.116 -0.177 326 HZ1 LYS 46 2HZ LYS 46 7.978 -2.971 -0.951 327 HZ3 LYS 46 1HZ LYS 46 8.230 -2.242 0.483 328 H ASP 47 H ASP 47 7.587 1.092 6.474 329 HA ASP 47 HA ASP 47 7.269 -0.966 8.477 330 HB2 ASP 47 1HB ASP 47 8.732 0.453 9.861 331 HB3 ASP 47 2HB ASP 47 9.458 0.190 8.288 332 HD2 ASP 47 HD ASP 47 8.202 2.669 10.345 333 H VAL 48 H VAL 48 4.920 0.472 7.373 334 HA VAL 48 HA VAL 48 3.873 1.484 9.865 335 HB VAL 48 HB VAL 48 3.635 3.225 7.425 336 HG11 VAL 48 1HG1 VAL 48 2.155 3.296 9.616 337 HG12 VAL 48 2HG1 VAL 48 3.554 4.185 10.265 338 HG13 VAL 48 3HG1 VAL 48 2.700 4.796 8.827 339 HG21 VAL 48 3HG2 VAL 48 5.750 3.466 9.592 340 HG22 VAL 48 1HG2 VAL 48 6.037 3.013 7.895 341 HG23 VAL 48 2HG2 VAL 48 5.440 4.642 8.292 342 H PHE 49 H PHE 49 3.177 1.379 6.293 343 HA PHE 49 HA PHE 49 0.572 1.133 6.200 344 HB2 PHE 49 1HB PHE 49 2.882 -0.316 4.892 345 HB3 PHE 49 2HB PHE 49 1.292 -0.975 4.563 346 HD1 PHE 49 1HD PHE 49 3.439 1.987 4.176 347 HD2 PHE 49 2HD PHE 49 -0.254 0.173 3.138 348 HE1 PHE 49 1HE PHE 49 3.093 3.714 2.387 349 HE2 PHE 49 2HE PHE 49 -0.600 1.900 1.350 350 HZ PHE 49 HZ PHE 49 1.078 3.650 0.996 351 H GLU 50 H GLU 50 -0.938 0.099 7.412 352 HA GLU 50 HA GLU 50 -0.208 -2.557 8.370 353 HB2 GLU 50 1HB GLU 50 -1.917 -2.150 10.170 354 HB3 GLU 50 2HB GLU 50 -0.564 -1.038 10.225 355 HG2 GLU 50 1HG GLU 50 -1.844 0.787 9.581 356 HG3 GLU 50 2HG GLU 50 -2.896 -0.169 8.556 357 HE2 GLU 50 HE GLU 50 -4.267 1.321 9.872 358 H GLU 51 H GLU 51 -2.617 -3.669 9.023 359 HA GLU 51 HA GLU 51 -4.585 -4.369 8.305 360 HB2 GLU 51 1HB GLU 51 -4.368 -2.870 5.680 361 HB3 GLU 51 2HB GLU 51 -5.815 -3.376 6.529 362 HG2 GLU 51 1HG GLU 51 -4.329 -1.687 8.322 363 HG3 GLU 51 2HG GLU 51 -4.364 -0.881 6.767 364 HE2 GLU 51 HE GLU 51 -6.505 -2.518 8.969 365 H LEU 52 H LEU 52 -5.204 -5.009 5.435 366 HA LEU 52 HA LEU 52 -2.947 -6.716 4.736 367 HB2 LEU 52 1HB LEU 52 -4.826 -8.505 4.300 368 HB3 LEU 52 2HB LEU 52 -3.993 -8.376 5.836 369 HG LEU 52 HG LEU 52 -6.546 -6.851 5.463 370 HD11 LEU 52 1HD1 LEU 52 -7.845 -8.622 5.170 371 HD12 LEU 52 2HD1 LEU 52 -6.395 -9.639 4.994 372 HD13 LEU 52 3HD1 LEU 52 -7.136 -9.417 6.597 373 HD21 LEU 52 3HD2 LEU 52 -5.784 -8.379 7.918 374 HD22 LEU 52 1HD2 LEU 52 -4.893 -6.890 7.520 375 HD23 LEU 52 2HD2 LEU 52 -6.658 -6.837 7.749 376 H ALA 53 H ALA 53 -3.913 -8.016 2.559 377 HA ALA 53 HA ALA 53 -5.496 -6.256 0.943 378 HB1 ALA 53 1HB ALA 53 -2.548 -6.650 0.287 379 HB2 ALA 53 2HB ALA 53 -3.744 -5.777 -0.701 380 HB3 ALA 53 3HB ALA 53 -3.271 -5.141 0.893 381 H SER 54 H SER 54 -4.691 -7.285 -1.583 382 HA SER 54 HA SER 54 -5.394 -8.950 -2.834 383 HB2 SER 54 1HB SER 54 -3.049 -9.527 -2.593 384 HB3 SER 54 2HB SER 54 -3.334 -10.311 -1.052 385 HG SER 54 HG SER 54 -4.779 -11.827 -2.296 386 H GLU 55 H GLU 55 -4.726 -11.424 -0.393 387 HA GLU 55 HA GLU 55 -6.073 -13.061 0.244 388 HB2 GLU 55 1HB GLU 55 -6.321 -10.767 1.814 389 HB3 GLU 55 2HB GLU 55 -7.989 -11.244 1.569 390 HG2 GLU 55 1HG GLU 55 -6.130 -13.489 2.214 391 HG3 GLU 55 2HG GLU 55 -6.335 -12.313 3.498 392 HE2 GLU 55 HE GLU 55 -8.525 -15.107 2.416 393 H ALA 56 H ALA 56 -6.915 -13.693 -1.878 394 HA ALA 56 HA ALA 56 -9.787 -13.384 -1.975 395 HB1 ALA 56 1HB ALA 56 -8.014 -12.563 -4.311 396 HB2 ALA 56 2HB ALA 56 -9.793 -12.610 -4.302 397 HB3 ALA 56 3HB ALA 56 -8.929 -11.444 -3.272 398 H LYS 57 H LYS 57 -10.556 -14.758 -4.053 399 HA LYS 57 HA LYS 57 -10.735 -16.790 -4.898 400 HB2 LYS 57 1HB LYS 57 -8.387 -15.845 -5.811 401 HB3 LYS 57 2HB LYS 57 -7.795 -17.264 -4.970 402 HG2 LYS 57 1HG LYS 57 -8.396 -18.468 -6.800 403 HG3 LYS 57 2HG LYS 57 -10.061 -18.230 -6.308 404 HD2 LYS 57 1HD LYS 57 -8.647 -16.089 -7.927 405 HD3 LYS 57 2HD LYS 57 -9.300 -17.501 -8.733 406 HE2 LYS 57 1HE LYS 57 -11.284 -16.475 -6.872 407 HE3 LYS 57 2HE LYS 57 -10.713 -15.159 -7.877 408 HZ1 LYS 57 2HZ LYS 57 -12.102 -17.604 -8.704 409 HZ3 LYS 57 1HZ LYS 57 -11.053 -16.948 -9.762 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -11.592 -6.612 -2.196 2 HA2 GLY 1 1HA GLY 1 -10.707 -8.950 -1.005 3 HA3 GLY 1 2HA GLY 1 -9.314 -8.262 -1.814 4 HA PRO 2 HA PRO 2 -9.561 -6.083 2.208 5 HB2 PRO 2 2HB PRO 2 -6.789 -6.849 2.657 6 HB3 PRO 2 3HB PRO 2 -8.269 -7.450 3.472 7 HG2 PRO 2 2HG PRO 2 -6.750 -9.322 1.640 8 HG3 PRO 2 3HG PRO 2 -8.427 -9.188 2.262 9 HD2 PRO 2 2HD PRO 2 -7.216 -7.926 -0.278 10 HD3 PRO 2 3HD PRO 2 -8.558 -9.108 -0.188 11 H ARG 3 H ARG 3 -8.332 -4.102 2.886 12 HA ARG 3 HA ARG 3 -6.556 -3.176 0.789 13 HB2 ARG 3 1HB ARG 3 -8.440 -1.178 2.036 14 HB3 ARG 3 2HB ARG 3 -7.723 -1.169 0.437 15 HG2 ARG 3 1HG ARG 3 -9.790 -1.862 -0.260 16 HG3 ARG 3 2HG ARG 3 -9.256 -3.446 0.267 17 HD2 ARG 3 1HD ARG 3 -10.848 -3.491 1.886 18 HD3 ARG 3 2HD ARG 3 -10.230 -2.008 2.585 19 HE ARG 3 HE ARG 3 -12.464 -2.251 0.666 20 HH11 ARG 3 2HH2 ARG 3 -10.218 -0.073 2.328 21 HH12 ARG 3 1HH2 ARG 3 -11.196 1.333 2.072 22 HH22 ARG 3 1HH ARG 3 -13.272 1.119 0.893 23 H MET 4 H MET 4 -5.149 -1.312 1.540 24 HA MET 4 HA MET 4 -4.927 -1.333 4.451 25 HB2 MET 4 1HB MET 4 -2.593 -0.988 2.505 26 HB3 MET 4 2HB MET 4 -2.503 -1.359 4.215 27 HG2 MET 4 1HG MET 4 -3.439 -3.597 3.849 28 HG3 MET 4 2HG MET 4 -3.786 -3.232 2.171 29 HE1 MET 4 3HE MET 4 -1.122 -5.648 3.636 30 HE2 MET 4 1HE MET 4 -0.050 -4.380 4.276 31 HE3 MET 4 2HE MET 4 -1.770 -4.406 4.734 32 H GLN 5 H GLN 5 -3.128 0.631 4.956 33 HA GLN 5 HA GLN 5 -3.475 2.880 3.300 34 HB2 GLN 5 1HB GLN 5 -4.864 4.265 4.716 35 HB3 GLN 5 2HB GLN 5 -5.735 2.775 4.415 36 HG2 GLN 5 1HG GLN 5 -4.022 2.528 6.786 37 HG3 GLN 5 2HG GLN 5 -5.110 3.894 6.938 38 HE21 GLN 5 1HE2 GLN 5 -5.176 0.567 5.654 39 HE22 GLN 5 2HE2 GLN 5 -6.680 0.087 6.367 40 H CYS 6 H CYS 6 -2.085 4.642 3.959 41 HA CYS 6 HA CYS 6 -0.174 3.785 5.986 42 HB2 CYS 6 1HB CYS 6 1.123 5.810 4.866 43 HB3 CYS 6 2HB CYS 6 1.121 4.210 4.151 44 H SER 7 H SER 7 -0.159 4.831 7.954 45 HA SER 7 HA SER 7 -2.009 6.971 8.309 46 HB2 SER 7 1HB SER 7 -1.582 6.708 10.661 47 HB3 SER 7 2HB SER 7 -1.622 5.096 9.975 48 HG SER 7 HG SER 7 0.788 5.262 9.836 49 H VAL 8 H VAL 8 -0.292 7.982 6.499 50 HA VAL 8 HA VAL 8 1.258 9.882 8.084 51 HB VAL 8 HB VAL 8 2.304 8.420 5.652 52 HG11 VAL 8 1HG1 VAL 8 3.318 10.503 5.538 53 HG12 VAL 8 2HG1 VAL 8 3.341 10.709 7.306 54 HG13 VAL 8 3HG1 VAL 8 4.480 9.585 6.527 55 HG21 VAL 8 3HG2 VAL 8 2.263 6.948 7.603 56 HG22 VAL 8 1HG2 VAL 8 3.936 7.408 7.202 57 HG23 VAL 8 2HG2 VAL 8 3.104 8.181 8.572 58 H CYS 9 H CYS 9 0.279 8.969 4.701 59 HA CYS 9 HA CYS 9 -0.307 11.800 4.279 60 HB2 CYS 9 1HB CYS 9 0.057 11.492 1.984 61 HB3 CYS 9 2HB CYS 9 1.321 10.546 2.745 62 H GLN 10 H GLN 10 -1.589 8.495 4.457 63 HA GLN 10 HA GLN 10 -3.686 7.904 4.859 64 HB2 GLN 10 1HB GLN 10 -4.042 10.600 5.139 65 HB3 GLN 10 2HB GLN 10 -5.030 10.318 3.720 66 HG2 GLN 10 1HG GLN 10 -5.294 8.982 6.448 67 HG3 GLN 10 2HG GLN 10 -6.451 10.044 5.671 68 HE21 GLN 10 1HE2 GLN 10 -7.620 9.335 3.860 69 HE22 GLN 10 2HE2 GLN 10 -7.870 7.655 3.521 70 H TRP 11 H TRP 11 -2.554 6.759 2.856 71 HA TRP 11 HA TRP 11 -4.306 7.182 0.530 72 HB2 TRP 11 1HB TRP 11 -1.930 7.791 0.149 73 HB3 TRP 11 2HB TRP 11 -1.465 6.148 0.542 74 HD1 TRP 11 HD TRP 11 -3.622 7.988 -2.140 75 HE1 TRP 11 1HE TRP 11 -3.606 6.654 -4.417 76 HE3 TRP 11 3HE TRP 11 -0.963 4.017 -0.403 77 HZ2 TRP 11 2HZ TRP 11 -2.508 4.145 -5.218 78 HZ3 TRP 11 3HZ TRP 11 -0.461 2.168 -1.997 79 HH2 TRP 11 HH TRP 11 -1.188 2.188 -4.331 80 H ILE 12 H ILE 12 -5.742 5.527 0.275 81 HA ILE 12 HA ILE 12 -5.284 3.088 1.760 82 HB ILE 12 HB ILE 12 -7.620 4.102 0.140 83 HG12 ILE 12 1HG1 ILE 12 -6.959 4.083 3.080 84 HG13 ILE 12 2HG1 ILE 12 -7.468 5.425 2.074 85 HG21 ILE 12 1HG2 ILE 12 -8.216 1.938 1.974 86 HG22 ILE 12 2HG2 ILE 12 -8.596 2.109 0.244 87 HG23 ILE 12 3HG2 ILE 12 -7.025 1.441 0.748 88 HD11 ILE 12 3HD1 ILE 12 -9.563 3.571 1.801 89 HD12 ILE 12 1HD1 ILE 12 -9.102 3.461 3.517 90 HD13 ILE 12 2HD1 ILE 12 -9.574 5.030 2.820 91 H TYR 13 H TYR 13 -4.480 1.297 0.954 92 HA TYR 13 HA TYR 13 -3.891 1.200 -1.940 93 HB2 TYR 13 1HB TYR 13 -2.045 0.796 -0.423 94 HB3 TYR 13 2HB TYR 13 -2.970 -0.447 0.437 95 HD1 TYR 13 2HD TYR 13 -3.534 -2.601 -0.731 96 HD2 TYR 13 1HD TYR 13 -0.832 0.289 -2.404 97 HE1 TYR 13 2HE TYR 13 -2.630 -4.331 -2.261 98 HE2 TYR 13 1HE TYR 13 0.072 -1.441 -3.934 99 HH TYR 13 HH TYR 13 -0.473 -3.598 -4.895 100 H ASP 14 H ASP 14 -5.749 0.502 -3.053 101 HA ASP 14 HA ASP 14 -7.096 -1.785 -1.892 102 HB2 ASP 14 1HB ASP 14 -7.842 0.032 -4.232 103 HB3 ASP 14 2HB ASP 14 -8.831 -1.299 -3.663 104 HD2 ASP 14 HD ASP 14 -9.408 2.132 -2.791 105 HA PRO 15 HA PRO 15 -4.522 -4.212 -4.703 106 HB2 PRO 15 2HB PRO 15 -6.564 -6.242 -3.735 107 HB3 PRO 15 3HB PRO 15 -4.778 -6.354 -3.867 108 HG2 PRO 15 2HG PRO 15 -5.717 -5.730 -1.204 109 HG3 PRO 15 3HG PRO 15 -4.467 -5.118 -2.336 110 HD2 PRO 15 2HD PRO 15 -7.349 -4.063 -1.997 111 HD3 PRO 15 3HD PRO 15 -5.856 -3.223 -1.478 112 H ALA 16 H ALA 16 -7.988 -3.525 -4.765 113 HA ALA 16 HA ALA 16 -8.622 -5.057 -7.039 114 HB1 ALA 16 1HB ALA 16 -10.399 -2.989 -7.082 115 HB2 ALA 16 2HB ALA 16 -10.544 -4.397 -6.003 116 HB3 ALA 16 3HB ALA 16 -9.824 -2.885 -5.401 117 H LYS 17 H LYS 17 -6.905 -2.022 -6.524 118 HA LYS 17 HA LYS 17 -6.710 -1.760 -9.438 119 HB2 LYS 17 1HB LYS 17 -6.624 0.724 -7.798 120 HB3 LYS 17 2HB LYS 17 -7.193 0.472 -9.436 121 HG2 LYS 17 1HG LYS 17 -9.274 0.627 -8.487 122 HG3 LYS 17 2HG LYS 17 -9.016 -1.056 -8.075 123 HD2 LYS 17 1HD LYS 17 -8.892 -0.597 -5.848 124 HD3 LYS 17 2HD LYS 17 -7.752 0.710 -6.101 125 HE2 LYS 17 1HE LYS 17 -9.707 2.177 -6.834 126 HE3 LYS 17 2HE LYS 17 -10.790 0.877 -6.376 127 HZ1 LYS 17 2HZ LYS 17 -10.687 1.749 -4.317 128 HZ3 LYS 17 1HZ LYS 17 -9.446 2.739 -4.679 129 H GLY 18 H GLY 18 -5.305 -0.614 -6.285 130 HA2 GLY 18 1HA GLY 18 -3.172 -0.418 -5.609 131 HA3 GLY 18 2HA GLY 18 -2.808 -1.781 -6.649 132 H GLU 19 H GLU 19 -0.759 -0.925 -7.303 133 HA GLU 19 HA GLU 19 -1.056 1.286 -9.175 134 HB2 GLU 19 1HB GLU 19 0.829 1.006 -6.873 135 HB3 GLU 19 2HB GLU 19 1.532 1.612 -8.359 136 HG2 GLU 19 1HG GLU 19 -0.878 2.780 -6.892 137 HG3 GLU 19 2HG GLU 19 0.719 3.494 -6.996 138 HE2 GLU 19 HE GLU 19 -1.671 4.967 -8.723 139 HA PRO 20 HA PRO 20 0.505 -2.861 -10.895 140 HB2 PRO 20 2HB PRO 20 -0.885 -2.183 -13.299 141 HB3 PRO 20 3HB PRO 20 -1.427 -3.310 -12.013 142 HG2 PRO 20 2HG PRO 20 -2.095 -0.414 -12.371 143 HG3 PRO 20 3HG PRO 20 -3.313 -1.618 -11.838 144 HD2 PRO 20 2HD PRO 20 -2.232 -0.089 -9.977 145 HD3 PRO 20 3HD PRO 20 -2.169 -1.854 -9.688 146 H MET 21 H MET 21 0.537 0.603 -11.717 147 HA MET 21 HA MET 21 2.504 0.116 -13.770 148 HB2 MET 21 1HB MET 21 1.064 2.589 -12.687 149 HB3 MET 21 2HB MET 21 2.373 2.736 -13.843 150 HG2 MET 21 1HG MET 21 0.489 2.668 -15.256 151 HG3 MET 21 2HG MET 21 1.007 0.994 -15.274 152 HE1 MET 21 3HE MET 21 -1.365 -0.150 -15.833 153 HE2 MET 21 1HE MET 21 -0.242 -0.876 -14.658 154 HE3 MET 21 2HE MET 21 -1.989 -0.843 -14.317 155 H GLN 22 H GLN 22 3.046 -0.515 -10.876 156 HA GLN 22 HA GLN 22 5.459 1.074 -10.711 157 HB2 GLN 22 1HB GLN 22 3.634 2.064 -9.202 158 HB3 GLN 22 2HB GLN 22 3.715 0.588 -8.262 159 HG2 GLN 22 1HG GLN 22 6.360 1.146 -8.311 160 HG3 GLN 22 2HG GLN 22 5.763 2.777 -8.545 161 HE21 GLN 22 1HE2 GLN 22 3.836 3.336 -7.076 162 HE22 GLN 22 2HE2 GLN 22 4.007 2.945 -5.397 163 H ASP 23 H ASP 23 4.474 -1.783 -11.405 164 HA ASP 23 HA ASP 23 5.534 -3.708 -11.329 165 HB2 ASP 23 1HB ASP 23 7.485 -2.248 -10.209 166 HB3 ASP 23 2HB ASP 23 6.986 -3.083 -8.752 167 HD2 ASP 23 HD ASP 23 7.385 -5.127 -11.868 168 H VAL 24 H VAL 24 3.143 -2.631 -9.680 169 HA VAL 24 HA VAL 24 2.874 -4.999 -8.003 170 HB VAL 24 HB VAL 24 2.223 -2.214 -7.028 171 HG11 VAL 24 1HG1 VAL 24 2.450 -4.697 -5.334 172 HG12 VAL 24 2HG1 VAL 24 1.585 -3.178 -5.002 173 HG13 VAL 24 3HG1 VAL 24 0.943 -4.323 -6.204 174 HG21 VAL 24 3HG2 VAL 24 4.560 -2.201 -7.022 175 HG22 VAL 24 1HG2 VAL 24 4.152 -2.762 -5.383 176 HG23 VAL 24 2HG2 VAL 24 4.668 -3.932 -6.621 177 H ALA 25 H ALA 25 1.371 -5.933 -9.383 178 HA ALA 25 HA ALA 25 -0.760 -4.335 -10.457 179 HB1 ALA 25 1HB ALA 25 -0.725 -5.997 -11.965 180 HB2 ALA 25 2HB ALA 25 0.516 -6.834 -11.003 181 HB3 ALA 25 3HB ALA 25 -1.208 -7.163 -10.710 182 HA PRO 26 HA PRO 26 -3.951 -4.898 -7.537 183 HB2 PRO 26 2HB PRO 26 -6.015 -6.013 -9.032 184 HB3 PRO 26 3HB PRO 26 -5.495 -4.300 -9.147 185 HG2 PRO 26 2HG PRO 26 -4.777 -6.572 -10.726 186 HG3 PRO 26 3HG PRO 26 -5.235 -5.017 -11.494 187 HD2 PRO 26 2HD PRO 26 -2.654 -5.603 -11.332 188 HD3 PRO 26 3HD PRO 26 -3.158 -3.995 -10.730 189 H GLY 27 H GLY 27 -4.790 -6.471 -6.040 190 HA2 GLY 27 1HA GLY 27 -5.058 -8.498 -5.095 191 HA3 GLY 27 2HA GLY 27 -5.010 -9.219 -6.692 192 H THR 28 H THR 28 -2.569 -7.306 -4.790 193 HA THR 28 HA THR 28 -0.762 -9.619 -5.053 194 HB THR 28 HB THR 28 -0.301 -6.632 -5.483 195 HG1 THR 28 1HG THR 28 0.183 -7.484 -7.536 196 HG21 THR 28 3HG2 THR 28 2.094 -8.013 -6.007 197 HG22 THR 28 1HG2 THR 28 1.813 -6.913 -4.636 198 HG23 THR 28 2HG2 THR 28 1.570 -8.665 -4.436 199 HA PRO 29 HA PRO 29 -1.266 -9.769 -0.664 200 HB2 PRO 29 2HB PRO 29 1.332 -11.275 -1.204 201 HB3 PRO 29 3HB PRO 29 -0.025 -11.660 -0.096 202 HG2 PRO 29 2HG PRO 29 -0.151 -12.965 -2.659 203 HG3 PRO 29 3HG PRO 29 -1.288 -12.091 -1.583 204 HD2 PRO 29 2HD PRO 29 0.223 -11.044 -4.055 205 HD3 PRO 29 3HD PRO 29 -1.547 -11.094 -3.797 206 H TRP 30 H TRP 30 -0.624 -8.135 0.740 207 HA TRP 30 HA TRP 30 1.189 -6.211 0.097 208 HB2 TRP 30 1HB TRP 30 -0.307 -5.769 1.830 209 HB3 TRP 30 2HB TRP 30 0.128 -7.214 2.721 210 HD1 TRP 30 HD TRP 30 1.990 -6.915 4.572 211 HE1 TRP 30 1HE TRP 30 3.579 -4.995 5.439 212 HE3 TRP 30 3HE TRP 30 1.013 -3.675 0.778 213 HZ2 TRP 30 2HZ TRP 30 4.235 -2.395 4.462 214 HZ3 TRP 30 3HZ TRP 30 2.170 -1.467 0.809 215 HH2 TRP 30 HH TRP 30 3.733 -0.807 2.569 216 H SER 31 H SER 31 1.683 -9.443 1.546 217 HA SER 31 HA SER 31 4.286 -9.014 2.407 218 HB2 SER 31 1HB SER 31 4.426 -11.565 2.268 219 HB3 SER 31 2HB SER 31 3.125 -10.922 3.250 220 HG SER 31 HG SER 31 2.391 -12.633 1.838 221 H GLU 32 H GLU 32 2.861 -10.014 -0.734 222 HA GLU 32 HA GLU 32 5.316 -10.734 -1.883 223 HB2 GLU 32 1HB GLU 32 2.875 -11.329 -2.602 224 HB3 GLU 32 2HB GLU 32 2.886 -9.789 -3.439 225 HG2 GLU 32 1HG GLU 32 3.735 -11.066 -5.160 226 HG3 GLU 32 2HG GLU 32 5.254 -10.745 -4.348 227 HE2 GLU 32 HE GLU 32 4.621 -12.908 -2.134 228 H VAL 33 H VAL 33 3.605 -7.683 -1.376 229 HA VAL 33 HA VAL 33 4.797 -6.177 -3.400 230 HB VAL 33 HB VAL 33 3.750 -5.427 -0.665 231 HG11 VAL 33 1HG1 VAL 33 3.950 -3.194 -1.145 232 HG12 VAL 33 2HG1 VAL 33 5.385 -3.808 -2.001 233 HG13 VAL 33 3HG1 VAL 33 3.894 -3.450 -2.906 234 HG21 VAL 33 3HG2 VAL 33 2.433 -5.210 -3.392 235 HG22 VAL 33 1HG2 VAL 33 2.130 -6.515 -2.219 236 HG23 VAL 33 2HG2 VAL 33 1.704 -4.835 -1.811 237 HA PRO 34 HA PRO 34 9.022 -6.522 -2.062 238 HB2 PRO 34 2HB PRO 34 9.279 -4.386 -4.172 239 HB3 PRO 34 3HB PRO 34 10.124 -5.958 -3.990 240 HG2 PRO 34 2HG PRO 34 8.160 -5.649 -5.888 241 HG3 PRO 34 3HG PRO 34 8.564 -7.097 -4.908 242 HD2 PRO 34 2HD PRO 34 6.352 -5.016 -4.528 243 HD3 PRO 34 3HD PRO 34 6.247 -6.799 -4.414 244 H ASP 35 H ASP 35 10.134 -5.345 -0.470 245 HA ASP 35 HA ASP 35 8.908 -3.251 0.751 246 HB2 ASP 35 1HB ASP 35 11.926 -3.690 0.650 247 HB3 ASP 35 2HB ASP 35 11.028 -2.913 1.939 248 HD2 ASP 35 HD ASP 35 10.435 -4.170 3.531 249 H ASN 36 H ASN 36 10.882 -3.374 -2.158 250 HA ASN 36 HA ASN 36 12.048 -0.926 -2.198 251 HB2 ASN 36 1HB ASN 36 11.331 -2.997 -4.116 252 HB3 ASN 36 2HB ASN 36 11.013 -1.433 -4.840 253 HD21 ASN 36 1HD2 ASN 36 12.628 -0.244 -5.589 254 HD22 ASN 36 2HD2 ASN 36 14.318 -0.579 -5.409 255 H PHE 37 H PHE 37 8.653 -1.858 -2.453 256 HA PHE 37 HA PHE 37 7.686 0.363 -3.857 257 HB2 PHE 37 1HB PHE 37 6.465 -1.792 -3.433 258 HB3 PHE 37 2HB PHE 37 6.508 -1.496 -1.706 259 HD1 PHE 37 2HD PHE 37 5.020 0.139 -0.685 260 HD2 PHE 37 1HD PHE 37 4.907 -0.593 -4.864 261 HE1 PHE 37 2HE PHE 37 2.807 1.315 -0.832 262 HE2 PHE 37 1HE PHE 37 2.694 0.583 -5.010 263 HZ PHE 37 HZ PHE 37 1.671 1.523 -2.992 264 H LEU 38 H LEU 38 7.120 2.426 -3.237 265 HA LEU 38 HA LEU 38 7.074 2.990 -0.373 266 HB2 LEU 38 1HB LEU 38 8.591 4.729 -2.309 267 HB3 LEU 38 2HB LEU 38 8.523 4.858 -0.563 268 HG LEU 38 HG LEU 38 9.879 2.669 -2.159 269 HD11 LEU 38 1HD1 LEU 38 11.332 4.422 -0.237 270 HD12 LEU 38 2HD1 LEU 38 11.880 3.674 -1.756 271 HD13 LEU 38 3HD1 LEU 38 10.846 5.122 -1.799 272 HD21 LEU 38 3HD2 LEU 38 9.898 1.351 -0.376 273 HD22 LEU 38 1HD2 LEU 38 10.542 2.661 0.644 274 HD23 LEU 38 2HD2 LEU 38 8.784 2.483 0.428 275 H CYS 39 H CYS 39 5.402 4.314 0.205 276 HA CYS 39 HA CYS 39 3.297 4.729 -1.416 277 HB2 CYS 39 1HB CYS 39 3.411 5.061 1.086 278 HB3 CYS 39 2HB CYS 39 4.099 6.646 0.793 279 HA PRO 40 HA PRO 40 4.753 7.725 -4.348 280 HB2 PRO 40 2HB PRO 40 2.326 8.241 -5.527 281 HB3 PRO 40 3HB PRO 40 3.205 6.694 -5.749 282 HG2 PRO 40 2HG PRO 40 1.101 7.377 -3.946 283 HG3 PRO 40 3HG PRO 40 1.086 5.875 -4.926 284 HD2 PRO 40 2HD PRO 40 1.790 5.775 -2.329 285 HD3 PRO 40 3HD PRO 40 2.772 4.880 -3.528 286 H GLU 41 H GLU 41 2.992 8.276 -1.492 287 HA GLU 41 HA GLU 41 2.997 11.129 -2.095 288 HB2 GLU 41 1HB GLU 41 0.874 9.429 -0.808 289 HB3 GLU 41 2HB GLU 41 1.089 11.058 -0.199 290 HG2 GLU 41 1HG GLU 41 0.520 10.270 -3.094 291 HG3 GLU 41 2HG GLU 41 -0.594 11.059 -1.995 292 HE2 GLU 41 HE GLU 41 -0.002 12.789 -4.219 293 H CYS 42 H CYS 42 3.426 8.478 0.279 294 HA CYS 42 HA CYS 42 5.129 10.294 1.799 295 HB2 CYS 42 1HB CYS 42 4.229 9.699 3.891 296 HB3 CYS 42 2HB CYS 42 2.834 10.041 2.886 297 H SER 43 H SER 43 5.925 8.486 -0.240 298 HA SER 43 HA SER 43 6.679 6.327 -0.526 299 HB2 SER 43 1HB SER 43 8.546 8.268 0.748 300 HB3 SER 43 2HB SER 43 9.112 6.610 0.734 301 HG SER 43 HG SER 43 8.338 6.763 -1.681 302 H LEU 44 H LEU 44 8.391 6.839 2.578 303 HA LEU 44 HA LEU 44 8.100 5.866 4.589 304 HB2 LEU 44 1HB LEU 44 5.613 5.483 3.622 305 HB3 LEU 44 2HB LEU 44 6.152 3.818 3.707 306 HG LEU 44 HG LEU 44 6.642 4.067 6.096 307 HD11 LEU 44 1HD1 LEU 44 7.292 6.274 6.435 308 HD12 LEU 44 2HD1 LEU 44 5.866 6.932 5.597 309 HD13 LEU 44 3HD1 LEU 44 5.690 6.197 7.208 310 HD21 LEU 44 3HD2 LEU 44 4.158 4.714 6.763 311 HD22 LEU 44 1HD2 LEU 44 3.917 4.602 5.003 312 HD23 LEU 44 2HD2 LEU 44 4.541 3.201 5.907 313 H GLY 45 H GLY 45 8.367 3.407 5.467 314 HA2 GLY 45 1HA GLY 45 10.145 2.038 3.538 315 HA3 GLY 45 2HA GLY 45 10.583 2.298 5.215 316 H LYS 46 H LYS 46 7.339 1.430 3.869 317 HA LYS 46 HA LYS 46 5.918 -0.135 4.608 318 HB2 LYS 46 1HB LYS 46 8.275 -1.892 3.860 319 HB3 LYS 46 2HB LYS 46 6.598 -2.392 3.936 320 HG2 LYS 46 1HG LYS 46 6.794 0.004 2.303 321 HG3 LYS 46 2HG LYS 46 7.968 -1.168 1.737 322 HD2 LYS 46 1HD LYS 46 5.436 -2.498 2.337 323 HD3 LYS 46 2HD LYS 46 5.163 -1.157 1.243 324 HE2 LYS 46 1HE LYS 46 5.742 -2.713 -0.355 325 HE3 LYS 46 2HE LYS 46 7.370 -2.207 0.052 326 HZ1 LYS 46 2HZ LYS 46 6.126 -4.731 0.543 327 HZ3 LYS 46 1HZ LYS 46 6.766 -4.133 1.916 328 H ASP 47 H ASP 47 7.551 1.111 6.742 329 HA ASP 47 HA ASP 47 7.668 -1.174 8.548 330 HB2 ASP 47 1HB ASP 47 9.612 0.752 8.003 331 HB3 ASP 47 2HB ASP 47 8.866 1.385 9.456 332 HD2 ASP 47 HD ASP 47 10.804 1.007 10.443 333 H VAL 48 H VAL 48 5.255 0.406 7.703 334 HA VAL 48 HA VAL 48 4.356 1.129 10.347 335 HB VAL 48 HB VAL 48 4.104 3.144 8.118 336 HG11 VAL 48 1HG1 VAL 48 2.547 2.991 10.228 337 HG12 VAL 48 2HG1 VAL 48 3.933 3.735 11.060 338 HG13 VAL 48 3HG1 VAL 48 3.169 4.568 9.684 339 HG21 VAL 48 3HG2 VAL 48 6.484 2.913 8.588 340 HG22 VAL 48 1HG2 VAL 48 5.877 4.451 9.248 341 HG23 VAL 48 2HG2 VAL 48 6.180 3.074 10.334 342 H PHE 49 H PHE 49 3.575 1.269 6.799 343 HA PHE 49 HA PHE 49 1.010 1.204 6.610 344 HB2 PHE 49 1HB PHE 49 3.222 -0.462 5.459 345 HB3 PHE 49 2HB PHE 49 1.632 -1.156 5.213 346 HD1 PHE 49 1HD PHE 49 3.645 1.902 4.634 347 HD2 PHE 49 2HD PHE 49 0.201 -0.323 3.541 348 HE1 PHE 49 1HE PHE 49 3.284 3.424 2.671 349 HE2 PHE 49 2HE PHE 49 -0.159 1.199 1.578 350 HZ PHE 49 HZ PHE 49 1.387 3.054 1.166 351 H GLU 50 H GLU 50 -0.837 0.043 7.148 352 HA GLU 50 HA GLU 50 -0.347 -2.399 8.665 353 HB2 GLU 50 1HB GLU 50 -2.238 -0.103 9.295 354 HB3 GLU 50 2HB GLU 50 -2.454 -1.694 9.997 355 HG2 GLU 50 1HG GLU 50 0.319 -1.038 10.310 356 HG3 GLU 50 2HG GLU 50 -0.585 0.392 10.767 357 HE2 GLU 50 HE GLU 50 -0.627 -3.066 11.337 358 H GLU 51 H GLU 51 -2.955 -3.278 9.045 359 HA GLU 51 HA GLU 51 -4.681 -4.201 8.093 360 HB2 GLU 51 1HB GLU 51 -4.437 -1.770 6.619 361 HB3 GLU 51 2HB GLU 51 -4.751 -3.025 5.436 362 HG2 GLU 51 1HG GLU 51 -6.400 -2.918 7.978 363 HG3 GLU 51 2HG GLU 51 -6.774 -1.827 6.659 364 HE2 GLU 51 HE GLU 51 -8.028 -2.693 5.111 365 H LEU 52 H LEU 52 -5.158 -4.938 5.312 366 HA LEU 52 HA LEU 52 -2.723 -6.351 4.566 367 HB2 LEU 52 1HB LEU 52 -4.238 -8.418 4.246 368 HB3 LEU 52 2HB LEU 52 -3.549 -8.065 5.818 369 HG LEU 52 HG LEU 52 -6.274 -6.988 5.245 370 HD11 LEU 52 1HD1 LEU 52 -5.936 -9.875 6.060 371 HD12 LEU 52 2HD1 LEU 52 -7.419 -9.013 5.584 372 HD13 LEU 52 3HD1 LEU 52 -6.174 -9.380 4.367 373 HD21 LEU 52 3HD2 LEU 52 -5.536 -8.411 7.755 374 HD22 LEU 52 1HD2 LEU 52 -4.733 -6.859 7.419 375 HD23 LEU 52 2HD2 LEU 52 -6.509 -6.942 7.505 376 H ALA 53 H ALA 53 -3.553 -7.797 2.439 377 HA ALA 53 HA ALA 53 -5.402 -6.250 0.861 378 HB1 ALA 53 1HB ALA 53 -3.092 -6.400 -0.776 379 HB2 ALA 53 2HB ALA 53 -3.865 -4.937 -0.120 380 HB3 ALA 53 3HB ALA 53 -2.554 -5.732 0.784 381 H SER 54 H SER 54 -4.575 -7.295 -1.671 382 HA SER 54 HA SER 54 -4.797 -9.053 -2.922 383 HB2 SER 54 1HB SER 54 -2.729 -9.894 -2.006 384 HB3 SER 54 2HB SER 54 -3.512 -10.430 -0.533 385 HG SER 54 HG SER 54 -4.556 -11.526 -2.923 386 H GLU 55 H GLU 55 -6.635 -10.191 -3.513 387 HA GLU 55 HA GLU 55 -8.815 -10.236 -1.897 388 HB2 GLU 55 1HB GLU 55 -9.683 -11.999 -3.555 389 HB3 GLU 55 2HB GLU 55 -9.144 -10.480 -4.240 390 HG2 GLU 55 1HG GLU 55 -7.339 -11.437 -5.301 391 HG3 GLU 55 2HG GLU 55 -6.994 -12.520 -3.968 392 HE2 GLU 55 HE GLU 55 -9.218 -13.797 -6.995 393 H ALA 56 H ALA 56 -6.096 -12.483 -2.047 394 HA ALA 56 HA ALA 56 -7.024 -13.790 0.317 395 HB1 ALA 56 1HB ALA 56 -6.975 -15.267 -2.341 396 HB2 ALA 56 2HB ALA 56 -6.942 -16.088 -0.762 397 HB3 ALA 56 3HB ALA 56 -8.343 -15.090 -1.217 398 H LYS 57 H LYS 57 -4.863 -14.372 -2.556 399 HA LYS 57 HA LYS 57 -2.567 -13.881 -0.890 400 HB2 LYS 57 1HB LYS 57 -3.332 -16.352 -0.592 401 HB3 LYS 57 2HB LYS 57 -2.701 -16.587 -2.209 402 HG2 LYS 57 1HG LYS 57 -0.501 -15.585 -1.446 403 HG3 LYS 57 2HG LYS 57 -1.145 -15.490 0.181 404 HD2 LYS 57 1HD LYS 57 -1.136 -17.818 0.480 405 HD3 LYS 57 2HD LYS 57 -1.294 -18.150 -1.234 406 HE2 LYS 57 1HE LYS 57 0.965 -18.217 -1.529 407 HE3 LYS 57 2HE LYS 57 1.198 -16.701 -0.680 408 HZ1 LYS 57 2HZ LYS 57 1.159 -17.874 1.413 409 HZ3 LYS 57 1HZ LYS 57 2.218 -18.655 0.453 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -9.971 -7.564 -3.360 2 HA2 GLY 1 1HA GLY 1 -11.581 -7.780 -1.792 3 HA3 GLY 1 2HA GLY 1 -10.424 -8.845 -1.018 4 HA PRO 2 HA PRO 2 -9.859 -5.777 2.132 5 HB2 PRO 2 2HB PRO 2 -7.384 -6.407 3.084 6 HB3 PRO 2 3HB PRO 2 -8.748 -7.570 3.150 7 HG2 PRO 2 2HG PRO 2 -6.601 -7.362 1.464 8 HG3 PRO 2 3HG PRO 2 -7.173 -9.046 1.692 9 HD2 PRO 2 2HD PRO 2 -7.595 -7.529 -0.618 10 HD3 PRO 2 3HD PRO 2 -8.691 -8.840 -0.084 11 H ARG 3 H ARG 3 -8.451 -3.881 2.902 12 HA ARG 3 HA ARG 3 -6.735 -2.952 0.760 13 HB2 ARG 3 1HB ARG 3 -8.311 -0.790 2.041 14 HB3 ARG 3 2HB ARG 3 -7.953 -1.045 0.345 15 HG2 ARG 3 1HG ARG 3 -10.289 -1.371 0.429 16 HG3 ARG 3 2HG ARG 3 -9.674 -3.011 0.472 17 HD2 ARG 3 1HD ARG 3 -10.492 -3.376 2.574 18 HD3 ARG 3 2HD ARG 3 -9.853 -1.860 3.177 19 HE ARG 3 HE ARG 3 -12.544 -2.309 2.047 20 HH11 ARG 3 2HH2 ARG 3 -10.137 0.077 3.079 21 HH12 ARG 3 1HH2 ARG 3 -11.296 1.352 3.260 22 HH22 ARG 3 1HH ARG 3 -13.605 0.914 2.788 23 H MET 4 H MET 4 -5.301 -1.073 1.525 24 HA MET 4 HA MET 4 -4.968 -1.194 4.420 25 HB2 MET 4 1HB MET 4 -2.663 -0.919 2.432 26 HB3 MET 4 2HB MET 4 -2.561 -1.346 4.129 27 HG2 MET 4 1HG MET 4 -3.523 -3.535 3.739 28 HG3 MET 4 2HG MET 4 -4.035 -3.104 2.120 29 HE1 MET 4 3HE MET 4 0.057 -3.773 3.821 30 HE2 MET 4 1HE MET 4 -1.555 -3.874 4.567 31 HE3 MET 4 2HE MET 4 -0.914 -5.254 3.645 32 H GLN 5 H GLN 5 -3.132 0.683 4.959 33 HA GLN 5 HA GLN 5 -3.277 2.954 3.334 34 HB2 GLN 5 1HB GLN 5 -4.731 4.395 4.604 35 HB3 GLN 5 2HB GLN 5 -5.633 2.931 4.267 36 HG2 GLN 5 1HG GLN 5 -4.213 2.485 6.724 37 HG3 GLN 5 2HG GLN 5 -4.940 4.076 6.839 38 HE21 GLN 5 1HE2 GLN 5 -6.015 1.200 5.060 39 HE22 GLN 5 2HE2 GLN 5 -7.532 0.988 5.868 40 H CYS 6 H CYS 6 -1.810 4.590 4.070 41 HA CYS 6 HA CYS 6 0.017 3.611 6.052 42 HB2 CYS 6 1HB CYS 6 0.740 6.231 5.194 43 HB3 CYS 6 2HB CYS 6 1.498 4.702 4.797 44 H SER 7 H SER 7 0.773 5.128 7.849 45 HA SER 7 HA SER 7 -1.570 6.474 8.914 46 HB2 SER 7 1HB SER 7 -0.747 6.019 11.077 47 HB3 SER 7 2HB SER 7 -0.316 4.580 10.175 48 HG SER 7 HG SER 7 1.745 4.973 10.570 49 H VAL 8 H VAL 8 0.319 7.580 6.830 50 HA VAL 8 HA VAL 8 1.269 9.885 8.386 51 HB VAL 8 HB VAL 8 2.500 8.616 5.931 52 HG11 VAL 8 1HG1 VAL 8 2.999 10.860 5.645 53 HG12 VAL 8 2HG1 VAL 8 3.045 11.186 7.394 54 HG13 VAL 8 3HG1 VAL 8 4.384 10.307 6.617 55 HG21 VAL 8 3HG2 VAL 8 4.465 8.467 7.697 56 HG22 VAL 8 1HG2 VAL 8 3.118 8.480 8.861 57 HG23 VAL 8 2HG2 VAL 8 3.205 7.213 7.613 58 H CYS 9 H CYS 9 0.205 8.716 5.116 59 HA CYS 9 HA CYS 9 -0.883 11.397 4.687 60 HB2 CYS 9 1HB CYS 9 -0.561 11.151 2.409 61 HB3 CYS 9 2HB CYS 9 0.828 10.300 3.054 62 H GLN 10 H GLN 10 -1.514 7.856 4.691 63 HA GLN 10 HA GLN 10 -3.387 6.807 5.189 64 HB2 GLN 10 1HB GLN 10 -4.128 9.281 6.062 65 HB3 GLN 10 2HB GLN 10 -5.267 9.093 4.744 66 HG2 GLN 10 1HG GLN 10 -5.321 6.589 6.037 67 HG3 GLN 10 2HG GLN 10 -5.196 7.735 7.356 68 HE21 GLN 10 1HE2 GLN 10 -7.229 6.203 5.198 69 HE22 GLN 10 2HE2 GLN 10 -8.661 7.160 5.378 70 H TRP 11 H TRP 11 -2.310 6.509 2.768 71 HA TRP 11 HA TRP 11 -4.322 7.119 0.755 72 HB2 TRP 11 1HB TRP 11 -1.997 7.598 0.236 73 HB3 TRP 11 2HB TRP 11 -1.549 5.933 0.551 74 HD1 TRP 11 HD TRP 11 -3.859 7.853 -1.952 75 HE1 TRP 11 1HE TRP 11 -3.911 6.625 -4.287 76 HE3 TRP 11 3HE TRP 11 -0.985 3.906 -0.531 77 HZ2 TRP 11 2HZ TRP 11 -2.770 4.195 -5.256 78 HZ3 TRP 11 3HZ TRP 11 -0.501 2.150 -2.233 79 HH2 TRP 11 HH TRP 11 -1.343 2.249 -4.526 80 H ILE 12 H ILE 12 -5.968 5.676 0.482 81 HA ILE 12 HA ILE 12 -5.795 3.073 1.627 82 HB ILE 12 HB ILE 12 -7.884 4.356 -0.138 83 HG12 ILE 12 1HG1 ILE 12 -7.416 4.337 2.830 84 HG13 ILE 12 2HG1 ILE 12 -7.833 5.675 1.778 85 HG21 ILE 12 1HG2 ILE 12 -7.680 1.722 0.169 86 HG22 ILE 12 2HG2 ILE 12 -8.506 2.093 1.701 87 HG23 ILE 12 3HG2 ILE 12 -9.251 2.559 0.153 88 HD11 ILE 12 3HD1 ILE 12 -9.635 3.428 2.748 89 HD12 ILE 12 1HD1 ILE 12 -9.845 5.183 2.958 90 HD13 ILE 12 2HD1 ILE 12 -10.077 4.444 1.356 91 H TYR 13 H TYR 13 -4.706 1.474 0.779 92 HA TYR 13 HA TYR 13 -4.126 1.450 -2.108 93 HB2 TYR 13 1HB TYR 13 -2.261 1.024 -0.682 94 HB3 TYR 13 2HB TYR 13 -3.173 -0.152 0.278 95 HD1 TYR 13 2HD TYR 13 -3.721 -2.387 -0.670 96 HD2 TYR 13 1HD TYR 13 -1.187 0.402 -2.731 97 HE1 TYR 13 2HE TYR 13 -2.881 -4.218 -2.115 98 HE2 TYR 13 1HE TYR 13 -0.347 -1.429 -4.177 99 HH TYR 13 HH TYR 13 -1.098 -3.721 -4.967 100 H ASP 14 H ASP 14 -5.861 0.681 -3.334 101 HA ASP 14 HA ASP 14 -7.283 -1.579 -2.222 102 HB2 ASP 14 1HB ASP 14 -8.375 0.549 -3.291 103 HB3 ASP 14 2HB ASP 14 -7.900 -0.140 -4.831 104 HD2 ASP 14 HD ASP 14 -10.060 -1.111 -5.609 105 HA PRO 15 HA PRO 15 -4.505 -4.142 -4.686 106 HB2 PRO 15 2HB PRO 15 -6.692 -6.100 -3.910 107 HB3 PRO 15 3HB PRO 15 -4.907 -6.253 -3.831 108 HG2 PRO 15 2HG PRO 15 -6.160 -5.572 -1.342 109 HG3 PRO 15 3HG PRO 15 -4.738 -5.012 -2.281 110 HD2 PRO 15 2HD PRO 15 -7.589 -3.830 -2.285 111 HD3 PRO 15 3HD PRO 15 -6.111 -3.043 -1.653 112 H ALA 16 H ALA 16 -7.939 -3.406 -5.137 113 HA ALA 16 HA ALA 16 -8.118 -4.897 -7.588 114 HB1 ALA 16 1HB ALA 16 -9.883 -3.167 -5.896 115 HB2 ALA 16 2HB ALA 16 -10.292 -3.322 -7.621 116 HB3 ALA 16 3HB ALA 16 -10.192 -4.774 -6.597 117 H LYS 17 H LYS 17 -6.562 -2.052 -6.629 118 HA LYS 17 HA LYS 17 -6.505 -1.160 -9.406 119 HB2 LYS 17 1HB LYS 17 -6.585 1.011 -7.390 120 HB3 LYS 17 2HB LYS 17 -7.223 0.957 -9.020 121 HG2 LYS 17 1HG LYS 17 -8.450 -0.593 -6.694 122 HG3 LYS 17 2HG LYS 17 -8.980 1.010 -7.164 123 HD2 LYS 17 1HD LYS 17 -8.853 -0.685 -9.526 124 HD3 LYS 17 2HD LYS 17 -9.784 -1.499 -8.283 125 HE2 LYS 17 1HE LYS 17 -11.206 0.542 -8.006 126 HE3 LYS 17 2HE LYS 17 -10.270 1.365 -9.238 127 HZ1 LYS 17 2HZ LYS 17 -11.260 -1.189 -10.121 128 HZ3 LYS 17 1HZ LYS 17 -11.371 0.260 -10.855 129 H GLY 18 H GLY 18 -5.209 -0.221 -6.137 130 HA2 GLY 18 1HA GLY 18 -3.097 0.282 -5.514 131 HA3 GLY 18 2HA GLY 18 -2.710 -1.247 -6.280 132 H GLU 19 H GLU 19 -0.987 -1.063 -7.637 133 HA GLU 19 HA GLU 19 -1.077 1.043 -9.592 134 HB2 GLU 19 1HB GLU 19 1.187 0.734 -7.581 135 HB3 GLU 19 2HB GLU 19 1.403 1.565 -9.109 136 HG2 GLU 19 1HG GLU 19 -0.792 2.304 -7.123 137 HG3 GLU 19 2HG GLU 19 0.793 3.051 -7.107 138 HE2 GLU 19 HE GLU 19 -1.928 4.426 -9.461 139 HA PRO 20 HA PRO 20 0.124 -3.036 -11.292 140 HB2 PRO 20 2HB PRO 20 -1.371 -1.922 -13.631 141 HB3 PRO 20 3HB PRO 20 -1.598 -3.453 -12.724 142 HG2 PRO 20 2HG PRO 20 -3.383 -1.339 -12.500 143 HG3 PRO 20 3HG PRO 20 -3.059 -2.428 -11.111 144 HD2 PRO 20 2HD PRO 20 -1.840 0.286 -11.815 145 HD3 PRO 20 3HD PRO 20 -2.384 -0.325 -10.222 146 H MET 21 H MET 21 1.153 0.121 -11.589 147 HA MET 21 HA MET 21 2.932 -0.665 -13.757 148 HB2 MET 21 1HB MET 21 1.734 2.123 -13.293 149 HB3 MET 21 2HB MET 21 2.840 1.700 -14.584 150 HG2 MET 21 1HG MET 21 -0.008 0.672 -14.198 151 HG3 MET 21 2HG MET 21 0.578 1.692 -15.497 152 HE1 MET 21 3HE MET 21 -0.164 -2.363 -15.191 153 HE2 MET 21 1HE MET 21 -1.024 -0.807 -15.268 154 HE3 MET 21 2HE MET 21 -0.577 -1.653 -16.769 155 H GLN 22 H GLN 22 3.209 -0.801 -10.794 156 HA GLN 22 HA GLN 22 5.545 0.916 -10.633 157 HB2 GLN 22 1HB GLN 22 3.683 2.009 -9.371 158 HB3 GLN 22 2HB GLN 22 3.505 0.567 -8.391 159 HG2 GLN 22 1HG GLN 22 5.326 1.069 -7.100 160 HG3 GLN 22 2HG GLN 22 6.298 1.531 -8.483 161 HE21 GLN 22 1HE2 GLN 22 3.987 2.561 -6.088 162 HE22 GLN 22 2HE2 GLN 22 4.167 4.273 -6.283 163 H ASP 23 H ASP 23 4.737 -2.071 -11.086 164 HA ASP 23 HA ASP 23 5.948 -3.891 -10.767 165 HB2 ASP 23 1HB ASP 23 7.089 -2.866 -8.148 166 HB3 ASP 23 2HB ASP 23 7.773 -4.060 -9.232 167 HD2 ASP 23 HD ASP 23 9.944 -2.422 -9.801 168 H VAL 24 H VAL 24 3.374 -2.767 -9.363 169 HA VAL 24 HA VAL 24 3.064 -5.044 -7.565 170 HB VAL 24 HB VAL 24 2.256 -2.217 -6.859 171 HG11 VAL 24 1HG1 VAL 24 2.172 -3.630 -4.540 172 HG12 VAL 24 2HG1 VAL 24 0.768 -3.372 -5.604 173 HG13 VAL 24 3HG1 VAL 24 1.695 -4.889 -5.705 174 HG21 VAL 24 3HG2 VAL 24 4.003 -2.575 -5.003 175 HG22 VAL 24 1HG2 VAL 24 4.636 -3.885 -6.029 176 HG23 VAL 24 2HG2 VAL 24 4.598 -2.214 -6.641 177 H ALA 25 H ALA 25 1.742 -6.131 -9.031 178 HA ALA 25 HA ALA 25 -0.359 -4.726 -10.378 179 HB1 ALA 25 1HB ALA 25 -0.335 -6.558 -11.697 180 HB2 ALA 25 2HB ALA 25 1.095 -7.072 -10.769 181 HB3 ALA 25 3HB ALA 25 -0.523 -7.655 -10.308 182 HA PRO 26 HA PRO 26 -3.829 -5.075 -7.775 183 HB2 PRO 26 2HB PRO 26 -5.098 -6.969 -9.759 184 HB3 PRO 26 3HB PRO 26 -5.686 -5.413 -9.087 185 HG2 PRO 26 2HG PRO 26 -4.697 -5.480 -11.643 186 HG3 PRO 26 3HG PRO 26 -4.529 -4.176 -10.422 187 HD2 PRO 26 2HD PRO 26 -2.554 -6.356 -11.263 188 HD3 PRO 26 3HD PRO 26 -2.250 -4.616 -10.975 189 H GLY 27 H GLY 27 -5.221 -6.718 -6.493 190 HA2 GLY 27 1HA GLY 27 -5.064 -8.410 -4.986 191 HA3 GLY 27 2HA GLY 27 -5.063 -9.382 -6.445 192 H THR 28 H THR 28 -2.642 -7.240 -4.762 193 HA THR 28 HA THR 28 -0.765 -9.508 -4.899 194 HB THR 28 HB THR 28 -0.373 -6.520 -5.414 195 HG1 THR 28 1HG THR 28 0.279 -7.464 -7.446 196 HG21 THR 28 3HG2 THR 28 1.974 -8.177 -5.886 197 HG22 THR 28 1HG2 THR 28 1.843 -6.706 -4.892 198 HG23 THR 28 2HG2 THR 28 1.503 -8.299 -4.174 199 HA PRO 29 HA PRO 29 -1.478 -9.340 -0.499 200 HB2 PRO 29 2HB PRO 29 0.924 -11.179 -0.893 201 HB3 PRO 29 3HB PRO 29 -0.485 -11.327 0.208 202 HG2 PRO 29 2HG PRO 29 -0.740 -12.771 -2.271 203 HG3 PRO 29 3HG PRO 29 -1.770 -11.688 -1.279 204 HD2 PRO 29 2HD PRO 29 -0.081 -10.995 -3.762 205 HD3 PRO 29 3HD PRO 29 -1.853 -10.827 -3.569 206 H TRP 30 H TRP 30 -0.623 -7.785 0.889 207 HA TRP 30 HA TRP 30 1.429 -6.126 0.126 208 HB2 TRP 30 1HB TRP 30 -0.166 -5.485 1.790 209 HB3 TRP 30 2HB TRP 30 0.326 -6.785 2.858 210 HD1 TRP 30 HD TRP 30 2.258 -6.207 4.564 211 HE1 TRP 30 1HE TRP 30 3.863 -4.174 5.071 212 HE3 TRP 30 3HE TRP 30 1.088 -3.561 0.383 213 HZ2 TRP 30 2HZ TRP 30 4.449 -1.742 3.697 214 HZ3 TRP 30 3HZ TRP 30 2.221 -1.367 0.041 215 HH2 TRP 30 HH TRP 30 3.850 -0.451 1.616 216 H SER 31 H SER 31 1.464 -9.367 1.501 217 HA SER 31 HA SER 31 4.053 -9.214 2.578 218 HB2 SER 31 1HB SER 31 3.881 -11.656 2.771 219 HB3 SER 31 2HB SER 31 2.380 -10.907 3.280 220 HG SER 31 HG SER 31 1.335 -11.627 1.469 221 H GLU 32 H GLU 32 2.652 -10.407 -0.541 222 HA GLU 32 HA GLU 32 5.083 -11.327 -1.547 223 HB2 GLU 32 1HB GLU 32 2.327 -10.964 -2.489 224 HB3 GLU 32 2HB GLU 32 3.484 -10.618 -3.758 225 HG2 GLU 32 1HG GLU 32 4.025 -12.815 -3.993 226 HG3 GLU 32 2HG GLU 32 4.284 -13.010 -2.270 227 HE2 GLU 32 HE GLU 32 0.995 -14.387 -3.899 228 H VAL 33 H VAL 33 3.507 -8.137 -1.460 229 HA VAL 33 HA VAL 33 4.760 -6.820 -3.485 230 HB VAL 33 HB VAL 33 3.960 -5.980 -0.704 231 HG11 VAL 33 1HG1 VAL 33 4.185 -3.633 -1.441 232 HG12 VAL 33 2HG1 VAL 33 5.753 -4.474 -1.393 233 HG13 VAL 33 3HG1 VAL 33 4.943 -4.189 -2.952 234 HG21 VAL 33 3HG2 VAL 33 2.020 -5.084 -1.730 235 HG22 VAL 33 1HG2 VAL 33 2.716 -5.233 -3.362 236 HG23 VAL 33 2HG2 VAL 33 2.251 -6.693 -2.456 237 HA PRO 34 HA PRO 34 9.062 -7.442 -2.727 238 HB2 PRO 34 2HB PRO 34 9.210 -5.044 -4.553 239 HB3 PRO 34 3HB PRO 34 9.980 -6.659 -4.678 240 HG2 PRO 34 2HG PRO 34 7.801 -6.094 -6.298 241 HG3 PRO 34 3HG PRO 34 8.308 -7.596 -5.458 242 HD2 PRO 34 2HD PRO 34 6.223 -5.498 -4.636 243 HD3 PRO 34 3HD PRO 34 6.040 -7.277 -4.718 244 H ASP 35 H ASP 35 10.941 -6.042 -1.908 245 HA ASP 35 HA ASP 35 9.811 -4.114 -0.087 246 HB2 ASP 35 1HB ASP 35 11.446 -5.961 0.610 247 HB3 ASP 35 2HB ASP 35 12.686 -5.118 -0.296 248 HD2 ASP 35 HD ASP 35 11.265 -5.258 2.763 249 H ASN 36 H ASN 36 9.801 -1.970 -0.782 250 HA ASN 36 HA ASN 36 11.884 -0.466 -1.315 251 HB2 ASN 36 1HB ASN 36 11.419 -2.211 -3.634 252 HB3 ASN 36 2HB ASN 36 11.260 -0.528 -4.094 253 HD21 ASN 36 1HD2 ASN 36 13.049 0.191 -4.941 254 HD22 ASN 36 2HD2 ASN 36 14.666 -0.094 -4.391 255 H PHE 37 H PHE 37 8.882 -1.342 -3.200 256 HA PHE 37 HA PHE 37 7.877 0.889 -4.050 257 HB2 PHE 37 1HB PHE 37 6.625 -1.246 -3.943 258 HB3 PHE 37 2HB PHE 37 6.570 -1.180 -2.193 259 HD1 PHE 37 2HD PHE 37 5.141 0.564 -1.082 260 HD2 PHE 37 1HD PHE 37 4.970 -0.177 -5.257 261 HE1 PHE 37 2HE PHE 37 2.912 1.713 -1.195 262 HE2 PHE 37 1HE PHE 37 2.741 0.972 -5.370 263 HZ PHE 37 HZ PHE 37 1.739 1.904 -3.337 264 H LEU 38 H LEU 38 7.590 2.960 -3.381 265 HA LEU 38 HA LEU 38 7.210 3.364 -0.495 266 HB2 LEU 38 1HB LEU 38 8.588 5.223 -2.434 267 HB3 LEU 38 2HB LEU 38 8.402 5.454 -0.707 268 HG LEU 38 HG LEU 38 10.080 3.347 -2.090 269 HD11 LEU 38 1HD1 LEU 38 11.643 4.812 -0.305 270 HD12 LEU 38 2HD1 LEU 38 11.626 4.944 -2.080 271 HD13 LEU 38 3HD1 LEU 38 10.608 6.024 -1.098 272 HD21 LEU 38 3HD2 LEU 38 9.658 3.743 0.885 273 HD22 LEU 38 1HD2 LEU 38 9.012 2.402 -0.091 274 HD23 LEU 38 2HD2 LEU 38 10.770 2.586 0.116 275 H CYS 39 H CYS 39 5.405 4.463 0.136 276 HA CYS 39 HA CYS 39 3.272 4.741 -1.497 277 HB2 CYS 39 1HB CYS 39 3.225 4.866 0.985 278 HB3 CYS 39 2HB CYS 39 3.890 6.486 0.910 279 HA PRO 40 HA PRO 40 4.401 8.102 -4.161 280 HB2 PRO 40 2HB PRO 40 1.944 8.453 -5.330 281 HB3 PRO 40 3HB PRO 40 2.974 7.020 -5.652 282 HG2 PRO 40 2HG PRO 40 0.806 7.356 -3.833 283 HG3 PRO 40 3HG PRO 40 0.946 5.934 -4.918 284 HD2 PRO 40 2HD PRO 40 1.642 5.723 -2.323 285 HD3 PRO 40 3HD PRO 40 2.708 5.009 -3.570 286 H GLU 41 H GLU 41 2.682 8.261 -1.264 287 HA GLU 41 HA GLU 41 2.305 11.123 -1.673 288 HB2 GLU 41 1HB GLU 41 0.438 9.081 -0.539 289 HB3 GLU 41 2HB GLU 41 0.516 10.606 0.321 290 HG2 GLU 41 1HG GLU 41 0.078 10.399 -2.693 291 HG3 GLU 41 2HG GLU 41 -1.232 10.504 -1.535 292 HE2 GLU 41 HE GLU 41 -1.869 12.531 -1.247 293 H CYS 42 H CYS 42 3.111 8.405 0.530 294 HA CYS 42 HA CYS 42 4.728 10.283 2.053 295 HB2 CYS 42 1HB CYS 42 3.936 9.584 4.175 296 HB3 CYS 42 2HB CYS 42 2.511 9.969 3.231 297 H SER 43 H SER 43 5.612 8.591 0.002 298 HA SER 43 HA SER 43 6.489 6.517 -0.396 299 HB2 SER 43 1HB SER 43 8.261 8.302 1.256 300 HB3 SER 43 2HB SER 43 8.861 6.702 0.867 301 HG SER 43 HG SER 43 9.291 8.589 -0.687 302 H LEU 44 H LEU 44 7.956 6.865 2.865 303 HA LEU 44 HA LEU 44 7.824 5.635 4.704 304 HB2 LEU 44 1HB LEU 44 5.218 5.010 3.445 305 HB3 LEU 44 2HB LEU 44 5.789 3.868 4.645 306 HG LEU 44 HG LEU 44 5.357 6.838 5.068 307 HD11 LEU 44 1HD1 LEU 44 3.295 6.388 5.783 308 HD12 LEU 44 2HD1 LEU 44 3.484 4.797 5.007 309 HD13 LEU 44 3HD1 LEU 44 3.841 4.990 6.741 310 HD21 LEU 44 3HD2 LEU 44 6.723 4.768 6.709 311 HD22 LEU 44 1HD2 LEU 44 7.004 6.522 6.593 312 HD23 LEU 44 2HD2 LEU 44 5.644 5.900 7.558 313 H GLY 45 H GLY 45 9.354 4.130 5.086 314 HA2 GLY 45 1HA GLY 45 10.164 2.344 3.001 315 HA3 GLY 45 2HA GLY 45 10.832 2.482 4.616 316 H LYS 46 H LYS 46 7.532 1.651 3.317 317 HA LYS 46 HA LYS 46 6.085 0.129 4.123 318 HB2 LYS 46 1HB LYS 46 8.443 -1.611 3.338 319 HB3 LYS 46 2HB LYS 46 6.789 -2.163 3.508 320 HG2 LYS 46 1HG LYS 46 6.631 0.129 1.835 321 HG3 LYS 46 2HG LYS 46 8.040 -0.747 1.272 322 HD2 LYS 46 1HD LYS 46 5.739 -2.520 1.848 323 HD3 LYS 46 2HD LYS 46 5.388 -1.329 0.611 324 HE2 LYS 46 1HE LYS 46 6.472 -2.672 -0.866 325 HE3 LYS 46 2HE LYS 46 7.967 -2.237 -0.063 326 HZ1 LYS 46 2HZ LYS 46 7.275 -4.725 -0.203 327 HZ3 LYS 46 1HZ LYS 46 6.324 -4.398 1.078 328 H ASP 47 H ASP 47 7.596 1.402 6.260 329 HA ASP 47 HA ASP 47 7.651 -0.860 8.099 330 HB2 ASP 47 1HB ASP 47 9.459 1.547 7.829 331 HB3 ASP 47 2HB ASP 47 9.184 0.897 9.433 332 HD2 ASP 47 HD ASP 47 11.920 0.298 8.748 333 H VAL 48 H VAL 48 5.465 1.070 7.188 334 HA VAL 48 HA VAL 48 4.545 1.780 9.805 335 HB VAL 48 HB VAL 48 5.169 3.928 7.770 336 HG11 VAL 48 1HG1 VAL 48 3.370 3.882 10.159 337 HG12 VAL 48 2HG1 VAL 48 4.331 5.350 9.859 338 HG13 VAL 48 3HG1 VAL 48 3.205 4.754 8.616 339 HG21 VAL 48 3HG2 VAL 48 6.519 4.876 9.677 340 HG22 VAL 48 1HG2 VAL 48 6.266 3.336 10.534 341 HG23 VAL 48 2HG2 VAL 48 7.149 3.360 8.989 342 H PHE 49 H PHE 49 3.802 -0.087 7.705 343 HA PHE 49 HA PHE 49 1.304 1.162 6.798 344 HB2 PHE 49 1HB PHE 49 3.403 -0.523 5.593 345 HB3 PHE 49 2HB PHE 49 1.857 -1.341 5.487 346 HD1 PHE 49 1HD PHE 49 3.652 1.756 4.568 347 HD2 PHE 49 2HD PHE 49 0.208 -0.641 3.936 348 HE1 PHE 49 1HE PHE 49 3.056 3.142 2.562 349 HE2 PHE 49 2HE PHE 49 -0.389 0.745 1.930 350 HZ PHE 49 HZ PHE 49 1.042 2.620 1.267 351 H GLU 50 H GLU 50 -0.667 0.107 7.193 352 HA GLU 50 HA GLU 50 -0.412 -2.267 8.872 353 HB2 GLU 50 1HB GLU 50 -2.279 -1.519 10.203 354 HB3 GLU 50 2HB GLU 50 -1.155 -0.180 10.095 355 HG2 GLU 50 1HG GLU 50 -2.499 0.906 8.365 356 HG3 GLU 50 2HG GLU 50 -3.534 -0.500 8.210 357 HE2 GLU 50 HE GLU 50 -4.350 -1.106 10.548 358 H GLU 51 H GLU 51 -3.308 -2.712 8.986 359 HA GLU 51 HA GLU 51 -4.754 -3.950 7.923 360 HB2 GLU 51 1HB GLU 51 -4.412 -1.500 6.316 361 HB3 GLU 51 2HB GLU 51 -5.080 -2.824 5.382 362 HG2 GLU 51 1HG GLU 51 -7.003 -1.811 6.314 363 HG3 GLU 51 2HG GLU 51 -6.722 -3.173 7.380 364 HE2 GLU 51 HE GLU 51 -6.031 -2.771 9.358 365 H LEU 52 H LEU 52 -5.193 -4.758 5.255 366 HA LEU 52 HA LEU 52 -2.647 -5.844 4.353 367 HB2 LEU 52 1HB LEU 52 -4.110 -8.066 4.115 368 HB3 LEU 52 2HB LEU 52 -3.056 -7.728 5.473 369 HG LEU 52 HG LEU 52 -5.860 -6.769 5.721 370 HD11 LEU 52 1HD1 LEU 52 -6.151 -9.330 6.636 371 HD12 LEU 52 2HD1 LEU 52 -6.752 -8.719 5.075 372 HD13 LEU 52 3HD1 LEU 52 -5.195 -9.577 5.155 373 HD21 LEU 52 3HD2 LEU 52 -5.542 -7.106 7.988 374 HD22 LEU 52 1HD2 LEU 52 -4.311 -8.367 7.740 375 HD23 LEU 52 2HD2 LEU 52 -3.909 -6.659 7.438 376 H ALA 53 H ALA 53 -3.301 -7.317 2.247 377 HA ALA 53 HA ALA 53 -5.425 -5.951 0.795 378 HB1 ALA 53 1HB ALA 53 -2.654 -5.300 0.531 379 HB2 ALA 53 2HB ALA 53 -3.142 -6.181 -0.936 380 HB3 ALA 53 3HB ALA 53 -4.021 -4.714 -0.445 381 H SER 54 H SER 54 -4.767 -7.083 -1.749 382 HA SER 54 HA SER 54 -4.968 -8.902 -2.917 383 HB2 SER 54 1HB SER 54 -2.898 -9.692 -1.854 384 HB3 SER 54 2HB SER 54 -3.792 -10.295 -0.473 385 HG SER 54 HG SER 54 -3.951 -12.130 -1.551 386 H GLU 55 H GLU 55 -6.823 -10.048 -3.446 387 HA GLU 55 HA GLU 55 -8.977 -9.978 -1.748 388 HB2 GLU 55 1HB GLU 55 -10.100 -11.397 -3.411 389 HB3 GLU 55 2HB GLU 55 -9.130 -10.180 -4.215 390 HG2 GLU 55 1HG GLU 55 -7.493 -12.534 -3.721 391 HG3 GLU 55 2HG GLU 55 -8.976 -13.021 -4.517 392 HE2 GLU 55 HE GLU 55 -8.693 -13.039 -6.555 393 H ALA 56 H ALA 56 -10.103 -11.620 -0.529 394 HA ALA 56 HA ALA 56 -8.604 -14.085 -0.074 395 HB1 ALA 56 1HB ALA 56 -9.464 -12.081 2.046 396 HB2 ALA 56 2HB ALA 56 -8.968 -13.752 2.403 397 HB3 ALA 56 3HB ALA 56 -7.809 -12.617 1.672 398 H LYS 57 H LYS 57 -11.557 -12.146 0.776 399 HA LYS 57 HA LYS 57 -13.070 -14.653 0.611 400 HB2 LYS 57 1HB LYS 57 -12.998 -13.147 2.747 401 HB3 LYS 57 2HB LYS 57 -14.103 -12.117 1.859 402 HG2 LYS 57 1HG LYS 57 -14.781 -15.019 1.772 403 HG3 LYS 57 2HG LYS 57 -14.866 -14.302 3.369 404 HD2 LYS 57 1HD LYS 57 -16.165 -12.934 0.985 405 HD3 LYS 57 2HD LYS 57 -16.996 -14.218 1.840 406 HE2 LYS 57 1HE LYS 57 -16.960 -12.977 3.929 407 HE3 LYS 57 2HE LYS 57 -15.844 -11.791 3.283 408 HZ1 LYS 57 2HZ LYS 57 -18.692 -11.913 2.971 409 HZ3 LYS 57 1HZ LYS 57 -17.944 -11.708 1.539 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.492 -9.434 0.166 2 HA2 GLY 1 1HA GLY 1 -9.622 -7.954 -1.683 3 HA3 GLY 1 2HA GLY 1 -11.300 -7.511 -1.928 4 HA PRO 2 HA PRO 2 -9.914 -5.602 2.225 5 HB2 PRO 2 2HB PRO 2 -7.518 -6.150 3.304 6 HB3 PRO 2 3HB PRO 2 -8.793 -7.411 3.271 7 HG2 PRO 2 2HG PRO 2 -6.783 -6.851 1.643 8 HG3 PRO 2 3HG PRO 2 -6.806 -8.639 1.787 9 HD2 PRO 2 2HD PRO 2 -7.669 -7.514 -0.479 10 HD3 PRO 2 3HD PRO 2 -8.687 -8.781 0.271 11 H ARG 3 H ARG 3 -8.504 -3.667 2.917 12 HA ARG 3 HA ARG 3 -6.943 -2.777 0.628 13 HB2 ARG 3 1HB ARG 3 -8.215 -0.612 2.205 14 HB3 ARG 3 2HB ARG 3 -8.125 -0.810 0.467 15 HG2 ARG 3 1HG ARG 3 -10.433 -1.052 0.881 16 HG3 ARG 3 2HG ARG 3 -9.894 -2.717 0.793 17 HD2 ARG 3 1HD ARG 3 -9.495 -2.096 3.492 18 HD3 ARG 3 2HD ARG 3 -10.957 -1.208 3.110 19 HE ARG 3 HE ARG 3 -10.990 -3.953 2.091 20 HH11 ARG 3 2HH2 ARG 3 -11.674 -1.914 4.907 21 HH12 ARG 3 1HH2 ARG 3 -12.801 -3.033 5.599 22 HH22 ARG 3 1HH ARG 3 -13.258 -5.093 4.462 23 H MET 4 H MET 4 -5.383 -0.915 1.271 24 HA MET 4 HA MET 4 -4.653 -1.144 4.079 25 HB2 MET 4 1HB MET 4 -3.057 -1.793 1.614 26 HB3 MET 4 2HB MET 4 -2.196 -0.882 2.839 27 HG2 MET 4 1HG MET 4 -3.634 -2.949 4.218 28 HG3 MET 4 2HG MET 4 -2.881 -3.706 2.829 29 HE1 MET 4 3HE MET 4 -0.967 -4.327 2.519 30 HE2 MET 4 1HE MET 4 0.426 -3.232 2.686 31 HE3 MET 4 2HE MET 4 0.223 -4.592 3.816 32 H GLN 5 H GLN 5 -3.968 0.783 5.043 33 HA GLN 5 HA GLN 5 -3.778 3.045 3.209 34 HB2 GLN 5 1HB GLN 5 -5.083 2.894 5.956 35 HB3 GLN 5 2HB GLN 5 -4.714 4.414 5.166 36 HG2 GLN 5 1HG GLN 5 -6.645 4.260 3.995 37 HG3 GLN 5 2HG GLN 5 -6.039 2.818 3.203 38 HE21 GLN 5 1HE2 GLN 5 -5.877 0.985 5.165 39 HE22 GLN 5 2HE2 GLN 5 -7.431 0.620 5.837 40 H CYS 6 H CYS 6 -2.355 4.837 3.949 41 HA CYS 6 HA CYS 6 -0.201 3.754 5.599 42 HB2 CYS 6 1HB CYS 6 0.725 4.294 3.523 43 HB3 CYS 6 2HB CYS 6 -0.258 5.733 3.331 44 H SER 7 H SER 7 0.162 4.682 7.602 45 HA SER 7 HA SER 7 -1.613 6.774 8.383 46 HB2 SER 7 1HB SER 7 -0.878 6.327 10.615 47 HB3 SER 7 2HB SER 7 -0.959 4.767 9.820 48 HG SER 7 HG SER 7 1.085 4.521 10.382 49 H VAL 8 H VAL 8 -0.212 7.953 6.431 50 HA VAL 8 HA VAL 8 1.361 9.893 7.855 51 HB VAL 8 HB VAL 8 2.599 8.281 5.615 52 HG11 VAL 8 1HG1 VAL 8 4.657 9.573 6.220 53 HG12 VAL 8 2HG1 VAL 8 3.352 10.568 5.530 54 HG13 VAL 8 3HG1 VAL 8 3.652 10.586 7.284 55 HG21 VAL 8 3HG2 VAL 8 3.146 8.274 8.600 56 HG22 VAL 8 1HG2 VAL 8 2.558 6.921 7.604 57 HG23 VAL 8 2HG2 VAL 8 4.213 7.538 7.380 58 H CYS 9 H CYS 9 0.787 8.691 4.467 59 HA CYS 9 HA CYS 9 0.169 11.418 3.715 60 HB2 CYS 9 1HB CYS 9 0.082 10.424 1.388 61 HB3 CYS 9 2HB CYS 9 1.639 10.358 2.189 62 H GLN 10 H GLN 10 -1.283 8.171 4.157 63 HA GLN 10 HA GLN 10 -3.378 7.651 4.580 64 HB2 GLN 10 1HB GLN 10 -3.552 10.409 4.904 65 HB3 GLN 10 2HB GLN 10 -4.749 10.109 3.661 66 HG2 GLN 10 1HG GLN 10 -4.604 8.826 6.423 67 HG3 GLN 10 2HG GLN 10 -5.847 9.906 5.824 68 HE21 GLN 10 1HE2 GLN 10 -7.297 9.204 4.221 69 HE22 GLN 10 2HE2 GLN 10 -7.636 7.526 3.955 70 H TRP 11 H TRP 11 -2.341 6.646 2.400 71 HA TRP 11 HA TRP 11 -4.136 7.329 0.179 72 HB2 TRP 11 1HB TRP 11 -1.612 7.490 -0.094 73 HB3 TRP 11 2HB TRP 11 -1.577 5.741 0.024 74 HD1 TRP 11 HD TRP 11 -2.941 8.514 -2.321 75 HE1 TRP 11 1HE TRP 11 -3.342 7.576 -4.755 76 HE3 TRP 11 3HE TRP 11 -1.965 3.656 -1.177 77 HZ2 TRP 11 2HZ TRP 11 -3.209 4.967 -5.903 78 HZ3 TRP 11 3HZ TRP 11 -2.123 1.977 -3.013 79 HH2 TRP 11 HH TRP 11 -2.720 2.565 -5.309 80 H ILE 12 H ILE 12 -5.676 5.835 -0.414 81 HA ILE 12 HA ILE 12 -5.817 3.424 1.173 82 HB ILE 12 HB ILE 12 -7.712 4.506 -0.914 83 HG12 ILE 12 1HG1 ILE 12 -7.412 5.091 2.021 84 HG13 ILE 12 2HG1 ILE 12 -7.649 6.202 0.687 85 HG21 ILE 12 1HG2 ILE 12 -7.662 1.988 0.058 86 HG22 ILE 12 2HG2 ILE 12 -8.660 2.782 1.299 87 HG23 ILE 12 3HG2 ILE 12 -9.150 2.844 -0.411 88 HD11 ILE 12 3HD1 ILE 12 -9.820 6.195 1.447 89 HD12 ILE 12 1HD1 ILE 12 -9.934 4.729 0.443 90 HD13 ILE 12 2HD1 ILE 12 -9.659 4.588 2.196 91 H TYR 13 H TYR 13 -4.792 1.673 0.589 92 HA TYR 13 HA TYR 13 -4.067 1.281 -2.249 93 HB2 TYR 13 1HB TYR 13 -2.317 1.071 -0.550 94 HB3 TYR 13 2HB TYR 13 -3.263 -0.164 0.298 95 HD1 TYR 13 2HD TYR 13 -3.640 -2.394 -0.771 96 HD2 TYR 13 1HD TYR 13 -0.977 0.529 -2.448 97 HE1 TYR 13 2HE TYR 13 -2.572 -4.158 -2.149 98 HE2 TYR 13 1HE TYR 13 0.091 -1.234 -3.826 99 HH TYR 13 HH TYR 13 -0.947 -3.835 -4.721 100 H ASP 14 H ASP 14 -5.945 0.512 -3.316 101 HA ASP 14 HA ASP 14 -7.279 -1.698 -2.005 102 HB2 ASP 14 1HB ASP 14 -8.482 0.353 -3.071 103 HB3 ASP 14 2HB ASP 14 -8.067 -0.352 -4.621 104 HD2 ASP 14 HD ASP 14 -9.328 -2.897 -2.334 105 HA PRO 15 HA PRO 15 -4.599 -4.337 -4.506 106 HB2 PRO 15 2HB PRO 15 -6.707 -6.293 -3.549 107 HB3 PRO 15 3HB PRO 15 -4.917 -6.398 -3.521 108 HG2 PRO 15 2HG PRO 15 -6.210 -5.726 -1.125 109 HG3 PRO 15 3HG PRO 15 -4.710 -5.165 -1.933 110 HD2 PRO 15 2HD PRO 15 -7.500 -3.876 -1.890 111 HD3 PRO 15 3HD PRO 15 -5.933 -3.134 -1.447 112 H ALA 16 H ALA 16 -8.091 -3.721 -4.766 113 HA ALA 16 HA ALA 16 -8.390 -5.294 -7.139 114 HB1 ALA 16 1HB ALA 16 -10.168 -4.683 -5.375 115 HB2 ALA 16 2HB ALA 16 -10.216 -3.083 -6.154 116 HB3 ALA 16 3HB ALA 16 -10.638 -4.540 -7.085 117 H LYS 17 H LYS 17 -6.826 -2.371 -6.400 118 HA LYS 17 HA LYS 17 -6.894 -1.644 -9.226 119 HB2 LYS 17 1HB LYS 17 -6.906 0.649 -7.358 120 HB3 LYS 17 2HB LYS 17 -7.649 0.470 -8.935 121 HG2 LYS 17 1HG LYS 17 -8.690 -0.929 -6.429 122 HG3 LYS 17 2HG LYS 17 -9.279 0.629 -6.972 123 HD2 LYS 17 1HD LYS 17 -9.278 -1.225 -9.214 124 HD3 LYS 17 2HD LYS 17 -10.110 -1.961 -7.860 125 HE2 LYS 17 1HE LYS 17 -11.784 -0.316 -7.802 126 HE3 LYS 17 2HE LYS 17 -10.751 0.917 -8.498 127 HZ1 LYS 17 2HZ LYS 17 -12.584 -0.364 -9.923 128 HZ3 LYS 17 1HZ LYS 17 -11.336 -1.371 -10.211 129 H GLY 18 H GLY 18 -5.474 -0.502 -6.077 130 HA2 GLY 18 1HA GLY 18 -3.344 -0.016 -5.530 131 HA3 GLY 18 2HA GLY 18 -2.948 -1.510 -6.355 132 H GLU 19 H GLU 19 -0.965 -0.781 -7.243 133 HA GLU 19 HA GLU 19 -1.324 1.271 -9.286 134 HB2 GLU 19 1HB GLU 19 0.798 0.939 -7.198 135 HB3 GLU 19 2HB GLU 19 1.342 1.452 -8.782 136 HG2 GLU 19 1HG GLU 19 -0.784 2.820 -7.069 137 HG3 GLU 19 2HG GLU 19 0.827 3.424 -7.402 138 HE2 GLU 19 HE GLU 19 1.171 3.518 -9.928 139 HA PRO 20 HA PRO 20 -0.278 -2.724 -11.323 140 HB2 PRO 20 2HB PRO 20 -1.833 -1.379 -13.501 141 HB3 PRO 20 3HB PRO 20 -2.047 -2.988 -12.737 142 HG2 PRO 20 2HG PRO 20 -3.816 -0.937 -12.217 143 HG3 PRO 20 3HG PRO 20 -3.292 -2.260 -11.125 144 HD2 PRO 20 2HD PRO 20 -2.315 0.635 -11.319 145 HD3 PRO 20 3HD PRO 20 -2.735 -0.310 -9.859 146 H MET 21 H MET 21 0.673 0.522 -11.513 147 HA MET 21 HA MET 21 2.445 -0.167 -13.724 148 HB2 MET 21 1HB MET 21 1.143 2.545 -13.111 149 HB3 MET 21 2HB MET 21 2.335 2.288 -14.369 150 HG2 MET 21 1HG MET 21 0.754 1.507 -15.807 151 HG3 MET 21 2HG MET 21 0.198 0.323 -14.642 152 HE1 MET 21 3HE MET 21 -1.415 0.489 -13.055 153 HE2 MET 21 1HE MET 21 -2.748 1.665 -12.971 154 HE3 MET 21 2HE MET 21 -2.615 0.567 -14.366 155 H GLN 22 H GLN 22 2.913 -0.548 -10.878 156 HA GLN 22 HA GLN 22 5.190 1.221 -10.656 157 HB2 GLN 22 1HB GLN 22 3.331 2.223 -9.293 158 HB3 GLN 22 2HB GLN 22 3.244 0.745 -8.355 159 HG2 GLN 22 1HG GLN 22 5.183 1.200 -7.192 160 HG3 GLN 22 2HG GLN 22 5.981 1.906 -8.583 161 HE21 GLN 22 1HE2 GLN 22 3.770 2.429 -5.933 162 HE22 GLN 22 2HE2 GLN 22 3.785 4.161 -5.933 163 H ASP 23 H ASP 23 4.508 -1.706 -11.310 164 HA ASP 23 HA ASP 23 5.647 -3.561 -11.077 165 HB2 ASP 23 1HB ASP 23 6.971 -2.565 -8.527 166 HB3 ASP 23 2HB ASP 23 7.558 -3.794 -9.630 167 HD2 ASP 23 HD ASP 23 9.092 -0.371 -9.980 168 H VAL 24 H VAL 24 3.176 -2.495 -9.470 169 HA VAL 24 HA VAL 24 2.981 -4.832 -7.739 170 HB VAL 24 HB VAL 24 2.274 -2.029 -6.851 171 HG11 VAL 24 1HG1 VAL 24 1.482 -4.638 -5.922 172 HG12 VAL 24 2HG1 VAL 24 2.462 -3.832 -4.674 173 HG13 VAL 24 3HG1 VAL 24 1.007 -3.033 -5.315 174 HG21 VAL 24 3HG2 VAL 24 4.161 -2.143 -5.336 175 HG22 VAL 24 1HG2 VAL 24 4.558 -3.787 -5.893 176 HG23 VAL 24 2HG2 VAL 24 4.732 -2.405 -7.002 177 H ALA 25 H ALA 25 1.475 -5.885 -8.998 178 HA ALA 25 HA ALA 25 -0.701 -4.375 -10.143 179 HB1 ALA 25 1HB ALA 25 -0.612 -6.058 -11.625 180 HB2 ALA 25 2HB ALA 25 0.680 -6.819 -10.666 181 HB3 ALA 25 3HB ALA 25 -1.022 -7.228 -10.348 182 HA PRO 26 HA PRO 26 -3.911 -4.932 -7.255 183 HB2 PRO 26 2HB PRO 26 -5.791 -6.440 -8.714 184 HB3 PRO 26 3HB PRO 26 -5.541 -4.668 -8.845 185 HG2 PRO 26 2HG PRO 26 -4.487 -6.834 -10.376 186 HG3 PRO 26 3HG PRO 26 -5.091 -5.377 -11.231 187 HD2 PRO 26 2HD PRO 26 -2.490 -5.580 -10.990 188 HD3 PRO 26 3HD PRO 26 -3.201 -4.070 -10.343 189 H GLY 27 H GLY 27 -5.277 -6.708 -6.063 190 HA2 GLY 27 1HA GLY 27 -5.022 -8.523 -4.719 191 HA3 GLY 27 2HA GLY 27 -5.096 -9.362 -6.256 192 H THR 28 H THR 28 -2.619 -7.387 -4.453 193 HA THR 28 HA THR 28 -0.743 -9.616 -4.881 194 HB THR 28 HB THR 28 -0.298 -6.600 -5.179 195 HG1 THR 28 1HG THR 28 -0.046 -7.290 -7.365 196 HG21 THR 28 3HG2 THR 28 1.587 -8.883 -4.759 197 HG22 THR 28 1HG2 THR 28 1.939 -7.868 -6.179 198 HG23 THR 28 2HG2 THR 28 1.866 -7.136 -4.558 199 HA PRO 29 HA PRO 29 -0.980 -9.735 -0.468 200 HB2 PRO 29 2HB PRO 29 1.492 -11.387 -1.134 201 HB3 PRO 29 3HB PRO 29 0.157 -11.704 0.022 202 HG2 PRO 29 2HG PRO 29 -0.181 -13.008 -2.532 203 HG3 PRO 29 3HG PRO 29 -1.175 -12.013 -1.420 204 HD2 PRO 29 2HD PRO 29 0.440 -11.057 -3.870 205 HD3 PRO 29 3HD PRO 29 -1.343 -11.078 -3.715 206 H TRP 30 H TRP 30 -0.246 -7.968 0.711 207 HA TRP 30 HA TRP 30 1.713 -6.261 -0.037 208 HB2 TRP 30 1HB TRP 30 0.221 -5.683 1.705 209 HB3 TRP 30 2HB TRP 30 0.720 -7.036 2.700 210 HD1 TRP 30 HD TRP 30 2.681 -6.554 4.404 211 HE1 TRP 30 1HE TRP 30 4.305 -4.557 4.986 212 HE3 TRP 30 3HE TRP 30 1.465 -3.699 0.376 213 HZ2 TRP 30 2HZ TRP 30 4.886 -2.064 3.725 214 HZ3 TRP 30 3HZ TRP 30 2.607 -1.497 0.126 215 HH2 TRP 30 HH TRP 30 4.265 -0.668 1.719 216 H SER 31 H SER 31 1.985 -9.477 1.450 217 HA SER 31 HA SER 31 4.623 -9.202 2.313 218 HB2 SER 31 1HB SER 31 3.516 -11.015 3.282 219 HB3 SER 31 2HB SER 31 2.740 -11.487 1.784 220 HG SER 31 HG SER 31 4.353 -13.019 2.228 221 H GLU 32 H GLU 32 3.102 -10.403 -0.738 222 HA GLU 32 HA GLU 32 5.478 -11.273 -1.889 223 HB2 GLU 32 1HB GLU 32 3.135 -11.876 -2.620 224 HB3 GLU 32 2HB GLU 32 2.967 -10.270 -3.300 225 HG2 GLU 32 1HG GLU 32 4.203 -10.800 -5.143 226 HG3 GLU 32 2HG GLU 32 5.458 -11.563 -4.188 227 HE2 GLU 32 HE GLU 32 3.201 -13.883 -6.230 228 H VAL 33 H VAL 33 3.861 -8.091 -1.716 229 HA VAL 33 HA VAL 33 5.103 -6.749 -3.742 230 HB VAL 33 HB VAL 33 4.263 -5.914 -0.969 231 HG11 VAL 33 1HG1 VAL 33 5.373 -3.991 -1.209 232 HG12 VAL 33 2HG1 VAL 33 5.896 -4.435 -2.851 233 HG13 VAL 33 3HG1 VAL 33 4.330 -3.626 -2.605 234 HG21 VAL 33 3HG2 VAL 33 2.416 -6.585 -2.337 235 HG22 VAL 33 1HG2 VAL 33 2.416 -4.806 -2.280 236 HG23 VAL 33 2HG2 VAL 33 3.024 -5.650 -3.725 237 HA PRO 34 HA PRO 34 9.411 -7.148 -2.973 238 HB2 PRO 34 2HB PRO 34 9.478 -4.604 -4.592 239 HB3 PRO 34 3HB PRO 34 10.306 -6.175 -4.847 240 HG2 PRO 34 2HG PRO 34 8.133 -5.507 -6.413 241 HG3 PRO 34 3HG PRO 34 8.649 -7.097 -5.763 242 HD2 PRO 34 2HD PRO 34 6.513 -5.154 -4.736 243 HD3 PRO 34 3HD PRO 34 6.390 -6.922 -4.982 244 H ASP 35 H ASP 35 10.950 -6.175 -1.537 245 HA ASP 35 HA ASP 35 9.798 -4.240 0.183 246 HB2 ASP 35 1HB ASP 35 12.076 -4.408 1.330 247 HB3 ASP 35 2HB ASP 35 11.183 -5.911 1.207 248 HD2 ASP 35 HD ASP 35 13.658 -7.302 0.846 249 H ASN 36 H ASN 36 9.810 -2.068 -0.433 250 HA ASN 36 HA ASN 36 11.917 -0.516 -0.624 251 HB2 ASN 36 1HB ASN 36 11.789 -2.140 -3.061 252 HB3 ASN 36 2HB ASN 36 11.613 -0.444 -3.466 253 HD21 ASN 36 1HD2 ASN 36 13.278 0.957 -3.229 254 HD22 ASN 36 2HD2 ASN 36 14.893 0.506 -2.798 255 H PHE 37 H PHE 37 9.164 -1.322 -2.882 256 HA PHE 37 HA PHE 37 8.238 0.951 -3.729 257 HB2 PHE 37 1HB PHE 37 6.915 -1.052 -4.005 258 HB3 PHE 37 2HB PHE 37 6.877 -1.365 -2.282 259 HD1 PHE 37 2HD PHE 37 5.599 0.454 -0.854 260 HD2 PHE 37 1HD PHE 37 5.032 -0.168 -5.013 261 HE1 PHE 37 2HE PHE 37 3.339 1.537 -0.708 262 HE2 PHE 37 1HE PHE 37 2.772 0.914 -4.867 263 HZ PHE 37 HZ PHE 37 1.953 1.754 -2.716 264 H LEU 38 H LEU 38 7.088 2.812 -3.072 265 HA LEU 38 HA LEU 38 6.580 3.084 -0.216 266 HB2 LEU 38 1HB LEU 38 7.917 5.377 -1.547 267 HB3 LEU 38 2HB LEU 38 7.918 4.888 0.136 268 HG LEU 38 HG LEU 38 9.322 3.103 -1.800 269 HD11 LEU 38 1HD1 LEU 38 11.336 4.456 -1.812 270 HD12 LEU 38 2HD1 LEU 38 9.985 5.358 -2.539 271 HD13 LEU 38 3HD1 LEU 38 10.516 5.733 -0.882 272 HD21 LEU 38 3HD2 LEU 38 9.933 4.041 1.017 273 HD22 LEU 38 1HD2 LEU 38 9.201 2.487 0.547 274 HD23 LEU 38 2HD2 LEU 38 10.880 2.855 0.087 275 H CYS 39 H CYS 39 4.882 4.542 0.274 276 HA CYS 39 HA CYS 39 2.945 4.752 -1.713 277 HB2 CYS 39 1HB CYS 39 1.980 6.474 0.065 278 HB3 CYS 39 2HB CYS 39 1.968 4.745 0.351 279 HA PRO 40 HA PRO 40 4.439 8.379 -3.788 280 HB2 PRO 40 2HB PRO 40 2.294 8.763 -5.432 281 HB3 PRO 40 3HB PRO 40 3.394 7.358 -5.615 282 HG2 PRO 40 2HG PRO 40 0.903 7.580 -4.287 283 HG3 PRO 40 3HG PRO 40 1.263 6.208 -5.385 284 HD2 PRO 40 2HD PRO 40 1.400 5.888 -2.703 285 HD3 PRO 40 3HD PRO 40 2.680 5.187 -3.739 286 H GLU 41 H GLU 41 4.409 9.774 -1.824 287 HA GLU 41 HA GLU 41 2.997 11.994 -2.027 288 HB2 GLU 41 1HB GLU 41 1.219 9.877 -1.051 289 HB3 GLU 41 2HB GLU 41 1.316 11.197 0.097 290 HG2 GLU 41 1HG GLU 41 0.850 11.690 -2.873 291 HG3 GLU 41 2HG GLU 41 -0.476 11.376 -1.772 292 HE2 GLU 41 HE GLU 41 2.182 14.096 -1.773 293 H CYS 42 H CYS 42 3.780 9.457 0.432 294 HA CYS 42 HA CYS 42 5.275 11.528 1.860 295 HB2 CYS 42 1HB CYS 42 4.322 11.086 3.859 296 HB3 CYS 42 2HB CYS 42 2.980 10.522 2.883 297 H SER 43 H SER 43 4.708 8.020 1.166 298 HA SER 43 HA SER 43 6.132 6.429 0.693 299 HB2 SER 43 1HB SER 43 8.555 8.142 1.302 300 HB3 SER 43 2HB SER 43 8.415 6.812 0.170 301 HG SER 43 HG SER 43 8.406 9.148 -0.669 302 H LEU 44 H LEU 44 7.245 4.766 1.929 303 HA LEU 44 HA LEU 44 8.096 5.460 4.604 304 HB2 LEU 44 1HB LEU 44 5.640 3.839 4.013 305 HB3 LEU 44 2HB LEU 44 6.594 3.518 5.447 306 HG LEU 44 HG LEU 44 5.469 6.252 4.801 307 HD11 LEU 44 1HD1 LEU 44 3.634 5.779 6.323 308 HD12 LEU 44 2HD1 LEU 44 3.633 4.623 4.969 309 HD13 LEU 44 3HD1 LEU 44 4.234 4.121 6.568 310 HD21 LEU 44 3HD2 LEU 44 5.886 5.554 7.601 311 HD22 LEU 44 1HD2 LEU 44 7.385 5.467 6.645 312 HD23 LEU 44 2HD2 LEU 44 6.434 6.972 6.674 313 H GLY 45 H GLY 45 9.068 3.466 5.702 314 HA2 GLY 45 1HA GLY 45 10.698 2.103 3.729 315 HA3 GLY 45 2HA GLY 45 10.880 2.084 5.472 316 H LYS 46 H LYS 46 7.611 1.554 4.416 317 HA LYS 46 HA LYS 46 6.296 -0.218 4.368 318 HB2 LYS 46 1HB LYS 46 8.867 -1.541 3.511 319 HB3 LYS 46 2HB LYS 46 7.402 -2.475 3.735 320 HG2 LYS 46 1HG LYS 46 6.565 -0.222 2.246 321 HG3 LYS 46 2HG LYS 46 8.121 -0.638 1.556 322 HD2 LYS 46 1HD LYS 46 6.199 -2.895 2.094 323 HD3 LYS 46 2HD LYS 46 5.830 -1.825 0.755 324 HE2 LYS 46 1HE LYS 46 7.701 -2.479 -0.477 325 HE3 LYS 46 2HE LYS 46 8.663 -2.815 0.948 326 HZ1 LYS 46 2HZ LYS 46 7.310 -4.819 1.313 327 HZ3 LYS 46 1HZ LYS 46 7.998 -4.870 -0.162 328 H ASP 47 H ASP 47 7.047 0.766 6.844 329 HA ASP 47 HA ASP 47 6.933 -1.690 8.362 330 HB2 ASP 47 1HB ASP 47 9.003 0.496 8.622 331 HB3 ASP 47 2HB ASP 47 8.456 -0.302 10.083 332 HD2 ASP 47 HD ASP 47 10.156 -3.127 9.636 333 H VAL 48 H VAL 48 4.779 -0.008 7.686 334 HA VAL 48 HA VAL 48 3.970 0.909 10.275 335 HB VAL 48 HB VAL 48 4.353 2.868 8.004 336 HG11 VAL 48 1HG1 VAL 48 2.378 3.673 8.833 337 HG12 VAL 48 2HG1 VAL 48 2.627 2.952 10.441 338 HG13 VAL 48 3HG1 VAL 48 3.495 4.439 9.988 339 HG21 VAL 48 3HG2 VAL 48 5.685 4.099 9.774 340 HG22 VAL 48 1HG2 VAL 48 5.592 2.619 10.759 341 HG23 VAL 48 2HG2 VAL 48 6.409 2.586 9.178 342 H PHE 49 H PHE 49 3.313 1.031 6.707 343 HA PHE 49 HA PHE 49 0.754 1.329 6.459 344 HB2 PHE 49 1HB PHE 49 2.820 -0.400 5.290 345 HB3 PHE 49 2HB PHE 49 1.281 -1.234 5.224 346 HD1 PHE 49 2HD PHE 49 -0.540 -0.381 3.851 347 HD2 PHE 49 1HD PHE 49 3.192 1.632 4.006 348 HE1 PHE 49 2HE PHE 49 -1.166 0.935 1.808 349 HE2 PHE 49 1HE PHE 49 2.567 2.948 1.962 350 HZ PHE 49 HZ PHE 49 0.395 2.584 0.887 351 H GLU 50 H GLU 50 -1.256 0.242 6.730 352 HA GLU 50 HA GLU 50 -1.497 -1.168 9.078 353 HB2 GLU 50 1HB GLU 50 -3.430 -1.158 6.719 354 HB3 GLU 50 2HB GLU 50 -3.836 -1.549 8.378 355 HG2 GLU 50 1HG GLU 50 -2.720 0.883 8.812 356 HG3 GLU 50 2HG GLU 50 -3.219 1.128 7.150 357 HE2 GLU 50 HE GLU 50 -5.658 0.401 10.174 358 H GLU 51 H GLU 51 -3.447 -3.072 7.198 359 HA GLU 51 HA GLU 51 -1.736 -4.877 6.025 360 HB2 GLU 51 1HB GLU 51 -1.511 -6.661 7.615 361 HB3 GLU 51 2HB GLU 51 -0.989 -5.203 8.436 362 HG2 GLU 51 1HG GLU 51 -3.599 -5.099 9.124 363 HG3 GLU 51 2HG GLU 51 -3.492 -6.827 8.853 364 HE2 GLU 51 HE GLU 51 -2.107 -4.840 11.843 365 H LEU 52 H LEU 52 -3.446 -4.797 4.484 366 HA LEU 52 HA LEU 52 -5.464 -6.719 4.875 367 HB2 LEU 52 1HB LEU 52 -6.095 -3.988 5.646 368 HB3 LEU 52 2HB LEU 52 -7.139 -4.556 4.358 369 HG LEU 52 HG LEU 52 -6.700 -6.029 6.970 370 HD11 LEU 52 1HD1 LEU 52 -9.122 -4.391 6.193 371 HD12 LEU 52 2HD1 LEU 52 -8.769 -5.162 7.758 372 HD13 LEU 52 3HD1 LEU 52 -7.797 -3.775 7.210 373 HD21 LEU 52 3HD2 LEU 52 -8.415 -7.498 6.332 374 HD22 LEU 52 1HD2 LEU 52 -8.938 -6.452 4.991 375 HD23 LEU 52 2HD2 LEU 52 -7.394 -7.332 4.884 376 H ALA 53 H ALA 53 -4.164 -7.356 2.985 377 HA ALA 53 HA ALA 53 -5.313 -6.188 0.591 378 HB1 ALA 53 1HB ALA 53 -3.401 -5.310 -0.260 379 HB2 ALA 53 2HB ALA 53 -2.856 -5.280 1.434 380 HB3 ALA 53 3HB ALA 53 -2.397 -6.635 0.375 381 H SER 54 H SER 54 -4.814 -7.614 -1.351 382 HA SER 54 HA SER 54 -5.224 -9.616 -2.170 383 HB2 SER 54 1HB SER 54 -2.624 -9.301 -1.876 384 HB3 SER 54 2HB SER 54 -2.767 -10.565 -0.671 385 HG SER 54 HG SER 54 -4.144 -11.426 -2.816 386 H GLU 55 H GLU 55 -7.122 -10.457 -1.238 387 HA GLU 55 HA GLU 55 -6.727 -12.646 0.507 388 HB2 GLU 55 1HB GLU 55 -8.029 -10.114 1.561 389 HB3 GLU 55 2HB GLU 55 -8.455 -11.683 2.216 390 HG2 GLU 55 1HG GLU 55 -5.827 -12.008 2.427 391 HG3 GLU 55 2HG GLU 55 -5.780 -10.261 2.305 392 HE2 GLU 55 HE GLU 55 -5.424 -12.010 4.879 393 H ALA 56 H ALA 56 -9.113 -13.504 1.181 394 HA ALA 56 HA ALA 56 -11.253 -12.738 -0.474 395 HB1 ALA 56 1HB ALA 56 -9.930 -15.343 -1.304 396 HB2 ALA 56 2HB ALA 56 -11.284 -14.497 -2.092 397 HB3 ALA 56 3HB ALA 56 -9.645 -13.804 -2.152 398 H LYS 57 H LYS 57 -11.201 -12.957 2.198 399 HA LYS 57 HA LYS 57 -12.395 -15.591 2.719 400 HB2 LYS 57 1HB LYS 57 -10.805 -13.768 4.542 401 HB3 LYS 57 2HB LYS 57 -11.747 -15.127 5.121 402 HG2 LYS 57 1HG LYS 57 -10.391 -16.443 3.207 403 HG3 LYS 57 2HG LYS 57 -9.250 -15.132 3.426 404 HD2 LYS 57 1HD LYS 57 -9.744 -15.769 6.050 405 HD3 LYS 57 2HD LYS 57 -9.994 -17.336 5.307 406 HE2 LYS 57 1HE LYS 57 -7.772 -17.534 4.625 407 HE3 LYS 57 2HE LYS 57 -7.559 -15.805 4.431 408 HZ1 LYS 57 2HZ LYS 57 -8.043 -16.211 7.132 409 HZ3 LYS 57 1HZ LYS 57 -6.613 -15.824 6.454 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -11.124 -9.232 0.754 2 HA2 GLY 1 1HA GLY 1 -9.900 -7.927 -1.443 3 HA3 GLY 1 2HA GLY 1 -11.613 -7.558 -1.405 4 HA PRO 2 HA PRO 2 -9.743 -5.722 2.575 5 HB2 PRO 2 2HB PRO 2 -7.258 -6.404 3.414 6 HB3 PRO 2 3HB PRO 2 -8.631 -7.549 3.556 7 HG2 PRO 2 2HG PRO 2 -6.631 -7.293 1.738 8 HG3 PRO 2 3HG PRO 2 -7.031 -9.028 1.957 9 HD2 PRO 2 2HD PRO 2 -7.746 -7.614 -0.292 10 HD3 PRO 2 3HD PRO 2 -8.802 -8.889 0.389 11 H ARG 3 H ARG 3 -8.339 -3.797 3.133 12 HA ARG 3 HA ARG 3 -6.599 -3.057 0.946 13 HB2 ARG 3 1HB ARG 3 -8.321 -0.849 2.007 14 HB3 ARG 3 2HB ARG 3 -7.744 -1.118 0.374 15 HG2 ARG 3 1HG ARG 3 -10.093 -1.504 0.243 16 HG3 ARG 3 2HG ARG 3 -9.389 -3.108 0.259 17 HD2 ARG 3 1HD ARG 3 -10.385 -3.638 2.244 18 HD3 ARG 3 2HD ARG 3 -9.879 -2.136 2.992 19 HE ARG 3 HE ARG 3 -12.026 -1.711 1.073 20 HH11 ARG 3 2HH2 ARG 3 -11.354 -2.728 4.399 21 HH12 ARG 3 1HH2 ARG 3 -12.926 -2.293 4.982 22 HH22 ARG 3 1HH ARG 3 -14.525 -1.360 3.460 23 H MET 4 H MET 4 -4.919 -1.537 1.581 24 HA MET 4 HA MET 4 -4.601 -1.459 4.459 25 HB2 MET 4 1HB MET 4 -2.500 -0.513 2.485 26 HB3 MET 4 2HB MET 4 -2.268 -1.339 4.013 27 HG2 MET 4 1HG MET 4 -3.412 -3.393 2.884 28 HG3 MET 4 2HG MET 4 -3.188 -2.542 1.369 29 HE1 MET 4 3HE MET 4 -0.209 -4.440 4.149 30 HE2 MET 4 1HE MET 4 -1.978 -4.277 4.255 31 HE3 MET 4 2HE MET 4 -1.258 -5.437 3.113 32 H GLN 5 H GLN 5 -2.914 0.694 4.860 33 HA GLN 5 HA GLN 5 -3.757 3.003 3.530 34 HB2 GLN 5 1HB GLN 5 -5.071 4.084 5.296 35 HB3 GLN 5 2HB GLN 5 -5.853 2.596 4.801 36 HG2 GLN 5 1HG GLN 5 -4.060 1.844 6.880 37 HG3 GLN 5 2HG GLN 5 -4.802 3.335 7.426 38 HE21 GLN 5 1HE2 GLN 5 -6.016 0.705 5.362 39 HE22 GLN 5 2HE2 GLN 5 -7.388 0.277 6.330 40 H CYS 6 H CYS 6 -2.002 4.334 3.670 41 HA CYS 6 HA CYS 6 0.034 3.725 5.551 42 HB2 CYS 6 1HB CYS 6 1.306 4.697 4.002 43 HB3 CYS 6 2HB CYS 6 -0.131 5.070 3.070 44 H SER 7 H SER 7 0.871 5.258 7.192 45 HA SER 7 HA SER 7 -1.279 6.970 8.163 46 HB2 SER 7 1HB SER 7 -0.578 6.521 10.388 47 HB3 SER 7 2HB SER 7 -0.492 4.968 9.580 48 HG SER 7 HG SER 7 1.901 6.015 9.166 49 H VAL 8 H VAL 8 -0.305 8.535 6.482 50 HA VAL 8 HA VAL 8 1.395 10.351 7.859 51 HB VAL 8 HB VAL 8 2.494 8.584 5.715 52 HG11 VAL 8 1HG1 VAL 8 2.692 10.687 4.606 53 HG12 VAL 8 2HG1 VAL 8 3.211 11.504 6.100 54 HG13 VAL 8 3HG1 VAL 8 4.287 10.327 5.310 55 HG21 VAL 8 3HG2 VAL 8 4.591 9.233 7.228 56 HG22 VAL 8 1HG2 VAL 8 3.308 9.602 8.405 57 HG23 VAL 8 2HG2 VAL 8 3.435 7.968 7.710 58 H CYS 9 H CYS 9 0.351 9.333 4.526 59 HA CYS 9 HA CYS 9 -0.469 12.105 4.105 60 HB2 CYS 9 1HB CYS 9 -0.326 11.700 1.754 61 HB3 CYS 9 2HB CYS 9 1.144 11.082 2.479 62 H GLN 10 H GLN 10 -1.494 8.691 4.282 63 HA GLN 10 HA GLN 10 -3.517 7.956 4.835 64 HB2 GLN 10 1HB GLN 10 -4.056 10.576 5.230 65 HB3 GLN 10 2HB GLN 10 -5.039 10.330 3.800 66 HG2 GLN 10 1HG GLN 10 -5.232 8.864 6.463 67 HG3 GLN 10 2HG GLN 10 -6.453 9.866 5.703 68 HE21 GLN 10 1HE2 GLN 10 -7.446 9.147 3.744 69 HE22 GLN 10 2HE2 GLN 10 -7.610 7.458 3.394 70 H TRP 11 H TRP 11 -2.593 6.745 2.866 71 HA TRP 11 HA TRP 11 -4.412 7.148 0.590 72 HB2 TRP 11 1HB TRP 11 -2.103 7.795 0.052 73 HB3 TRP 11 2HB TRP 11 -1.541 6.203 0.521 74 HD1 TRP 11 HD TRP 11 -3.709 7.862 -2.241 75 HE1 TRP 11 1HE TRP 11 -3.773 6.362 -4.411 76 HE3 TRP 11 3HE TRP 11 -1.208 3.920 -0.226 77 HZ2 TRP 11 2HZ TRP 11 -2.793 3.754 -5.028 78 HZ3 TRP 11 3HZ TRP 11 -0.802 1.936 -1.680 79 HH2 TRP 11 HH TRP 11 -1.550 1.813 -4.004 80 H ILE 12 H ILE 12 -5.751 5.419 0.244 81 HA ILE 12 HA ILE 12 -5.252 3.031 1.814 82 HB ILE 12 HB ILE 12 -7.628 3.854 0.141 83 HG12 ILE 12 1HG1 ILE 12 -6.911 4.294 3.026 84 HG13 ILE 12 2HG1 ILE 12 -7.568 5.425 1.860 85 HG21 ILE 12 1HG2 ILE 12 -7.676 1.764 2.295 86 HG22 ILE 12 2HG2 ILE 12 -8.778 2.008 0.919 87 HG23 ILE 12 3HG2 ILE 12 -7.149 1.344 0.648 88 HD11 ILE 12 3HD1 ILE 12 -9.277 4.697 3.528 89 HD12 ILE 12 1HD1 ILE 12 -9.736 4.243 1.869 90 HD13 ILE 12 2HD1 ILE 12 -9.076 3.016 2.978 91 H TYR 13 H TYR 13 -4.618 1.139 1.026 92 HA TYR 13 HA TYR 13 -3.866 1.051 -1.829 93 HB2 TYR 13 1HB TYR 13 -2.166 0.496 -0.168 94 HB3 TYR 13 2HB TYR 13 -3.221 -0.739 0.537 95 HD1 TYR 13 2HD TYR 13 -3.771 -2.802 -0.771 96 HD2 TYR 13 1HD TYR 13 -0.846 0.048 -2.104 97 HE1 TYR 13 2HE TYR 13 -2.834 -4.491 -2.326 98 HE2 TYR 13 1HE TYR 13 0.091 -1.641 -3.659 99 HH TYR 13 HH TYR 13 -1.090 -3.985 -4.854 100 H ASP 14 H ASP 14 -5.697 0.507 -3.066 101 HA ASP 14 HA ASP 14 -7.302 -1.664 -2.031 102 HB2 ASP 14 1HB ASP 14 -8.078 0.649 -3.181 103 HB3 ASP 14 2HB ASP 14 -7.870 -0.281 -4.652 104 HD2 ASP 14 HD ASP 14 -8.982 -2.779 -3.349 105 HA PRO 15 HA PRO 15 -4.727 -4.379 -4.550 106 HB2 PRO 15 2HB PRO 15 -7.059 -6.191 -3.879 107 HB3 PRO 15 3HB PRO 15 -5.291 -6.456 -3.728 108 HG2 PRO 15 2HG PRO 15 -6.847 -5.891 -1.548 109 HG3 PRO 15 3HG PRO 15 -5.161 -5.343 -1.818 110 HD2 PRO 15 2HD PRO 15 -7.800 -3.850 -2.156 111 HD3 PRO 15 3HD PRO 15 -6.244 -3.257 -1.497 112 H ALA 16 H ALA 16 -8.168 -3.507 -4.959 113 HA ALA 16 HA ALA 16 -8.386 -4.838 -7.484 114 HB1 ALA 16 1HB ALA 16 -10.520 -4.612 -6.794 115 HB2 ALA 16 2HB ALA 16 -10.077 -3.367 -5.601 116 HB3 ALA 16 3HB ALA 16 -10.401 -2.906 -7.290 117 H LYS 17 H LYS 17 -6.812 -2.019 -6.348 118 HA LYS 17 HA LYS 17 -6.687 -1.025 -9.101 119 HB2 LYS 17 1HB LYS 17 -6.671 0.917 -6.815 120 HB3 LYS 17 2HB LYS 17 -7.068 1.181 -8.501 121 HG2 LYS 17 1HG LYS 17 -9.240 0.345 -8.276 122 HG3 LYS 17 2HG LYS 17 -8.808 -0.739 -6.969 123 HD2 LYS 17 1HD LYS 17 -9.711 0.795 -5.555 124 HD3 LYS 17 2HD LYS 17 -8.295 1.780 -5.866 125 HE2 LYS 17 1HE LYS 17 -9.423 3.209 -7.306 126 HE3 LYS 17 2HE LYS 17 -10.464 1.944 -7.926 127 HZ1 LYS 17 2HZ LYS 17 -10.739 3.271 -5.283 128 HZ3 LYS 17 1HZ LYS 17 -11.651 2.006 -5.752 129 H GLY 18 H GLY 18 -5.226 -0.111 -5.908 130 HA2 GLY 18 1HA GLY 18 -3.078 0.065 -5.272 131 HA3 GLY 18 2HA GLY 18 -2.786 -1.381 -6.219 132 H GLU 19 H GLU 19 -0.728 -0.716 -6.998 133 HA GLU 19 HA GLU 19 -0.931 1.404 -8.983 134 HB2 GLU 19 1HB GLU 19 1.170 1.036 -6.832 135 HB3 GLU 19 2HB GLU 19 1.588 1.833 -8.336 136 HG2 GLU 19 1HG GLU 19 -0.773 2.674 -6.592 137 HG3 GLU 19 2HG GLU 19 0.821 3.391 -6.465 138 HE2 GLU 19 HE GLU 19 0.679 5.033 -9.477 139 HA PRO 20 HA PRO 20 0.440 -2.582 -10.860 140 HB2 PRO 20 2HB PRO 20 -1.135 -1.442 -13.133 141 HB3 PRO 20 3HB PRO 20 -1.264 -3.029 -12.306 142 HG2 PRO 20 2HG PRO 20 -2.966 -1.166 -12.095 143 HG3 PRO 20 3HG PRO 20 -3.004 -2.101 -10.564 144 HD2 PRO 20 2HD PRO 20 -1.803 0.573 -11.174 145 HD3 PRO 20 3HD PRO 20 -2.215 -0.145 -9.587 146 H MET 21 H MET 21 1.118 0.733 -11.142 147 HA MET 21 HA MET 21 2.910 0.164 -13.377 148 HB2 MET 21 1HB MET 21 1.690 2.841 -12.497 149 HB3 MET 21 2HB MET 21 2.765 2.633 -13.865 150 HG2 MET 21 1HG MET 21 1.035 2.018 -15.202 151 HG3 MET 21 2HG MET 21 0.582 0.732 -14.102 152 HE1 MET 21 3HE MET 21 -2.524 1.704 -12.644 153 HE2 MET 21 1HE MET 21 -2.325 1.219 -14.345 154 HE3 MET 21 2HE MET 21 -1.275 0.516 -13.091 155 H GLN 22 H GLN 22 3.294 -0.274 -10.418 156 HA GLN 22 HA GLN 22 5.694 1.339 -10.225 157 HB2 GLN 22 1HB GLN 22 3.870 2.407 -8.840 158 HB3 GLN 22 2HB GLN 22 3.769 0.935 -7.894 159 HG2 GLN 22 1HG GLN 22 5.685 1.402 -6.730 160 HG3 GLN 22 2HG GLN 22 6.543 1.930 -8.163 161 HE21 GLN 22 1HE2 GLN 22 4.162 2.852 -5.735 162 HE22 GLN 22 2HE2 GLN 22 4.395 4.567 -5.815 163 H ASP 23 H ASP 23 4.747 -1.568 -10.833 164 HA ASP 23 HA ASP 23 5.894 -3.452 -10.657 165 HB2 ASP 23 1HB ASP 23 7.699 -1.916 -9.391 166 HB3 ASP 23 2HB ASP 23 7.100 -2.757 -7.976 167 HD2 ASP 23 HD ASP 23 9.627 -2.833 -9.262 168 H VAL 24 H VAL 24 3.328 -2.441 -9.286 169 HA VAL 24 HA VAL 24 2.957 -4.780 -7.602 170 HB VAL 24 HB VAL 24 2.218 -2.001 -6.672 171 HG11 VAL 24 1HG1 VAL 24 2.370 -3.992 -4.600 172 HG12 VAL 24 2HG1 VAL 24 0.976 -3.016 -5.123 173 HG13 VAL 24 3HG1 VAL 24 1.314 -4.578 -5.907 174 HG21 VAL 24 3HG2 VAL 24 4.019 -2.523 -4.892 175 HG22 VAL 24 1HG2 VAL 24 4.630 -3.712 -6.068 176 HG23 VAL 24 2HG2 VAL 24 4.554 -1.987 -6.503 177 H ALA 25 H ALA 25 1.489 -5.766 -8.941 178 HA ALA 25 HA ALA 25 -0.551 -4.151 -10.206 179 HB1 ALA 25 1HB ALA 25 0.684 -6.795 -10.544 180 HB2 ALA 25 2HB ALA 25 -1.087 -6.835 -10.715 181 HB3 ALA 25 3HB ALA 25 -0.118 -5.750 -11.741 182 HA PRO 26 HA PRO 26 -3.963 -4.728 -7.564 183 HB2 PRO 26 2HB PRO 26 -5.359 -6.319 -9.714 184 HB3 PRO 26 3HB PRO 26 -5.848 -4.814 -8.868 185 HG2 PRO 26 2HG PRO 26 -4.921 -4.675 -11.460 186 HG3 PRO 26 3HG PRO 26 -4.702 -3.542 -10.087 187 HD2 PRO 26 2HD PRO 26 -2.802 -5.671 -11.204 188 HD3 PRO 26 3HD PRO 26 -2.446 -3.973 -10.764 189 H GLY 27 H GLY 27 -5.539 -6.561 -6.649 190 HA2 GLY 27 1HA GLY 27 -5.425 -8.423 -5.341 191 HA3 GLY 27 2HA GLY 27 -5.346 -9.195 -6.912 192 H THR 28 H THR 28 -3.047 -7.324 -4.791 193 HA THR 28 HA THR 28 -1.138 -9.538 -5.166 194 HB THR 28 HB THR 28 -0.748 -6.507 -5.202 195 HG1 THR 28 1HG THR 28 0.088 -7.163 -7.303 196 HG21 THR 28 3HG2 THR 28 1.575 -6.771 -5.031 197 HG22 THR 28 1HG2 THR 28 1.053 -8.048 -3.906 198 HG23 THR 28 2HG2 THR 28 1.520 -8.466 -5.572 199 HA PRO 29 HA PRO 29 -1.121 -9.818 -0.816 200 HB2 PRO 29 2HB PRO 29 1.003 -11.455 -0.489 201 HB3 PRO 29 3HB PRO 29 -0.448 -12.004 -1.388 202 HG2 PRO 29 2HG PRO 29 1.830 -10.811 -2.207 203 HG3 PRO 29 3HG PRO 29 1.495 -12.283 -3.177 204 HD2 PRO 29 2HD PRO 29 0.915 -10.027 -4.343 205 HD3 PRO 29 3HD PRO 29 -0.466 -11.154 -4.185 206 H TRP 30 H TRP 30 -0.511 -8.134 0.541 207 HA TRP 30 HA TRP 30 1.522 -6.364 -0.065 208 HB2 TRP 30 1HB TRP 30 -0.252 -5.766 1.417 209 HB3 TRP 30 2HB TRP 30 0.163 -7.042 2.543 210 HD1 TRP 30 HD TRP 30 1.896 -6.401 4.435 211 HE1 TRP 30 1HE TRP 30 3.363 -4.310 5.098 212 HE3 TRP 30 3HE TRP 30 1.061 -3.796 0.149 213 HZ2 TRP 30 2HZ TRP 30 3.995 -1.856 3.785 214 HZ3 TRP 30 3HZ TRP 30 2.140 -1.561 -0.081 215 HH2 TRP 30 HH TRP 30 3.564 -0.586 1.649 216 H SER 31 H SER 31 1.594 -9.618 1.195 217 HA SER 31 HA SER 31 4.035 -9.339 2.589 218 HB2 SER 31 1HB SER 31 2.056 -11.413 2.079 219 HB3 SER 31 2HB SER 31 3.664 -12.061 1.830 220 HG SER 31 HG SER 31 3.839 -12.171 3.952 221 H GLU 32 H GLU 32 3.052 -10.831 -0.581 222 HA GLU 32 HA GLU 32 5.646 -11.479 -1.326 223 HB2 GLU 32 1HB GLU 32 3.301 -12.224 -2.277 224 HB3 GLU 32 2HB GLU 32 3.473 -10.838 -3.335 225 HG2 GLU 32 1HG GLU 32 5.170 -11.803 -4.559 226 HG3 GLU 32 2HG GLU 32 5.904 -12.550 -3.154 227 HE2 GLU 32 HE GLU 32 5.506 -15.022 -4.668 228 H VAL 33 H VAL 33 3.788 -8.474 -1.446 229 HA VAL 33 HA VAL 33 4.830 -7.048 -3.445 230 HB VAL 33 HB VAL 33 4.153 -6.385 -0.607 231 HG11 VAL 33 1HG1 VAL 33 6.021 -4.880 -1.156 232 HG12 VAL 33 2HG1 VAL 33 5.173 -4.364 -2.633 233 HG13 VAL 33 3HG1 VAL 33 4.482 -3.994 -1.035 234 HG21 VAL 33 3HG2 VAL 33 2.415 -4.988 -1.819 235 HG22 VAL 33 1HG2 VAL 33 2.977 -5.749 -3.326 236 HG23 VAL 33 2HG2 VAL 33 2.280 -6.750 -2.030 237 HA PRO 34 HA PRO 34 9.204 -7.269 -3.289 238 HB2 PRO 34 2HB PRO 34 8.964 -4.557 -4.597 239 HB3 PRO 34 3HB PRO 34 9.822 -6.040 -5.128 240 HG2 PRO 34 2HG PRO 34 7.441 -5.337 -6.324 241 HG3 PRO 34 3HG PRO 34 8.106 -6.955 -5.928 242 HD2 PRO 34 2HD PRO 34 6.018 -5.270 -4.451 243 HD3 PRO 34 3HD PRO 34 5.969 -7.012 -4.857 244 H ASP 35 H ASP 35 11.022 -6.147 -2.204 245 HA ASP 35 HA ASP 35 10.009 -4.532 -0.054 246 HB2 ASP 35 1HB ASP 35 12.398 -4.763 0.797 247 HB3 ASP 35 2HB ASP 35 11.532 -6.275 0.606 248 HD2 ASP 35 HD ASP 35 14.977 -5.844 -0.619 249 H ASN 36 H ASN 36 9.773 -2.363 -0.722 250 HA ASN 36 HA ASN 36 11.835 -0.696 -0.908 251 HB2 ASN 36 1HB ASN 36 12.766 -1.551 -2.927 252 HB3 ASN 36 2HB ASN 36 11.195 -1.898 -3.621 253 HD21 ASN 36 1HD2 ASN 36 10.176 -0.433 -4.833 254 HD22 ASN 36 2HD2 ASN 36 10.747 1.164 -5.185 255 H PHE 37 H PHE 37 9.052 -1.346 -3.187 256 HA PHE 37 HA PHE 37 7.896 0.792 -3.796 257 HB2 PHE 37 1HB PHE 37 6.637 -1.308 -3.769 258 HB3 PHE 37 2HB PHE 37 6.717 -1.411 -2.021 259 HD1 PHE 37 2HD PHE 37 5.362 0.214 -0.646 260 HD2 PHE 37 1HD PHE 37 4.853 -0.190 -4.840 261 HE1 PHE 37 2HE PHE 37 3.112 1.313 -0.479 262 HE2 PHE 37 1HE PHE 37 2.603 0.909 -4.672 263 HZ PHE 37 HZ PHE 37 1.759 1.648 -2.494 264 H LEU 38 H LEU 38 7.642 2.843 -3.063 265 HA LEU 38 HA LEU 38 7.248 3.164 -0.168 266 HB2 LEU 38 1HB LEU 38 8.880 4.760 -2.127 267 HB3 LEU 38 2HB LEU 38 8.315 5.457 -0.621 268 HG LEU 38 HG LEU 38 10.368 4.770 0.058 269 HD11 LEU 38 1HD1 LEU 38 8.743 3.581 1.456 270 HD12 LEU 38 2HD1 LEU 38 8.835 2.174 0.369 271 HD13 LEU 38 3HD1 LEU 38 10.267 2.675 1.300 272 HD21 LEU 38 3HD2 LEU 38 11.438 3.959 -1.789 273 HD22 LEU 38 1HD2 LEU 38 11.306 2.463 -0.835 274 HD23 LEU 38 2HD2 LEU 38 10.158 2.778 -2.158 275 H CYS 39 H CYS 39 5.514 4.384 0.507 276 HA CYS 39 HA CYS 39 3.271 4.594 -0.792 277 HB2 CYS 39 1HB CYS 39 3.989 5.534 1.557 278 HB3 CYS 39 2HB CYS 39 4.090 7.067 0.714 279 HA PRO 40 HA PRO 40 4.098 7.120 -4.358 280 HB2 PRO 40 2HB PRO 40 1.587 6.967 -5.444 281 HB3 PRO 40 3HB PRO 40 2.705 5.565 -5.399 282 HG2 PRO 40 2HG PRO 40 0.268 6.040 -3.511 283 HG3 PRO 40 3HG PRO 40 1.060 4.736 -4.454 284 HD2 PRO 40 2HD PRO 40 1.502 5.461 -1.685 285 HD3 PRO 40 3HD PRO 40 2.442 4.286 -2.654 286 H GLU 41 H GLU 41 2.589 8.016 -1.515 287 HA GLU 41 HA GLU 41 2.057 10.636 -2.646 288 HB2 GLU 41 1HB GLU 41 0.160 8.912 -1.071 289 HB3 GLU 41 2HB GLU 41 0.141 10.636 -0.752 290 HG2 GLU 41 1HG GLU 41 -0.235 9.310 -3.479 291 HG3 GLU 41 2HG GLU 41 -1.492 10.066 -2.520 292 HE2 GLU 41 HE GLU 41 -1.225 11.154 -4.884 293 H CYS 42 H CYS 42 3.960 8.838 -0.709 294 HA CYS 42 HA CYS 42 5.011 10.975 0.671 295 HB2 CYS 42 1HB CYS 42 4.220 10.911 2.848 296 HB3 CYS 42 2HB CYS 42 2.750 10.681 1.923 297 H SER 43 H SER 43 5.821 8.759 -0.959 298 HA SER 43 HA SER 43 6.644 6.555 -0.565 299 HB2 SER 43 1HB SER 43 8.358 7.430 -1.780 300 HB3 SER 43 2HB SER 43 8.366 8.924 -0.863 301 HG SER 43 HG SER 43 9.601 7.855 0.804 302 H LEU 44 H LEU 44 5.804 5.738 1.483 303 HA LEU 44 HA LEU 44 7.582 6.269 3.758 304 HB2 LEU 44 1HB LEU 44 5.139 6.905 3.904 305 HB3 LEU 44 2HB LEU 44 4.766 5.193 3.845 306 HG LEU 44 HG LEU 44 6.742 5.624 5.884 307 HD11 LEU 44 1HD1 LEU 44 4.462 7.584 5.857 308 HD12 LEU 44 2HD1 LEU 44 5.135 6.988 7.394 309 HD13 LEU 44 3HD1 LEU 44 6.181 7.846 6.237 310 HD21 LEU 44 3HD2 LEU 44 4.420 4.972 7.181 311 HD22 LEU 44 1HD2 LEU 44 4.103 4.379 5.533 312 HD23 LEU 44 2HD2 LEU 44 5.539 3.814 6.422 313 H GLY 45 H GLY 45 8.326 4.473 5.025 314 HA2 GLY 45 1HA GLY 45 9.175 2.270 3.560 315 HA3 GLY 45 2HA GLY 45 9.143 2.400 5.308 316 H LYS 46 H LYS 46 8.694 -0.063 4.806 317 HA LYS 46 HA LYS 46 5.795 -0.405 4.489 318 HB2 LYS 46 1HB LYS 46 7.881 -2.557 4.106 319 HB3 LYS 46 2HB LYS 46 6.201 -2.572 3.611 320 HG2 LYS 46 1HG LYS 46 7.416 -0.235 2.446 321 HG3 LYS 46 2HG LYS 46 8.495 -1.584 2.153 322 HD2 LYS 46 1HD LYS 46 5.570 -2.089 1.694 323 HD3 LYS 46 2HD LYS 46 6.362 -1.016 0.558 324 HE2 LYS 46 1HE LYS 46 6.732 -3.103 -0.450 325 HE3 LYS 46 2HE LYS 46 8.221 -2.890 0.449 326 HZ1 LYS 46 2HZ LYS 46 7.705 -4.826 1.445 327 HZ3 LYS 46 1HZ LYS 46 6.196 -4.861 0.832 328 H ASP 47 H ASP 47 7.462 0.418 6.917 329 HA ASP 47 HA ASP 47 7.118 -1.933 8.555 330 HB2 ASP 47 1HB ASP 47 8.378 -0.732 10.237 331 HB3 ASP 47 2HB ASP 47 9.193 -0.492 8.704 332 HD2 ASP 47 HD ASP 47 9.426 2.497 8.690 333 H VAL 48 H VAL 48 6.208 1.591 8.417 334 HA VAL 48 HA VAL 48 4.438 1.511 10.583 335 HB VAL 48 HB VAL 48 4.803 3.332 8.212 336 HG11 VAL 48 1HG1 VAL 48 2.560 3.233 10.133 337 HG12 VAL 48 2HG1 VAL 48 3.332 4.828 9.964 338 HG13 VAL 48 3HG1 VAL 48 2.672 4.002 8.532 339 HG21 VAL 48 3HG2 VAL 48 5.263 4.773 10.508 340 HG22 VAL 48 1HG2 VAL 48 5.846 3.153 10.959 341 HG23 VAL 48 2HG2 VAL 48 6.513 3.972 9.526 342 H PHE 49 H PHE 49 3.905 1.250 7.005 343 HA PHE 49 HA PHE 49 1.281 1.164 6.775 344 HB2 PHE 49 1HB PHE 49 3.613 -0.348 5.654 345 HB3 PHE 49 2HB PHE 49 2.078 -1.150 5.385 346 HD1 PHE 49 1HD PHE 49 3.883 2.041 4.838 347 HD2 PHE 49 2HD PHE 49 0.618 -0.415 3.693 348 HE1 PHE 49 1HE PHE 49 3.447 3.538 2.870 349 HE2 PHE 49 2HE PHE 49 0.181 1.082 1.726 350 HZ PHE 49 HZ PHE 49 1.601 3.040 1.338 351 H GLU 50 H GLU 50 -0.451 -0.412 6.890 352 HA GLU 50 HA GLU 50 0.147 -2.753 8.477 353 HB2 GLU 50 1HB GLU 50 -1.576 -2.311 10.118 354 HB3 GLU 50 2HB GLU 50 -0.523 -0.912 10.065 355 HG2 GLU 50 1HG GLU 50 -2.220 0.449 9.406 356 HG3 GLU 50 2HG GLU 50 -2.667 -0.629 8.098 357 HE2 GLU 50 HE GLU 50 -4.692 -0.624 11.499 358 H GLU 51 H GLU 51 -2.759 -3.282 8.910 359 HA GLU 51 HA GLU 51 -4.391 -4.316 7.920 360 HB2 GLU 51 1HB GLU 51 -4.064 -1.875 6.452 361 HB3 GLU 51 2HB GLU 51 -4.458 -3.122 5.285 362 HG2 GLU 51 1HG GLU 51 -6.045 -2.949 7.860 363 HG3 GLU 51 2HG GLU 51 -6.394 -1.825 6.562 364 HE2 GLU 51 HE GLU 51 -8.333 -2.807 6.288 365 H LEU 52 H LEU 52 -4.873 -5.008 5.133 366 HA LEU 52 HA LEU 52 -2.463 -6.421 4.333 367 HB2 LEU 52 1HB LEU 52 -4.067 -8.480 4.046 368 HB3 LEU 52 2HB LEU 52 -3.176 -8.192 5.527 369 HG LEU 52 HG LEU 52 -5.950 -7.085 5.290 370 HD11 LEU 52 1HD1 LEU 52 -7.062 -9.048 5.522 371 HD12 LEU 52 2HD1 LEU 52 -5.678 -9.648 4.578 372 HD13 LEU 52 3HD1 LEU 52 -5.705 -9.855 6.345 373 HD21 LEU 52 3HD2 LEU 52 -4.222 -8.117 7.547 374 HD22 LEU 52 1HD2 LEU 52 -4.780 -6.452 7.254 375 HD23 LEU 52 2HD2 LEU 52 -5.944 -7.709 7.736 376 H ALA 53 H ALA 53 -3.218 -7.803 2.202 377 HA ALA 53 HA ALA 53 -5.207 -6.360 0.694 378 HB1 ALA 53 1HB ALA 53 -2.370 -5.701 0.547 379 HB2 ALA 53 2HB ALA 53 -2.979 -6.287 -1.020 380 HB3 ALA 53 3HB ALA 53 -3.760 -4.900 -0.223 381 H SER 54 H SER 54 -5.104 -7.326 -1.712 382 HA SER 54 HA SER 54 -5.016 -9.063 -3.052 383 HB2 SER 54 1HB SER 54 -2.822 -9.673 -1.791 384 HB3 SER 54 2HB SER 54 -3.797 -10.819 -0.892 385 HG SER 54 HG SER 54 -2.725 -11.099 -3.372 386 H GLU 55 H GLU 55 -5.783 -11.685 -2.853 387 HA GLU 55 HA GLU 55 -7.283 -13.126 -2.106 388 HB2 GLU 55 1HB GLU 55 -7.028 -11.825 0.197 389 HB3 GLU 55 2HB GLU 55 -8.596 -11.163 -0.220 390 HG2 GLU 55 1HG GLU 55 -8.403 -14.102 -0.610 391 HG3 GLU 55 2HG GLU 55 -8.172 -13.599 1.052 392 HE2 GLU 55 HE GLU 55 -10.532 -14.317 -1.129 393 H ALA 56 H ALA 56 -8.569 -9.725 -2.139 394 HA ALA 56 HA ALA 56 -10.288 -8.810 -3.194 395 HB1 ALA 56 1HB ALA 56 -10.625 -9.485 -5.548 396 HB2 ALA 56 2HB ALA 56 -8.894 -9.369 -5.150 397 HB3 ALA 56 3HB ALA 56 -9.676 -10.964 -5.260 398 H LYS 57 H LYS 57 -12.448 -9.708 -4.687 399 HA LYS 57 HA LYS 57 -13.556 -12.002 -3.316 400 HB2 LYS 57 1HB LYS 57 -13.947 -9.569 -2.131 401 HB3 LYS 57 2HB LYS 57 -15.340 -9.648 -3.189 402 HG2 LYS 57 1HG LYS 57 -16.205 -10.791 -1.363 403 HG3 LYS 57 2HG LYS 57 -15.519 -12.147 -2.237 404 HD2 LYS 57 1HD LYS 57 -13.576 -12.225 -0.830 405 HD3 LYS 57 2HD LYS 57 -13.869 -10.620 -0.189 406 HE2 LYS 57 1HE LYS 57 -15.434 -11.360 1.341 407 HE3 LYS 57 2HE LYS 57 -16.092 -12.565 0.252 408 HZ1 LYS 57 2HZ LYS 57 -14.592 -14.116 0.967 409 HZ3 LYS 57 1HZ LYS 57 -14.542 -13.201 2.313 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -12.201 -6.081 -2.465 2 HA2 GLY 1 1HA GLY 1 -11.182 -7.342 -0.881 3 HA3 GLY 1 2HA GLY 1 -9.756 -6.980 -1.832 4 HA PRO 2 HA PRO 2 -8.916 -5.418 2.416 5 HB2 PRO 2 2HB PRO 2 -6.269 -6.679 1.897 6 HB3 PRO 2 3HB PRO 2 -7.450 -6.958 3.218 7 HG2 PRO 2 2HG PRO 2 -7.149 -9.001 1.166 8 HG3 PRO 2 3HG PRO 2 -8.656 -8.557 2.031 9 HD2 PRO 2 2HD PRO 2 -7.524 -7.419 -0.597 10 HD3 PRO 2 3HD PRO 2 -9.118 -8.190 -0.333 11 H ARG 3 H ARG 3 -8.012 -3.365 2.749 12 HA ARG 3 HA ARG 3 -5.940 -2.595 0.883 13 HB2 ARG 3 1HB ARG 3 -7.778 -0.366 1.492 14 HB3 ARG 3 2HB ARG 3 -7.124 -0.869 -0.054 15 HG2 ARG 3 1HG ARG 3 -9.436 -1.272 -0.315 16 HG3 ARG 3 2HG ARG 3 -8.813 -2.860 0.089 17 HD2 ARG 3 1HD ARG 3 -10.059 -2.944 1.991 18 HD3 ARG 3 2HD ARG 3 -9.431 -1.403 2.540 19 HE ARG 3 HE ARG 3 -11.363 -1.012 0.420 20 HH11 ARG 3 2HH2 ARG 3 -11.122 -1.760 3.875 21 HH12 ARG 3 1HH2 ARG 3 -12.689 -1.124 4.248 22 HH22 ARG 3 1HH ARG 3 -14.029 -0.196 2.491 23 H MET 4 H MET 4 -4.314 -1.335 1.858 24 HA MET 4 HA MET 4 -4.535 -1.081 4.696 25 HB2 MET 4 1HB MET 4 -2.268 -0.136 2.865 26 HB3 MET 4 2HB MET 4 -2.143 -0.540 4.565 27 HG2 MET 4 1HG MET 4 -3.248 -2.852 3.305 28 HG3 MET 4 2HG MET 4 -1.963 -2.305 2.247 29 HE1 MET 4 3HE MET 4 0.106 -4.933 4.069 30 HE2 MET 4 1HE MET 4 -1.461 -4.968 3.227 31 HE3 MET 4 2HE MET 4 -0.108 -4.030 2.550 32 H GLN 5 H GLN 5 -3.356 1.107 5.583 33 HA GLN 5 HA GLN 5 -4.177 3.391 4.063 34 HB2 GLN 5 1HB GLN 5 -5.647 2.450 6.506 35 HB3 GLN 5 2HB GLN 5 -5.360 4.173 6.369 36 HG2 GLN 5 1HG GLN 5 -6.955 4.396 4.767 37 HG3 GLN 5 2HG GLN 5 -6.255 3.112 3.801 38 HE21 GLN 5 1HE2 GLN 5 -6.560 0.856 4.794 39 HE22 GLN 5 2HE2 GLN 5 -8.156 0.460 5.338 40 H CYS 6 H CYS 6 -2.010 4.078 4.058 41 HA CYS 6 HA CYS 6 -0.271 3.909 6.168 42 HB2 CYS 6 1HB CYS 6 1.099 5.499 5.007 43 HB3 CYS 6 2HB CYS 6 0.323 4.481 3.810 44 H SER 7 H SER 7 -0.116 4.985 8.121 45 HA SER 7 HA SER 7 -2.127 6.950 8.656 46 HB2 SER 7 1HB SER 7 -1.474 6.713 10.977 47 HB3 SER 7 2HB SER 7 -1.542 5.110 10.272 48 HG SER 7 HG SER 7 0.882 5.476 9.867 49 H VAL 8 H VAL 8 -0.242 7.818 6.695 50 HA VAL 8 HA VAL 8 1.114 9.933 8.213 51 HB VAL 8 HB VAL 8 2.171 8.390 5.836 52 HG11 VAL 8 1HG1 VAL 8 2.844 10.669 5.570 53 HG12 VAL 8 2HG1 VAL 8 3.265 10.813 7.294 54 HG13 VAL 8 3HG1 VAL 8 4.242 9.781 6.222 55 HG21 VAL 8 3HG2 VAL 8 3.969 7.704 7.393 56 HG22 VAL 8 1HG2 VAL 8 3.115 8.527 8.720 57 HG23 VAL 8 2HG2 VAL 8 2.367 7.129 7.911 58 H CYS 9 H CYS 9 0.156 8.903 4.856 59 HA CYS 9 HA CYS 9 -0.933 11.606 4.545 60 HB2 CYS 9 1HB CYS 9 -0.057 11.844 2.427 61 HB3 CYS 9 2HB CYS 9 1.236 10.965 3.218 62 H GLN 10 H GLN 10 -1.951 8.783 5.413 63 HA GLN 10 HA GLN 10 -3.516 7.319 4.879 64 HB2 GLN 10 1HB GLN 10 -4.992 8.819 5.877 65 HB3 GLN 10 2HB GLN 10 -4.725 10.063 4.672 66 HG2 GLN 10 1HG GLN 10 -6.434 9.312 3.362 67 HG3 GLN 10 2HG GLN 10 -5.900 7.647 3.475 68 HE21 GLN 10 1HE2 GLN 10 -7.359 6.364 4.279 69 HE22 GLN 10 2HE2 GLN 10 -8.491 6.710 5.544 70 H TRP 11 H TRP 11 -2.942 6.045 3.113 71 HA TRP 11 HA TRP 11 -4.039 6.942 0.547 72 HB2 TRP 11 1HB TRP 11 -1.570 7.333 0.648 73 HB3 TRP 11 2HB TRP 11 -1.347 5.609 0.869 74 HD1 TRP 11 HD TRP 11 -2.896 7.992 -1.812 75 HE1 TRP 11 1HE TRP 11 -2.620 6.968 -4.229 76 HE3 TRP 11 3HE TRP 11 -0.832 3.602 -0.288 77 HZ2 TRP 11 2HZ TRP 11 -1.593 4.493 -5.210 78 HZ3 TRP 11 3HZ TRP 11 -0.221 1.936 -2.039 79 HH2 TRP 11 HH TRP 11 -0.571 2.325 -4.427 80 H ILE 12 H ILE 12 -5.760 5.542 0.364 81 HA ILE 12 HA ILE 12 -5.662 2.937 1.505 82 HB ILE 12 HB ILE 12 -7.644 4.244 -0.361 83 HG12 ILE 12 1HG1 ILE 12 -7.212 4.338 2.575 84 HG13 ILE 12 2HG1 ILE 12 -7.880 5.543 1.491 85 HG21 ILE 12 1HG2 ILE 12 -8.102 1.816 1.378 86 HG22 ILE 12 2HG2 ILE 12 -9.161 2.495 0.119 87 HG23 ILE 12 3HG2 ILE 12 -7.629 1.711 -0.335 88 HD11 ILE 12 3HD1 ILE 12 -9.720 4.796 2.831 89 HD12 ILE 12 1HD1 ILE 12 -9.936 4.000 1.254 90 HD13 ILE 12 2HD1 ILE 12 -9.270 3.085 2.628 91 H TYR 13 H TYR 13 -4.819 1.177 0.690 92 HA TYR 13 HA TYR 13 -4.026 1.181 -2.170 93 HB2 TYR 13 1HB TYR 13 -2.216 0.791 -0.633 94 HB3 TYR 13 2HB TYR 13 -3.149 -0.435 0.242 95 HD1 TYR 13 2HD TYR 13 -3.574 -2.653 -0.777 96 HD2 TYR 13 1HD TYR 13 -1.061 0.268 -2.675 97 HE1 TYR 13 2HE TYR 13 -2.629 -4.418 -2.240 98 HE2 TYR 13 1HE TYR 13 -0.115 -1.497 -4.139 99 HH TYR 13 HH TYR 13 -0.760 -3.786 -5.013 100 H ASP 14 H ASP 14 -6.016 0.582 -3.209 101 HA ASP 14 HA ASP 14 -7.341 -1.739 -2.172 102 HB2 ASP 14 1HB ASP 14 -8.136 -0.684 -4.838 103 HB3 ASP 14 2HB ASP 14 -9.136 -1.062 -3.449 104 HD2 ASP 14 HD ASP 14 -9.446 1.958 -2.295 105 HA PRO 15 HA PRO 15 -4.633 -4.355 -4.642 106 HB2 PRO 15 2HB PRO 15 -6.821 -6.316 -3.935 107 HB3 PRO 15 3HB PRO 15 -5.042 -6.425 -3.731 108 HG2 PRO 15 2HG PRO 15 -6.695 -5.933 -1.615 109 HG3 PRO 15 3HG PRO 15 -5.042 -5.281 -1.861 110 HD2 PRO 15 2HD PRO 15 -7.764 -3.972 -2.291 111 HD3 PRO 15 3HD PRO 15 -6.267 -3.265 -1.611 112 H ALA 16 H ALA 16 -8.020 -3.497 -5.129 113 HA ALA 16 HA ALA 16 -8.176 -4.975 -7.610 114 HB1 ALA 16 1HB ALA 16 -10.002 -4.066 -5.699 115 HB2 ALA 16 2HB ALA 16 -10.263 -2.987 -7.091 116 HB3 ALA 16 3HB ALA 16 -10.397 -4.750 -7.294 117 H LYS 17 H LYS 17 -6.683 -2.146 -6.553 118 HA LYS 17 HA LYS 17 -6.735 -1.100 -9.283 119 HB2 LYS 17 1HB LYS 17 -6.693 0.899 -7.079 120 HB3 LYS 17 2HB LYS 17 -7.343 1.021 -8.701 121 HG2 LYS 17 1HG LYS 17 -9.361 -0.049 -8.130 122 HG3 LYS 17 2HG LYS 17 -8.649 -0.910 -6.779 123 HD2 LYS 17 1HD LYS 17 -9.627 0.692 -5.480 124 HD3 LYS 17 2HD LYS 17 -8.289 1.710 -5.975 125 HE2 LYS 17 1HE LYS 17 -10.396 1.682 -8.021 126 HE3 LYS 17 2HE LYS 17 -11.039 2.170 -6.465 127 HZ1 LYS 17 2HZ LYS 17 -9.014 3.727 -6.387 128 HZ3 LYS 17 1HZ LYS 17 -10.213 4.140 -7.409 129 H GLY 18 H GLY 18 -5.234 -0.476 -6.027 130 HA2 GLY 18 1HA GLY 18 -3.080 -0.006 -5.508 131 HA3 GLY 18 2HA GLY 18 -2.770 -1.492 -6.382 132 H GLU 19 H GLU 19 -0.946 -1.115 -7.594 133 HA GLU 19 HA GLU 19 -1.184 0.937 -9.595 134 HB2 GLU 19 1HB GLU 19 1.016 0.887 -7.499 135 HB3 GLU 19 2HB GLU 19 1.262 1.644 -9.060 136 HG2 GLU 19 1HG GLU 19 -1.054 2.341 -7.196 137 HG3 GLU 19 2HG GLU 19 0.462 3.219 -7.224 138 HE2 GLU 19 HE GLU 19 -2.442 2.694 -9.070 139 HA PRO 20 HA PRO 20 0.464 -3.056 -11.143 140 HB2 PRO 20 2HB PRO 20 -1.215 -2.349 -13.491 141 HB3 PRO 20 3HB PRO 20 -1.274 -3.781 -12.413 142 HG2 PRO 20 2HG PRO 20 -3.258 -1.846 -12.363 143 HG3 PRO 20 3HG PRO 20 -2.816 -2.817 -10.920 144 HD2 PRO 20 2HD PRO 20 -1.907 -0.028 -11.775 145 HD3 PRO 20 3HD PRO 20 -2.361 -0.615 -10.146 146 H MET 21 H MET 21 1.115 0.152 -11.568 147 HA MET 21 HA MET 21 2.678 -0.413 -13.969 148 HB2 MET 21 1HB MET 21 1.466 2.215 -12.948 149 HB3 MET 21 2HB MET 21 2.564 2.130 -14.310 150 HG2 MET 21 1HG MET 21 0.594 1.960 -15.505 151 HG3 MET 21 2HG MET 21 0.775 0.258 -15.128 152 HE1 MET 21 3HE MET 21 -2.353 0.090 -15.226 153 HE2 MET 21 1HE MET 21 -0.923 -0.871 -14.781 154 HE3 MET 21 2HE MET 21 -2.255 -0.667 -13.618 155 H GLN 22 H GLN 22 3.292 -0.848 -11.025 156 HA GLN 22 HA GLN 22 5.775 0.631 -11.082 157 HB2 GLN 22 1HB GLN 22 4.134 1.907 -9.639 158 HB3 GLN 22 2HB GLN 22 4.018 0.506 -8.592 159 HG2 GLN 22 1HG GLN 22 6.107 0.842 -7.670 160 HG3 GLN 22 2HG GLN 22 6.805 1.394 -9.179 161 HE21 GLN 22 1HE2 GLN 22 5.013 2.259 -6.326 162 HE22 GLN 22 2HE2 GLN 22 5.149 3.981 -6.451 163 H ASP 23 H ASP 23 4.534 -2.237 -11.385 164 HA ASP 23 HA ASP 23 5.563 -4.188 -11.182 165 HB2 ASP 23 1HB ASP 23 7.608 -2.777 -10.254 166 HB3 ASP 23 2HB ASP 23 7.056 -3.328 -8.685 167 HD2 ASP 23 HD ASP 23 8.999 -4.680 -8.451 168 H VAL 24 H VAL 24 3.187 -2.938 -9.721 169 HA VAL 24 HA VAL 24 2.878 -5.063 -7.746 170 HB VAL 24 HB VAL 24 2.145 -2.184 -7.194 171 HG11 VAL 24 1HG1 VAL 24 2.452 -4.258 -5.064 172 HG12 VAL 24 2HG1 VAL 24 1.347 -2.866 -5.160 173 HG13 VAL 24 3HG1 VAL 24 1.009 -4.339 -6.102 174 HG21 VAL 24 3HG2 VAL 24 4.588 -3.767 -6.346 175 HG22 VAL 24 1HG2 VAL 24 4.532 -2.225 -7.233 176 HG23 VAL 24 2HG2 VAL 24 4.043 -2.285 -5.523 177 H ALA 25 H ALA 25 1.523 -6.149 -9.239 178 HA ALA 25 HA ALA 25 -0.630 -4.748 -10.488 179 HB1 ALA 25 1HB ALA 25 -0.208 -6.516 -11.831 180 HB2 ALA 25 2HB ALA 25 0.617 -7.410 -10.532 181 HB3 ALA 25 3HB ALA 25 -1.156 -7.471 -10.666 182 HA PRO 26 HA PRO 26 -3.996 -5.087 -7.743 183 HB2 PRO 26 2HB PRO 26 -5.357 -7.038 -9.599 184 HB3 PRO 26 3HB PRO 26 -5.897 -5.445 -8.977 185 HG2 PRO 26 2HG PRO 26 -5.008 -5.616 -11.602 186 HG3 PRO 26 3HG PRO 26 -4.820 -4.342 -10.354 187 HD2 PRO 26 2HD PRO 26 -2.859 -6.541 -11.217 188 HD3 PRO 26 3HD PRO 26 -2.560 -4.783 -11.063 189 H GLY 27 H GLY 27 -5.285 -6.673 -6.322 190 HA2 GLY 27 1HA GLY 27 -5.024 -8.318 -4.773 191 HA3 GLY 27 2HA GLY 27 -5.166 -9.330 -6.197 192 H THR 28 H THR 28 -2.609 -7.255 -4.637 193 HA THR 28 HA THR 28 -0.746 -9.499 -5.060 194 HB THR 28 HB THR 28 -0.397 -6.468 -5.240 195 HG1 THR 28 1HG THR 28 0.040 -7.115 -7.392 196 HG21 THR 28 3HG2 THR 28 1.988 -7.755 -6.029 197 HG22 THR 28 1HG2 THR 28 1.773 -6.766 -4.565 198 HG23 THR 28 2HG2 THR 28 1.567 -8.532 -4.483 199 HA PRO 29 HA PRO 29 -1.069 -9.927 -0.671 200 HB2 PRO 29 2HB PRO 29 1.443 -11.488 -1.403 201 HB3 PRO 29 3HB PRO 29 0.097 -11.903 -0.293 202 HG2 PRO 29 2HG PRO 29 -0.170 -13.034 -2.932 203 HG3 PRO 29 3HG PRO 29 -1.209 -12.144 -1.773 204 HD2 PRO 29 2HD PRO 29 0.406 -10.995 -4.139 205 HD3 PRO 29 3HD PRO 29 -1.377 -11.047 -3.987 206 H TRP 30 H TRP 30 -0.377 -8.261 0.668 207 HA TRP 30 HA TRP 30 1.529 -6.442 0.091 208 HB2 TRP 30 1HB TRP 30 -0.046 -6.214 1.915 209 HB3 TRP 30 2HB TRP 30 0.732 -7.509 2.804 210 HD1 TRP 30 HD TRP 30 2.506 -6.693 4.544 211 HE1 TRP 30 1HE TRP 30 3.918 -4.523 5.056 212 HE3 TRP 30 3HE TRP 30 1.063 -4.139 0.391 213 HZ2 TRP 30 2HZ TRP 30 4.264 -2.038 3.698 214 HZ3 TRP 30 3HZ TRP 30 1.984 -1.846 0.059 215 HH2 TRP 30 HH TRP 30 3.532 -0.793 1.630 216 H SER 31 H SER 31 1.915 -9.784 1.223 217 HA SER 31 HA SER 31 4.549 -9.515 2.107 218 HB2 SER 31 1HB SER 31 3.637 -11.478 2.897 219 HB3 SER 31 2HB SER 31 2.673 -11.742 1.457 220 HG SER 31 HG SER 31 5.360 -12.501 2.008 221 H GLU 32 H GLU 32 3.064 -10.559 -1.031 222 HA GLU 32 HA GLU 32 5.480 -11.152 -2.264 223 HB2 GLU 32 1HB GLU 32 2.981 -11.670 -2.935 224 HB3 GLU 32 2HB GLU 32 3.066 -10.141 -3.787 225 HG2 GLU 32 1HG GLU 32 4.497 -10.957 -5.396 226 HG3 GLU 32 2HG GLU 32 5.406 -11.923 -4.250 227 HE2 GLU 32 HE GLU 32 3.564 -14.780 -4.908 228 H VAL 33 H VAL 33 3.626 -8.120 -1.856 229 HA VAL 33 HA VAL 33 4.711 -6.525 -3.761 230 HB VAL 33 HB VAL 33 4.052 -5.924 -0.874 231 HG11 VAL 33 1HG1 VAL 33 3.733 -3.552 -1.769 232 HG12 VAL 33 2HG1 VAL 33 5.410 -4.109 -1.553 233 HG13 VAL 33 3HG1 VAL 33 4.687 -4.069 -3.180 234 HG21 VAL 33 3HG2 VAL 33 2.379 -5.302 -3.312 235 HG22 VAL 33 1HG2 VAL 33 2.274 -6.869 -2.474 236 HG23 VAL 33 2HG2 VAL 33 1.886 -5.366 -1.603 237 HA PRO 34 HA PRO 34 9.072 -6.858 -3.154 238 HB2 PRO 34 2HB PRO 34 8.983 -4.345 -4.821 239 HB3 PRO 34 3HB PRO 34 9.862 -5.888 -5.076 240 HG2 PRO 34 2HG PRO 34 7.606 -5.348 -6.581 241 HG3 PRO 34 3HG PRO 34 8.215 -6.893 -5.903 242 HD2 PRO 34 2HD PRO 34 6.041 -5.007 -4.847 243 HD3 PRO 34 3HD PRO 34 5.973 -6.784 -5.055 244 H ASP 35 H ASP 35 10.800 -5.530 -2.111 245 HA ASP 35 HA ASP 35 9.603 -3.784 -0.192 246 HB2 ASP 35 1HB ASP 35 11.877 -3.751 0.810 247 HB3 ASP 35 2HB ASP 35 11.329 -5.389 0.517 248 HD2 ASP 35 HD ASP 35 13.720 -3.428 -1.833 249 H ASN 36 H ASN 36 10.165 -3.249 -3.291 250 HA ASN 36 HA ASN 36 11.803 -0.878 -2.956 251 HB2 ASN 36 1HB ASN 36 11.297 -2.800 -5.143 252 HB3 ASN 36 2HB ASN 36 11.118 -1.144 -5.690 253 HD21 ASN 36 1HD2 ASN 36 12.843 0.325 -5.470 254 HD22 ASN 36 2HD2 ASN 36 14.489 -0.202 -5.351 255 H PHE 37 H PHE 37 8.923 -1.222 -2.049 256 HA PHE 37 HA PHE 37 7.669 0.737 -3.842 257 HB2 PHE 37 1HB PHE 37 6.573 -1.536 -3.665 258 HB3 PHE 37 2HB PHE 37 6.535 -1.384 -1.920 259 HD1 PHE 37 2HD PHE 37 4.999 0.236 -0.852 260 HD2 PHE 37 1HD PHE 37 4.939 -0.449 -5.039 261 HE1 PHE 37 2HE PHE 37 2.736 1.312 -0.995 262 HE2 PHE 37 1HE PHE 37 2.676 0.627 -5.183 263 HZ PHE 37 HZ PHE 37 1.601 1.494 -3.159 264 H LEU 38 H LEU 38 7.059 2.696 -2.993 265 HA LEU 38 HA LEU 38 6.848 2.911 -0.097 266 HB2 LEU 38 1HB LEU 38 8.785 4.445 -1.818 267 HB3 LEU 38 2HB LEU 38 8.211 5.066 -0.284 268 HG LEU 38 HG LEU 38 10.328 4.056 0.097 269 HD11 LEU 38 1HD1 LEU 38 9.848 2.722 1.912 270 HD12 LEU 38 2HD1 LEU 38 8.290 3.545 1.657 271 HD13 LEU 38 3HD1 LEU 38 8.519 1.876 1.083 272 HD21 LEU 38 3HD2 LEU 38 9.842 1.288 -0.546 273 HD22 LEU 38 1HD2 LEU 38 9.604 2.309 -1.985 274 HD23 LEU 38 2HD2 LEU 38 11.143 2.372 -1.093 275 H CYS 39 H CYS 39 5.292 4.389 0.563 276 HA CYS 39 HA CYS 39 3.209 4.944 -1.013 277 HB2 CYS 39 1HB CYS 39 3.643 5.379 1.547 278 HB3 CYS 39 2HB CYS 39 4.008 7.011 1.022 279 HA PRO 40 HA PRO 40 4.855 7.786 -4.012 280 HB2 PRO 40 2HB PRO 40 2.482 8.284 -5.299 281 HB3 PRO 40 3HB PRO 40 3.349 6.719 -5.433 282 HG2 PRO 40 2HG PRO 40 1.232 7.511 -3.743 283 HG3 PRO 40 3HG PRO 40 1.156 5.958 -4.638 284 HD2 PRO 40 2HD PRO 40 1.803 5.925 -2.044 285 HD3 PRO 40 3HD PRO 40 2.822 4.984 -3.176 286 H GLU 41 H GLU 41 3.053 8.449 -1.225 287 HA GLU 41 HA GLU 41 3.072 11.278 -1.929 288 HB2 GLU 41 1HB GLU 41 0.885 9.613 -0.768 289 HB3 GLU 41 2HB GLU 41 1.127 11.169 0.001 290 HG2 GLU 41 1HG GLU 41 0.642 10.683 -2.975 291 HG3 GLU 41 2HG GLU 41 -0.497 11.382 -1.842 292 HE2 GLU 41 HE GLU 41 1.940 13.527 -3.834 293 H CYS 42 H CYS 42 3.565 8.684 0.464 294 HA CYS 42 HA CYS 42 5.174 10.565 1.997 295 HB2 CYS 42 1HB CYS 42 4.247 10.008 4.083 296 HB3 CYS 42 2HB CYS 42 2.860 10.283 3.048 297 H SER 43 H SER 43 6.093 8.780 0.029 298 HA SER 43 HA SER 43 6.923 6.662 -0.251 299 HB2 SER 43 1HB SER 43 8.695 8.491 1.353 300 HB3 SER 43 2HB SER 43 9.270 6.862 1.054 301 HG SER 43 HG SER 43 10.003 7.964 -0.711 302 H LEU 44 H LEU 44 8.321 7.144 3.024 303 HA LEU 44 HA LEU 44 7.851 6.107 4.971 304 HB2 LEU 44 1HB LEU 44 5.518 5.606 3.707 305 HB3 LEU 44 2HB LEU 44 6.143 3.974 3.834 306 HG LEU 44 HG LEU 44 6.417 4.329 6.303 307 HD11 LEU 44 1HD1 LEU 44 6.546 6.776 6.297 308 HD12 LEU 44 2HD1 LEU 44 4.844 6.868 5.784 309 HD13 LEU 44 3HD1 LEU 44 5.258 6.189 7.376 310 HD21 LEU 44 3HD2 LEU 44 4.533 3.155 6.269 311 HD22 LEU 44 1HD2 LEU 44 3.644 4.694 6.365 312 HD23 LEU 44 2HD2 LEU 44 3.983 3.960 4.780 313 H GLY 45 H GLY 45 7.757 3.294 5.446 314 HA2 GLY 45 1HA GLY 45 9.926 2.187 3.814 315 HA3 GLY 45 2HA GLY 45 10.218 2.421 5.525 316 H LYS 46 H LYS 46 7.140 1.472 3.873 317 HA LYS 46 HA LYS 46 5.708 -0.148 4.467 318 HB2 LYS 46 1HB LYS 46 8.236 -1.632 3.716 319 HB3 LYS 46 2HB LYS 46 6.703 -2.443 3.969 320 HG2 LYS 46 1HG LYS 46 5.984 -0.324 2.300 321 HG3 LYS 46 2HG LYS 46 7.581 -0.739 1.709 322 HD2 LYS 46 1HD LYS 46 5.741 -3.043 2.261 323 HD3 LYS 46 2HD LYS 46 5.306 -2.019 0.907 324 HE2 LYS 46 1HE LYS 46 6.879 -3.038 -0.367 325 HE3 LYS 46 2HE LYS 46 8.131 -2.454 0.711 326 HZ1 LYS 46 2HZ LYS 46 6.857 -4.636 1.946 327 HZ3 LYS 46 1HZ LYS 46 8.401 -4.548 1.434 328 H ASP 47 H ASP 47 6.976 1.111 6.769 329 HA ASP 47 HA ASP 47 6.887 -1.199 8.545 330 HB2 ASP 47 1HB ASP 47 8.711 1.231 8.574 331 HB3 ASP 47 2HB ASP 47 8.375 0.365 10.060 332 HD2 ASP 47 HD ASP 47 11.389 -0.310 8.712 333 H VAL 48 H VAL 48 4.625 0.382 7.706 334 HA VAL 48 HA VAL 48 3.811 1.431 10.261 335 HB VAL 48 HB VAL 48 3.432 3.270 7.937 336 HG11 VAL 48 1HG1 VAL 48 3.234 4.952 9.630 337 HG12 VAL 48 2HG1 VAL 48 2.268 3.553 10.156 338 HG13 VAL 48 3HG1 VAL 48 3.865 3.855 10.881 339 HG21 VAL 48 3HG2 VAL 48 5.504 4.444 8.389 340 HG22 VAL 48 1HG2 VAL 48 5.921 3.289 9.677 341 HG23 VAL 48 2HG2 VAL 48 5.865 2.750 7.981 342 H PHE 49 H PHE 49 2.955 1.345 6.726 343 HA PHE 49 HA PHE 49 0.391 1.373 6.595 344 HB2 PHE 49 1HB PHE 49 2.460 -0.580 5.571 345 HB3 PHE 49 2HB PHE 49 0.791 -1.040 5.299 346 HD1 PHE 49 1HD PHE 49 3.183 1.754 4.746 347 HD2 PHE 49 2HD PHE 49 -0.385 -0.166 3.482 348 HE1 PHE 49 1HE PHE 49 3.106 3.231 2.719 349 HE2 PHE 49 2HE PHE 49 -0.461 1.312 1.454 350 HZ PHE 49 HZ PHE 49 1.285 2.993 1.097 351 H GLU 50 H GLU 50 -1.483 0.389 7.315 352 HA GLU 50 HA GLU 50 -1.472 -0.982 9.642 353 HB2 GLU 50 1HB GLU 50 -3.491 -0.842 7.382 354 HB3 GLU 50 2HB GLU 50 -3.833 -1.776 8.825 355 HG2 GLU 50 1HG GLU 50 -3.036 1.173 8.846 356 HG3 GLU 50 2HG GLU 50 -4.691 0.603 8.918 357 HE2 GLU 50 HE GLU 50 -2.284 1.416 11.346 358 H GLU 51 H GLU 51 -3.104 -2.837 7.107 359 HA GLU 51 HA GLU 51 -1.376 -4.652 6.308 360 HB2 GLU 51 1HB GLU 51 -0.489 -5.326 8.370 361 HB3 GLU 51 2HB GLU 51 -2.017 -5.157 9.210 362 HG2 GLU 51 1HG GLU 51 -2.823 -7.231 8.472 363 HG3 GLU 51 2HG GLU 51 -1.858 -7.211 7.010 364 HE2 GLU 51 HE GLU 51 0.241 -8.136 7.208 365 H LEU 52 H LEU 52 -3.127 -4.424 4.740 366 HA LEU 52 HA LEU 52 -5.015 -6.527 4.956 367 HB2 LEU 52 1HB LEU 52 -5.846 -4.249 6.217 368 HB3 LEU 52 2HB LEU 52 -6.493 -4.009 4.606 369 HG LEU 52 HG LEU 52 -7.913 -5.846 4.739 370 HD11 LEU 52 1HD1 LEU 52 -7.662 -7.511 6.727 371 HD12 LEU 52 2HD1 LEU 52 -6.607 -7.667 5.302 372 HD13 LEU 52 3HD1 LEU 52 -5.989 -6.905 6.788 373 HD21 LEU 52 3HD2 LEU 52 -9.178 -4.652 6.130 374 HD22 LEU 52 1HD2 LEU 52 -8.557 -5.698 7.430 375 HD23 LEU 52 2HD2 LEU 52 -7.775 -4.134 7.096 376 H ALA 53 H ALA 53 -3.871 -7.145 3.047 377 HA ALA 53 HA ALA 53 -4.822 -5.694 0.709 378 HB1 ALA 53 1HB ALA 53 -1.976 -5.977 1.593 379 HB2 ALA 53 2HB ALA 53 -2.321 -6.195 -0.140 380 HB3 ALA 53 3HB ALA 53 -2.762 -4.672 0.671 381 H SER 54 H SER 54 -4.511 -7.052 -1.310 382 HA SER 54 HA SER 54 -4.910 -8.901 -2.376 383 HB2 SER 54 1HB SER 54 -2.585 -9.438 -1.870 384 HB3 SER 54 2HB SER 54 -3.014 -10.048 -0.284 385 HG SER 54 HG SER 54 -3.162 -11.301 -2.783 386 H GLU 55 H GLU 55 -7.038 -9.550 -2.259 387 HA GLU 55 HA GLU 55 -8.416 -10.051 0.016 388 HB2 GLU 55 1HB GLU 55 -9.207 -9.798 -2.457 389 HB3 GLU 55 2HB GLU 55 -8.998 -11.534 -2.569 390 HG2 GLU 55 1HG GLU 55 -10.416 -11.270 -0.184 391 HG3 GLU 55 2HG GLU 55 -11.087 -9.975 -1.155 392 HE2 GLU 55 HE GLU 55 -13.253 -11.754 -2.235 393 H ALA 56 H ALA 56 -8.213 -11.583 1.585 394 HA ALA 56 HA ALA 56 -6.744 -14.004 0.942 395 HB1 ALA 56 1HB ALA 56 -7.822 -12.971 3.596 396 HB2 ALA 56 2HB ALA 56 -6.643 -14.284 3.360 397 HB3 ALA 56 3HB ALA 56 -6.204 -12.609 2.948 398 H LYS 57 H LYS 57 -9.874 -13.067 2.545 399 HA LYS 57 HA LYS 57 -10.853 -15.717 2.479 400 HB2 LYS 57 1HB LYS 57 -11.488 -13.730 4.017 401 HB3 LYS 57 2HB LYS 57 -12.555 -13.238 2.718 402 HG2 LYS 57 1HG LYS 57 -14.027 -14.622 3.842 403 HG3 LYS 57 2HG LYS 57 -13.283 -15.833 2.816 404 HD2 LYS 57 1HD LYS 57 -11.786 -15.319 5.332 405 HD3 LYS 57 2HD LYS 57 -13.404 -15.942 5.591 406 HE2 LYS 57 1HE LYS 57 -12.818 -18.023 4.875 407 HE3 LYS 57 2HE LYS 57 -12.087 -17.392 3.413 408 HZ1 LYS 57 2HZ LYS 57 -10.629 -17.041 5.939 409 HZ3 LYS 57 1HZ LYS 57 -10.032 -17.225 4.435 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -10.961 -9.248 -0.962 2 HA2 GLY 1 1HA GLY 1 -9.581 -7.557 -1.514 3 HA3 GLY 1 2HA GLY 1 -11.051 -6.653 -1.816 4 HA PRO 2 HA PRO 2 -9.354 -5.437 2.489 5 HB2 PRO 2 2HB PRO 2 -6.910 -6.353 3.243 6 HB3 PRO 2 3HB PRO 2 -8.367 -7.397 3.323 7 HG2 PRO 2 2HG PRO 2 -6.330 -7.234 1.497 8 HG3 PRO 2 3HG PRO 2 -6.986 -8.893 1.687 9 HD2 PRO 2 2HD PRO 2 -7.493 -7.269 -0.513 10 HD3 PRO 2 3HD PRO 2 -8.660 -8.488 0.083 11 H ARG 3 H ARG 3 -8.340 -3.405 2.891 12 HA ARG 3 HA ARG 3 -6.317 -2.711 0.918 13 HB2 ARG 3 1HB ARG 3 -7.733 -0.350 1.843 14 HB3 ARG 3 2HB ARG 3 -7.579 -0.953 0.205 15 HG2 ARG 3 1HG ARG 3 -9.927 -0.964 0.629 16 HG3 ARG 3 2HG ARG 3 -9.444 -2.642 0.786 17 HD2 ARG 3 1HD ARG 3 -10.212 -2.686 2.921 18 HD3 ARG 3 2HD ARG 3 -9.100 -1.407 3.368 19 HE ARG 3 HE ARG 3 -11.417 -0.366 1.946 20 HH11 ARG 3 2HH2 ARG 3 -10.293 -1.450 5.127 21 HH12 ARG 3 1HH2 ARG 3 -11.461 -0.513 5.997 22 HH22 ARG 3 1HH ARG 3 -13.018 0.844 4.782 23 H MET 4 H MET 4 -4.635 -1.239 1.677 24 HA MET 4 HA MET 4 -4.539 -1.141 4.589 25 HB2 MET 4 1HB MET 4 -2.196 -0.853 2.640 26 HB3 MET 4 2HB MET 4 -2.107 -1.218 4.352 27 HG2 MET 4 1HG MET 4 -3.148 -3.425 3.989 28 HG3 MET 4 2HG MET 4 -3.429 -3.057 2.299 29 HE1 MET 4 3HE MET 4 -1.684 -4.590 4.760 30 HE2 MET 4 1HE MET 4 -1.067 -5.719 3.530 31 HE3 MET 4 2HE MET 4 0.062 -4.671 4.421 32 H GLN 5 H GLN 5 -3.273 0.782 5.512 33 HA GLN 5 HA GLN 5 -3.434 3.095 3.778 34 HB2 GLN 5 1HB GLN 5 -4.857 2.799 6.450 35 HB3 GLN 5 2HB GLN 5 -4.485 4.370 5.769 36 HG2 GLN 5 1HG GLN 5 -6.293 4.243 4.410 37 HG3 GLN 5 2HG GLN 5 -5.668 2.780 3.676 38 HE21 GLN 5 1HE2 GLN 5 -5.883 0.773 5.083 39 HE22 GLN 5 2HE2 GLN 5 -7.408 0.516 5.862 40 H CYS 6 H CYS 6 -1.995 4.831 4.403 41 HA CYS 6 HA CYS 6 0.098 3.878 6.189 42 HB2 CYS 6 1HB CYS 6 1.127 6.133 5.062 43 HB3 CYS 6 2HB CYS 6 1.320 4.518 4.409 44 H SER 7 H SER 7 0.426 4.862 8.178 45 HA SER 7 HA SER 7 -1.496 6.793 8.975 46 HB2 SER 7 1HB SER 7 -0.534 6.539 11.192 47 HB3 SER 7 2HB SER 7 -0.670 4.951 10.464 48 HG SER 7 HG SER 7 1.645 5.231 9.804 49 H VAL 8 H VAL 8 -0.210 8.006 6.909 50 HA VAL 8 HA VAL 8 1.314 10.075 8.284 51 HB VAL 8 HB VAL 8 2.225 8.576 5.821 52 HG11 VAL 8 1HG1 VAL 8 4.158 10.143 5.822 53 HG12 VAL 8 2HG1 VAL 8 2.609 10.941 5.458 54 HG13 VAL 8 3HG1 VAL 8 3.339 11.108 7.073 55 HG21 VAL 8 3HG2 VAL 8 4.348 8.494 7.410 56 HG22 VAL 8 1HG2 VAL 8 3.114 8.681 8.679 57 HG23 VAL 8 2HG2 VAL 8 3.033 7.303 7.555 58 H CYS 9 H CYS 9 0.013 8.994 5.063 59 HA CYS 9 HA CYS 9 -0.995 11.725 4.751 60 HB2 CYS 9 1HB CYS 9 -0.759 11.546 2.441 61 HB3 CYS 9 2HB CYS 9 0.668 10.726 3.043 62 H GLN 10 H GLN 10 -1.703 8.231 4.838 63 HA GLN 10 HA GLN 10 -3.605 7.238 5.336 64 HB2 GLN 10 1HB GLN 10 -4.332 9.858 5.937 65 HB3 GLN 10 2HB GLN 10 -5.532 9.403 4.744 66 HG2 GLN 10 1HG GLN 10 -4.856 7.748 7.223 67 HG3 GLN 10 2HG GLN 10 -6.209 8.856 7.115 68 HE21 GLN 10 1HE2 GLN 10 -7.910 8.445 5.661 69 HE22 GLN 10 2HE2 GLN 10 -8.258 6.852 5.079 70 H TRP 11 H TRP 11 -2.545 6.672 3.013 71 HA TRP 11 HA TRP 11 -4.528 7.216 0.930 72 HB2 TRP 11 1HB TRP 11 -2.208 7.766 0.412 73 HB3 TRP 11 2HB TRP 11 -1.714 6.122 0.763 74 HD1 TRP 11 HD TRP 11 -3.984 7.980 -1.811 75 HE1 TRP 11 1HE TRP 11 -4.040 6.679 -4.106 76 HE3 TRP 11 3HE TRP 11 -1.230 4.008 -0.229 77 HZ2 TRP 11 2HZ TRP 11 -2.952 4.191 -4.983 78 HZ3 TRP 11 3HZ TRP 11 -0.772 2.186 -1.868 79 HH2 TRP 11 HH TRP 11 -1.584 2.233 -4.173 80 H ILE 12 H ILE 12 -5.901 5.596 0.254 81 HA ILE 12 HA ILE 12 -5.680 3.065 1.652 82 HB ILE 12 HB ILE 12 -7.829 4.333 -0.040 83 HG12 ILE 12 1HG1 ILE 12 -7.450 3.869 2.916 84 HG13 ILE 12 2HG1 ILE 12 -7.776 5.371 2.074 85 HG21 ILE 12 1HG2 ILE 12 -9.246 2.414 0.531 86 HG22 ILE 12 2HG2 ILE 12 -7.844 1.931 -0.454 87 HG23 ILE 12 3HG2 ILE 12 -7.853 1.613 1.298 88 HD11 ILE 12 3HD1 ILE 12 -9.999 4.130 1.305 89 HD12 ILE 12 1HD1 ILE 12 -9.667 3.110 2.726 90 HD13 ILE 12 2HD1 ILE 12 -9.896 4.864 2.924 91 H TYR 13 H TYR 13 -4.898 1.283 0.800 92 HA TYR 13 HA TYR 13 -4.111 1.331 -2.054 93 HB2 TYR 13 1HB TYR 13 -2.339 0.840 -0.496 94 HB3 TYR 13 2HB TYR 13 -3.321 -0.396 0.310 95 HD1 TYR 13 2HD TYR 13 -3.793 -2.555 -0.817 96 HD2 TYR 13 1HD TYR 13 -1.150 0.368 -2.527 97 HE1 TYR 13 2HE TYR 13 -2.865 -4.282 -2.336 98 HE2 TYR 13 1HE TYR 13 -0.222 -1.360 -4.046 99 HH TYR 13 HH TYR 13 -1.221 -3.748 -5.041 100 H ASP 14 H ASP 14 -5.929 0.712 -3.282 101 HA ASP 14 HA ASP 14 -7.452 -1.514 -2.279 102 HB2 ASP 14 1HB ASP 14 -8.225 0.725 -3.583 103 HB3 ASP 14 2HB ASP 14 -7.931 -0.281 -4.988 104 HD2 ASP 14 HD ASP 14 -11.200 -0.844 -4.717 105 HA PRO 15 HA PRO 15 -4.702 -4.241 -4.585 106 HB2 PRO 15 2HB PRO 15 -6.932 -6.154 -3.895 107 HB3 PRO 15 3HB PRO 15 -5.164 -6.268 -3.614 108 HG2 PRO 15 2HG PRO 15 -6.910 -5.705 -1.589 109 HG3 PRO 15 3HG PRO 15 -5.242 -5.071 -1.770 110 HD2 PRO 15 2HD PRO 15 -7.929 -3.761 -2.389 111 HD3 PRO 15 3HD PRO 15 -6.472 -3.044 -1.637 112 H ALA 16 H ALA 16 -8.050 -3.327 -5.198 113 HA ALA 16 HA ALA 16 -8.458 -4.961 -7.461 114 HB1 ALA 16 1HB ALA 16 -9.725 -2.249 -7.056 115 HB2 ALA 16 2HB ALA 16 -10.444 -3.743 -7.703 116 HB3 ALA 16 3HB ALA 16 -10.116 -3.595 -5.960 117 H LYS 17 H LYS 17 -6.784 -1.884 -6.857 118 HA LYS 17 HA LYS 17 -6.031 -1.881 -9.691 119 HB2 LYS 17 1HB LYS 17 -6.232 0.755 -8.348 120 HB3 LYS 17 2HB LYS 17 -6.562 0.304 -10.008 121 HG2 LYS 17 1HG LYS 17 -8.749 0.593 -9.347 122 HG3 LYS 17 2HG LYS 17 -8.577 -1.068 -8.816 123 HD2 LYS 17 1HD LYS 17 -8.960 -0.438 -6.675 124 HD3 LYS 17 2HD LYS 17 -7.539 0.587 -6.710 125 HE2 LYS 17 1HE LYS 17 -8.900 2.397 -6.583 126 HE3 LYS 17 2HE LYS 17 -9.499 2.016 -8.185 127 HZ1 LYS 17 2HZ LYS 17 -10.723 0.344 -6.227 128 HZ3 LYS 17 1HZ LYS 17 -11.438 1.344 -7.296 129 H GLY 18 H GLY 18 -5.267 -0.391 -6.461 130 HA2 GLY 18 1HA GLY 18 -3.303 -0.059 -5.421 131 HA3 GLY 18 2HA GLY 18 -2.764 -1.546 -6.176 132 H GLU 19 H GLU 19 -0.986 -1.382 -7.466 133 HA GLU 19 HA GLU 19 -0.745 0.959 -9.123 134 HB2 GLU 19 1HB GLU 19 1.313 0.181 -7.019 135 HB3 GLU 19 2HB GLU 19 1.708 1.203 -8.387 136 HG2 GLU 19 1HG GLU 19 -0.616 1.843 -6.525 137 HG3 GLU 19 2HG GLU 19 1.015 2.387 -6.186 138 HE2 GLU 19 HE GLU 19 -0.394 3.006 -9.724 139 HA PRO 20 HA PRO 20 0.415 -2.904 -11.268 140 HB2 PRO 20 2HB PRO 20 -0.927 -2.319 -13.583 141 HB3 PRO 20 3HB PRO 20 -1.757 -2.940 -12.119 142 HG2 PRO 20 2HG PRO 20 -1.800 0.076 -13.054 143 HG3 PRO 20 3HG PRO 20 -2.824 -1.276 -12.467 144 HD2 PRO 20 2HD PRO 20 -1.422 0.731 -10.906 145 HD3 PRO 20 3HD PRO 20 -2.308 -0.696 -10.288 146 H MET 21 H MET 21 1.536 0.178 -11.158 147 HA MET 21 HA MET 21 3.201 -0.301 -13.498 148 HB2 MET 21 1HB MET 21 2.131 2.412 -12.540 149 HB3 MET 21 2HB MET 21 3.177 2.171 -13.925 150 HG2 MET 21 1HG MET 21 0.310 1.169 -13.603 151 HG3 MET 21 2HG MET 21 0.876 2.393 -14.723 152 HE1 MET 21 3HE MET 21 0.276 -1.830 -15.348 153 HE2 MET 21 1HE MET 21 -0.473 -0.558 -14.354 154 HE3 MET 21 2HE MET 21 -0.643 -0.519 -16.125 155 H GLN 22 H GLN 22 3.476 -0.823 -10.519 156 HA GLN 22 HA GLN 22 5.964 0.644 -10.242 157 HB2 GLN 22 1HB GLN 22 4.047 1.677 -8.852 158 HB3 GLN 22 2HB GLN 22 4.091 0.217 -7.884 159 HG2 GLN 22 1HG GLN 22 6.612 0.649 -7.561 160 HG3 GLN 22 2HG GLN 22 6.353 2.220 -8.293 161 HE21 GLN 22 1HE2 GLN 22 4.594 3.559 -7.353 162 HE22 GLN 22 2HE2 GLN 22 4.393 3.573 -5.632 163 H ASP 23 H ASP 23 4.768 -2.214 -10.882 164 HA ASP 23 HA ASP 23 5.792 -4.172 -10.765 165 HB2 ASP 23 1HB ASP 23 7.146 -3.473 -8.138 166 HB3 ASP 23 2HB ASP 23 7.642 -4.661 -9.327 167 HD2 ASP 23 HD ASP 23 9.137 -2.402 -8.220 168 H VAL 24 H VAL 24 3.387 -2.937 -9.223 169 HA VAL 24 HA VAL 24 2.989 -5.230 -7.445 170 HB VAL 24 HB VAL 24 2.195 -2.385 -6.805 171 HG11 VAL 24 1HG1 VAL 24 1.767 -5.042 -5.498 172 HG12 VAL 24 2HG1 VAL 24 2.045 -3.627 -4.456 173 HG13 VAL 24 3HG1 VAL 24 0.687 -3.631 -5.607 174 HG21 VAL 24 3HG2 VAL 24 3.952 -2.520 -5.033 175 HG22 VAL 24 1HG2 VAL 24 4.520 -4.039 -5.768 176 HG23 VAL 24 2HG2 VAL 24 4.602 -2.518 -6.690 177 H ALA 25 H ALA 25 1.805 -6.215 -9.182 178 HA ALA 25 HA ALA 25 -0.283 -4.848 -10.500 179 HB1 ALA 25 1HB ALA 25 1.053 -7.380 -10.597 180 HB2 ALA 25 2HB ALA 25 -0.696 -7.687 -10.487 181 HB3 ALA 25 3HB ALA 25 -0.052 -6.666 -11.795 182 HA PRO 26 HA PRO 26 -3.795 -4.979 -7.934 183 HB2 PRO 26 2HB PRO 26 -5.160 -6.730 -9.981 184 HB3 PRO 26 3HB PRO 26 -5.634 -5.140 -9.299 185 HG2 PRO 26 2HG PRO 26 -4.597 -5.288 -11.845 186 HG3 PRO 26 3HG PRO 26 -4.387 -4.022 -10.592 187 HD2 PRO 26 2HD PRO 26 -2.524 -6.307 -11.414 188 HD3 PRO 26 3HD PRO 26 -2.125 -4.589 -11.108 189 H GLY 27 H GLY 27 -5.413 -6.595 -6.817 190 HA2 GLY 27 1HA GLY 27 -5.427 -8.323 -5.338 191 HA3 GLY 27 2HA GLY 27 -5.375 -9.259 -6.818 192 H THR 28 H THR 28 -2.977 -7.281 -4.916 193 HA THR 28 HA THR 28 -1.180 -9.614 -5.046 194 HB THR 28 HB THR 28 -0.714 -6.622 -5.382 195 HG1 THR 28 1HG THR 28 0.229 -7.522 -7.313 196 HG21 THR 28 3HG2 THR 28 1.704 -7.054 -5.294 197 HG22 THR 28 1HG2 THR 28 0.997 -7.550 -3.738 198 HG23 THR 28 2HG2 THR 28 1.419 -8.778 -4.955 199 HA PRO 29 HA PRO 29 -1.469 -9.653 -0.687 200 HB2 PRO 29 2HB PRO 29 0.495 -11.474 -0.207 201 HB3 PRO 29 3HB PRO 29 -1.027 -11.928 -1.040 202 HG2 PRO 29 2HG PRO 29 1.355 -11.063 -1.980 203 HG3 PRO 29 3HG PRO 29 0.869 -12.579 -2.807 204 HD2 PRO 29 2HD PRO 29 0.434 -10.470 -4.211 205 HD3 PRO 29 3HD PRO 29 -1.074 -11.345 -3.805 206 H TRP 30 H TRP 30 -0.702 -7.997 0.622 207 HA TRP 30 HA TRP 30 1.387 -6.372 0.018 208 HB2 TRP 30 1HB TRP 30 -0.299 -5.885 1.702 209 HB3 TRP 30 2HB TRP 30 0.342 -7.134 2.750 210 HD1 TRP 30 HD TRP 30 2.408 -6.452 4.289 211 HE1 TRP 30 1HE TRP 30 3.803 -4.265 4.772 212 HE3 TRP 30 3HE TRP 30 0.554 -3.777 0.383 213 HZ2 TRP 30 2HZ TRP 30 3.970 -1.718 3.496 214 HZ3 TRP 30 3HZ TRP 30 1.385 -1.447 0.072 215 HH2 TRP 30 HH TRP 30 3.034 -0.413 1.551 216 H SER 31 H SER 31 1.394 -9.651 1.334 217 HA SER 31 HA SER 31 3.928 -9.574 2.482 218 HB2 SER 31 1HB SER 31 1.942 -11.636 1.691 219 HB3 SER 31 2HB SER 31 3.599 -12.207 1.685 220 HG SER 31 HG SER 31 3.666 -12.129 3.832 221 H GLU 32 H GLU 32 2.720 -10.362 -0.824 222 HA GLU 32 HA GLU 32 5.241 -11.190 -1.754 223 HB2 GLU 32 1HB GLU 32 3.024 -11.846 -2.758 224 HB3 GLU 32 2HB GLU 32 2.832 -10.207 -3.348 225 HG2 GLU 32 1HG GLU 32 5.463 -11.207 -4.101 226 HG3 GLU 32 2HG GLU 32 4.238 -12.355 -4.601 227 HE2 GLU 32 HE GLU 32 4.212 -8.632 -6.106 228 H VAL 33 H VAL 33 3.509 -8.080 -1.541 229 HA VAL 33 HA VAL 33 4.805 -6.553 -3.365 230 HB VAL 33 HB VAL 33 3.866 -5.977 -0.560 231 HG11 VAL 33 1HG1 VAL 33 4.083 -3.601 -0.987 232 HG12 VAL 33 2HG1 VAL 33 5.674 -4.379 -1.168 233 HG13 VAL 33 3HG1 VAL 33 4.740 -3.916 -2.611 234 HG21 VAL 33 3HG2 VAL 33 1.942 -5.031 -1.610 235 HG22 VAL 33 1HG2 VAL 33 2.700 -5.107 -3.219 236 HG23 VAL 33 2HG2 VAL 33 2.231 -6.608 -2.384 237 HA PRO 34 HA PRO 34 9.085 -7.155 -2.418 238 HB2 PRO 34 2HB PRO 34 9.277 -4.739 -4.214 239 HB3 PRO 34 3HB PRO 34 10.071 -6.344 -4.324 240 HG2 PRO 34 2HG PRO 34 7.971 -5.745 -6.016 241 HG3 PRO 34 3HG PRO 34 8.423 -7.292 -5.228 242 HD2 PRO 34 2HD PRO 34 6.308 -5.222 -4.426 243 HD3 PRO 34 3HD PRO 34 6.141 -7.000 -4.551 244 H ASP 35 H ASP 35 10.914 -5.670 -1.563 245 HA ASP 35 HA ASP 35 9.669 -3.855 0.290 246 HB2 ASP 35 1HB ASP 35 11.873 -3.851 1.405 247 HB3 ASP 35 2HB ASP 35 11.331 -5.493 1.118 248 HD2 ASP 35 HD ASP 35 14.567 -3.897 0.233 249 H ASN 36 H ASN 36 9.709 -3.050 -2.510 250 HA ASN 36 HA ASN 36 11.599 -0.840 -2.321 251 HB2 ASN 36 1HB ASN 36 11.148 -2.810 -4.514 252 HB3 ASN 36 2HB ASN 36 11.146 -1.145 -5.059 253 HD21 ASN 36 1HD2 ASN 36 12.945 0.231 -4.410 254 HD22 ASN 36 2HD2 ASN 36 14.534 -0.442 -4.259 255 H PHE 37 H PHE 37 8.929 -0.769 -1.322 256 HA PHE 37 HA PHE 37 7.538 0.756 -3.411 257 HB2 PHE 37 1HB PHE 37 6.541 -1.464 -2.490 258 HB3 PHE 37 2HB PHE 37 6.434 -0.681 -0.926 259 HD1 PHE 37 1HD PHE 37 5.114 -0.702 -4.358 260 HD2 PHE 37 2HD PHE 37 4.713 0.924 -0.459 261 HE1 PHE 37 1HE PHE 37 2.861 0.217 -4.973 262 HE2 PHE 37 2HE PHE 37 2.461 1.844 -1.074 263 HZ PHE 37 HZ PHE 37 1.561 1.480 -3.324 264 H LEU 38 H LEU 38 6.907 2.851 -2.947 265 HA LEU 38 HA LEU 38 7.063 3.717 -0.171 266 HB2 LEU 38 1HB LEU 38 8.291 5.598 -2.062 267 HB3 LEU 38 2HB LEU 38 8.723 5.198 -0.411 268 HG LEU 38 HG LEU 38 9.312 3.291 -2.672 269 HD11 LEU 38 1HD1 LEU 38 11.412 4.286 -3.098 270 HD12 LEU 38 2HD1 LEU 38 10.222 5.609 -3.156 271 HD13 LEU 38 3HD1 LEU 38 11.253 5.403 -1.720 272 HD21 LEU 38 3HD2 LEU 38 9.529 3.012 0.043 273 HD22 LEU 38 1HD2 LEU 38 10.461 2.096 -1.167 274 HD23 LEU 38 2HD2 LEU 38 11.168 3.542 -0.406 275 H CYS 39 H CYS 39 5.237 4.802 0.325 276 HA CYS 39 HA CYS 39 3.137 5.140 -1.262 277 HB2 CYS 39 1HB CYS 39 3.443 5.675 1.258 278 HB3 CYS 39 2HB CYS 39 3.813 7.305 0.731 279 HA PRO 40 HA PRO 40 4.458 8.034 -4.359 280 HB2 PRO 40 2HB PRO 40 2.032 8.327 -5.599 281 HB3 PRO 40 3HB PRO 40 2.989 6.814 -5.698 282 HG2 PRO 40 2HG PRO 40 0.803 7.498 -3.977 283 HG3 PRO 40 3HG PRO 40 0.931 5.943 -4.861 284 HD2 PRO 40 2HD PRO 40 1.562 6.108 -2.225 285 HD3 PRO 40 3HD PRO 40 2.582 5.137 -3.330 286 H GLU 41 H GLU 41 2.634 8.646 -1.556 287 HA GLU 41 HA GLU 41 2.490 11.455 -2.323 288 HB2 GLU 41 1HB GLU 41 0.443 9.756 -0.875 289 HB3 GLU 41 2HB GLU 41 0.517 11.480 -0.570 290 HG2 GLU 41 1HG GLU 41 0.077 10.126 -3.270 291 HG3 GLU 41 2HG GLU 41 -1.102 11.050 -2.361 292 HE2 GLU 41 HE GLU 41 0.084 13.318 -1.763 293 H CYS 42 H CYS 42 2.990 8.962 0.203 294 HA CYS 42 HA CYS 42 4.501 10.971 1.693 295 HB2 CYS 42 1HB CYS 42 3.579 10.403 3.757 296 HB3 CYS 42 2HB CYS 42 2.182 10.448 2.700 297 H SER 43 H SER 43 5.571 9.245 -0.263 298 HA SER 43 HA SER 43 6.311 6.880 -0.122 299 HB2 SER 43 1HB SER 43 8.440 9.040 0.216 300 HB3 SER 43 2HB SER 43 8.723 7.441 -0.441 301 HG SER 43 HG SER 43 8.099 9.541 -1.850 302 H LEU 44 H LEU 44 6.705 5.274 1.359 303 HA LEU 44 HA LEU 44 7.938 6.092 3.896 304 HB2 LEU 44 1HB LEU 44 5.333 5.405 3.662 305 HB3 LEU 44 2HB LEU 44 6.041 3.823 3.923 306 HG LEU 44 HG LEU 44 7.158 4.757 5.990 307 HD11 LEU 44 1HD1 LEU 44 5.228 6.925 6.300 308 HD12 LEU 44 2HD1 LEU 44 6.980 6.890 6.613 309 HD13 LEU 44 3HD1 LEU 44 6.376 7.207 4.969 310 HD21 LEU 44 3HD2 LEU 44 5.115 4.628 7.364 311 HD22 LEU 44 1HD2 LEU 44 4.130 4.735 5.886 312 HD23 LEU 44 2HD2 LEU 44 5.200 3.336 6.142 313 H GLY 45 H GLY 45 8.083 3.409 4.935 314 HA2 GLY 45 1HA GLY 45 10.092 2.297 3.072 315 HA3 GLY 45 2HA GLY 45 10.175 2.218 4.821 316 H LYS 46 H LYS 46 6.941 1.856 4.306 317 HA LYS 46 HA LYS 46 5.530 0.158 4.060 318 HB2 LYS 46 1HB LYS 46 5.993 -1.077 2.274 319 HB3 LYS 46 2HB LYS 46 7.688 -0.648 2.375 320 HG2 LYS 46 1HG LYS 46 7.895 -2.475 4.201 321 HG3 LYS 46 2HG LYS 46 6.291 -2.995 3.726 322 HD2 LYS 46 1HD LYS 46 7.020 -3.900 1.739 323 HD3 LYS 46 2HD LYS 46 8.162 -2.604 1.445 324 HE2 LYS 46 1HE LYS 46 9.140 -4.958 1.944 325 HE3 LYS 46 2HE LYS 46 9.846 -3.600 2.798 326 HZ1 LYS 46 2HZ LYS 46 8.690 -5.828 3.951 327 HZ3 LYS 46 1HZ LYS 46 7.629 -4.630 4.251 328 H ASP 47 H ASP 47 7.856 0.618 6.250 329 HA ASP 47 HA ASP 47 7.574 -1.924 7.578 330 HB2 ASP 47 1HB ASP 47 9.766 -0.601 7.458 331 HB3 ASP 47 2HB ASP 47 9.032 0.590 8.512 332 HD2 ASP 47 HD ASP 47 10.949 -1.426 10.662 333 H VAL 48 H VAL 48 5.556 0.565 7.146 334 HA VAL 48 HA VAL 48 4.697 0.623 9.955 335 HB VAL 48 HB VAL 48 4.428 2.844 7.921 336 HG11 VAL 48 1HG1 VAL 48 2.751 3.381 9.351 337 HG12 VAL 48 2HG1 VAL 48 3.419 2.401 10.679 338 HG13 VAL 48 3HG1 VAL 48 4.089 4.015 10.338 339 HG21 VAL 48 3HG2 VAL 48 6.568 3.329 8.351 340 HG22 VAL 48 1HG2 VAL 48 6.060 3.729 10.010 341 HG23 VAL 48 2HG2 VAL 48 6.663 2.097 9.632 342 H PHE 49 H PHE 49 3.531 1.337 6.581 343 HA PHE 49 HA PHE 49 1.003 1.238 6.582 344 HB2 PHE 49 1HB PHE 49 3.063 -0.353 5.079 345 HB3 PHE 49 2HB PHE 49 1.426 -0.948 4.881 346 HD1 PHE 49 1HD PHE 49 3.603 1.997 4.406 347 HD2 PHE 49 2HD PHE 49 -0.142 0.208 3.523 348 HE1 PHE 49 1HE PHE 49 3.175 3.751 2.662 349 HE2 PHE 49 2HE PHE 49 -0.570 1.962 1.779 350 HZ PHE 49 HZ PHE 49 1.094 3.713 1.369 351 H GLU 50 H GLU 50 -0.716 0.236 7.525 352 HA GLU 50 HA GLU 50 -0.178 -2.404 8.639 353 HB2 GLU 50 1HB GLU 50 -1.971 -0.134 9.561 354 HB3 GLU 50 2HB GLU 50 -2.225 -1.772 10.132 355 HG2 GLU 50 1HG GLU 50 0.608 -0.869 10.265 356 HG3 GLU 50 2HG GLU 50 -0.483 0.056 11.278 357 HE2 GLU 50 HE GLU 50 1.076 -3.036 12.482 358 H GLU 51 H GLU 51 -2.595 -3.502 9.058 359 HA GLU 51 HA GLU 51 -4.496 -4.213 8.198 360 HB2 GLU 51 1HB GLU 51 -4.155 -2.672 5.615 361 HB3 GLU 51 2HB GLU 51 -5.638 -3.170 6.404 362 HG2 GLU 51 1HG GLU 51 -4.311 -1.537 8.310 363 HG3 GLU 51 2HG GLU 51 -4.079 -0.718 6.778 364 HE2 GLU 51 HE GLU 51 -5.760 0.475 8.545 365 H LEU 52 H LEU 52 -4.914 -4.759 5.259 366 HA LEU 52 HA LEU 52 -2.599 -6.389 4.612 367 HB2 LEU 52 1HB LEU 52 -4.476 -8.231 4.129 368 HB3 LEU 52 2HB LEU 52 -3.521 -8.162 5.597 369 HG LEU 52 HG LEU 52 -6.091 -6.644 5.567 370 HD11 LEU 52 1HD1 LEU 52 -7.339 -8.708 6.213 371 HD12 LEU 52 2HD1 LEU 52 -6.829 -8.663 4.508 372 HD13 LEU 52 3HD1 LEU 52 -5.938 -9.666 5.677 373 HD21 LEU 52 3HD2 LEU 52 -6.080 -7.831 7.918 374 HD22 LEU 52 1HD2 LEU 52 -4.347 -8.034 7.562 375 HD23 LEU 52 2HD2 LEU 52 -5.063 -6.405 7.601 376 H ALA 53 H ALA 53 -3.396 -7.685 2.402 377 HA ALA 53 HA ALA 53 -5.023 -5.914 0.790 378 HB1 ALA 53 1HB ALA 53 -3.127 -5.806 -0.929 379 HB2 ALA 53 2HB ALA 53 -2.935 -4.791 0.520 380 HB3 ALA 53 3HB ALA 53 -2.042 -6.324 0.383 381 H SER 54 H SER 54 -4.733 -6.932 -1.674 382 HA SER 54 HA SER 54 -5.072 -8.638 -2.978 383 HB2 SER 54 1HB SER 54 -2.999 -9.614 -1.926 384 HB3 SER 54 2HB SER 54 -4.009 -10.432 -0.751 385 HG SER 54 HG SER 54 -3.698 -11.949 -2.346 386 H GLU 55 H GLU 55 -7.009 -9.662 -3.497 387 HA GLU 55 HA GLU 55 -9.163 -9.458 -1.942 388 HB2 GLU 55 1HB GLU 55 -8.431 -11.333 -4.183 389 HB3 GLU 55 2HB GLU 55 -9.940 -11.614 -3.338 390 HG2 GLU 55 1HG GLU 55 -10.459 -9.106 -3.721 391 HG3 GLU 55 2HG GLU 55 -9.090 -9.087 -4.814 392 HE2 GLU 55 HE GLU 55 -12.512 -10.634 -6.038 393 H ALA 56 H ALA 56 -7.264 -12.543 -2.339 394 HA ALA 56 HA ALA 56 -7.355 -13.123 0.413 395 HB1 ALA 56 1HB ALA 56 -9.261 -14.736 -1.331 396 HB2 ALA 56 2HB ALA 56 -8.930 -14.986 0.400 397 HB3 ALA 56 3HB ALA 56 -9.762 -13.509 -0.142 398 H LYS 57 H LYS 57 -5.200 -12.938 -1.155 399 HA LYS 57 HA LYS 57 -3.400 -14.012 -1.843 400 HB2 LYS 57 1HB LYS 57 -4.750 -16.133 -0.217 401 HB3 LYS 57 2HB LYS 57 -3.372 -16.590 -1.198 402 HG2 LYS 57 1HG LYS 57 -2.193 -15.915 0.661 403 HG3 LYS 57 2HG LYS 57 -2.340 -14.339 -0.089 404 HD2 LYS 57 1HD LYS 57 -4.751 -14.587 1.317 405 HD3 LYS 57 2HD LYS 57 -3.597 -15.365 2.382 406 HE2 LYS 57 1HE LYS 57 -2.919 -13.312 3.068 407 HE3 LYS 57 2HE LYS 57 -2.271 -13.029 1.464 408 HZ1 LYS 57 2HZ LYS 57 -3.857 -11.311 1.963 409 HZ3 LYS 57 1HZ LYS 57 -5.022 -12.374 2.371 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -9.115 -8.031 -2.999 2 HA2 GLY 1 1HA GLY 1 -11.305 -7.005 -1.958 3 HA3 GLY 1 2HA GLY 1 -10.440 -8.298 -1.151 4 HA PRO 2 HA PRO 2 -9.372 -5.727 2.250 5 HB2 PRO 2 2HB PRO 2 -6.505 -6.463 2.154 6 HB3 PRO 2 3HB PRO 2 -7.795 -6.986 3.286 7 HG2 PRO 2 2HG PRO 2 -6.763 -8.888 1.384 8 HG3 PRO 2 3HG PRO 2 -8.407 -8.766 2.090 9 HD2 PRO 2 2HD PRO 2 -7.311 -7.538 -0.509 10 HD3 PRO 2 3HD PRO 2 -8.737 -8.601 -0.309 11 H ARG 3 H ARG 3 -7.563 -4.016 3.062 12 HA ARG 3 HA ARG 3 -6.282 -2.734 0.862 13 HB2 ARG 3 1HB ARG 3 -7.774 -0.646 2.226 14 HB3 ARG 3 2HB ARG 3 -7.767 -1.040 0.519 15 HG2 ARG 3 1HG ARG 3 -10.051 -1.256 1.398 16 HG3 ARG 3 2HG ARG 3 -9.459 -2.835 0.919 17 HD2 ARG 3 1HD ARG 3 -9.751 -3.630 3.026 18 HD3 ARG 3 2HD ARG 3 -8.699 -2.390 3.677 19 HE ARG 3 HE ARG 3 -11.639 -2.322 3.578 20 HH11 ARG 3 2HH2 ARG 3 -8.682 -0.417 4.009 21 HH12 ARG 3 1HH2 ARG 3 -9.485 0.870 4.845 22 HH22 ARG 3 1HH ARG 3 -11.846 0.727 5.229 23 H MET 4 H MET 4 -4.900 -0.847 1.661 24 HA MET 4 HA MET 4 -4.457 -1.049 4.535 25 HB2 MET 4 1HB MET 4 -2.231 -0.711 2.462 26 HB3 MET 4 2HB MET 4 -2.046 -1.114 4.157 27 HG2 MET 4 1HG MET 4 -3.136 -3.314 3.788 28 HG3 MET 4 2HG MET 4 -3.436 -2.910 2.109 29 HE1 MET 4 3HE MET 4 -1.008 -5.523 3.463 30 HE2 MET 4 1HE MET 4 0.166 -4.408 4.203 31 HE3 MET 4 2HE MET 4 -1.556 -4.306 4.641 32 H GLN 5 H GLN 5 -3.280 0.878 5.460 33 HA GLN 5 HA GLN 5 -3.445 3.206 3.748 34 HB2 GLN 5 1HB GLN 5 -4.873 2.897 6.419 35 HB3 GLN 5 2HB GLN 5 -4.544 4.463 5.705 36 HG2 GLN 5 1HG GLN 5 -6.352 4.262 4.356 37 HG3 GLN 5 2HG GLN 5 -5.691 2.802 3.648 38 HE21 GLN 5 1HE2 GLN 5 -5.890 0.800 5.009 39 HE22 GLN 5 2HE2 GLN 5 -7.391 0.524 5.828 40 H CYS 6 H CYS 6 -1.846 4.758 4.188 41 HA CYS 6 HA CYS 6 0.178 3.863 6.039 42 HB2 CYS 6 1HB CYS 6 1.063 6.245 4.900 43 HB3 CYS 6 2HB CYS 6 1.477 4.620 4.389 44 H SER 7 H SER 7 0.749 4.985 7.946 45 HA SER 7 HA SER 7 -1.268 6.762 8.902 46 HB2 SER 7 1HB SER 7 -0.293 6.454 11.041 47 HB3 SER 7 2HB SER 7 -0.072 4.910 10.244 48 HG SER 7 HG SER 7 2.039 5.134 10.455 49 H VAL 8 H VAL 8 -0.283 8.100 6.794 50 HA VAL 8 HA VAL 8 1.146 10.281 8.046 51 HB VAL 8 HB VAL 8 2.200 8.822 5.616 52 HG11 VAL 8 1HG1 VAL 8 3.066 11.422 6.915 53 HG12 VAL 8 2HG1 VAL 8 4.066 10.508 5.761 54 HG13 VAL 8 3HG1 VAL 8 2.496 11.171 5.247 55 HG21 VAL 8 3HG2 VAL 8 4.246 8.552 7.058 56 HG22 VAL 8 1HG2 VAL 8 3.281 9.143 8.432 57 HG23 VAL 8 2HG2 VAL 8 2.822 7.635 7.605 58 H CYS 9 H CYS 9 -0.025 8.960 4.866 59 HA CYS 9 HA CYS 9 -1.234 11.585 4.413 60 HB2 CYS 9 1HB CYS 9 -0.963 11.307 2.129 61 HB3 CYS 9 2HB CYS 9 0.485 10.545 2.757 62 H GLN 10 H GLN 10 -1.708 8.039 4.601 63 HA GLN 10 HA GLN 10 -3.529 6.935 5.167 64 HB2 GLN 10 1HB GLN 10 -4.391 9.480 5.813 65 HB3 GLN 10 2HB GLN 10 -5.573 9.017 4.606 66 HG2 GLN 10 1HG GLN 10 -5.266 6.716 6.239 67 HG3 GLN 10 2HG GLN 10 -5.273 8.063 7.360 68 HE21 GLN 10 1HE2 GLN 10 -7.133 5.929 5.644 69 HE22 GLN 10 2HE2 GLN 10 -8.671 6.724 5.690 70 H TRP 11 H TRP 11 -2.453 6.531 2.765 71 HA TRP 11 HA TRP 11 -4.474 6.952 0.718 72 HB2 TRP 11 1HB TRP 11 -2.117 7.415 0.221 73 HB3 TRP 11 2HB TRP 11 -1.704 5.748 0.573 74 HD1 TRP 11 HD TRP 11 -4.135 7.561 -1.911 75 HE1 TRP 11 1HE TRP 11 -4.158 6.320 -4.241 76 HE3 TRP 11 3HE TRP 11 -0.965 3.827 -0.547 77 HZ2 TRP 11 2HZ TRP 11 -2.876 3.970 -5.229 78 HZ3 TRP 11 3HZ TRP 11 -0.402 2.099 -2.253 79 HH2 TRP 11 HH TRP 11 -1.302 2.129 -4.526 80 H ILE 12 H ILE 12 -6.048 5.441 0.398 81 HA ILE 12 HA ILE 12 -5.805 2.900 1.729 82 HB ILE 12 HB ILE 12 -7.990 4.227 0.133 83 HG12 ILE 12 1HG1 ILE 12 -7.741 3.593 3.088 84 HG13 ILE 12 2HG1 ILE 12 -7.512 5.173 2.364 85 HG21 ILE 12 1HG2 ILE 12 -8.685 2.132 -0.305 86 HG22 ILE 12 2HG2 ILE 12 -7.685 1.412 0.980 87 HG23 ILE 12 3HG2 ILE 12 -9.241 2.176 1.386 88 HD11 ILE 12 3HD1 ILE 12 -10.057 3.572 2.662 89 HD12 ILE 12 1HD1 ILE 12 -9.756 5.289 3.025 90 HD13 ILE 12 2HD1 ILE 12 -9.921 4.752 1.336 91 H TYR 13 H TYR 13 -4.326 1.634 0.786 92 HA TYR 13 HA TYR 13 -3.977 1.455 -2.068 93 HB2 TYR 13 1HB TYR 13 -2.105 0.996 -0.679 94 HB3 TYR 13 2HB TYR 13 -3.021 -0.154 0.309 95 HD1 TYR 13 2HD TYR 13 -3.587 -2.398 -0.578 96 HD2 TYR 13 1HD TYR 13 -1.097 0.339 -2.759 97 HE1 TYR 13 2HE TYR 13 -2.795 -4.261 -2.012 98 HE2 TYR 13 1HE TYR 13 -0.305 -1.523 -4.193 99 HH TYR 13 HH TYR 13 -0.844 -4.827 -3.484 100 H ASP 14 H ASP 14 -5.787 0.758 -3.250 101 HA ASP 14 HA ASP 14 -7.243 -1.476 -2.167 102 HB2 ASP 14 1HB ASP 14 -7.678 0.032 -4.786 103 HB3 ASP 14 2HB ASP 14 -8.817 -1.055 -4.016 104 HD2 ASP 14 HD ASP 14 -9.196 2.320 -4.152 105 HA PRO 15 HA PRO 15 -4.508 -4.231 -4.446 106 HB2 PRO 15 2HB PRO 15 -6.804 -6.095 -3.811 107 HB3 PRO 15 3HB PRO 15 -5.041 -6.274 -3.533 108 HG2 PRO 15 2HG PRO 15 -6.765 -5.677 -1.506 109 HG3 PRO 15 3HG PRO 15 -5.077 -5.093 -1.677 110 HD2 PRO 15 2HD PRO 15 -7.720 -3.684 -2.241 111 HD3 PRO 15 3HD PRO 15 -6.218 -3.024 -1.526 112 H ALA 16 H ALA 16 -7.942 -3.472 -5.062 113 HA ALA 16 HA ALA 16 -7.950 -4.907 -7.556 114 HB1 ALA 16 1HB ALA 16 -9.957 -4.634 -6.081 115 HB2 ALA 16 2HB ALA 16 -9.925 -2.887 -6.421 116 HB3 ALA 16 3HB ALA 16 -10.218 -4.045 -7.740 117 H LYS 17 H LYS 17 -6.571 -2.022 -6.427 118 HA LYS 17 HA LYS 17 -6.488 -1.004 -9.173 119 HB2 LYS 17 1HB LYS 17 -6.562 0.930 -6.885 120 HB3 LYS 17 2HB LYS 17 -6.990 1.170 -8.567 121 HG2 LYS 17 1HG LYS 17 -9.114 0.228 -8.317 122 HG3 LYS 17 2HG LYS 17 -8.612 -0.837 -7.018 123 HD2 LYS 17 1HD LYS 17 -9.578 0.644 -5.591 124 HD3 LYS 17 2HD LYS 17 -8.215 1.699 -5.909 125 HE2 LYS 17 1HE LYS 17 -9.410 3.035 -7.417 126 HE3 LYS 17 2HE LYS 17 -10.481 1.734 -7.896 127 HZ1 LYS 17 2HZ LYS 17 -11.835 3.005 -6.530 128 HZ3 LYS 17 1HZ LYS 17 -10.648 3.428 -5.498 129 H GLY 18 H GLY 18 -5.081 -0.013 -5.981 130 HA2 GLY 18 1HA GLY 18 -2.943 0.325 -5.369 131 HA3 GLY 18 2HA GLY 18 -2.600 -1.173 -6.211 132 H GLU 19 H GLU 19 -0.903 -0.941 -7.594 133 HA GLU 19 HA GLU 19 -1.034 1.243 -9.464 134 HB2 GLU 19 1HB GLU 19 1.242 0.853 -7.489 135 HB3 GLU 19 2HB GLU 19 1.498 1.667 -9.020 136 HG2 GLU 19 1HG GLU 19 -0.690 2.496 -7.062 137 HG3 GLU 19 2HG GLU 19 0.923 3.178 -7.020 138 HE2 GLU 19 HE GLU 19 -0.818 5.010 -7.563 139 HA PRO 20 HA PRO 20 -0.006 -2.831 -11.327 140 HB2 PRO 20 2HB PRO 20 -1.414 -1.506 -13.615 141 HB3 PRO 20 3HB PRO 20 -1.715 -3.084 -12.816 142 HG2 PRO 20 2HG PRO 20 -3.369 -0.981 -12.501 143 HG3 PRO 20 3HG PRO 20 -3.119 -2.212 -11.220 144 HD2 PRO 20 2HD PRO 20 -1.936 0.574 -11.537 145 HD3 PRO 20 3HD PRO 20 -2.435 -0.280 -10.045 146 H MET 21 H MET 21 1.075 0.366 -11.564 147 HA MET 21 HA MET 21 2.935 -0.460 -13.649 148 HB2 MET 21 1HB MET 21 1.771 2.353 -13.256 149 HB3 MET 21 2HB MET 21 2.888 1.880 -14.521 150 HG2 MET 21 1HG MET 21 1.213 1.037 -15.820 151 HG3 MET 21 2HG MET 21 0.542 0.114 -14.490 152 HE1 MET 21 3HE MET 21 -2.160 1.870 -13.040 153 HE2 MET 21 1HE MET 21 -2.389 0.928 -14.533 154 HE3 MET 21 2HE MET 21 -1.168 0.423 -13.340 155 H GLN 22 H GLN 22 3.110 -0.582 -10.684 156 HA GLN 22 HA GLN 22 5.429 1.152 -10.439 157 HB2 GLN 22 1HB GLN 22 3.486 2.175 -9.215 158 HB3 GLN 22 2HB GLN 22 3.358 0.725 -8.240 159 HG2 GLN 22 1HG GLN 22 5.198 1.252 -6.965 160 HG3 GLN 22 2HG GLN 22 6.099 1.875 -8.332 161 HE21 GLN 22 1HE2 GLN 22 3.717 2.560 -5.875 162 HE22 GLN 22 2HE2 GLN 22 3.754 4.289 -5.966 163 H ASP 23 H ASP 23 4.892 -1.777 -11.078 164 HA ASP 23 HA ASP 23 6.051 -3.599 -10.717 165 HB2 ASP 23 1HB ASP 23 7.562 -1.776 -9.222 166 HB3 ASP 23 2HB ASP 23 7.163 -3.004 -8.037 167 HD2 ASP 23 HD ASP 23 9.422 -2.333 -10.449 168 H VAL 24 H VAL 24 3.387 -2.665 -9.446 169 HA VAL 24 HA VAL 24 3.083 -4.972 -7.713 170 HB VAL 24 HB VAL 24 2.282 -2.187 -6.851 171 HG11 VAL 24 1HG1 VAL 24 2.227 -4.766 -5.257 172 HG12 VAL 24 2HG1 VAL 24 1.566 -3.180 -4.793 173 HG13 VAL 24 3HG1 VAL 24 0.817 -4.104 -6.117 174 HG21 VAL 24 3HG2 VAL 24 4.639 -2.254 -6.635 175 HG22 VAL 24 1HG2 VAL 24 4.002 -2.620 -5.014 176 HG23 VAL 24 2HG2 VAL 24 4.619 -3.933 -6.045 177 H ALA 25 H ALA 25 1.671 -6.033 -9.058 178 HA ALA 25 HA ALA 25 -0.367 -4.546 -10.441 179 HB1 ALA 25 1HB ALA 25 0.069 -6.272 -11.825 180 HB2 ALA 25 2HB ALA 25 0.884 -7.193 -10.538 181 HB3 ALA 25 3HB ALA 25 -0.886 -7.277 -10.709 182 HA PRO 26 HA PRO 26 -3.739 -4.946 -7.704 183 HB2 PRO 26 2HB PRO 26 -5.749 -5.916 -9.346 184 HB3 PRO 26 3HB PRO 26 -5.106 -4.244 -9.434 185 HG2 PRO 26 2HG PRO 26 -4.428 -6.576 -10.939 186 HG3 PRO 26 3HG PRO 26 -4.737 -5.003 -11.745 187 HD2 PRO 26 2HD PRO 26 -2.212 -5.760 -11.395 188 HD3 PRO 26 3HD PRO 26 -2.652 -4.107 -10.869 189 H GLY 27 H GLY 27 -4.991 -6.517 -6.424 190 HA2 GLY 27 1HA GLY 27 -5.386 -8.532 -5.511 191 HA3 GLY 27 2HA GLY 27 -5.186 -9.235 -7.104 192 H THR 28 H THR 28 -2.905 -7.461 -4.892 193 HA THR 28 HA THR 28 -1.211 -9.868 -4.920 194 HB THR 28 HB THR 28 -0.271 -6.961 -5.137 195 HG1 THR 28 1HG THR 28 -0.263 -7.427 -7.359 196 HG21 THR 28 3HG2 THR 28 1.369 -8.719 -4.228 197 HG22 THR 28 1HG2 THR 28 1.171 -9.584 -5.771 198 HG23 THR 28 2HG2 THR 28 1.872 -7.947 -5.751 199 HA PRO 29 HA PRO 29 -1.373 -9.499 -0.581 200 HB2 PRO 29 2HB PRO 29 0.594 -11.254 0.062 201 HB3 PRO 29 3HB PRO 29 -0.906 -11.796 -0.759 202 HG2 PRO 29 2HG PRO 29 1.485 -10.978 -1.736 203 HG3 PRO 29 3HG PRO 29 1.009 -12.561 -2.434 204 HD2 PRO 29 2HD PRO 29 0.603 -10.543 -4.001 205 HD3 PRO 29 3HD PRO 29 -0.893 -11.436 -3.591 206 H TRP 30 H TRP 30 -0.518 -7.937 0.804 207 HA TRP 30 HA TRP 30 1.515 -6.261 -0.024 208 HB2 TRP 30 1HB TRP 30 -0.054 -5.515 1.581 209 HB3 TRP 30 2HB TRP 30 0.317 -6.828 2.681 210 HD1 TRP 30 HD TRP 30 2.420 -6.475 4.317 211 HE1 TRP 30 1HE TRP 30 4.013 -4.469 4.951 212 HE3 TRP 30 3HE TRP 30 1.044 -3.474 0.450 213 HZ2 TRP 30 2HZ TRP 30 4.508 -1.910 3.790 214 HZ3 TRP 30 3HZ TRP 30 2.130 -1.237 0.273 215 HH2 TRP 30 HH TRP 30 3.807 -0.441 1.863 216 H SER 31 H SER 31 1.553 -9.444 1.491 217 HA SER 31 HA SER 31 4.109 -9.250 2.609 218 HB2 SER 31 1HB SER 31 2.025 -11.232 2.330 219 HB3 SER 31 2HB SER 31 3.545 -11.968 1.860 220 HG SER 31 HG SER 31 2.695 -11.027 4.386 221 H GLU 32 H GLU 32 2.822 -10.192 -0.606 222 HA GLU 32 HA GLU 32 5.297 -11.195 -1.516 223 HB2 GLU 32 1HB GLU 32 3.104 -11.904 -2.455 224 HB3 GLU 32 2HB GLU 32 2.833 -10.286 -3.069 225 HG2 GLU 32 1HG GLU 32 4.631 -10.455 -4.648 226 HG3 GLU 32 2HG GLU 32 5.332 -11.840 -3.835 227 HE2 GLU 32 HE GLU 32 1.972 -11.369 -5.308 228 H VAL 33 H VAL 33 3.662 -8.027 -1.486 229 HA VAL 33 HA VAL 33 4.897 -6.643 -3.431 230 HB VAL 33 HB VAL 33 4.191 -5.912 -0.597 231 HG11 VAL 33 1HG1 VAL 33 5.690 -4.315 -2.596 232 HG12 VAL 33 2HG1 VAL 33 4.310 -3.493 -1.828 233 HG13 VAL 33 3HG1 VAL 33 5.617 -4.167 -0.823 234 HG21 VAL 33 3HG2 VAL 33 2.897 -4.921 -3.137 235 HG22 VAL 33 1HG2 VAL 33 2.471 -6.502 -2.440 236 HG23 VAL 33 2HG2 VAL 33 2.223 -5.016 -1.492 237 HA PRO 34 HA PRO 34 9.211 -7.412 -2.816 238 HB2 PRO 34 2HB PRO 34 9.345 -5.062 -4.706 239 HB3 PRO 34 3HB PRO 34 10.077 -6.696 -4.817 240 HG2 PRO 34 2HG PRO 34 7.869 -6.087 -6.358 241 HG3 PRO 34 3HG PRO 34 8.333 -7.619 -5.548 242 HD2 PRO 34 2HD PRO 34 6.348 -5.454 -4.673 243 HD3 PRO 34 3HD PRO 34 6.126 -7.230 -4.701 244 H ASP 35 H ASP 35 10.090 -6.693 -0.869 245 HA ASP 35 HA ASP 35 9.421 -4.448 0.420 246 HB2 ASP 35 1HB ASP 35 12.288 -5.471 0.381 247 HB3 ASP 35 2HB ASP 35 11.444 -4.726 1.723 248 HD2 ASP 35 HD ASP 35 10.991 -8.570 0.813 249 H ASN 36 H ASN 36 9.420 -2.372 -0.491 250 HA ASN 36 HA ASN 36 11.654 -0.943 -0.862 251 HB2 ASN 36 1HB ASN 36 12.404 -2.210 -2.767 252 HB3 ASN 36 2HB ASN 36 10.788 -2.324 -3.436 253 HD21 ASN 36 1HD2 ASN 36 9.756 -0.370 -4.198 254 HD22 ASN 36 2HD2 ASN 36 10.702 0.909 -4.883 255 H PHE 37 H PHE 37 8.743 -1.600 -2.973 256 HA PHE 37 HA PHE 37 7.861 0.667 -3.780 257 HB2 PHE 37 1HB PHE 37 6.494 -1.399 -3.748 258 HB3 PHE 37 2HB PHE 37 6.372 -1.346 -2.001 259 HD1 PHE 37 2HD PHE 37 5.030 0.525 -0.941 260 HD2 PHE 37 1HD PHE 37 4.915 -0.293 -5.103 261 HE1 PHE 37 2HE PHE 37 2.872 1.793 -1.130 262 HE2 PHE 37 1HE PHE 37 2.757 0.975 -5.293 263 HZ PHE 37 HZ PHE 37 1.762 2.003 -3.304 264 H LEU 38 H LEU 38 7.183 2.698 -3.138 265 HA LEU 38 HA LEU 38 6.824 3.106 -0.261 266 HB2 LEU 38 1HB LEU 38 8.301 5.142 -1.875 267 HB3 LEU 38 2HB LEU 38 8.287 4.882 -0.142 268 HG LEU 38 HG LEU 38 9.487 2.786 -1.926 269 HD11 LEU 38 1HD1 LEU 38 10.560 5.522 -1.451 270 HD12 LEU 38 2HD1 LEU 38 11.700 4.160 -1.340 271 HD13 LEU 38 3HD1 LEU 38 10.771 4.424 -2.835 272 HD21 LEU 38 3HD2 LEU 38 10.021 3.726 0.903 273 HD22 LEU 38 1HD2 LEU 38 9.249 2.206 0.391 274 HD23 LEU 38 2HD2 LEU 38 10.974 2.487 0.050 275 H CYS 39 H CYS 39 5.095 4.399 0.257 276 HA CYS 39 HA CYS 39 3.048 4.754 -1.415 277 HB2 CYS 39 1HB CYS 39 3.099 5.182 1.075 278 HB3 CYS 39 2HB CYS 39 3.759 6.769 0.737 279 HA PRO 40 HA PRO 40 4.511 7.715 -4.382 280 HB2 PRO 40 2HB PRO 40 2.162 8.020 -5.750 281 HB3 PRO 40 3HB PRO 40 3.116 6.502 -5.810 282 HG2 PRO 40 2HG PRO 40 0.834 7.173 -4.206 283 HG3 PRO 40 3HG PRO 40 1.025 5.628 -5.098 284 HD2 PRO 40 2HD PRO 40 1.499 5.793 -2.418 285 HD3 PRO 40 3HD PRO 40 2.555 4.800 -3.468 286 H GLU 41 H GLU 41 2.567 8.272 -1.658 287 HA GLU 41 HA GLU 41 2.381 11.084 -2.411 288 HB2 GLU 41 1HB GLU 41 0.396 9.348 -0.909 289 HB3 GLU 41 2HB GLU 41 0.402 11.088 -0.698 290 HG2 GLU 41 1HG GLU 41 0.033 9.585 -3.330 291 HG3 GLU 41 2HG GLU 41 -1.200 10.476 -2.461 292 HE2 GLU 41 HE GLU 41 -0.285 13.107 -2.270 293 H CYS 42 H CYS 42 2.983 8.602 0.097 294 HA CYS 42 HA CYS 42 4.501 10.620 1.551 295 HB2 CYS 42 1HB CYS 42 3.565 10.145 3.647 296 HB3 CYS 42 2HB CYS 42 2.178 10.282 2.584 297 H SER 43 H SER 43 5.499 8.766 -0.323 298 HA SER 43 HA SER 43 6.137 6.384 -0.091 299 HB2 SER 43 1HB SER 43 8.309 8.512 0.165 300 HB3 SER 43 2HB SER 43 8.613 6.854 -0.315 301 HG SER 43 HG SER 43 8.297 7.691 -2.283 302 H LEU 44 H LEU 44 6.490 4.800 1.429 303 HA LEU 44 HA LEU 44 7.689 5.654 3.969 304 HB2 LEU 44 1HB LEU 44 5.252 3.959 3.483 305 HB3 LEU 44 2HB LEU 44 6.180 3.828 4.964 306 HG LEU 44 HG LEU 44 4.599 6.186 3.944 307 HD11 LEU 44 1HD1 LEU 44 4.098 4.086 5.788 308 HD12 LEU 44 2HD1 LEU 44 4.239 5.597 6.718 309 HD13 LEU 44 3HD1 LEU 44 3.069 5.481 5.382 310 HD21 LEU 44 3HD2 LEU 44 6.856 6.174 5.928 311 HD22 LEU 44 1HD2 LEU 44 6.487 7.336 4.631 312 HD23 LEU 44 2HD2 LEU 44 5.496 7.307 6.109 313 H GLY 45 H GLY 45 8.713 3.787 5.174 314 HA2 GLY 45 1HA GLY 45 10.290 2.251 3.289 315 HA3 GLY 45 2HA GLY 45 10.515 2.386 5.022 316 H LYS 46 H LYS 46 7.220 1.771 4.113 317 HA LYS 46 HA LYS 46 5.915 -0.010 4.202 318 HB2 LYS 46 1HB LYS 46 8.477 -1.539 3.670 319 HB3 LYS 46 2HB LYS 46 6.893 -2.285 3.736 320 HG2 LYS 46 1HG LYS 46 6.554 -0.047 2.032 321 HG3 LYS 46 2HG LYS 46 8.112 -0.710 1.581 322 HD2 LYS 46 1HD LYS 46 5.782 -2.602 1.961 323 HD3 LYS 46 2HD LYS 46 5.860 -1.648 0.493 324 HE2 LYS 46 1HE LYS 46 7.558 -2.910 -0.366 325 HE3 LYS 46 2HE LYS 46 8.468 -2.857 1.130 326 HZ1 LYS 46 2HZ LYS 46 7.613 -4.844 1.771 327 HZ3 LYS 46 1HZ LYS 46 7.222 -5.059 0.206 328 H ASP 47 H ASP 47 7.987 1.016 6.476 329 HA ASP 47 HA ASP 47 7.454 -1.182 8.292 330 HB2 ASP 47 1HB ASP 47 9.780 -0.378 8.210 331 HB3 ASP 47 2HB ASP 47 9.259 1.271 8.495 332 HD2 ASP 47 HD ASP 47 9.826 0.835 11.827 333 H VAL 48 H VAL 48 5.727 1.286 7.170 334 HA VAL 48 HA VAL 48 4.646 1.970 9.802 335 HB VAL 48 HB VAL 48 5.050 3.948 7.552 336 HG11 VAL 48 1HG1 VAL 48 4.592 5.568 9.500 337 HG12 VAL 48 2HG1 VAL 48 3.211 4.666 8.831 338 HG13 VAL 48 3HG1 VAL 48 3.955 4.147 10.362 339 HG21 VAL 48 3HG2 VAL 48 6.800 4.959 8.995 340 HG22 VAL 48 1HG2 VAL 48 6.665 3.566 10.095 341 HG23 VAL 48 2HG2 VAL 48 7.230 3.328 8.424 342 H PHE 49 H PHE 49 4.006 -0.012 7.604 343 HA PHE 49 HA PHE 49 1.388 1.088 6.858 344 HB2 PHE 49 1HB PHE 49 3.541 -0.447 5.515 345 HB3 PHE 49 2HB PHE 49 2.009 -1.289 5.393 346 HD1 PHE 49 1HD PHE 49 3.781 1.826 4.549 347 HD2 PHE 49 2HD PHE 49 0.256 -0.470 3.990 348 HE1 PHE 49 1HE PHE 49 3.116 3.313 2.639 349 HE2 PHE 49 2HE PHE 49 -0.409 1.017 2.079 350 HZ PHE 49 HZ PHE 49 1.029 2.890 1.427 351 H GLU 50 H GLU 50 -0.464 -0.378 6.941 352 HA GLU 50 HA GLU 50 -0.032 -2.848 8.343 353 HB2 GLU 50 1HB GLU 50 -1.741 -2.284 10.096 354 HB3 GLU 50 2HB GLU 50 -0.270 -1.341 10.231 355 HG2 GLU 50 1HG GLU 50 -1.307 0.638 9.617 356 HG3 GLU 50 2HG GLU 50 -2.407 -0.152 8.505 357 HE2 GLU 50 HE GLU 50 -3.097 1.700 10.585 358 H GLU 51 H GLU 51 -2.626 -3.608 8.896 359 HA GLU 51 HA GLU 51 -4.653 -3.969 8.074 360 HB2 GLU 51 1HB GLU 51 -3.999 -2.621 5.437 361 HB3 GLU 51 2HB GLU 51 -5.572 -2.873 6.166 362 HG2 GLU 51 1HG GLU 51 -4.014 -1.377 8.058 363 HG3 GLU 51 2HG GLU 51 -3.764 -0.628 6.493 364 HE2 GLU 51 HE GLU 51 -5.067 0.689 8.290 365 H LEU 52 H LEU 52 -5.130 -4.576 5.143 366 HA LEU 52 HA LEU 52 -3.182 -6.705 4.717 367 HB2 LEU 52 1HB LEU 52 -5.896 -7.068 5.642 368 HB3 LEU 52 2HB LEU 52 -5.675 -7.815 4.073 369 HG LEU 52 HG LEU 52 -5.192 -9.526 5.568 370 HD11 LEU 52 1HD1 LEU 52 -3.144 -8.548 3.963 371 HD12 LEU 52 2HD1 LEU 52 -2.355 -8.881 5.523 372 HD13 LEU 52 3HD1 LEU 52 -3.254 -10.170 4.687 373 HD21 LEU 52 3HD2 LEU 52 -3.297 -8.875 7.411 374 HD22 LEU 52 1HD2 LEU 52 -4.206 -7.349 7.295 375 HD23 LEU 52 2HD2 LEU 52 -5.052 -8.860 7.707 376 H ALA 53 H ALA 53 -4.152 -7.866 2.462 377 HA ALA 53 HA ALA 53 -5.261 -5.998 0.643 378 HB1 ALA 53 1HB ALA 53 -3.142 -5.900 -0.792 379 HB2 ALA 53 2HB ALA 53 -3.142 -4.899 0.680 380 HB3 ALA 53 3HB ALA 53 -2.257 -6.443 0.654 381 H SER 54 H SER 54 -4.711 -6.995 -1.757 382 HA SER 54 HA SER 54 -4.968 -8.670 -3.114 383 HB2 SER 54 1HB SER 54 -2.925 -9.561 -1.776 384 HB3 SER 54 2HB SER 54 -4.062 -10.620 -0.966 385 HG SER 54 HG SER 54 -4.062 -11.902 -2.674 386 H GLU 55 H GLU 55 -6.813 -9.796 -3.763 387 HA GLU 55 HA GLU 55 -9.014 -9.774 -2.154 388 HB2 GLU 55 1HB GLU 55 -8.742 -10.090 -4.744 389 HB3 GLU 55 2HB GLU 55 -8.677 -11.804 -4.383 390 HG2 GLU 55 1HG GLU 55 -10.901 -10.279 -3.075 391 HG3 GLU 55 2HG GLU 55 -11.008 -10.440 -4.817 392 HE2 GLU 55 HE GLU 55 -12.638 -12.028 -2.747 393 H ALA 56 H ALA 56 -9.864 -11.113 -0.587 394 HA ALA 56 HA ALA 56 -8.315 -12.961 0.701 395 HB1 ALA 56 1HB ALA 56 -10.067 -12.470 2.045 396 HB2 ALA 56 2HB ALA 56 -11.131 -12.099 0.668 397 HB3 ALA 56 3HB ALA 56 -10.916 -13.785 1.198 398 H LYS 57 H LYS 57 -9.286 -15.397 1.026 399 HA LYS 57 HA LYS 57 -9.595 -16.516 -1.668 400 HB2 LYS 57 1HB LYS 57 -8.019 -18.257 -1.180 401 HB3 LYS 57 2HB LYS 57 -7.240 -16.712 -0.906 402 HG2 LYS 57 1HG LYS 57 -8.362 -17.274 1.592 403 HG3 LYS 57 2HG LYS 57 -7.884 -18.862 1.026 404 HD2 LYS 57 1HD LYS 57 -5.959 -16.521 0.822 405 HD3 LYS 57 2HD LYS 57 -6.136 -17.389 2.334 406 HE2 LYS 57 1HE LYS 57 -5.849 -19.516 0.647 407 HE3 LYS 57 2HE LYS 57 -4.952 -18.317 -0.263 408 HZ1 LYS 57 2HZ LYS 57 -3.947 -17.896 2.162 409 HZ3 LYS 57 1HZ LYS 57 -3.307 -18.997 1.147 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -10.572 -9.845 -0.545 2 HA2 GLY 1 1HA GLY 1 -9.704 -7.920 -1.325 3 HA3 GLY 1 2HA GLY 1 -11.356 -7.337 -1.308 4 HA PRO 2 HA PRO 2 -9.262 -5.782 2.693 5 HB2 PRO 2 2HB PRO 2 -6.761 -6.589 3.354 6 HB3 PRO 2 3HB PRO 2 -8.169 -7.684 3.543 7 HG2 PRO 2 2HG PRO 2 -6.283 -7.427 1.613 8 HG3 PRO 2 3HG PRO 2 -6.719 -9.153 1.830 9 HD2 PRO 2 2HD PRO 2 -7.541 -7.700 -0.346 10 HD3 PRO 2 3HD PRO 2 -8.606 -8.926 0.406 11 H ARG 3 H ARG 3 -7.721 -3.949 3.235 12 HA ARG 3 HA ARG 3 -6.021 -3.219 1.033 13 HB2 ARG 3 1HB ARG 3 -7.770 -0.995 2.037 14 HB3 ARG 3 2HB ARG 3 -7.121 -1.255 0.430 15 HG2 ARG 3 1HG ARG 3 -9.472 -1.635 0.215 16 HG3 ARG 3 2HG ARG 3 -8.754 -3.233 0.212 17 HD2 ARG 3 1HD ARG 3 -9.892 -3.825 2.090 18 HD3 ARG 3 2HD ARG 3 -9.295 -2.426 2.960 19 HE ARG 3 HE ARG 3 -11.875 -2.659 1.580 20 HH11 ARG 3 2HH2 ARG 3 -9.478 -0.405 2.893 21 HH12 ARG 3 1HH2 ARG 3 -10.610 0.895 3.062 22 HH22 ARG 3 1HH ARG 3 -12.893 0.555 2.416 23 H MET 4 H MET 4 -4.777 -1.069 1.666 24 HA MET 4 HA MET 4 -4.385 -1.125 4.560 25 HB2 MET 4 1HB MET 4 -2.324 -0.618 2.341 26 HB3 MET 4 2HB MET 4 -1.970 -0.615 4.057 27 HG2 MET 4 1HG MET 4 -3.047 -3.060 3.978 28 HG3 MET 4 2HG MET 4 -2.664 -2.958 2.271 29 HE1 MET 4 3HE MET 4 -1.325 -5.247 3.536 30 HE2 MET 4 1HE MET 4 0.103 -4.987 4.566 31 HE3 MET 4 2HE MET 4 -1.517 -4.558 5.166 32 H GLN 5 H GLN 5 -3.741 0.921 5.573 33 HA GLN 5 HA GLN 5 -4.187 3.226 3.859 34 HB2 GLN 5 1HB GLN 5 -5.691 2.459 6.352 35 HB3 GLN 5 2HB GLN 5 -5.364 4.160 6.088 36 HG2 GLN 5 1HG GLN 5 -7.086 4.258 4.621 37 HG3 GLN 5 2HG GLN 5 -6.252 3.126 3.574 38 HE21 GLN 5 1HE2 GLN 5 -6.218 0.809 4.864 39 HE22 GLN 5 2HE2 GLN 5 -7.807 0.205 5.194 40 H CYS 6 H CYS 6 -2.055 3.946 3.852 41 HA CYS 6 HA CYS 6 -0.260 3.701 5.893 42 HB2 CYS 6 1HB CYS 6 1.086 5.299 4.755 43 HB3 CYS 6 2HB CYS 6 0.210 4.413 3.523 44 H SER 7 H SER 7 -0.194 4.569 7.939 45 HA SER 7 HA SER 7 -2.117 6.579 8.585 46 HB2 SER 7 1HB SER 7 -1.280 6.240 10.920 47 HB3 SER 7 2HB SER 7 -1.782 4.746 10.153 48 HG SER 7 HG SER 7 0.933 5.396 9.770 49 H VAL 8 H VAL 8 -0.261 7.576 6.709 50 HA VAL 8 HA VAL 8 1.181 9.508 8.379 51 HB VAL 8 HB VAL 8 2.214 8.225 5.843 52 HG11 VAL 8 1HG1 VAL 8 3.652 10.057 7.788 53 HG12 VAL 8 2HG1 VAL 8 4.251 9.441 6.229 54 HG13 VAL 8 3HG1 VAL 8 2.902 10.602 6.268 55 HG21 VAL 8 3HG2 VAL 8 2.302 6.568 7.568 56 HG22 VAL 8 1HG2 VAL 8 3.945 7.229 7.383 57 HG23 VAL 8 2HG2 VAL 8 2.927 7.742 8.750 58 H CYS 9 H CYS 9 0.112 8.736 4.989 59 HA CYS 9 HA CYS 9 -0.873 11.492 4.873 60 HB2 CYS 9 1HB CYS 9 0.027 11.885 2.794 61 HB3 CYS 9 2HB CYS 9 1.287 10.892 3.498 62 H GLN 10 H GLN 10 -1.879 8.539 5.435 63 HA GLN 10 HA GLN 10 -3.557 7.245 4.918 64 HB2 GLN 10 1HB GLN 10 -5.038 8.827 5.768 65 HB3 GLN 10 2HB GLN 10 -4.632 10.027 4.556 66 HG2 GLN 10 1HG GLN 10 -6.210 9.259 3.077 67 HG3 GLN 10 2HG GLN 10 -5.856 7.577 3.415 68 HE21 GLN 10 1HE2 GLN 10 -7.409 6.482 4.319 69 HE22 GLN 10 2HE2 GLN 10 -8.651 7.079 5.368 70 H TRP 11 H TRP 11 -3.262 5.809 3.260 71 HA TRP 11 HA TRP 11 -3.998 6.722 0.590 72 HB2 TRP 11 1HB TRP 11 -1.484 6.895 0.925 73 HB3 TRP 11 2HB TRP 11 -1.468 5.147 1.056 74 HD1 TRP 11 HD TRP 11 -2.781 7.747 -1.567 75 HE1 TRP 11 1HE TRP 11 -2.385 6.855 -4.019 76 HE3 TRP 11 3HE TRP 11 -0.808 3.269 -0.183 77 HZ2 TRP 11 2HZ TRP 11 -1.315 4.432 -5.081 78 HZ3 TRP 11 3HZ TRP 11 -0.113 1.698 -1.990 79 HH2 TRP 11 HH TRP 11 -0.340 2.218 -4.367 80 H ILE 12 H ILE 12 -5.836 5.460 0.423 81 HA ILE 12 HA ILE 12 -5.905 2.844 1.575 82 HB ILE 12 HB ILE 12 -7.874 4.169 -0.290 83 HG12 ILE 12 1HG1 ILE 12 -7.509 4.430 2.698 84 HG13 ILE 12 2HG1 ILE 12 -7.576 5.704 1.496 85 HG21 ILE 12 1HG2 ILE 12 -8.165 1.746 -0.020 86 HG22 ILE 12 2HG2 ILE 12 -8.232 1.953 1.746 87 HG23 ILE 12 3HG2 ILE 12 -9.499 2.664 0.718 88 HD11 ILE 12 3HD1 ILE 12 -9.987 4.607 0.996 89 HD12 ILE 12 1HD1 ILE 12 -9.812 4.093 2.691 90 HD13 ILE 12 2HD1 ILE 12 -9.755 5.823 2.274 91 H TYR 13 H TYR 13 -4.518 1.445 0.702 92 HA TYR 13 HA TYR 13 -4.039 1.333 -2.165 93 HB2 TYR 13 1HB TYR 13 -2.212 0.837 -0.713 94 HB3 TYR 13 2HB TYR 13 -3.173 -0.327 0.215 95 HD1 TYR 13 2HD TYR 13 -3.721 -2.543 -0.734 96 HD2 TYR 13 1HD TYR 13 -1.166 0.228 -2.794 97 HE1 TYR 13 2HE TYR 13 -2.909 -4.377 -2.193 98 HE2 TYR 13 1HE TYR 13 -0.354 -1.606 -4.254 99 HH TYR 13 HH TYR 13 -0.217 -4.006 -4.389 100 H ASP 14 H ASP 14 -5.915 0.730 -3.325 101 HA ASP 14 HA ASP 14 -7.373 -1.529 -2.295 102 HB2 ASP 14 1HB ASP 14 -8.334 0.669 -3.399 103 HB3 ASP 14 2HB ASP 14 -7.919 -0.099 -4.918 104 HD2 ASP 14 HD ASP 14 -9.165 -2.887 -3.658 105 HA PRO 15 HA PRO 15 -4.687 -4.206 -4.728 106 HB2 PRO 15 2HB PRO 15 -6.989 -6.070 -4.097 107 HB3 PRO 15 3HB PRO 15 -5.220 -6.289 -3.898 108 HG2 PRO 15 2HG PRO 15 -6.820 -5.728 -1.730 109 HG3 PRO 15 3HG PRO 15 -5.149 -5.157 -2.044 110 HD2 PRO 15 2HD PRO 15 -7.824 -3.723 -2.408 111 HD3 PRO 15 3HD PRO 15 -6.293 -3.093 -1.728 112 H ALA 16 H ALA 16 -8.186 -3.547 -5.206 113 HA ALA 16 HA ALA 16 -8.332 -4.885 -7.701 114 HB1 ALA 16 1HB ALA 16 -10.203 -4.187 -6.037 115 HB2 ALA 16 2HB ALA 16 -10.096 -2.590 -6.816 116 HB3 ALA 16 3HB ALA 16 -10.524 -4.024 -7.780 117 H LYS 17 H LYS 17 -6.688 -2.084 -6.665 118 HA LYS 17 HA LYS 17 -6.454 -1.228 -9.450 119 HB2 LYS 17 1HB LYS 17 -6.456 0.941 -7.427 120 HB3 LYS 17 2HB LYS 17 -7.037 0.935 -9.080 121 HG2 LYS 17 1HG LYS 17 -8.445 -0.512 -6.789 122 HG3 LYS 17 2HG LYS 17 -8.864 1.105 -7.318 123 HD2 LYS 17 1HD LYS 17 -8.733 -0.677 -9.623 124 HD3 LYS 17 2HD LYS 17 -9.782 -1.370 -8.403 125 HE2 LYS 17 1HE LYS 17 -10.057 1.561 -9.146 126 HE3 LYS 17 2HE LYS 17 -10.784 0.330 -10.158 127 HZ1 LYS 17 2HZ LYS 17 -12.407 0.044 -8.645 128 HZ3 LYS 17 1HZ LYS 17 -11.859 1.350 -7.841 129 H GLY 18 H GLY 18 -5.182 -0.124 -6.234 130 HA2 GLY 18 1HA GLY 18 -3.073 0.126 -5.501 131 HA3 GLY 18 2HA GLY 18 -2.734 -1.393 -6.305 132 H GLU 19 H GLU 19 -1.037 -1.286 -7.699 133 HA GLU 19 HA GLU 19 -0.954 0.947 -9.513 134 HB2 GLU 19 1HB GLU 19 1.109 0.413 -7.386 135 HB3 GLU 19 2HB GLU 19 1.673 0.964 -8.952 136 HG2 GLU 19 1HG GLU 19 -0.416 2.375 -7.223 137 HG3 GLU 19 2HG GLU 19 1.254 2.874 -7.410 138 HE2 GLU 19 HE GLU 19 -1.765 2.709 -8.958 139 HA PRO 20 HA PRO 20 -0.116 -3.152 -11.427 140 HB2 PRO 20 2HB PRO 20 -1.718 -1.926 -13.622 141 HB3 PRO 20 3HB PRO 20 -1.973 -3.448 -12.707 142 HG2 PRO 20 2HG PRO 20 -3.605 -1.239 -12.360 143 HG3 PRO 20 3HG PRO 20 -3.251 -2.428 -11.065 144 HD2 PRO 20 2HD PRO 20 -1.967 0.281 -11.658 145 HD3 PRO 20 3HD PRO 20 -2.442 -0.418 -10.080 146 H MET 21 H MET 21 1.177 -0.158 -11.563 147 HA MET 21 HA MET 21 2.825 -0.924 -13.796 148 HB2 MET 21 1HB MET 21 2.583 1.264 -14.914 149 HB3 MET 21 2HB MET 21 0.990 0.559 -14.728 150 HG2 MET 21 1HG MET 21 2.173 2.542 -12.728 151 HG3 MET 21 2HG MET 21 1.177 3.033 -14.084 152 HE1 MET 21 3HE MET 21 -0.834 1.421 -14.679 153 HE2 MET 21 1HE MET 21 -0.788 -0.070 -13.708 154 HE3 MET 21 2HE MET 21 -2.110 1.100 -13.481 155 H GLN 22 H GLN 22 3.195 -0.858 -10.893 156 HA GLN 22 HA GLN 22 5.384 1.042 -10.871 157 HB2 GLN 22 1HB GLN 22 3.273 1.917 -9.631 158 HB3 GLN 22 2HB GLN 22 3.608 0.684 -8.431 159 HG2 GLN 22 1HG GLN 22 6.059 2.137 -9.075 160 HG3 GLN 22 2HG GLN 22 4.794 3.267 -8.633 161 HE21 GLN 22 1HE2 GLN 22 3.999 3.340 -6.589 162 HE22 GLN 22 2HE2 GLN 22 4.658 2.467 -5.246 163 H ASP 23 H ASP 23 4.699 -2.038 -11.045 164 HA ASP 23 HA ASP 23 6.075 -3.734 -10.640 165 HB2 ASP 23 1HB ASP 23 7.707 -1.889 -9.626 166 HB3 ASP 23 2HB ASP 23 7.140 -2.502 -8.085 167 HD2 ASP 23 HD ASP 23 9.484 -4.839 -8.041 168 H VAL 24 H VAL 24 3.381 -2.885 -9.462 169 HA VAL 24 HA VAL 24 3.198 -5.026 -7.532 170 HB VAL 24 HB VAL 24 2.382 -2.200 -6.828 171 HG11 VAL 24 1HG1 VAL 24 2.449 -4.476 -4.874 172 HG12 VAL 24 2HG1 VAL 24 1.456 -2.999 -4.873 173 HG13 VAL 24 3HG1 VAL 24 1.068 -4.331 -5.987 174 HG21 VAL 24 3HG2 VAL 24 4.133 -2.403 -5.051 175 HG22 VAL 24 1HG2 VAL 24 4.683 -3.908 -5.827 176 HG23 VAL 24 2HG2 VAL 24 4.784 -2.363 -6.707 177 H ALA 25 H ALA 25 1.918 -6.104 -9.079 178 HA ALA 25 HA ALA 25 -0.181 -4.831 -10.454 179 HB1 ALA 25 1HB ALA 25 0.003 -6.765 -11.578 180 HB2 ALA 25 2HB ALA 25 1.095 -7.398 -10.323 181 HB3 ALA 25 3HB ALA 25 -0.662 -7.640 -10.177 182 HA PRO 26 HA PRO 26 -3.513 -4.704 -7.641 183 HB2 PRO 26 2HB PRO 26 -5.612 -5.602 -9.200 184 HB3 PRO 26 3HB PRO 26 -4.814 -4.012 -9.432 185 HG2 PRO 26 2HG PRO 26 -4.370 -6.513 -10.738 186 HG3 PRO 26 3HG PRO 26 -4.541 -4.985 -11.663 187 HD2 PRO 26 2HD PRO 26 -2.094 -5.956 -11.253 188 HD3 PRO 26 3HD PRO 26 -2.371 -4.227 -10.886 189 H GLY 27 H GLY 27 -4.877 -6.064 -6.246 190 HA2 GLY 27 1HA GLY 27 -5.394 -7.961 -5.159 191 HA3 GLY 27 2HA GLY 27 -5.360 -8.777 -6.709 192 H THR 28 H THR 28 -2.796 -7.144 -4.707 193 HA THR 28 HA THR 28 -1.325 -9.696 -4.770 194 HB THR 28 HB THR 28 -0.233 -6.840 -4.976 195 HG1 THR 28 1HG THR 28 -0.213 -7.358 -7.177 196 HG21 THR 28 3HG2 THR 28 1.289 -8.694 -3.963 197 HG22 THR 28 1HG2 THR 28 1.176 -9.486 -5.552 198 HG23 THR 28 2HG2 THR 28 1.904 -7.868 -5.415 199 HA PRO 29 HA PRO 29 -1.476 -9.542 -0.421 200 HB2 PRO 29 2HB PRO 29 0.512 -11.351 0.097 201 HB3 PRO 29 3HB PRO 29 -1.054 -11.829 -0.635 202 HG2 PRO 29 2HG PRO 29 1.291 -11.069 -1.716 203 HG3 PRO 29 3HG PRO 29 0.747 -12.616 -2.443 204 HD2 PRO 29 2HD PRO 29 0.283 -10.602 -3.951 205 HD3 PRO 29 3HD PRO 29 -1.230 -11.384 -3.403 206 H TRP 30 H TRP 30 -0.640 -7.942 0.918 207 HA TRP 30 HA TRP 30 1.415 -6.299 0.200 208 HB2 TRP 30 1HB TRP 30 -0.170 -5.718 1.907 209 HB3 TRP 30 2HB TRP 30 0.375 -7.024 2.941 210 HD1 TRP 30 HD TRP 30 2.397 -6.468 4.564 211 HE1 TRP 30 1HE TRP 30 3.953 -4.400 5.077 212 HE3 TRP 30 3HE TRP 30 0.930 -3.703 0.557 213 HZ2 TRP 30 2HZ TRP 30 4.386 -1.896 3.779 214 HZ3 TRP 30 3HZ TRP 30 1.968 -1.457 0.253 215 HH2 TRP 30 HH TRP 30 3.641 -0.545 1.784 216 H SER 31 H SER 31 1.472 -9.563 1.539 217 HA SER 31 HA SER 31 4.067 -9.439 2.580 218 HB2 SER 31 1HB SER 31 3.909 -11.883 2.696 219 HB3 SER 31 2HB SER 31 2.399 -11.166 3.220 220 HG SER 31 HG SER 31 1.580 -12.567 1.796 221 H GLU 32 H GLU 32 2.661 -10.480 -0.585 222 HA GLU 32 HA GLU 32 5.088 -11.374 -1.632 223 HB2 GLU 32 1HB GLU 32 2.857 -12.024 -2.518 224 HB3 GLU 32 2HB GLU 32 2.583 -10.382 -3.064 225 HG2 GLU 32 1HG GLU 32 5.049 -10.930 -4.207 226 HG3 GLU 32 2HG GLU 32 4.292 -12.510 -4.250 227 HE2 GLU 32 HE GLU 32 4.228 -10.225 -6.808 228 H VAL 33 H VAL 33 3.473 -8.190 -1.490 229 HA VAL 33 HA VAL 33 4.749 -6.797 -3.429 230 HB VAL 33 HB VAL 33 3.952 -6.052 -0.619 231 HG11 VAL 33 1HG1 VAL 33 5.316 -4.264 -0.854 232 HG12 VAL 33 2HG1 VAL 33 5.449 -4.463 -2.618 233 HG13 VAL 33 3HG1 VAL 33 4.023 -3.660 -1.918 234 HG21 VAL 33 3HG2 VAL 33 2.678 -5.964 -3.330 235 HG22 VAL 33 1HG2 VAL 33 1.990 -6.432 -1.757 236 HG23 VAL 33 2HG2 VAL 33 2.247 -4.713 -2.140 237 HA PRO 34 HA PRO 34 9.039 -7.532 -2.606 238 HB2 PRO 34 2HB PRO 34 9.253 -5.239 -4.553 239 HB3 PRO 34 3HB PRO 34 9.979 -6.879 -4.592 240 HG2 PRO 34 2HG PRO 34 7.845 -6.290 -6.236 241 HG3 PRO 34 3HG PRO 34 8.258 -7.814 -5.385 242 HD2 PRO 34 2HD PRO 34 6.259 -5.618 -4.629 243 HD3 PRO 34 3HD PRO 34 6.024 -7.392 -4.634 244 H ASP 35 H ASP 35 10.982 -5.995 -2.018 245 HA ASP 35 HA ASP 35 9.874 -4.055 -0.191 246 HB2 ASP 35 1HB ASP 35 11.615 -5.829 0.467 247 HB3 ASP 35 2HB ASP 35 12.774 -4.949 -0.509 248 HD2 ASP 35 HD ASP 35 13.758 -3.129 0.605 249 H ASN 36 H ASN 36 9.838 -1.901 -0.846 250 HA ASN 36 HA ASN 36 11.852 -0.402 -1.605 251 HB2 ASN 36 1HB ASN 36 11.146 -2.167 -3.854 252 HB3 ASN 36 2HB ASN 36 10.964 -0.484 -4.306 253 HD21 ASN 36 1HD2 ASN 36 12.672 0.095 -5.410 254 HD22 ASN 36 2HD2 ASN 36 14.331 -0.170 -4.989 255 H PHE 37 H PHE 37 8.696 -1.281 -3.222 256 HA PHE 37 HA PHE 37 7.603 0.930 -3.973 257 HB2 PHE 37 1HB PHE 37 6.459 -1.302 -3.610 258 HB3 PHE 37 2HB PHE 37 6.398 -0.987 -1.888 259 HD1 PHE 37 1HD PHE 37 4.982 -0.101 -5.149 260 HD2 PHE 37 2HD PHE 37 4.775 0.547 -0.960 261 HE1 PHE 37 1HE PHE 37 2.747 1.006 -5.431 262 HE2 PHE 37 2HE PHE 37 2.540 1.654 -1.242 263 HZ PHE 37 HZ PHE 37 1.552 1.871 -3.474 264 H LEU 38 H LEU 38 7.166 2.988 -3.306 265 HA LEU 38 HA LEU 38 7.090 3.438 -0.406 266 HB2 LEU 38 1HB LEU 38 8.526 5.085 -2.492 267 HB3 LEU 38 2HB LEU 38 8.243 5.603 -0.842 268 HG LEU 38 HG LEU 38 9.987 3.327 -1.799 269 HD11 LEU 38 1HD1 LEU 38 10.748 5.800 -1.747 270 HD12 LEU 38 2HD1 LEU 38 10.797 5.583 0.019 271 HD13 LEU 38 3HD1 LEU 38 11.802 4.556 -1.033 272 HD21 LEU 38 3HD2 LEU 38 9.307 2.237 0.052 273 HD22 LEU 38 1HD2 LEU 38 10.426 3.354 0.870 274 HD23 LEU 38 2HD2 LEU 38 8.683 3.712 0.828 275 H CYS 39 H CYS 39 5.532 4.904 0.323 276 HA CYS 39 HA CYS 39 3.239 5.120 -1.165 277 HB2 CYS 39 1HB CYS 39 3.643 5.447 1.378 278 HB3 CYS 39 2HB CYS 39 3.952 7.124 0.978 279 HA PRO 40 HA PRO 40 4.559 8.010 -4.299 280 HB2 PRO 40 2HB PRO 40 1.555 8.233 -4.558 281 HB3 PRO 40 3HB PRO 40 2.814 7.901 -5.792 282 HG2 PRO 40 2HG PRO 40 1.256 5.828 -4.844 283 HG3 PRO 40 3HG PRO 40 2.984 5.882 -5.322 284 HD2 PRO 40 2HD PRO 40 1.710 5.939 -2.539 285 HD3 PRO 40 3HD PRO 40 3.108 4.980 -3.113 286 H GLU 41 H GLU 41 2.844 8.553 -1.340 287 HA GLU 41 HA GLU 41 2.965 11.417 -1.889 288 HB2 GLU 41 1HB GLU 41 0.855 9.740 -0.616 289 HB3 GLU 41 2HB GLU 41 1.209 11.239 0.218 290 HG2 GLU 41 1HG GLU 41 0.449 10.958 -2.728 291 HG3 GLU 41 2HG GLU 41 -0.576 11.589 -1.454 292 HE2 GLU 41 HE GLU 41 1.024 12.604 -3.871 293 H CYS 42 H CYS 42 3.179 8.842 0.654 294 HA CYS 42 HA CYS 42 5.093 10.587 2.027 295 HB2 CYS 42 1HB CYS 42 4.324 9.863 4.140 296 HB3 CYS 42 2HB CYS 42 2.879 10.251 3.228 297 H SER 43 H SER 43 5.906 8.939 -0.091 298 HA SER 43 HA SER 43 6.686 6.803 -0.518 299 HB2 SER 43 1HB SER 43 8.627 8.576 0.975 300 HB3 SER 43 2HB SER 43 9.160 6.999 0.429 301 HG SER 43 HG SER 43 8.610 7.583 -1.745 302 H LEU 44 H LEU 44 8.407 7.278 2.605 303 HA LEU 44 HA LEU 44 8.174 6.196 4.569 304 HB2 LEU 44 1HB LEU 44 5.735 5.644 3.535 305 HB3 LEU 44 2HB LEU 44 6.415 4.030 3.591 306 HG LEU 44 HG LEU 44 6.721 4.128 5.956 307 HD11 LEU 44 1HD1 LEU 44 7.514 6.170 6.593 308 HD12 LEU 44 2HD1 LEU 44 6.359 7.067 5.577 309 HD13 LEU 44 3HD1 LEU 44 5.819 6.340 7.110 310 HD21 LEU 44 3HD2 LEU 44 4.069 4.951 4.870 311 HD22 LEU 44 1HD2 LEU 44 4.558 3.461 5.713 312 HD23 LEU 44 2HD2 LEU 44 4.287 4.958 6.637 313 H GLY 45 H GLY 45 8.182 3.361 4.983 314 HA2 GLY 45 1HA GLY 45 10.296 2.420 3.162 315 HA3 GLY 45 2HA GLY 45 10.600 2.489 4.887 316 H LYS 46 H LYS 46 7.266 1.909 4.141 317 HA LYS 46 HA LYS 46 5.966 0.122 4.211 318 HB2 LYS 46 1HB LYS 46 8.397 -1.606 3.687 319 HB3 LYS 46 2HB LYS 46 6.717 -2.017 3.410 320 HG2 LYS 46 1HG LYS 46 7.452 0.496 2.063 321 HG3 LYS 46 2HG LYS 46 8.480 -0.831 1.557 322 HD2 LYS 46 1HD LYS 46 5.606 -1.558 1.728 323 HD3 LYS 46 2HD LYS 46 5.938 -0.297 0.558 324 HE2 LYS 46 1HE LYS 46 6.123 -2.469 -0.555 325 HE3 LYS 46 2HE LYS 46 7.715 -1.741 -0.478 326 HZ1 LYS 46 2HZ LYS 46 7.849 -4.031 0.234 327 HZ3 LYS 46 1HZ LYS 46 6.686 -3.837 1.357 328 H ASP 47 H ASP 47 7.703 1.245 6.506 329 HA ASP 47 HA ASP 47 7.475 -1.093 8.229 330 HB2 ASP 47 1HB ASP 47 9.703 0.319 7.898 331 HB3 ASP 47 2HB ASP 47 8.929 1.458 8.982 332 HD2 ASP 47 HD ASP 47 11.035 -1.288 10.455 333 H VAL 48 H VAL 48 5.164 0.480 7.435 334 HA VAL 48 HA VAL 48 4.328 1.394 10.043 335 HB VAL 48 HB VAL 48 4.123 3.239 7.661 336 HG11 VAL 48 1HG1 VAL 48 2.579 3.173 9.903 337 HG12 VAL 48 2HG1 VAL 48 3.883 4.266 10.427 338 HG13 VAL 48 3HG1 VAL 48 2.933 4.647 8.970 339 HG21 VAL 48 3HG2 VAL 48 5.833 4.635 8.837 340 HG22 VAL 48 1HG2 VAL 48 6.111 3.278 9.955 341 HG23 VAL 48 2HG2 VAL 48 6.466 3.089 8.221 342 H PHE 49 H PHE 49 3.451 1.338 6.513 343 HA PHE 49 HA PHE 49 0.868 1.270 6.437 344 HB2 PHE 49 1HB PHE 49 3.019 -0.502 5.269 345 HB3 PHE 49 2HB PHE 49 1.376 -1.056 5.016 346 HD1 PHE 49 1HD PHE 49 3.731 1.703 4.357 347 HD2 PHE 49 2HD PHE 49 -0.065 0.031 3.459 348 HE1 PHE 49 1HE PHE 49 3.504 3.266 2.406 349 HE2 PHE 49 2HE PHE 49 -0.292 1.594 1.508 350 HZ PHE 49 HZ PHE 49 1.496 3.193 1.005 351 H GLU 50 H GLU 50 -0.949 0.040 6.993 352 HA GLU 50 HA GLU 50 -0.364 -2.333 8.582 353 HB2 GLU 50 1HB GLU 50 -2.320 -0.085 9.207 354 HB3 GLU 50 2HB GLU 50 -2.406 -1.651 9.989 355 HG2 GLU 50 1HG GLU 50 0.339 -0.769 10.099 356 HG3 GLU 50 2HG GLU 50 -0.669 0.568 10.614 357 HE2 GLU 50 HE GLU 50 -2.174 -0.977 13.168 358 H GLU 51 H GLU 51 -2.928 -3.267 9.060 359 HA GLU 51 HA GLU 51 -4.676 -4.229 8.187 360 HB2 GLU 51 1HB GLU 51 -4.386 -2.662 5.601 361 HB3 GLU 51 2HB GLU 51 -5.847 -3.333 6.297 362 HG2 GLU 51 1HG GLU 51 -4.272 -1.277 7.867 363 HG3 GLU 51 2HG GLU 51 -5.308 -0.744 6.558 364 HE2 GLU 51 HE GLU 51 -8.223 -1.983 8.268 365 H LEU 52 H LEU 52 -4.975 -4.728 5.153 366 HA LEU 52 HA LEU 52 -2.622 -6.318 4.597 367 HB2 LEU 52 1HB LEU 52 -4.407 -8.233 4.083 368 HB3 LEU 52 2HB LEU 52 -3.512 -8.110 5.584 369 HG LEU 52 HG LEU 52 -6.081 -6.638 5.530 370 HD11 LEU 52 1HD1 LEU 52 -6.231 -9.631 5.807 371 HD12 LEU 52 2HD1 LEU 52 -7.540 -8.450 5.563 372 HD13 LEU 52 3HD1 LEU 52 -6.431 -8.839 4.225 373 HD21 LEU 52 3HD2 LEU 52 -6.256 -7.812 7.782 374 HD22 LEU 52 1HD2 LEU 52 -4.601 -8.398 7.488 375 HD23 LEU 52 2HD2 LEU 52 -4.923 -6.649 7.580 376 H ALA 53 H ALA 53 -3.552 -7.746 2.411 377 HA ALA 53 HA ALA 53 -5.141 -6.033 0.749 378 HB1 ALA 53 1HB ALA 53 -2.718 -6.350 -0.728 379 HB2 ALA 53 2HB ALA 53 -3.481 -4.839 -0.177 380 HB3 ALA 53 3HB ALA 53 -2.288 -5.662 0.857 381 H SER 54 H SER 54 -4.892 -7.032 -1.673 382 HA SER 54 HA SER 54 -5.036 -8.767 -2.989 383 HB2 SER 54 1HB SER 54 -2.954 -9.615 -1.738 384 HB3 SER 54 2HB SER 54 -4.037 -10.589 -0.763 385 HG SER 54 HG SER 54 -4.784 -11.639 -2.717 386 H GLU 55 H GLU 55 -6.974 -9.730 -3.542 387 HA GLU 55 HA GLU 55 -9.055 -9.766 -1.760 388 HB2 GLU 55 1HB GLU 55 -10.288 -10.989 -3.512 389 HB3 GLU 55 2HB GLU 55 -9.331 -9.700 -4.214 390 HG2 GLU 55 1HG GLU 55 -7.494 -11.698 -4.365 391 HG3 GLU 55 2HG GLU 55 -8.949 -12.674 -4.408 392 HE2 GLU 55 HE GLU 55 -7.714 -9.816 -6.520 393 H ALA 56 H ALA 56 -10.378 -11.698 -1.028 394 HA ALA 56 HA ALA 56 -8.605 -13.583 0.226 395 HB1 ALA 56 1HB ALA 56 -10.496 -12.533 1.428 396 HB2 ALA 56 2HB ALA 56 -11.636 -13.284 0.286 397 HB3 ALA 56 3HB ALA 56 -10.664 -14.304 1.373 398 H LYS 57 H LYS 57 -9.649 -15.992 0.285 399 HA LYS 57 HA LYS 57 -10.082 -16.707 -2.533 400 HB2 LYS 57 1HB LYS 57 -8.255 -17.864 -0.455 401 HB3 LYS 57 2HB LYS 57 -8.952 -18.933 -1.655 402 HG2 LYS 57 1HG LYS 57 -8.050 -16.561 -3.025 403 HG3 LYS 57 2HG LYS 57 -6.756 -17.084 -1.965 404 HD2 LYS 57 1HD LYS 57 -7.983 -19.377 -3.322 405 HD3 LYS 57 2HD LYS 57 -7.440 -18.183 -4.484 406 HE2 LYS 57 1HE LYS 57 -5.623 -19.035 -2.203 407 HE3 LYS 57 2HE LYS 57 -5.744 -20.018 -3.649 408 HZ1 LYS 57 2HZ LYS 57 -5.358 -17.211 -4.203 409 HZ3 LYS 57 1HZ LYS 57 -4.574 -18.496 -4.826 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -10.329 -9.719 0.044 2 HA2 GLY 1 1HA GLY 1 -9.396 -8.242 -1.821 3 HA3 GLY 1 2HA GLY 1 -11.068 -7.765 -2.037 4 HA PRO 2 HA PRO 2 -9.622 -5.981 2.145 5 HB2 PRO 2 2HB PRO 2 -7.208 -6.648 3.183 6 HB3 PRO 2 3HB PRO 2 -8.581 -7.802 3.210 7 HG2 PRO 2 2HG PRO 2 -6.442 -7.523 1.565 8 HG3 PRO 2 3HG PRO 2 -6.842 -9.262 1.747 9 HD2 PRO 2 2HD PRO 2 -7.382 -7.854 -0.552 10 HD3 PRO 2 3HD PRO 2 -8.483 -9.135 0.042 11 H ARG 3 H ARG 3 -8.156 -4.111 2.888 12 HA ARG 3 HA ARG 3 -6.357 -3.307 0.771 13 HB2 ARG 3 1HB ARG 3 -8.157 -1.189 1.950 14 HB3 ARG 3 2HB ARG 3 -7.398 -1.235 0.371 15 HG2 ARG 3 1HG ARG 3 -9.594 -1.713 -0.235 16 HG3 ARG 3 2HG ARG 3 -8.991 -3.342 -0.006 17 HD2 ARG 3 1HD ARG 3 -9.826 -3.216 2.414 18 HD3 ARG 3 2HD ARG 3 -10.586 -1.690 2.009 19 HE ARG 3 HE ARG 3 -11.303 -3.800 0.129 20 HH11 ARG 3 2HH2 ARG 3 -12.083 -2.422 3.298 21 HH12 ARG 3 1HH2 ARG 3 -13.707 -3.023 3.298 22 HH22 ARG 3 1HH ARG 3 -14.487 -4.297 1.425 23 H MET 4 H MET 4 -5.191 -1.110 1.570 24 HA MET 4 HA MET 4 -4.895 -1.223 4.458 25 HB2 MET 4 1HB MET 4 -2.516 -1.003 2.546 26 HB3 MET 4 2HB MET 4 -2.463 -1.305 4.272 27 HG2 MET 4 1HG MET 4 -3.303 -3.544 4.026 28 HG3 MET 4 2HG MET 4 -3.867 -3.245 2.393 29 HE1 MET 4 3HE MET 4 -1.597 -4.409 4.683 30 HE2 MET 4 1HE MET 4 -0.956 -5.613 3.539 31 HE3 MET 4 2HE MET 4 0.078 -4.274 4.094 32 H GLN 5 H GLN 5 -3.205 0.717 5.071 33 HA GLN 5 HA GLN 5 -3.384 2.932 3.316 34 HB2 GLN 5 1HB GLN 5 -4.830 4.362 4.589 35 HB3 GLN 5 2HB GLN 5 -5.696 2.853 4.377 36 HG2 GLN 5 1HG GLN 5 -4.061 2.691 6.780 37 HG3 GLN 5 2HG GLN 5 -5.025 4.154 6.835 38 HE21 GLN 5 1HE2 GLN 5 -5.758 1.089 5.221 39 HE22 GLN 5 2HE2 GLN 5 -7.169 0.679 6.137 40 H CYS 6 H CYS 6 -2.013 4.704 4.022 41 HA CYS 6 HA CYS 6 -0.176 3.836 6.109 42 HB2 CYS 6 1HB CYS 6 1.141 5.889 5.040 43 HB3 CYS 6 2HB CYS 6 1.190 4.283 4.339 44 H SER 7 H SER 7 -0.120 4.924 8.065 45 HA SER 7 HA SER 7 -2.039 6.999 8.427 46 HB2 SER 7 1HB SER 7 -1.684 6.697 10.744 47 HB3 SER 7 2HB SER 7 -1.442 5.095 10.079 48 HG SER 7 HG SER 7 0.965 6.127 9.946 49 H VAL 8 H VAL 8 -0.355 8.032 6.580 50 HA VAL 8 HA VAL 8 1.104 10.032 8.123 51 HB VAL 8 HB VAL 8 2.236 8.442 5.812 52 HG11 VAL 8 1HG1 VAL 8 4.236 9.811 6.017 53 HG12 VAL 8 2HG1 VAL 8 2.825 10.849 5.698 54 HG13 VAL 8 3HG1 VAL 8 3.498 10.742 7.342 55 HG21 VAL 8 3HG2 VAL 8 2.493 7.112 7.732 56 HG22 VAL 8 1HG2 VAL 8 4.044 7.973 7.589 57 HG23 VAL 8 2HG2 VAL 8 2.831 8.515 8.773 58 H CYS 9 H CYS 9 0.293 8.988 4.731 59 HA CYS 9 HA CYS 9 -0.474 11.766 4.241 60 HB2 CYS 9 1HB CYS 9 0.070 11.493 1.989 61 HB3 CYS 9 2HB CYS 9 1.330 10.596 2.814 62 H GLN 10 H GLN 10 -1.584 8.518 4.764 63 HA GLN 10 HA GLN 10 -3.583 7.664 4.870 64 HB2 GLN 10 1HB GLN 10 -4.496 9.695 5.790 65 HB3 GLN 10 2HB GLN 10 -4.485 10.498 4.233 66 HG2 GLN 10 1HG GLN 10 -6.760 9.581 5.076 67 HG3 GLN 10 2HG GLN 10 -6.323 9.233 3.415 68 HE21 GLN 10 1HE2 GLN 10 -7.108 7.983 6.472 69 HE22 GLN 10 2HE2 GLN 10 -6.899 6.292 6.158 70 H TRP 11 H TRP 11 -2.526 6.575 2.894 71 HA TRP 11 HA TRP 11 -4.137 7.166 0.503 72 HB2 TRP 11 1HB TRP 11 -1.711 7.636 0.271 73 HB3 TRP 11 2HB TRP 11 -1.370 5.954 0.628 74 HD1 TRP 11 HD TRP 11 -3.312 7.990 -2.083 75 HE1 TRP 11 1HE TRP 11 -3.235 6.743 -4.408 76 HE3 TRP 11 3HE TRP 11 -0.875 3.863 -0.383 77 HZ2 TRP 11 2HZ TRP 11 -2.186 4.228 -5.255 78 HZ3 TRP 11 3HZ TRP 11 -0.363 2.059 -2.024 79 HH2 TRP 11 HH TRP 11 -0.977 2.193 -4.386 80 H ILE 12 H ILE 12 -5.766 5.677 0.378 81 HA ILE 12 HA ILE 12 -5.486 3.148 1.703 82 HB ILE 12 HB ILE 12 -7.702 4.280 -0.008 83 HG12 ILE 12 1HG1 ILE 12 -7.143 4.392 2.955 84 HG13 ILE 12 2HG1 ILE 12 -7.482 5.713 1.854 85 HG21 ILE 12 1HG2 ILE 12 -8.368 2.231 1.979 86 HG22 ILE 12 2HG2 ILE 12 -8.881 2.404 0.283 87 HG23 ILE 12 3HG2 ILE 12 -7.318 1.644 0.667 88 HD11 ILE 12 3HD1 ILE 12 -9.385 3.701 3.051 89 HD12 ILE 12 1HD1 ILE 12 -9.561 5.465 2.889 90 HD13 ILE 12 2HD1 ILE 12 -9.777 4.415 1.468 91 H TYR 13 H TYR 13 -4.573 1.433 0.876 92 HA TYR 13 HA TYR 13 -4.025 1.336 -2.019 93 HB2 TYR 13 1HB TYR 13 -2.166 0.892 -0.561 94 HB3 TYR 13 2HB TYR 13 -3.101 -0.295 0.364 95 HD1 TYR 13 2HD TYR 13 -3.763 -2.467 -0.725 96 HD2 TYR 13 1HD TYR 13 -1.002 0.278 -2.538 97 HE1 TYR 13 2HE TYR 13 -2.943 -4.275 -2.212 98 HE2 TYR 13 1HE TYR 13 -0.181 -1.529 -4.025 99 HH TYR 13 HH TYR 13 -0.387 -3.714 -4.650 100 H ASP 14 H ASP 14 -5.817 0.607 -3.190 101 HA ASP 14 HA ASP 14 -7.241 -1.630 -2.016 102 HB2 ASP 14 1HB ASP 14 -8.216 0.637 -3.154 103 HB3 ASP 14 2HB ASP 14 -8.101 -0.348 -4.599 104 HD2 ASP 14 HD ASP 14 -11.404 -0.721 -3.093 105 HA PRO 15 HA PRO 15 -4.642 -4.140 -4.729 106 HB2 PRO 15 2HB PRO 15 -6.698 -6.160 -3.807 107 HB3 PRO 15 3HB PRO 15 -4.906 -6.234 -3.811 108 HG2 PRO 15 2HG PRO 15 -6.344 -5.862 -1.768 109 HG3 PRO 15 3HG PRO 15 -4.783 -4.999 -1.576 110 HD2 PRO 15 2HD PRO 15 -7.524 -3.936 -2.099 111 HD3 PRO 15 3HD PRO 15 -6.062 -3.062 -1.549 112 H ALA 16 H ALA 16 -8.095 -3.410 -4.872 113 HA ALA 16 HA ALA 16 -8.736 -4.985 -7.104 114 HB1 ALA 16 1HB ALA 16 -9.877 -2.371 -6.037 115 HB2 ALA 16 2HB ALA 16 -10.643 -3.367 -7.297 116 HB3 ALA 16 3HB ALA 16 -10.433 -4.018 -5.654 117 H LYS 17 H LYS 17 -6.993 -1.929 -6.678 118 HA LYS 17 HA LYS 17 -6.674 -1.841 -9.593 119 HB2 LYS 17 1HB LYS 17 -6.608 0.729 -8.095 120 HB3 LYS 17 2HB LYS 17 -7.133 0.390 -9.731 121 HG2 LYS 17 1HG LYS 17 -9.239 0.620 -8.860 122 HG3 LYS 17 2HG LYS 17 -9.013 -1.035 -8.332 123 HD2 LYS 17 1HD LYS 17 -9.256 -0.336 -6.190 124 HD3 LYS 17 2HD LYS 17 -7.743 0.534 -6.341 125 HE2 LYS 17 1HE LYS 17 -9.417 2.300 -7.605 126 HE3 LYS 17 2HE LYS 17 -10.551 1.566 -6.489 127 HZ1 LYS 17 2HZ LYS 17 -9.171 2.195 -4.652 128 HZ3 LYS 17 1HZ LYS 17 -9.296 3.525 -5.582 129 H GLY 18 H GLY 18 -5.381 -0.973 -6.333 130 HA2 GLY 18 1HA GLY 18 -3.271 -0.721 -5.595 131 HA3 GLY 18 2HA GLY 18 -2.877 -2.036 -6.684 132 H GLU 19 H GLU 19 -0.844 -1.261 -7.364 133 HA GLU 19 HA GLU 19 -1.044 1.074 -9.084 134 HB2 GLU 19 1HB GLU 19 0.658 0.738 -6.691 135 HB3 GLU 19 2HB GLU 19 1.568 1.197 -8.116 136 HG2 GLU 19 1HG GLU 19 -0.841 2.661 -6.947 137 HG3 GLU 19 2HG GLU 19 0.819 3.223 -6.956 138 HE2 GLU 19 HE GLU 19 0.697 4.136 -10.348 139 HA PRO 20 HA PRO 20 0.514 -3.019 -10.940 140 HB2 PRO 20 2HB PRO 20 -0.821 -2.230 -13.342 141 HB3 PRO 20 3HB PRO 20 -1.396 -3.407 -12.116 142 HG2 PRO 20 2HG PRO 20 -2.114 -0.454 -12.343 143 HG3 PRO 20 3HG PRO 20 -3.250 -1.773 -11.909 144 HD2 PRO 20 2HD PRO 20 -2.221 -0.267 -9.957 145 HD3 PRO 20 3HD PRO 20 -2.177 -2.045 -9.754 146 H MET 21 H MET 21 0.549 0.476 -11.677 147 HA MET 21 HA MET 21 2.538 0.073 -13.709 148 HB2 MET 21 1HB MET 21 1.195 2.521 -12.450 149 HB3 MET 21 2HB MET 21 2.475 2.684 -13.636 150 HG2 MET 21 1HG MET 21 0.549 2.763 -14.991 151 HG3 MET 21 2HG MET 21 1.005 1.076 -15.118 152 HE1 MET 21 3HE MET 21 -1.820 -0.785 -14.262 153 HE2 MET 21 1HE MET 21 -2.017 0.362 -15.609 154 HE3 MET 21 2HE MET 21 -0.428 -0.376 -15.294 155 H GLN 22 H GLN 22 2.932 -0.621 -10.720 156 HA GLN 22 HA GLN 22 5.465 0.774 -10.531 157 HB2 GLN 22 1HB GLN 22 3.721 1.900 -9.047 158 HB3 GLN 22 2HB GLN 22 3.623 0.409 -8.131 159 HG2 GLN 22 1HG GLN 22 6.272 0.654 -7.996 160 HG3 GLN 22 2HG GLN 22 5.947 2.335 -8.369 161 HE21 GLN 22 1HE2 GLN 22 3.698 2.955 -7.109 162 HE22 GLN 22 2HE2 GLN 22 3.822 2.772 -5.391 163 H ASP 23 H ASP 23 4.813 -1.879 -11.504 164 HA ASP 23 HA ASP 23 5.552 -3.912 -11.341 165 HB2 ASP 23 1HB ASP 23 7.189 -2.630 -9.141 166 HB3 ASP 23 2HB ASP 23 7.226 -4.374 -9.307 167 HD2 ASP 23 HD ASP 23 8.083 -1.436 -10.946 168 H VAL 24 H VAL 24 3.205 -2.775 -9.694 169 HA VAL 24 HA VAL 24 2.887 -5.119 -7.983 170 HB VAL 24 HB VAL 24 2.184 -2.321 -7.089 171 HG11 VAL 24 1HG1 VAL 24 2.381 -4.907 -5.510 172 HG12 VAL 24 2HG1 VAL 24 1.808 -3.327 -4.924 173 HG13 VAL 24 3HG1 VAL 24 0.865 -4.220 -6.142 174 HG21 VAL 24 3HG2 VAL 24 4.746 -3.788 -6.947 175 HG22 VAL 24 1HG2 VAL 24 4.407 -2.045 -6.814 176 HG23 VAL 24 2HG2 VAL 24 4.183 -3.106 -5.403 177 H ALA 25 H ALA 25 1.450 -6.056 -9.462 178 HA ALA 25 HA ALA 25 -0.632 -4.529 -10.652 179 HB1 ALA 25 1HB ALA 25 -0.368 -6.313 -12.006 180 HB2 ALA 25 2HB ALA 25 0.462 -7.246 -10.737 181 HB3 ALA 25 3HB ALA 25 -1.316 -7.232 -10.812 182 HA PRO 26 HA PRO 26 -3.876 -4.754 -7.736 183 HB2 PRO 26 2HB PRO 26 -6.029 -5.613 -9.225 184 HB3 PRO 26 3HB PRO 26 -5.268 -4.003 -9.438 185 HG2 PRO 26 2HG PRO 26 -4.850 -6.453 -10.838 186 HG3 PRO 26 3HG PRO 26 -5.101 -4.911 -11.720 187 HD2 PRO 26 2HD PRO 26 -2.616 -5.844 -11.461 188 HD3 PRO 26 3HD PRO 26 -2.905 -4.126 -11.053 189 H GLY 27 H GLY 27 -4.739 -6.213 -6.183 190 HA2 GLY 27 1HA GLY 27 -5.333 -8.201 -5.277 191 HA3 GLY 27 2HA GLY 27 -5.250 -8.949 -6.859 192 H THR 28 H THR 28 -2.765 -7.195 -4.865 193 HA THR 28 HA THR 28 -1.133 -9.646 -5.005 194 HB THR 28 HB THR 28 -0.421 -6.698 -5.368 195 HG1 THR 28 1HG THR 28 0.078 -7.552 -7.408 196 HG21 THR 28 3HG2 THR 28 1.212 -8.207 -3.856 197 HG22 THR 28 1HG2 THR 28 1.631 -8.920 -5.432 198 HG23 THR 28 2HG2 THR 28 1.871 -7.179 -5.151 199 HA PRO 29 HA PRO 29 -1.182 -9.625 -0.653 200 HB2 PRO 29 2HB PRO 29 0.951 -11.277 -0.216 201 HB3 PRO 29 3HB PRO 29 -0.573 -11.861 -0.959 202 HG2 PRO 29 2HG PRO 29 1.704 -10.876 -2.025 203 HG3 PRO 29 3HG PRO 29 1.253 -12.437 -2.785 204 HD2 PRO 29 2HD PRO 29 0.661 -10.380 -4.219 205 HD3 PRO 29 3HD PRO 29 -0.779 -11.330 -3.740 206 H TRP 30 H TRP 30 -0.510 -7.908 0.628 207 HA TRP 30 HA TRP 30 1.424 -6.127 -0.047 208 HB2 TRP 30 1HB TRP 30 -0.155 -5.619 1.648 209 HB3 TRP 30 2HB TRP 30 0.366 -6.959 2.651 210 HD1 TRP 30 HD TRP 30 2.349 -6.461 4.349 211 HE1 TRP 30 1HE TRP 30 3.844 -4.390 5.012 212 HE3 TRP 30 3HE TRP 30 0.923 -3.516 0.456 213 HZ2 TRP 30 2HZ TRP 30 4.253 -1.811 3.861 214 HZ3 TRP 30 3HZ TRP 30 1.918 -1.236 0.299 215 HH2 TRP 30 HH TRP 30 3.529 -0.372 1.921 216 H SER 31 H SER 31 1.735 -9.390 1.258 217 HA SER 31 HA SER 31 4.269 -9.119 2.362 218 HB2 SER 31 1HB SER 31 2.466 -11.335 1.537 219 HB3 SER 31 2HB SER 31 4.168 -11.752 1.526 220 HG SER 31 HG SER 31 3.026 -12.103 3.609 221 H GLU 32 H GLU 32 3.122 -10.143 -0.922 222 HA GLU 32 HA GLU 32 5.668 -10.678 -1.904 223 HB2 GLU 32 1HB GLU 32 3.011 -10.030 -3.225 224 HB3 GLU 32 2HB GLU 32 4.450 -10.329 -4.180 225 HG2 GLU 32 1HG GLU 32 4.721 -12.538 -2.907 226 HG3 GLU 32 2HG GLU 32 3.149 -12.243 -2.191 227 HE2 GLU 32 HE GLU 32 3.241 -14.476 -3.969 228 H VAL 33 H VAL 33 3.685 -7.702 -1.712 229 HA VAL 33 HA VAL 33 4.921 -6.073 -3.486 230 HB VAL 33 HB VAL 33 3.928 -5.509 -0.689 231 HG11 VAL 33 1HG1 VAL 33 3.731 -3.215 -2.387 232 HG12 VAL 33 2HG1 VAL 33 4.628 -3.401 -0.861 233 HG13 VAL 33 3HG1 VAL 33 5.417 -3.787 -2.409 234 HG21 VAL 33 3HG2 VAL 33 2.239 -6.431 -2.200 235 HG22 VAL 33 1HG2 VAL 33 1.904 -4.718 -1.854 236 HG23 VAL 33 2HG2 VAL 33 2.622 -5.187 -3.413 237 HA PRO 34 HA PRO 34 9.182 -6.500 -2.236 238 HB2 PRO 34 2HB PRO 34 9.439 -4.435 -4.410 239 HB3 PRO 34 3HB PRO 34 10.239 -6.028 -4.209 240 HG2 PRO 34 2HG PRO 34 8.235 -5.730 -6.079 241 HG3 PRO 34 3HG PRO 34 8.634 -7.146 -5.053 242 HD2 PRO 34 2HD PRO 34 6.495 -4.984 -4.674 243 HD3 PRO 34 3HD PRO 34 6.327 -6.761 -4.535 244 H ASP 35 H ASP 35 9.983 -5.396 -0.452 245 HA ASP 35 HA ASP 35 8.947 -3.247 0.654 246 HB2 ASP 35 1HB ASP 35 10.760 -4.446 1.723 247 HB3 ASP 35 2HB ASP 35 11.877 -4.045 0.435 248 HD2 ASP 35 HD ASP 35 13.233 -2.561 1.025 249 H ASN 36 H ASN 36 11.023 -3.376 -2.233 250 HA ASN 36 HA ASN 36 12.077 -0.929 -2.388 251 HB2 ASN 36 1HB ASN 36 11.314 -3.022 -4.246 252 HB3 ASN 36 2HB ASN 36 10.903 -1.482 -4.975 253 HD21 ASN 36 1HD2 ASN 36 12.415 -0.680 -6.195 254 HD22 ASN 36 2HD2 ASN 36 14.129 -0.808 -5.980 255 H PHE 37 H PHE 37 8.675 -1.864 -2.493 256 HA PHE 37 HA PHE 37 7.648 0.350 -3.868 257 HB2 PHE 37 1HB PHE 37 6.469 -1.826 -3.358 258 HB3 PHE 37 2HB PHE 37 6.542 -1.469 -1.644 259 HD1 PHE 37 2HD PHE 37 5.115 0.288 -0.679 260 HD2 PHE 37 1HD PHE 37 4.827 -0.782 -4.775 261 HE1 PHE 37 2HE PHE 37 2.892 1.446 -0.825 262 HE2 PHE 37 1HE PHE 37 2.605 0.376 -4.921 263 HZ PHE 37 HZ PHE 37 1.664 1.476 -2.945 264 H LEU 38 H LEU 38 7.055 2.404 -3.225 265 HA LEU 38 HA LEU 38 7.131 2.987 -0.370 266 HB2 LEU 38 1HB LEU 38 8.607 4.699 -2.363 267 HB3 LEU 38 2HB LEU 38 8.579 4.855 -0.617 268 HG LEU 38 HG LEU 38 9.860 2.596 -2.181 269 HD11 LEU 38 1HD1 LEU 38 11.961 3.595 -1.096 270 HD12 LEU 38 2HD1 LEU 38 11.243 4.459 -2.477 271 HD13 LEU 38 3HD1 LEU 38 10.969 5.047 -0.820 272 HD21 LEU 38 3HD2 LEU 38 10.013 1.391 -0.322 273 HD22 LEU 38 1HD2 LEU 38 10.631 2.780 0.604 274 HD23 LEU 38 2HD2 LEU 38 8.876 2.532 0.436 275 H CYS 39 H CYS 39 5.398 4.192 0.228 276 HA CYS 39 HA CYS 39 3.288 4.655 -1.336 277 HB2 CYS 39 1HB CYS 39 3.408 4.966 1.148 278 HB3 CYS 39 2HB CYS 39 4.158 6.528 0.888 279 HA PRO 40 HA PRO 40 4.675 7.697 -4.256 280 HB2 PRO 40 2HB PRO 40 2.257 8.142 -5.462 281 HB3 PRO 40 3HB PRO 40 3.158 6.602 -5.652 282 HG2 PRO 40 2HG PRO 40 1.030 7.280 -3.882 283 HG3 PRO 40 3HG PRO 40 1.053 5.761 -4.835 284 HD2 PRO 40 2HD PRO 40 1.729 5.747 -2.216 285 HD3 PRO 40 3HD PRO 40 2.704 4.804 -3.383 286 H GLU 41 H GLU 41 2.923 8.198 -1.397 287 HA GLU 41 HA GLU 41 2.789 11.045 -2.018 288 HB2 GLU 41 1HB GLU 41 0.782 9.246 -0.703 289 HB3 GLU 41 2HB GLU 41 0.959 10.851 -0.023 290 HG2 GLU 41 1HG GLU 41 0.363 10.206 -2.950 291 HG3 GLU 41 2HG GLU 41 -0.786 10.831 -1.783 292 HE2 GLU 41 HE GLU 41 -0.576 13.635 -2.207 293 H CYS 42 H CYS 42 3.460 8.436 0.339 294 HA CYS 42 HA CYS 42 5.170 10.313 1.753 295 HB2 CYS 42 1HB CYS 42 4.331 9.852 3.899 296 HB3 CYS 42 2HB CYS 42 2.904 10.145 2.925 297 H SER 43 H SER 43 5.889 8.406 -0.210 298 HA SER 43 HA SER 43 6.654 6.271 -0.464 299 HB2 SER 43 1HB SER 43 8.529 8.135 0.928 300 HB3 SER 43 2HB SER 43 9.049 6.463 0.850 301 HG SER 43 HG SER 43 9.121 8.338 -1.109 302 H LEU 44 H LEU 44 8.337 6.651 2.658 303 HA LEU 44 HA LEU 44 7.952 5.687 4.662 304 HB2 LEU 44 1HB LEU 44 5.469 5.483 3.724 305 HB3 LEU 44 2HB LEU 44 5.895 3.785 3.654 306 HG LEU 44 HG LEU 44 6.558 3.962 6.102 307 HD11 LEU 44 1HD1 LEU 44 4.815 6.206 6.663 308 HD12 LEU 44 2HD1 LEU 44 6.478 5.885 7.210 309 HD13 LEU 44 3HD1 LEU 44 6.195 6.698 5.653 310 HD21 LEU 44 3HD2 LEU 44 3.845 4.420 6.546 311 HD22 LEU 44 1HD2 LEU 44 3.930 3.810 4.876 312 HD23 LEU 44 2HD2 LEU 44 4.630 2.859 6.208 313 H GLY 45 H GLY 45 8.827 3.751 5.645 314 HA2 GLY 45 1HA GLY 45 10.367 2.179 3.705 315 HA3 GLY 45 2HA GLY 45 10.696 2.369 5.415 316 H LYS 46 H LYS 46 7.446 1.682 4.058 317 HA LYS 46 HA LYS 46 6.010 0.067 4.583 318 HB2 LYS 46 1HB LYS 46 8.328 -1.772 3.936 319 HB3 LYS 46 2HB LYS 46 6.619 -2.119 3.772 320 HG2 LYS 46 1HG LYS 46 7.059 0.302 2.327 321 HG3 LYS 46 2HG LYS 46 8.397 -0.750 1.910 322 HD2 LYS 46 1HD LYS 46 5.422 -1.313 1.596 323 HD3 LYS 46 2HD LYS 46 6.634 -1.227 0.333 324 HE2 LYS 46 1HE LYS 46 6.965 -3.461 0.531 325 HE3 LYS 46 2HE LYS 46 7.566 -3.213 2.158 326 HZ1 LYS 46 2HZ LYS 46 5.552 -3.796 3.059 327 HZ3 LYS 46 1HZ LYS 46 5.408 -4.653 1.682 328 H ASP 47 H ASP 47 7.734 1.168 6.808 329 HA ASP 47 HA ASP 47 7.618 -1.173 8.539 330 HB2 ASP 47 1HB ASP 47 9.345 -0.211 9.865 331 HB3 ASP 47 2HB ASP 47 9.845 0.088 8.212 332 HD2 ASP 47 HD ASP 47 9.018 3.566 8.536 333 H VAL 48 H VAL 48 5.287 0.445 7.766 334 HA VAL 48 HA VAL 48 4.494 1.317 10.409 335 HB VAL 48 HB VAL 48 4.074 3.181 8.085 336 HG11 VAL 48 1HG1 VAL 48 3.836 3.372 11.092 337 HG12 VAL 48 2HG1 VAL 48 3.950 4.822 10.066 338 HG13 VAL 48 3HG1 VAL 48 2.600 3.681 9.849 339 HG21 VAL 48 3HG2 VAL 48 6.390 3.248 10.050 340 HG22 VAL 48 1HG2 VAL 48 6.497 2.917 8.304 341 HG23 VAL 48 2HG2 VAL 48 5.983 4.522 8.876 342 H PHE 49 H PHE 49 3.534 1.257 6.901 343 HA PHE 49 HA PHE 49 0.962 1.171 6.858 344 HB2 PHE 49 1HB PHE 49 3.102 -0.606 5.693 345 HB3 PHE 49 2HB PHE 49 1.466 -1.204 5.498 346 HD1 PHE 49 1HD PHE 49 3.600 1.769 4.858 347 HD2 PHE 49 2HD PHE 49 0.103 -0.381 3.784 348 HE1 PHE 49 1HE PHE 49 3.290 3.267 2.868 349 HE2 PHE 49 2HE PHE 49 -0.207 1.117 1.794 350 HZ PHE 49 HZ PHE 49 1.390 2.924 1.360 351 H GLU 50 H GLU 50 -0.844 0.014 7.536 352 HA GLU 50 HA GLU 50 -0.369 -2.511 8.847 353 HB2 GLU 50 1HB GLU 50 -1.506 -0.052 10.217 354 HB3 GLU 50 2HB GLU 50 -1.927 -1.662 10.767 355 HG2 GLU 50 1HG GLU 50 0.863 -1.794 10.481 356 HG3 GLU 50 2HG GLU 50 0.602 -0.172 11.092 357 HE2 GLU 50 HE GLU 50 0.479 -0.409 13.654 358 H GLU 51 H GLU 51 -1.749 -3.875 7.803 359 HA GLU 51 HA GLU 51 -4.380 -3.864 7.956 360 HB2 GLU 51 1HB GLU 51 -3.559 -1.804 6.006 361 HB3 GLU 51 2HB GLU 51 -4.688 -2.962 5.332 362 HG2 GLU 51 1HG GLU 51 -5.641 -2.331 7.962 363 HG3 GLU 51 2HG GLU 51 -5.203 -0.809 7.211 364 HE2 GLU 51 HE GLU 51 -7.561 -2.973 7.479 365 H LEU 52 H LEU 52 -5.323 -4.775 5.454 366 HA LEU 52 HA LEU 52 -3.343 -6.838 4.780 367 HB2 LEU 52 1HB LEU 52 -5.533 -8.209 4.347 368 HB3 LEU 52 2HB LEU 52 -4.782 -8.139 5.929 369 HG LEU 52 HG LEU 52 -6.936 -6.161 5.254 370 HD11 LEU 52 1HD1 LEU 52 -7.430 -8.813 4.822 371 HD12 LEU 52 2HD1 LEU 52 -7.899 -8.631 6.530 372 HD13 LEU 52 3HD1 LEU 52 -8.650 -7.603 5.286 373 HD21 LEU 52 3HD2 LEU 52 -6.504 -7.577 7.873 374 HD22 LEU 52 1HD2 LEU 52 -5.478 -6.204 7.393 375 HD23 LEU 52 2HD2 LEU 52 -7.237 -5.988 7.550 376 H ALA 53 H ALA 53 -3.753 -7.820 2.566 377 HA ALA 53 HA ALA 53 -5.234 -6.104 0.767 378 HB1 ALA 53 1HB ALA 53 -3.086 -5.995 -0.699 379 HB2 ALA 53 2HB ALA 53 -3.231 -4.871 0.674 380 HB3 ALA 53 3HB ALA 53 -2.217 -6.326 0.818 381 H SER 54 H SER 54 -4.638 -7.090 -1.639 382 HA SER 54 HA SER 54 -4.798 -8.790 -2.981 383 HB2 SER 54 1HB SER 54 -2.732 -9.640 -1.870 384 HB3 SER 54 2HB SER 54 -3.712 -10.485 -0.688 385 HG SER 54 HG SER 54 -4.645 -11.740 -2.452 386 H GLU 55 H GLU 55 -6.707 -9.740 -3.628 387 HA GLU 55 HA GLU 55 -8.695 -10.156 -1.647 388 HB2 GLU 55 1HB GLU 55 -9.211 -9.185 -3.876 389 HB3 GLU 55 2HB GLU 55 -8.727 -10.679 -4.653 390 HG2 GLU 55 1HG GLU 55 -10.679 -11.201 -2.527 391 HG3 GLU 55 2HG GLU 55 -11.304 -10.028 -3.669 392 HE2 GLU 55 HE GLU 55 -11.490 -11.941 -6.317 393 H ALA 56 H ALA 56 -8.163 -11.917 -0.319 394 HA ALA 56 HA ALA 56 -7.238 -14.367 -1.466 395 HB1 ALA 56 1HB ALA 56 -6.624 -13.434 0.810 396 HB2 ALA 56 2HB ALA 56 -8.276 -13.829 1.341 397 HB3 ALA 56 3HB ALA 56 -7.176 -15.127 0.819 398 H LYS 57 H LYS 57 -10.232 -13.419 0.378 399 HA LYS 57 HA LYS 57 -11.551 -15.755 -0.739 400 HB2 LYS 57 1HB LYS 57 -11.720 -15.356 1.669 401 HB3 LYS 57 2HB LYS 57 -12.410 -13.771 1.388 402 HG2 LYS 57 1HG LYS 57 -14.472 -14.697 1.246 403 HG3 LYS 57 2HG LYS 57 -13.965 -15.606 -0.164 404 HD2 LYS 57 1HD LYS 57 -12.800 -17.022 1.963 405 HD3 LYS 57 2HD LYS 57 -14.347 -16.521 2.618 406 HE2 LYS 57 1HE LYS 57 -15.263 -18.280 1.506 407 HE3 LYS 57 2HE LYS 57 -15.011 -17.371 0.029 408 HZ1 LYS 57 2HZ LYS 57 -13.491 -18.888 -0.575 409 HZ3 LYS 57 1HZ LYS 57 -13.730 -19.737 0.794 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.753 -8.489 0.179 2 HA2 GLY 1 1HA GLY 1 -9.276 -7.391 -1.626 3 HA3 GLY 1 2HA GLY 1 -10.788 -6.659 -2.125 4 HA PRO 2 HA PRO 2 -9.596 -4.788 2.103 5 HB2 PRO 2 2HB PRO 2 -7.360 -5.673 3.392 6 HB3 PRO 2 3HB PRO 2 -8.894 -6.603 3.404 7 HG2 PRO 2 2HG PRO 2 -6.421 -7.283 1.851 8 HG3 PRO 2 3HG PRO 2 -7.761 -8.331 2.420 9 HD2 PRO 2 2HD PRO 2 -7.351 -7.096 -0.217 10 HD3 PRO 2 3HD PRO 2 -8.667 -8.195 0.298 11 H ARG 3 H ARG 3 -8.162 -2.945 2.748 12 HA ARG 3 HA ARG 3 -5.937 -2.586 0.939 13 HB2 ARG 3 1HB ARG 3 -6.744 -0.114 0.690 14 HB3 ARG 3 2HB ARG 3 -7.565 -1.335 -0.262 15 HG2 ARG 3 1HG ARG 3 -8.564 -0.415 2.471 16 HG3 ARG 3 2HG ARG 3 -9.086 0.323 0.970 17 HD2 ARG 3 1HD ARG 3 -9.352 -2.505 0.602 18 HD3 ARG 3 2HD ARG 3 -10.000 -2.156 2.193 19 HE ARG 3 HE ARG 3 -10.947 -0.221 0.253 20 HH11 ARG 3 2HH2 ARG 3 -11.465 -3.540 1.381 21 HH12 ARG 3 1HH2 ARG 3 -13.115 -3.592 0.858 22 HH22 ARG 3 1HH ARG 3 -14.070 -1.670 -0.209 23 H MET 4 H MET 4 -4.240 -1.272 1.834 24 HA MET 4 HA MET 4 -4.459 -0.979 4.679 25 HB2 MET 4 1HB MET 4 -2.086 -0.221 2.905 26 HB3 MET 4 2HB MET 4 -2.043 -0.704 4.589 27 HG2 MET 4 1HG MET 4 -3.314 -2.852 3.196 28 HG3 MET 4 2HG MET 4 -1.948 -2.381 2.205 29 HE1 MET 4 3HE MET 4 -0.083 -5.194 3.919 30 HE2 MET 4 1HE MET 4 -1.633 -5.117 3.047 31 HE3 MET 4 2HE MET 4 -0.232 -4.190 2.457 32 H GLN 5 H GLN 5 -3.147 1.122 5.551 33 HA GLN 5 HA GLN 5 -3.847 3.424 3.963 34 HB2 GLN 5 1HB GLN 5 -5.064 2.772 6.661 35 HB3 GLN 5 2HB GLN 5 -4.860 4.441 6.169 36 HG2 GLN 5 1HG GLN 5 -6.715 4.312 4.875 37 HG3 GLN 5 2HG GLN 5 -5.991 3.024 3.932 38 HE21 GLN 5 1HE2 GLN 5 -6.498 0.917 4.306 39 HE22 GLN 5 2HE2 GLN 5 -7.767 0.388 5.360 40 H CYS 6 H CYS 6 -1.777 4.233 3.787 41 HA CYS 6 HA CYS 6 0.236 3.886 5.609 42 HB2 CYS 6 1HB CYS 6 1.472 5.462 4.375 43 HB3 CYS 6 2HB CYS 6 0.377 4.745 3.209 44 H SER 7 H SER 7 0.729 4.825 7.586 45 HA SER 7 HA SER 7 -1.210 6.654 8.624 46 HB2 SER 7 1HB SER 7 1.291 5.730 10.070 47 HB3 SER 7 2HB SER 7 -0.249 6.201 10.760 48 HG SER 7 HG SER 7 0.555 3.732 9.651 49 H VAL 8 H VAL 8 0.137 7.855 6.489 50 HA VAL 8 HA VAL 8 1.681 9.891 7.913 51 HB VAL 8 HB VAL 8 2.458 8.496 5.346 52 HG11 VAL 8 1HG1 VAL 8 4.372 10.043 5.259 53 HG12 VAL 8 2HG1 VAL 8 2.823 10.909 5.124 54 HG13 VAL 8 3HG1 VAL 8 3.721 10.927 6.660 55 HG21 VAL 8 3HG2 VAL 8 3.759 8.670 8.082 56 HG22 VAL 8 1HG2 VAL 8 3.135 7.219 7.261 57 HG23 VAL 8 2HG2 VAL 8 4.576 8.049 6.628 58 H CYS 9 H CYS 9 0.439 9.076 4.589 59 HA CYS 9 HA CYS 9 -0.880 11.693 4.651 60 HB2 CYS 9 1HB CYS 9 -0.334 12.110 2.437 61 HB3 CYS 9 2HB CYS 9 1.125 11.342 3.031 62 H GLN 10 H GLN 10 -1.652 8.799 5.457 63 HA GLN 10 HA GLN 10 -3.200 7.284 5.050 64 HB2 GLN 10 1HB GLN 10 -4.311 9.750 5.729 65 HB3 GLN 10 2HB GLN 10 -5.295 9.254 4.367 66 HG2 GLN 10 1HG GLN 10 -5.113 6.887 5.803 67 HG3 GLN 10 2HG GLN 10 -5.107 8.076 7.091 68 HE21 GLN 10 1HE2 GLN 10 -6.999 6.205 5.155 69 HE22 GLN 10 2HE2 GLN 10 -8.513 7.040 5.256 70 H TRP 11 H TRP 11 -2.513 6.203 3.144 71 HA TRP 11 HA TRP 11 -3.917 7.091 0.716 72 HB2 TRP 11 1HB TRP 11 -1.433 7.458 0.684 73 HB3 TRP 11 2HB TRP 11 -1.227 5.722 0.812 74 HD1 TRP 11 HD TRP 11 -2.718 8.320 -1.671 75 HE1 TRP 11 1HE TRP 11 -2.692 7.378 -4.136 76 HE3 TRP 11 3HE TRP 11 -1.089 3.665 -0.435 77 HZ2 TRP 11 2HZ TRP 11 -2.009 4.849 -5.267 78 HZ3 TRP 11 3HZ TRP 11 -0.768 2.019 -2.280 79 HH2 TRP 11 HH TRP 11 -1.200 2.548 -4.627 80 H ILE 12 H ILE 12 -5.529 5.655 0.263 81 HA ILE 12 HA ILE 12 -5.489 3.061 1.484 82 HB ILE 12 HB ILE 12 -7.435 4.397 -0.400 83 HG12 ILE 12 1HG1 ILE 12 -7.087 4.379 2.559 84 HG13 ILE 12 2HG1 ILE 12 -7.660 5.651 1.498 85 HG21 ILE 12 1HG2 ILE 12 -8.878 2.619 -0.202 86 HG22 ILE 12 2HG2 ILE 12 -7.309 1.780 -0.257 87 HG23 ILE 12 3HG2 ILE 12 -8.130 2.031 1.302 88 HD11 ILE 12 3HD1 ILE 12 -9.633 5.003 2.602 89 HD12 ILE 12 1HD1 ILE 12 -9.725 4.056 1.097 90 HD13 ILE 12 2HD1 ILE 12 -9.181 3.281 2.605 91 H TYR 13 H TYR 13 -5.101 1.136 0.564 92 HA TYR 13 HA TYR 13 -4.128 1.186 -2.255 93 HB2 TYR 13 1HB TYR 13 -2.306 0.770 -0.746 94 HB3 TYR 13 2HB TYR 13 -3.252 -0.423 0.160 95 HD1 TYR 13 2HD TYR 13 -3.758 -2.641 -0.838 96 HD2 TYR 13 1HD TYR 13 -1.174 0.189 -2.779 97 HE1 TYR 13 2HE TYR 13 -2.871 -4.446 -2.289 98 HE2 TYR 13 1HE TYR 13 -0.287 -1.616 -4.230 99 HH TYR 13 HH TYR 13 -0.084 -4.083 -4.283 100 H ASP 14 H ASP 14 -5.989 0.515 -3.398 101 HA ASP 14 HA ASP 14 -7.394 -1.750 -2.294 102 HB2 ASP 14 1HB ASP 14 -8.118 -0.527 -4.948 103 HB3 ASP 14 2HB ASP 14 -9.174 -1.155 -3.697 104 HD2 ASP 14 HD ASP 14 -9.307 0.297 -1.757 105 HA PRO 15 HA PRO 15 -4.693 -4.366 -4.783 106 HB2 PRO 15 2HB PRO 15 -6.878 -6.320 -4.045 107 HB3 PRO 15 3HB PRO 15 -5.097 -6.437 -3.870 108 HG2 PRO 15 2HG PRO 15 -6.665 -5.910 -1.668 109 HG3 PRO 15 3HG PRO 15 -5.031 -5.304 -2.092 110 HD2 PRO 15 2HD PRO 15 -7.764 -3.952 -2.355 111 HD3 PRO 15 3HD PRO 15 -6.229 -3.270 -1.737 112 H ALA 16 H ALA 16 -8.135 -3.604 -5.197 113 HA ALA 16 HA ALA 16 -8.347 -5.072 -7.656 114 HB1 ALA 16 1HB ALA 16 -10.137 -4.232 -5.799 115 HB2 ALA 16 2HB ALA 16 -10.273 -2.900 -6.972 116 HB3 ALA 16 3HB ALA 16 -10.574 -4.576 -7.490 117 H LYS 17 H LYS 17 -6.724 -2.268 -6.708 118 HA LYS 17 HA LYS 17 -6.672 -1.369 -9.480 119 HB2 LYS 17 1HB LYS 17 -6.749 0.791 -7.442 120 HB3 LYS 17 2HB LYS 17 -7.340 0.772 -9.091 121 HG2 LYS 17 1HG LYS 17 -8.660 -0.811 -6.840 122 HG3 LYS 17 2HG LYS 17 -9.140 0.820 -7.264 123 HD2 LYS 17 1HD LYS 17 -8.987 -0.826 -9.671 124 HD3 LYS 17 2HD LYS 17 -10.004 -1.610 -8.479 125 HE2 LYS 17 1HE LYS 17 -11.088 0.791 -8.196 126 HE3 LYS 17 2HE LYS 17 -10.351 1.123 -9.750 127 HZ1 LYS 17 2HZ LYS 17 -12.248 -1.095 -9.195 128 HZ3 LYS 17 1HZ LYS 17 -11.523 -0.854 -10.633 129 H GLY 18 H GLY 18 -5.369 -0.383 -6.230 130 HA2 GLY 18 1HA GLY 18 -3.255 0.038 -5.577 131 HA3 GLY 18 2HA GLY 18 -2.863 -1.451 -6.414 132 H GLU 19 H GLU 19 -1.056 -1.116 -7.641 133 HA GLU 19 HA GLU 19 -1.205 1.027 -9.564 134 HB2 GLU 19 1HB GLU 19 0.996 0.741 -7.490 135 HB3 GLU 19 2HB GLU 19 1.282 1.560 -9.012 136 HG2 GLU 19 1HG GLU 19 -1.092 2.319 -7.272 137 HG3 GLU 19 2HG GLU 19 0.499 2.975 -6.943 138 HE2 GLU 19 HE GLU 19 -0.285 2.586 -10.408 139 HA PRO 20 HA PRO 20 0.219 -2.977 -11.307 140 HB2 PRO 20 2HB PRO 20 -1.500 -2.128 -13.576 141 HB3 PRO 20 3HB PRO 20 -1.587 -3.590 -12.540 142 HG2 PRO 20 2HG PRO 20 -3.547 -1.578 -12.295 143 HG3 PRO 20 3HG PRO 20 -2.979 -2.642 -10.966 144 HD2 PRO 20 2HD PRO 20 -2.035 0.162 -11.776 145 HD3 PRO 20 3HD PRO 20 -2.475 -0.441 -10.149 146 H MET 21 H MET 21 1.025 0.191 -11.602 147 HA MET 21 HA MET 21 2.552 -0.369 -14.023 148 HB2 MET 21 1HB MET 21 1.335 2.296 -13.106 149 HB3 MET 21 2HB MET 21 2.377 2.121 -14.504 150 HG2 MET 21 1HG MET 21 0.393 1.859 -15.637 151 HG3 MET 21 2HG MET 21 0.516 0.199 -15.088 152 HE1 MET 21 3HE MET 21 -2.748 0.405 -15.148 153 HE2 MET 21 1HE MET 21 -1.347 -0.664 -14.898 154 HE3 MET 21 2HE MET 21 -2.536 -0.436 -13.594 155 H GLN 22 H GLN 22 3.123 -0.702 -11.058 156 HA GLN 22 HA GLN 22 5.562 0.859 -11.108 157 HB2 GLN 22 1HB GLN 22 3.873 2.081 -9.689 158 HB3 GLN 22 2HB GLN 22 3.764 0.673 -8.651 159 HG2 GLN 22 1HG GLN 22 5.874 1.003 -7.728 160 HG3 GLN 22 2HG GLN 22 6.527 1.714 -9.191 161 HE21 GLN 22 1HE2 GLN 22 4.855 2.238 -6.219 162 HE22 GLN 22 2HE2 GLN 22 4.818 3.970 -6.235 163 H ASP 23 H ASP 23 4.422 -2.062 -11.400 164 HA ASP 23 HA ASP 23 5.491 -3.983 -11.175 165 HB2 ASP 23 1HB ASP 23 7.508 -2.464 -10.300 166 HB3 ASP 23 2HB ASP 23 7.034 -3.083 -8.731 167 HD2 ASP 23 HD ASP 23 8.604 -4.732 -8.327 168 H VAL 24 H VAL 24 3.035 -3.042 -9.859 169 HA VAL 24 HA VAL 24 2.872 -5.056 -7.794 170 HB VAL 24 HB VAL 24 2.178 -2.168 -7.224 171 HG11 VAL 24 1HG1 VAL 24 1.804 -2.992 -4.911 172 HG12 VAL 24 2HG1 VAL 24 0.678 -3.706 -6.091 173 HG13 VAL 24 3HG1 VAL 24 2.057 -4.657 -5.489 174 HG21 VAL 24 3HG2 VAL 24 4.025 -2.356 -5.514 175 HG22 VAL 24 1HG2 VAL 24 4.515 -3.870 -6.311 176 HG23 VAL 24 2HG2 VAL 24 4.564 -2.335 -7.211 177 H ALA 25 H ALA 25 1.517 -6.139 -9.309 178 HA ALA 25 HA ALA 25 -0.668 -4.813 -10.528 179 HB1 ALA 25 1HB ALA 25 -1.073 -7.649 -10.353 180 HB2 ALA 25 2HB ALA 25 -0.552 -6.687 -11.757 181 HB3 ALA 25 3HB ALA 25 0.659 -7.348 -10.633 182 HA PRO 26 HA PRO 26 -3.899 -5.026 -7.599 183 HB2 PRO 26 2HB PRO 26 -5.961 -6.254 -8.969 184 HB3 PRO 26 3HB PRO 26 -5.375 -4.599 -9.336 185 HG2 PRO 26 2HG PRO 26 -4.713 -7.104 -10.539 186 HG3 PRO 26 3HG PRO 26 -5.121 -5.659 -11.520 187 HD2 PRO 26 2HD PRO 26 -2.553 -6.323 -11.223 188 HD3 PRO 26 3HD PRO 26 -3.011 -4.617 -10.938 189 H GLY 27 H GLY 27 -5.107 -6.483 -6.111 190 HA2 GLY 27 1HA GLY 27 -5.193 -8.328 -4.826 191 HA3 GLY 27 2HA GLY 27 -5.335 -9.208 -6.335 192 H THR 28 H THR 28 -2.669 -7.386 -4.645 193 HA THR 28 HA THR 28 -0.983 -9.767 -5.067 194 HB THR 28 HB THR 28 -0.245 -6.792 -5.025 195 HG1 THR 28 1HG THR 28 -0.219 -7.140 -7.277 196 HG21 THR 28 3HG2 THR 28 1.466 -9.135 -5.958 197 HG22 THR 28 1HG2 THR 28 1.977 -7.466 -5.609 198 HG23 THR 28 2HG2 THR 28 1.543 -8.562 -4.275 199 HA PRO 29 HA PRO 29 -0.695 -10.172 -0.748 200 HB2 PRO 29 2HB PRO 29 1.606 -11.641 -0.616 201 HB3 PRO 29 3HB PRO 29 0.090 -12.299 -1.314 202 HG2 PRO 29 2HG PRO 29 2.141 -10.965 -2.412 203 HG3 PRO 29 3HG PRO 29 1.880 -12.469 -3.353 204 HD2 PRO 29 2HD PRO 29 0.850 -10.467 -4.520 205 HD3 PRO 29 3HD PRO 29 -0.429 -11.574 -3.935 206 H TRP 30 H TRP 30 -0.241 -8.260 0.380 207 HA TRP 30 HA TRP 30 1.638 -6.416 -0.202 208 HB2 TRP 30 1HB TRP 30 -0.043 -6.022 1.445 209 HB3 TRP 30 2HB TRP 30 0.574 -7.293 2.481 210 HD1 TRP 30 HD TRP 30 2.341 -6.537 4.285 211 HE1 TRP 30 1HE TRP 30 3.700 -4.358 4.892 212 HE3 TRP 30 3HE TRP 30 1.070 -3.944 0.099 213 HZ2 TRP 30 2HZ TRP 30 4.082 -1.851 3.584 214 HZ3 TRP 30 3HZ TRP 30 1.979 -1.637 -0.158 215 HH2 TRP 30 HH TRP 30 3.437 -0.587 1.499 216 H SER 31 H SER 31 2.057 -9.643 1.191 217 HA SER 31 HA SER 31 4.564 -9.220 2.320 218 HB2 SER 31 1HB SER 31 4.754 -11.734 2.172 219 HB3 SER 31 2HB SER 31 3.281 -11.171 2.936 220 HG SER 31 HG SER 31 2.102 -12.037 1.363 221 H GLU 32 H GLU 32 3.503 -10.457 -0.921 222 HA GLU 32 HA GLU 32 6.068 -10.940 -1.857 223 HB2 GLU 32 1HB GLU 32 3.886 -11.788 -2.836 224 HB3 GLU 32 2HB GLU 32 3.610 -10.190 -3.500 225 HG2 GLU 32 1HG GLU 32 5.976 -10.439 -4.587 226 HG3 GLU 32 2HG GLU 32 5.838 -12.141 -4.193 227 HE2 GLU 32 HE GLU 32 2.720 -12.170 -5.204 228 H VAL 33 H VAL 33 3.996 -8.013 -1.830 229 HA VAL 33 HA VAL 33 5.184 -6.412 -3.637 230 HB VAL 33 HB VAL 33 4.208 -5.806 -0.845 231 HG11 VAL 33 1HG1 VAL 33 4.266 -3.502 -1.264 232 HG12 VAL 33 2HG1 VAL 33 5.835 -4.079 -1.876 233 HG13 VAL 33 3HG1 VAL 33 4.512 -3.728 -3.013 234 HG21 VAL 33 3HG2 VAL 33 2.650 -6.779 -2.633 235 HG22 VAL 33 1HG2 VAL 33 2.136 -5.270 -1.841 236 HG23 VAL 33 2HG2 VAL 33 2.836 -5.222 -3.477 237 HA PRO 34 HA PRO 34 9.428 -6.200 -2.498 238 HB2 PRO 34 2HB PRO 34 9.566 -3.897 -4.362 239 HB3 PRO 34 3HB PRO 34 10.253 -5.548 -4.509 240 HG2 PRO 34 2HG PRO 34 8.038 -4.819 -6.202 241 HG3 PRO 34 3HG PRO 34 8.624 -6.331 -5.435 242 HD2 PRO 34 2HD PRO 34 6.549 -4.314 -4.374 243 HD3 PRO 34 3HD PRO 34 6.295 -6.049 -4.736 244 H ASP 35 H ASP 35 10.011 -5.292 -0.524 245 HA ASP 35 HA ASP 35 8.820 -3.274 0.710 246 HB2 ASP 35 1HB ASP 35 11.195 -2.807 1.733 247 HB3 ASP 35 2HB ASP 35 10.462 -4.380 1.971 248 HD2 ASP 35 HD ASP 35 13.860 -4.977 1.021 249 H ASN 36 H ASN 36 11.063 -3.116 -2.029 250 HA ASN 36 HA ASN 36 12.101 -0.639 -1.827 251 HB2 ASN 36 1HB ASN 36 11.808 -2.603 -3.850 252 HB3 ASN 36 2HB ASN 36 11.108 -1.161 -4.557 253 HD21 ASN 36 1HD2 ASN 36 12.465 -0.033 -5.700 254 HD22 ASN 36 2HD2 ASN 36 14.156 0.204 -5.406 255 H PHE 37 H PHE 37 8.795 -1.685 -2.739 256 HA PHE 37 HA PHE 37 7.885 0.681 -3.868 257 HB2 PHE 37 1HB PHE 37 6.699 -1.505 -3.940 258 HB3 PHE 37 2HB PHE 37 6.591 -1.546 -2.191 259 HD1 PHE 37 2HD PHE 37 5.102 0.123 -1.026 260 HD2 PHE 37 1HD PHE 37 5.048 -0.418 -5.235 261 HE1 PHE 37 2HE PHE 37 2.852 1.230 -1.140 262 HE2 PHE 37 1HE PHE 37 2.798 0.689 -5.348 263 HZ PHE 37 HZ PHE 37 1.727 1.500 -3.299 264 H LEU 38 H LEU 38 6.694 2.468 -3.028 265 HA LEU 38 HA LEU 38 6.438 2.669 -0.155 266 HB2 LEU 38 1HB LEU 38 7.813 4.980 -1.391 267 HB3 LEU 38 2HB LEU 38 7.904 4.345 0.240 268 HG LEU 38 HG LEU 38 9.146 2.855 -2.068 269 HD11 LEU 38 1HD1 LEU 38 10.759 4.346 -2.363 270 HD12 LEU 38 2HD1 LEU 38 9.878 5.470 -1.300 271 HD13 LEU 38 3HD1 LEU 38 11.107 4.377 -0.617 272 HD21 LEU 38 3HD2 LEU 38 8.816 2.246 0.618 273 HD22 LEU 38 1HD2 LEU 38 9.950 1.475 -0.517 274 HD23 LEU 38 2HD2 LEU 38 10.498 2.819 0.514 275 H CYS 39 H CYS 39 4.897 4.277 0.480 276 HA CYS 39 HA CYS 39 2.795 4.578 -1.259 277 HB2 CYS 39 1HB CYS 39 2.357 4.773 1.058 278 HB3 CYS 39 2HB CYS 39 3.553 6.035 1.277 279 HA PRO 40 HA PRO 40 4.608 7.727 -3.879 280 HB2 PRO 40 2HB PRO 40 2.586 7.724 -5.729 281 HB3 PRO 40 3HB PRO 40 3.776 6.389 -5.598 282 HG2 PRO 40 2HG PRO 40 1.133 6.610 -4.548 283 HG3 PRO 40 3HG PRO 40 1.759 5.148 -5.379 284 HD2 PRO 40 2HD PRO 40 1.591 5.268 -2.665 285 HD3 PRO 40 3HD PRO 40 3.009 4.508 -3.449 286 H GLU 41 H GLU 41 4.184 9.236 -1.917 287 HA GLU 41 HA GLU 41 2.855 11.429 -2.683 288 HB2 GLU 41 1HB GLU 41 0.912 9.473 -2.040 289 HB3 GLU 41 2HB GLU 41 0.928 10.556 -0.663 290 HG2 GLU 41 1HG GLU 41 -0.669 11.240 -2.517 291 HG3 GLU 41 2HG GLU 41 0.470 12.487 -2.047 292 HE2 GLU 41 HE GLU 41 0.305 11.126 -5.691 293 H CYS 42 H CYS 42 3.820 9.215 -0.093 294 HA CYS 42 HA CYS 42 4.782 11.531 1.385 295 HB2 CYS 42 1HB CYS 42 3.936 10.810 3.479 296 HB3 CYS 42 2HB CYS 42 2.579 10.774 2.372 297 H SER 43 H SER 43 4.646 7.934 0.962 298 HA SER 43 HA SER 43 6.418 6.629 0.527 299 HB2 SER 43 1HB SER 43 7.846 8.845 0.410 300 HB3 SER 43 2HB SER 43 8.323 8.431 2.045 301 HG SER 43 HG SER 43 9.567 7.583 -0.015 302 H LEU 44 H LEU 44 7.713 5.082 1.953 303 HA LEU 44 HA LEU 44 7.721 5.347 4.732 304 HB2 LEU 44 1HB LEU 44 5.246 5.198 4.338 305 HB3 LEU 44 2HB LEU 44 5.494 3.574 3.728 306 HG LEU 44 HG LEU 44 6.778 3.683 6.255 307 HD11 LEU 44 1HD1 LEU 44 5.260 4.547 7.782 308 HD12 LEU 44 2HD1 LEU 44 5.236 5.755 6.474 309 HD13 LEU 44 3HD1 LEU 44 3.923 4.560 6.607 310 HD21 LEU 44 3HD2 LEU 44 5.729 1.723 6.517 311 HD22 LEU 44 1HD2 LEU 44 4.128 2.415 6.161 312 HD23 LEU 44 2HD2 LEU 44 5.213 1.950 4.828 313 H GLY 45 H GLY 45 8.621 3.413 5.771 314 HA2 GLY 45 1HA GLY 45 10.321 1.972 3.931 315 HA3 GLY 45 2HA GLY 45 10.346 1.923 5.682 316 H LYS 46 H LYS 46 7.132 1.580 4.522 317 HA LYS 46 HA LYS 46 5.749 -0.128 4.281 318 HB2 LYS 46 1HB LYS 46 8.166 -1.900 3.827 319 HB3 LYS 46 2HB LYS 46 6.505 -2.256 3.400 320 HG2 LYS 46 1HG LYS 46 7.655 0.309 2.333 321 HG3 LYS 46 2HG LYS 46 8.272 -1.179 1.643 322 HD2 LYS 46 1HD LYS 46 5.312 -1.122 1.923 323 HD3 LYS 46 2HD LYS 46 5.944 0.103 0.841 324 HE2 LYS 46 1HE LYS 46 5.542 -1.845 -0.518 325 HE3 LYS 46 2HE LYS 46 7.281 -1.737 -0.329 326 HZ1 LYS 46 2HZ LYS 46 6.989 -3.901 0.297 327 HZ3 LYS 46 1HZ LYS 46 5.452 -3.705 0.798 328 H ASP 47 H ASP 47 7.584 0.559 6.806 329 HA ASP 47 HA ASP 47 6.828 -1.834 8.281 330 HB2 ASP 47 1HB ASP 47 8.485 -1.109 9.967 331 HB3 ASP 47 2HB ASP 47 9.231 -1.257 8.388 332 HD2 ASP 47 HD ASP 47 10.403 0.161 10.260 333 H VAL 48 H VAL 48 4.647 -0.317 7.801 334 HA VAL 48 HA VAL 48 3.948 0.698 10.358 335 HB VAL 48 HB VAL 48 4.547 2.591 8.108 336 HG11 VAL 48 1HG1 VAL 48 3.221 4.315 9.442 337 HG12 VAL 48 2HG1 VAL 48 2.275 3.136 8.503 338 HG13 VAL 48 3HG1 VAL 48 2.449 2.938 10.263 339 HG21 VAL 48 3HG2 VAL 48 5.193 3.917 10.337 340 HG22 VAL 48 1HG2 VAL 48 5.308 2.260 10.977 341 HG23 VAL 48 2HG2 VAL 48 6.293 2.744 9.575 342 H PHE 49 H PHE 49 3.214 0.708 6.810 343 HA PHE 49 HA PHE 49 0.660 1.055 6.585 344 HB2 PHE 49 1HB PHE 49 2.617 -0.958 5.563 345 HB3 PHE 49 2HB PHE 49 0.957 -1.491 5.385 346 HD1 PHE 49 1HD PHE 49 3.063 1.524 4.736 347 HD2 PHE 49 2HD PHE 49 -0.182 -0.898 3.467 348 HE1 PHE 49 1HE PHE 49 2.840 2.912 2.656 349 HE2 PHE 49 2HE PHE 49 -0.405 0.490 1.388 350 HZ PHE 49 HZ PHE 49 1.108 2.379 1.007 351 H GLU 50 H GLU 50 -1.362 0.137 7.058 352 HA GLU 50 HA GLU 50 -1.645 -1.119 9.438 353 HB2 GLU 50 1HB GLU 50 -3.441 -1.020 6.991 354 HB3 GLU 50 2HB GLU 50 -3.962 -1.807 8.467 355 HG2 GLU 50 1HG GLU 50 -2.789 0.870 8.946 356 HG3 GLU 50 2HG GLU 50 -4.196 0.921 7.902 357 HE2 GLU 50 HE GLU 50 -5.751 1.520 9.279 358 H GLU 51 H GLU 51 -3.238 -3.040 6.976 359 HA GLU 51 HA GLU 51 -1.532 -4.966 6.342 360 HB2 GLU 51 1HB GLU 51 -1.945 -6.757 8.137 361 HB3 GLU 51 2HB GLU 51 -0.836 -5.468 8.562 362 HG2 GLU 51 1HG GLU 51 -2.861 -4.252 9.614 363 HG3 GLU 51 2HG GLU 51 -3.752 -5.747 9.406 364 HE2 GLU 51 HE GLU 51 -2.202 -5.503 12.683 365 H LEU 52 H LEU 52 -3.459 -4.263 4.862 366 HA LEU 52 HA LEU 52 -5.364 -6.431 4.959 367 HB2 LEU 52 1HB LEU 52 -6.048 -3.871 5.969 368 HB3 LEU 52 2HB LEU 52 -6.859 -4.048 4.425 369 HG LEU 52 HG LEU 52 -7.787 -6.241 5.236 370 HD11 LEU 52 1HD1 LEU 52 -6.406 -6.986 6.941 371 HD12 LEU 52 2HD1 LEU 52 -6.347 -5.394 7.735 372 HD13 LEU 52 3HD1 LEU 52 -7.825 -6.381 7.829 373 HD21 LEU 52 3HD2 LEU 52 -9.632 -5.248 6.190 374 HD22 LEU 52 1HD2 LEU 52 -8.663 -4.091 7.134 375 HD23 LEU 52 2HD2 LEU 52 -8.866 -3.860 5.381 376 H ALA 53 H ALA 53 -4.235 -7.162 3.094 377 HA ALA 53 HA ALA 53 -5.055 -5.751 0.701 378 HB1 ALA 53 1HB ALA 53 -2.701 -5.902 -0.211 379 HB2 ALA 53 2HB ALA 53 -2.914 -4.711 1.095 380 HB3 ALA 53 3HB ALA 53 -2.152 -6.282 1.439 381 H SER 54 H SER 54 -4.436 -7.173 -1.289 382 HA SER 54 HA SER 54 -4.772 -9.053 -2.325 383 HB2 SER 54 1HB SER 54 -3.503 -11.078 -1.483 384 HB3 SER 54 2HB SER 54 -2.533 -9.628 -1.646 385 HG SER 54 HG SER 54 -2.286 -9.479 0.511 386 H GLU 55 H GLU 55 -4.609 -11.022 0.625 387 HA GLU 55 HA GLU 55 -6.135 -11.985 1.867 388 HB2 GLU 55 1HB GLU 55 -7.567 -9.698 1.007 389 HB3 GLU 55 2HB GLU 55 -8.647 -11.044 0.706 390 HG2 GLU 55 1HG GLU 55 -7.947 -11.818 3.141 391 HG3 GLU 55 2HG GLU 55 -7.428 -10.155 3.336 392 HE2 GLU 55 HE GLU 55 -10.995 -11.592 3.090 393 H ALA 56 H ALA 56 -6.148 -14.135 1.368 394 HA ALA 56 HA ALA 56 -7.926 -15.016 -0.741 395 HB1 ALA 56 1HB ALA 56 -4.917 -15.288 -0.810 396 HB2 ALA 56 2HB ALA 56 -5.953 -16.527 -1.558 397 HB3 ALA 56 3HB ALA 56 -6.037 -14.840 -2.119 398 H LYS 57 H LYS 57 -7.454 -17.681 -0.777 399 HA LYS 57 HA LYS 57 -7.068 -18.563 1.962 400 HB2 LYS 57 1HB LYS 57 -9.200 -19.673 2.116 401 HB3 LYS 57 2HB LYS 57 -9.462 -17.966 1.825 402 HG2 LYS 57 1HG LYS 57 -9.535 -18.651 -0.722 403 HG3 LYS 57 2HG LYS 57 -9.783 -20.277 -0.117 404 HD2 LYS 57 1HD LYS 57 -11.950 -19.844 0.424 405 HD3 LYS 57 2HD LYS 57 -11.517 -18.387 1.296 406 HE2 LYS 57 1HE LYS 57 -12.550 -17.250 -0.388 407 HE3 LYS 57 2HE LYS 57 -11.129 -17.606 -1.349 408 HZ1 LYS 57 2HZ LYS 57 -12.199 -19.423 -2.352 409 HZ3 LYS 57 1HZ LYS 57 -13.404 -18.331 -2.259 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -12.220 -7.419 0.015 2 HA2 GLY 1 1HA GLY 1 -9.654 -7.064 -1.415 3 HA3 GLY 1 2HA GLY 1 -11.043 -6.034 -1.701 4 HA PRO 2 HA PRO 2 -9.188 -4.930 2.557 5 HB2 PRO 2 2HB PRO 2 -6.905 -6.112 3.382 6 HB3 PRO 2 3HB PRO 2 -8.458 -7.010 3.400 7 HG2 PRO 2 2HG PRO 2 -6.383 -6.960 1.593 8 HG3 PRO 2 3HG PRO 2 -7.080 -8.608 1.718 9 HD2 PRO 2 2HD PRO 2 -7.540 -6.965 -0.440 10 HD3 PRO 2 3HD PRO 2 -8.802 -8.072 0.181 11 H ARG 3 H ARG 3 -8.189 -2.906 2.683 12 HA ARG 3 HA ARG 3 -5.911 -2.575 0.898 13 HB2 ARG 3 1HB ARG 3 -6.728 -0.076 0.872 14 HB3 ARG 3 2HB ARG 3 -7.580 -1.241 -0.121 15 HG2 ARG 3 1HG ARG 3 -8.461 -0.556 2.717 16 HG3 ARG 3 2HG ARG 3 -9.043 0.320 1.315 17 HD2 ARG 3 1HD ARG 3 -9.302 -2.502 0.754 18 HD3 ARG 3 2HD ARG 3 -9.968 -2.213 2.349 19 HE ARG 3 HE ARG 3 -11.181 -1.445 -0.119 20 HH11 ARG 3 2HH2 ARG 3 -10.579 -0.104 3.105 21 HH12 ARG 3 1HH2 ARG 3 -11.959 0.942 3.063 22 HH22 ARG 3 1HH ARG 3 -13.369 0.948 1.126 23 H MET 4 H MET 4 -4.160 -1.244 1.699 24 HA MET 4 HA MET 4 -4.251 -0.969 4.584 25 HB2 MET 4 1HB MET 4 -1.883 -0.738 2.645 26 HB3 MET 4 2HB MET 4 -1.771 -0.870 4.389 27 HG2 MET 4 1HG MET 4 -3.363 -3.086 3.570 28 HG3 MET 4 2HG MET 4 -2.060 -2.996 2.402 29 HE1 MET 4 3HE MET 4 -1.145 -5.306 3.181 30 HE2 MET 4 1HE MET 4 0.105 -4.107 2.769 31 HE3 MET 4 2HE MET 4 0.314 -5.160 4.189 32 H GLN 5 H GLN 5 -3.575 1.002 5.653 33 HA GLN 5 HA GLN 5 -3.474 3.299 3.867 34 HB2 GLN 5 1HB GLN 5 -5.102 3.074 6.437 35 HB3 GLN 5 2HB GLN 5 -4.862 4.565 5.548 36 HG2 GLN 5 1HG GLN 5 -6.638 4.028 4.247 37 HG3 GLN 5 2HG GLN 5 -5.718 2.683 3.601 38 HE21 GLN 5 1HE2 GLN 5 -5.930 0.619 4.482 39 HE22 GLN 5 2HE2 GLN 5 -7.296 0.145 5.436 40 H CYS 6 H CYS 6 -1.721 4.597 4.251 41 HA CYS 6 HA CYS 6 -0.008 3.904 6.425 42 HB2 CYS 6 1HB CYS 6 1.135 6.128 5.342 43 HB3 CYS 6 2HB CYS 6 1.393 4.494 4.765 44 H SER 7 H SER 7 0.178 4.988 8.390 45 HA SER 7 HA SER 7 -1.835 6.921 8.942 46 HB2 SER 7 1HB SER 7 -1.176 6.690 11.234 47 HB3 SER 7 2HB SER 7 -1.056 5.089 10.533 48 HG SER 7 HG SER 7 1.081 5.081 10.816 49 H VAL 8 H VAL 8 -0.486 8.160 7.005 50 HA VAL 8 HA VAL 8 0.896 10.274 8.424 51 HB VAL 8 HB VAL 8 2.149 8.675 6.185 52 HG11 VAL 8 1HG1 VAL 8 4.041 10.280 6.365 53 HG12 VAL 8 2HG1 VAL 8 2.543 11.029 5.762 54 HG13 VAL 8 3HG1 VAL 8 3.050 11.284 7.450 55 HG21 VAL 8 3HG2 VAL 8 2.929 9.134 9.080 56 HG22 VAL 8 1HG2 VAL 8 2.489 7.595 8.301 57 HG23 VAL 8 2HG2 VAL 8 4.007 8.414 7.860 58 H CYS 9 H CYS 9 0.092 9.006 5.109 59 HA CYS 9 HA CYS 9 -0.930 11.685 4.522 60 HB2 CYS 9 1HB CYS 9 -0.345 11.418 2.297 61 HB3 CYS 9 2HB CYS 9 0.969 10.596 3.114 62 H GLN 10 H GLN 10 -1.569 8.170 4.646 63 HA GLN 10 HA GLN 10 -3.478 7.115 4.885 64 HB2 GLN 10 1HB GLN 10 -4.321 9.677 5.506 65 HB3 GLN 10 2HB GLN 10 -5.361 9.291 4.150 66 HG2 GLN 10 1HG GLN 10 -5.340 6.936 5.729 67 HG3 GLN 10 2HG GLN 10 -5.429 8.247 6.889 68 HE21 GLN 10 1HE2 GLN 10 -7.196 6.196 5.076 69 HE22 GLN 10 2HE2 GLN 10 -8.682 7.070 4.904 70 H TRP 11 H TRP 11 -2.283 6.465 2.728 71 HA TRP 11 HA TRP 11 -4.015 7.079 0.442 72 HB2 TRP 11 1HB TRP 11 -1.629 7.624 0.205 73 HB3 TRP 11 2HB TRP 11 -1.211 5.951 0.516 74 HD1 TRP 11 HD TRP 11 -3.112 8.031 -2.175 75 HE1 TRP 11 1HE TRP 11 -3.007 6.833 -4.523 76 HE3 TRP 11 3HE TRP 11 -0.780 3.828 -0.514 77 HZ2 TRP 11 2HZ TRP 11 -1.984 4.318 -5.404 78 HZ3 TRP 11 3HZ TRP 11 -0.264 2.050 -2.183 79 HH2 TRP 11 HH TRP 11 -0.828 2.244 -4.554 80 H ILE 12 H ILE 12 -5.627 5.581 0.225 81 HA ILE 12 HA ILE 12 -5.369 2.992 1.387 82 HB ILE 12 HB ILE 12 -7.489 3.990 -0.511 83 HG12 ILE 12 1HG1 ILE 12 -7.025 4.603 2.392 84 HG13 ILE 12 2HG1 ILE 12 -7.513 5.672 1.092 85 HG21 ILE 12 1HG2 ILE 12 -7.522 1.586 -0.099 86 HG22 ILE 12 2HG2 ILE 12 -7.533 1.873 1.658 87 HG23 ILE 12 3HG2 ILE 12 -8.919 2.383 0.664 88 HD11 ILE 12 3HD1 ILE 12 -9.214 3.504 2.402 89 HD12 ILE 12 1HD1 ILE 12 -9.453 5.265 2.502 90 HD13 ILE 12 2HD1 ILE 12 -9.715 4.418 0.959 91 H TYR 13 H TYR 13 -4.440 1.286 0.554 92 HA TYR 13 HA TYR 13 -3.607 1.336 -2.272 93 HB2 TYR 13 1HB TYR 13 -1.915 0.752 -0.672 94 HB3 TYR 13 2HB TYR 13 -2.970 -0.445 0.097 95 HD1 TYR 13 1HD TYR 13 -0.835 0.287 -2.820 96 HD2 TYR 13 2HD TYR 13 -3.327 -2.634 -0.894 97 HE1 TYR 13 1HE TYR 13 0.077 -1.473 -4.310 98 HE2 TYR 13 2HE TYR 13 -2.415 -4.394 -2.384 99 HH TYR 13 HH TYR 13 -0.665 -4.895 -3.882 100 H ASP 14 H ASP 14 -5.867 1.081 -3.140 101 HA ASP 14 HA ASP 14 -7.383 -1.129 -2.422 102 HB2 ASP 14 1HB ASP 14 -8.146 0.947 -3.689 103 HB3 ASP 14 2HB ASP 14 -7.334 0.321 -5.110 104 HD2 ASP 14 HD ASP 14 -9.833 -2.471 -4.345 105 HA PRO 15 HA PRO 15 -4.648 -4.143 -4.381 106 HB2 PRO 15 2HB PRO 15 -6.883 -5.971 -3.562 107 HB3 PRO 15 3HB PRO 15 -5.138 -6.001 -3.148 108 HG2 PRO 15 2HG PRO 15 -7.047 -5.299 -1.408 109 HG3 PRO 15 3HG PRO 15 -5.396 -4.604 -1.320 110 HD2 PRO 15 2HD PRO 15 -7.972 -3.434 -2.421 111 HD3 PRO 15 3HD PRO 15 -6.608 -2.607 -1.611 112 H ALA 16 H ALA 16 -8.161 -3.598 -4.949 113 HA ALA 16 HA ALA 16 -8.362 -5.294 -7.178 114 HB1 ALA 16 1HB ALA 16 -10.322 -4.529 -5.982 115 HB2 ALA 16 2HB ALA 16 -9.911 -2.827 -6.300 116 HB3 ALA 16 3HB ALA 16 -10.403 -3.889 -7.640 117 H LYS 17 H LYS 17 -6.683 -2.317 -6.653 118 HA LYS 17 HA LYS 17 -6.267 -2.114 -9.541 119 HB2 LYS 17 1HB LYS 17 -6.298 0.466 -8.116 120 HB3 LYS 17 2HB LYS 17 -6.902 0.044 -9.706 121 HG2 LYS 17 1HG LYS 17 -8.286 -0.756 -7.103 122 HG3 LYS 17 2HG LYS 17 -8.703 0.676 -8.023 123 HD2 LYS 17 1HD LYS 17 -8.620 -1.614 -9.815 124 HD3 LYS 17 2HD LYS 17 -9.628 -2.002 -8.435 125 HE2 LYS 17 1HE LYS 17 -11.236 -0.438 -8.987 126 HE3 LYS 17 2HE LYS 17 -10.062 0.726 -9.567 127 HZ1 LYS 17 2HZ LYS 17 -10.173 -1.613 -11.227 128 HZ3 LYS 17 1HZ LYS 17 -10.297 -0.048 -11.659 129 H GLY 18 H GLY 18 -5.127 -0.157 -6.725 130 HA2 GLY 18 1HA GLY 18 -3.090 -0.055 -5.740 131 HA3 GLY 18 2HA GLY 18 -2.603 -1.507 -6.591 132 H GLU 19 H GLU 19 -0.697 -1.020 -7.618 133 HA GLU 19 HA GLU 19 -0.831 1.179 -9.499 134 HB2 GLU 19 1HB GLU 19 1.086 0.907 -7.207 135 HB3 GLU 19 2HB GLU 19 1.750 1.471 -8.727 136 HG2 GLU 19 1HG GLU 19 -0.653 2.705 -7.297 137 HG3 GLU 19 2HG GLU 19 0.974 3.356 -7.275 138 HE2 GLU 19 HE GLU 19 0.747 4.578 -10.552 139 HA PRO 20 HA PRO 20 0.542 -3.078 -11.034 140 HB2 PRO 20 2HB PRO 20 -0.839 -2.587 -13.448 141 HB3 PRO 20 3HB PRO 20 -1.481 -3.475 -12.028 142 HG2 PRO 20 2HG PRO 20 -1.902 -0.513 -12.678 143 HG3 PRO 20 3HG PRO 20 -3.188 -1.640 -12.139 144 HD2 PRO 20 2HD PRO 20 -2.050 -0.084 -10.313 145 HD3 PRO 20 3HD PRO 20 -2.144 -1.833 -9.948 146 H MET 21 H MET 21 0.722 0.332 -11.998 147 HA MET 21 HA MET 21 2.598 -0.326 -14.088 148 HB2 MET 21 1HB MET 21 1.243 2.211 -13.070 149 HB3 MET 21 2HB MET 21 2.609 2.334 -14.161 150 HG2 MET 21 1HG MET 21 0.817 2.298 -15.678 151 HG3 MET 21 2HG MET 21 1.267 0.604 -15.648 152 HE1 MET 21 3HE MET 21 -0.862 -0.790 -16.037 153 HE2 MET 21 1HE MET 21 0.047 -1.243 -14.576 154 HE3 MET 21 2HE MET 21 -1.731 -1.185 -14.536 155 H GLN 22 H GLN 22 3.086 -0.757 -11.077 156 HA GLN 22 HA GLN 22 5.641 0.611 -11.086 157 HB2 GLN 22 1HB GLN 22 3.865 1.819 -9.628 158 HB3 GLN 22 2HB GLN 22 3.970 0.440 -8.552 159 HG2 GLN 22 1HG GLN 22 6.610 0.910 -8.763 160 HG3 GLN 22 2HG GLN 22 6.063 2.521 -9.183 161 HE21 GLN 22 1HE2 GLN 22 4.860 3.743 -7.711 162 HE22 GLN 22 2HE2 GLN 22 4.866 3.422 -6.009 163 H ASP 23 H ASP 23 4.736 -2.148 -11.731 164 HA ASP 23 HA ASP 23 5.521 -4.157 -11.450 165 HB2 ASP 23 1HB ASP 23 7.429 -2.570 -9.970 166 HB3 ASP 23 2HB ASP 23 7.120 -4.028 -9.048 167 HD2 ASP 23 HD ASP 23 8.409 -5.993 -10.053 168 H VAL 24 H VAL 24 3.187 -2.940 -9.946 169 HA VAL 24 HA VAL 24 2.901 -5.075 -7.987 170 HB VAL 24 HB VAL 24 2.267 -2.189 -7.358 171 HG11 VAL 24 1HG1 VAL 24 1.437 -2.884 -5.353 172 HG12 VAL 24 2HG1 VAL 24 1.091 -4.356 -6.293 173 HG13 VAL 24 3HG1 VAL 24 2.535 -4.282 -5.254 174 HG21 VAL 24 3HG2 VAL 24 4.724 -3.834 -6.839 175 HG22 VAL 24 1HG2 VAL 24 4.573 -2.116 -7.276 176 HG23 VAL 24 2HG2 VAL 24 4.196 -2.649 -5.620 177 H ALA 25 H ALA 25 1.479 -6.101 -9.458 178 HA ALA 25 HA ALA 25 -0.662 -4.641 -10.643 179 HB1 ALA 25 1HB ALA 25 0.572 -7.249 -10.823 180 HB2 ALA 25 2HB ALA 25 -1.191 -7.431 -10.666 181 HB3 ALA 25 3HB ALA 25 -0.513 -6.440 -11.979 182 HA PRO 26 HA PRO 26 -3.868 -4.974 -7.691 183 HB2 PRO 26 2HB PRO 26 -5.979 -6.052 -9.095 184 HB3 PRO 26 3HB PRO 26 -5.336 -4.406 -9.401 185 HG2 PRO 26 2HG PRO 26 -4.779 -6.876 -10.696 186 HG3 PRO 26 3HG PRO 26 -5.144 -5.390 -11.633 187 HD2 PRO 26 2HD PRO 26 -2.599 -6.160 -11.383 188 HD3 PRO 26 3HD PRO 26 -2.989 -4.445 -11.053 189 H GLY 27 H GLY 27 -5.249 -6.528 -6.383 190 HA2 GLY 27 1HA GLY 27 -5.412 -8.447 -5.224 191 HA3 GLY 27 2HA GLY 27 -5.397 -9.243 -6.785 192 H THR 28 H THR 28 -2.998 -7.533 -4.640 193 HA THR 28 HA THR 28 -1.251 -9.878 -4.960 194 HB THR 28 HB THR 28 -0.254 -6.997 -4.875 195 HG1 THR 28 1HG THR 28 -0.464 -7.089 -7.176 196 HG21 THR 28 3HG2 THR 28 1.485 -8.725 -4.583 197 HG22 THR 28 1HG2 THR 28 0.843 -9.641 -5.968 198 HG23 THR 28 2HG2 THR 28 1.611 -8.056 -6.228 199 HA PRO 29 HA PRO 29 -1.161 -9.835 -0.603 200 HB2 PRO 29 2HB PRO 29 0.868 -11.587 -0.201 201 HB3 PRO 29 3HB PRO 29 -0.659 -12.100 -0.990 202 HG2 PRO 29 2HG PRO 29 1.672 -11.167 -2.002 203 HG3 PRO 29 3HG PRO 29 1.165 -12.691 -2.803 204 HD2 PRO 29 2HD PRO 29 0.712 -10.519 -4.164 205 HD3 PRO 29 3HD PRO 29 -0.750 -11.496 -3.827 206 H TRP 30 H TRP 30 -0.368 -8.168 0.676 207 HA TRP 30 HA TRP 30 1.602 -6.453 -0.059 208 HB2 TRP 30 1HB TRP 30 0.088 -5.946 1.716 209 HB3 TRP 30 2HB TRP 30 0.671 -7.281 2.689 210 HD1 TRP 30 HD TRP 30 2.691 -6.743 4.310 211 HE1 TRP 30 1HE TRP 30 4.250 -4.684 4.851 212 HE3 TRP 30 3HE TRP 30 1.181 -3.896 0.377 213 HZ2 TRP 30 2HZ TRP 30 4.667 -2.152 3.602 214 HZ3 TRP 30 3HZ TRP 30 2.213 -1.643 0.110 215 HH2 TRP 30 HH TRP 30 3.900 -0.761 1.643 216 H SER 31 H SER 31 1.838 -9.700 1.379 217 HA SER 31 HA SER 31 4.450 -9.515 2.276 218 HB2 SER 31 1HB SER 31 4.209 -11.746 2.770 219 HB3 SER 31 2HB SER 31 2.521 -11.394 2.458 220 HG SER 31 HG SER 31 2.922 -12.073 0.194 221 H GLU 32 H GLU 32 3.017 -10.339 -0.922 222 HA GLU 32 HA GLU 32 5.476 -11.125 -2.041 223 HB2 GLU 32 1HB GLU 32 3.288 -11.888 -2.918 224 HB3 GLU 32 2HB GLU 32 2.872 -10.246 -3.365 225 HG2 GLU 32 1HG GLU 32 4.270 -10.238 -5.208 226 HG3 GLU 32 2HG GLU 32 5.489 -11.226 -4.427 227 HE2 GLU 32 HE GLU 32 3.082 -11.287 -6.648 228 H VAL 33 H VAL 33 3.641 -8.058 -1.800 229 HA VAL 33 HA VAL 33 4.787 -6.514 -3.685 230 HB VAL 33 HB VAL 33 4.129 -5.864 -0.809 231 HG11 VAL 33 1HG1 VAL 33 4.445 -3.889 -3.089 232 HG12 VAL 33 2HG1 VAL 33 4.129 -3.534 -1.374 233 HG13 VAL 33 3HG1 VAL 33 5.702 -4.206 -1.869 234 HG21 VAL 33 3HG2 VAL 33 2.538 -5.421 -3.357 235 HG22 VAL 33 1HG2 VAL 33 2.271 -6.745 -2.199 236 HG23 VAL 33 2HG2 VAL 33 2.016 -5.057 -1.695 237 HA PRO 34 HA PRO 34 9.139 -6.923 -3.077 238 HB2 PRO 34 2HB PRO 34 9.101 -4.418 -4.757 239 HB3 PRO 34 3HB PRO 34 9.948 -5.980 -5.005 240 HG2 PRO 34 2HG PRO 34 7.712 -5.366 -6.495 241 HG3 PRO 34 3HG PRO 34 8.264 -6.948 -5.854 242 HD2 PRO 34 2HD PRO 34 6.143 -5.020 -4.776 243 HD3 PRO 34 3HD PRO 34 6.044 -6.795 -4.979 244 H ASP 35 H ASP 35 10.927 -5.550 -2.128 245 HA ASP 35 HA ASP 35 9.757 -3.795 -0.185 246 HB2 ASP 35 1HB ASP 35 12.094 -3.763 0.753 247 HB3 ASP 35 2HB ASP 35 11.425 -5.376 0.605 248 HD2 ASP 35 HD ASP 35 14.581 -4.344 -1.621 249 H ASN 36 H ASN 36 10.187 -3.227 -3.248 250 HA ASN 36 HA ASN 36 11.880 -0.879 -2.928 251 HB2 ASN 36 1HB ASN 36 11.504 -2.857 -5.083 252 HB3 ASN 36 2HB ASN 36 11.286 -1.225 -5.683 253 HD21 ASN 36 1HD2 ASN 36 12.953 0.302 -5.478 254 HD22 ASN 36 2HD2 ASN 36 14.611 -0.161 -5.284 255 H PHE 37 H PHE 37 9.035 -1.134 -2.048 256 HA PHE 37 HA PHE 37 7.785 0.703 -3.969 257 HB2 PHE 37 1HB PHE 37 6.691 -1.558 -3.704 258 HB3 PHE 37 2HB PHE 37 6.640 -1.335 -1.966 259 HD1 PHE 37 2HD PHE 37 5.101 0.341 -0.979 260 HD2 PHE 37 1HD PHE 37 5.051 -0.556 -5.127 261 HE1 PHE 37 2HE PHE 37 2.834 1.399 -1.181 262 HE2 PHE 37 1HE PHE 37 2.784 0.502 -5.328 263 HZ PHE 37 HZ PHE 37 1.702 1.468 -3.353 264 H LEU 38 H LEU 38 7.241 2.716 -3.234 265 HA LEU 38 HA LEU 38 7.084 3.067 -0.331 266 HB2 LEU 38 1HB LEU 38 8.509 4.981 -2.176 267 HB3 LEU 38 2HB LEU 38 8.383 5.072 -0.431 268 HG LEU 38 HG LEU 38 9.797 2.817 -1.873 269 HD11 LEU 38 1HD1 LEU 38 10.699 5.248 -2.207 270 HD12 LEU 38 2HD1 LEU 38 11.271 5.060 -0.532 271 HD13 LEU 38 3HD1 LEU 38 11.816 3.926 -1.791 272 HD21 LEU 38 3HD2 LEU 38 9.676 3.697 1.017 273 HD22 LEU 38 1HD2 LEU 38 9.202 2.132 0.313 274 HD23 LEU 38 2HD2 LEU 38 10.920 2.591 0.385 275 H CYS 39 H CYS 39 5.477 4.483 0.366 276 HA CYS 39 HA CYS 39 3.272 4.784 -1.201 277 HB2 CYS 39 1HB CYS 39 3.385 5.017 1.293 278 HB3 CYS 39 2HB CYS 39 4.065 6.618 1.083 279 HA PRO 40 HA PRO 40 4.544 7.986 -4.004 280 HB2 PRO 40 2HB PRO 40 2.135 8.322 -5.254 281 HB3 PRO 40 3HB PRO 40 3.122 6.838 -5.460 282 HG2 PRO 40 2HG PRO 40 0.921 7.355 -3.728 283 HG3 PRO 40 3HG PRO 40 1.054 5.861 -4.712 284 HD2 PRO 40 2HD PRO 40 1.664 5.841 -2.070 285 HD3 PRO 40 3HD PRO 40 2.703 4.958 -3.230 286 H GLU 41 H GLU 41 2.727 8.297 -1.165 287 HA GLU 41 HA GLU 41 2.389 11.141 -1.722 288 HB2 GLU 41 1HB GLU 41 0.504 9.158 -0.577 289 HB3 GLU 41 2HB GLU 41 0.636 10.629 0.366 290 HG2 GLU 41 1HG GLU 41 0.031 10.493 -2.626 291 HG3 GLU 41 2HG GLU 41 -1.145 10.809 -1.366 292 HE2 GLU 41 HE GLU 41 1.412 12.203 -3.153 293 H CYS 42 H CYS 42 3.260 8.551 0.597 294 HA CYS 42 HA CYS 42 4.915 10.487 1.978 295 HB2 CYS 42 1HB CYS 42 4.089 10.099 4.139 296 HB3 CYS 42 2HB CYS 42 2.650 10.330 3.165 297 H SER 43 H SER 43 5.696 8.573 0.086 298 HA SER 43 HA SER 43 6.539 6.493 -0.172 299 HB2 SER 43 1HB SER 43 8.849 6.526 1.064 300 HB3 SER 43 2HB SER 43 8.501 7.773 -0.117 301 HG SER 43 HG SER 43 9.167 8.111 2.457 302 H LEU 44 H LEU 44 7.973 6.701 3.079 303 HA LEU 44 HA LEU 44 7.356 5.677 5.011 304 HB2 LEU 44 1HB LEU 44 5.003 5.464 3.857 305 HB3 LEU 44 2HB LEU 44 5.487 3.795 3.630 306 HG LEU 44 HG LEU 44 5.786 3.527 6.053 307 HD11 LEU 44 1HD1 LEU 44 5.659 6.417 6.024 308 HD12 LEU 44 2HD1 LEU 44 4.472 5.736 7.162 309 HD13 LEU 44 3HD1 LEU 44 6.193 5.310 7.311 310 HD21 LEU 44 3HD2 LEU 44 3.684 2.826 5.993 311 HD22 LEU 44 1HD2 LEU 44 3.141 4.480 6.369 312 HD23 LEU 44 2HD2 LEU 44 3.307 3.962 4.674 313 H GLY 45 H GLY 45 8.378 3.891 6.003 314 HA2 GLY 45 1HA GLY 45 10.128 2.415 4.197 315 HA3 GLY 45 2HA GLY 45 10.251 2.543 5.940 316 H LYS 46 H LYS 46 7.367 1.653 3.940 317 HA LYS 46 HA LYS 46 5.925 -0.027 4.278 318 HB2 LYS 46 1HB LYS 46 8.568 -1.284 3.593 319 HB3 LYS 46 2HB LYS 46 7.172 -2.303 3.878 320 HG2 LYS 46 1HG LYS 46 6.130 -0.308 2.222 321 HG3 LYS 46 2HG LYS 46 7.755 -0.506 1.597 322 HD2 LYS 46 1HD LYS 46 6.082 -2.964 2.175 323 HD3 LYS 46 2HD LYS 46 5.784 -2.051 0.709 324 HE2 LYS 46 1HE LYS 46 7.391 -3.809 0.190 325 HE3 LYS 46 2HE LYS 46 8.226 -2.270 0.109 326 HZ1 LYS 46 2HZ LYS 46 9.016 -4.382 1.626 327 HZ3 LYS 46 1HZ LYS 46 8.300 -3.435 2.740 328 H ASP 47 H ASP 47 7.042 1.113 6.771 329 HA ASP 47 HA ASP 47 6.611 -1.257 8.402 330 HB2 ASP 47 1HB ASP 47 9.058 -0.450 8.334 331 HB3 ASP 47 2HB ASP 47 8.513 1.015 9.127 332 HD2 ASP 47 HD ASP 47 9.742 -1.746 11.321 333 H VAL 48 H VAL 48 4.436 0.210 7.803 334 HA VAL 48 HA VAL 48 3.735 1.439 10.266 335 HB VAL 48 HB VAL 48 4.320 3.131 7.857 336 HG11 VAL 48 1HG1 VAL 48 3.007 4.937 9.257 337 HG12 VAL 48 2HG1 VAL 48 2.147 3.866 8.125 338 HG13 VAL 48 3HG1 VAL 48 2.126 3.517 9.871 339 HG21 VAL 48 3HG2 VAL 48 5.095 3.056 10.742 340 HG22 VAL 48 1HG2 VAL 48 6.075 3.406 9.298 341 HG23 VAL 48 2HG2 VAL 48 4.980 4.647 9.953 342 H PHE 49 H PHE 49 2.986 1.174 6.728 343 HA PHE 49 HA PHE 49 0.388 1.471 6.581 344 HB2 PHE 49 1HB PHE 49 2.327 -0.627 5.567 345 HB3 PHE 49 2HB PHE 49 0.630 -0.920 5.243 346 HD1 PHE 49 1HD PHE 49 3.439 1.374 4.616 347 HD2 PHE 49 2HD PHE 49 -0.557 0.363 3.610 348 HE1 PHE 49 1HE PHE 49 3.559 2.890 2.619 349 HE2 PHE 49 2HE PHE 49 -0.438 1.879 1.613 350 HZ PHE 49 HZ PHE 49 1.619 3.124 1.141 351 H GLU 50 H GLU 50 -1.575 0.232 6.870 352 HA GLU 50 HA GLU 50 -1.785 -0.935 9.332 353 HB2 GLU 50 1HB GLU 50 -3.550 -1.162 6.861 354 HB3 GLU 50 2HB GLU 50 -4.019 -1.809 8.421 355 HG2 GLU 50 1HG GLU 50 -3.054 1.019 8.462 356 HG3 GLU 50 2HG GLU 50 -4.553 0.759 7.593 357 HE2 GLU 50 HE GLU 50 -3.472 1.474 10.520 358 H GLU 51 H GLU 51 -3.294 -3.134 7.158 359 HA GLU 51 HA GLU 51 -1.303 -4.894 6.563 360 HB2 GLU 51 1HB GLU 51 -1.832 -6.665 8.406 361 HB3 GLU 51 2HB GLU 51 -0.719 -5.366 8.790 362 HG2 GLU 51 1HG GLU 51 -2.754 -4.069 9.712 363 HG3 GLU 51 2HG GLU 51 -3.663 -5.559 9.558 364 HE2 GLU 51 HE GLU 51 -0.999 -4.112 11.123 365 H LEU 52 H LEU 52 -3.527 -4.004 5.235 366 HA LEU 52 HA LEU 52 -5.144 -6.439 5.124 367 HB2 LEU 52 1HB LEU 52 -6.038 -3.710 5.751 368 HB3 LEU 52 2HB LEU 52 -6.942 -4.486 4.466 369 HG LEU 52 HG LEU 52 -6.474 -5.859 7.114 370 HD11 LEU 52 1HD1 LEU 52 -9.050 -4.947 7.274 371 HD12 LEU 52 2HD1 LEU 52 -7.646 -4.222 8.092 372 HD13 LEU 52 3HD1 LEU 52 -8.211 -3.559 6.540 373 HD21 LEU 52 3HD2 LEU 52 -8.772 -6.194 5.182 374 HD22 LEU 52 1HD2 LEU 52 -7.259 -7.123 5.053 375 HD23 LEU 52 2HD2 LEU 52 -8.268 -7.265 6.512 376 H ALA 53 H ALA 53 -4.107 -7.213 3.284 377 HA ALA 53 HA ALA 53 -4.715 -5.717 0.873 378 HB1 ALA 53 1HB ALA 53 -2.390 -5.955 0.043 379 HB2 ALA 53 2HB ALA 53 -2.472 -4.924 1.492 380 HB3 ALA 53 3HB ALA 53 -1.901 -6.605 1.627 381 H SER 54 H SER 54 -4.511 -7.114 -1.081 382 HA SER 54 HA SER 54 -4.915 -8.954 -2.157 383 HB2 SER 54 1HB SER 54 -2.825 -9.892 -1.731 384 HB3 SER 54 2HB SER 54 -3.074 -9.941 0.003 385 HG SER 54 HG SER 54 -4.455 -11.758 -0.238 386 H GLU 55 H GLU 55 -7.030 -9.608 -2.277 387 HA GLU 55 HA GLU 55 -8.516 -10.051 0.070 388 HB2 GLU 55 1HB GLU 55 -9.438 -9.118 -2.077 389 HB3 GLU 55 2HB GLU 55 -9.241 -10.691 -2.824 390 HG2 GLU 55 1HG GLU 55 -10.706 -11.637 -0.917 391 HG3 GLU 55 2HG GLU 55 -11.060 -9.976 -0.483 392 HE2 GLU 55 HE GLU 55 -13.260 -9.393 -1.946 393 H ALA 56 H ALA 56 -8.812 -11.917 1.224 394 HA ALA 56 HA ALA 56 -7.576 -14.323 0.174 395 HB1 ALA 56 1HB ALA 56 -8.929 -14.053 2.860 396 HB2 ALA 56 2HB ALA 56 -7.526 -15.046 2.400 397 HB3 ALA 56 3HB ALA 56 -7.350 -13.283 2.570 398 H LYS 57 H LYS 57 -10.710 -13.523 1.847 399 HA LYS 57 HA LYS 57 -12.040 -15.240 -0.109 400 HB2 LYS 57 1HB LYS 57 -11.857 -15.675 2.833 401 HB3 LYS 57 2HB LYS 57 -13.424 -15.929 2.094 402 HG2 LYS 57 1HG LYS 57 -12.735 -17.804 0.962 403 HG3 LYS 57 2HG LYS 57 -11.186 -17.103 0.538 404 HD2 LYS 57 1HD LYS 57 -10.175 -18.262 2.201 405 HD3 LYS 57 2HD LYS 57 -11.202 -17.491 3.393 406 HE2 LYS 57 1HE LYS 57 -12.760 -19.247 3.404 407 HE3 LYS 57 2HE LYS 57 -12.393 -19.730 1.760 408 HZ1 LYS 57 2HZ LYS 57 -10.713 -20.223 4.154 409 HZ3 LYS 57 1HZ LYS 57 -10.172 -20.484 2.641 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -9.503 -7.323 -3.030 2 HA2 GLY 1 1HA GLY 1 -11.119 -7.682 -1.512 3 HA3 GLY 1 2HA GLY 1 -9.969 -8.686 -0.652 4 HA PRO 2 HA PRO 2 -9.537 -5.430 2.329 5 HB2 PRO 2 2HB PRO 2 -7.127 -6.023 3.442 6 HB3 PRO 2 3HB PRO 2 -8.496 -7.181 3.493 7 HG2 PRO 2 2HG PRO 2 -6.301 -7.001 1.913 8 HG3 PRO 2 3HG PRO 2 -6.769 -8.718 2.137 9 HD2 PRO 2 2HD PRO 2 -7.166 -7.325 -0.223 10 HD3 PRO 2 3HD PRO 2 -8.277 -8.616 0.327 11 H ARG 3 H ARG 3 -8.519 -3.349 2.810 12 HA ARG 3 HA ARG 3 -6.585 -2.611 0.761 13 HB2 ARG 3 1HB ARG 3 -7.592 -0.241 1.038 14 HB3 ARG 3 2HB ARG 3 -8.584 -1.417 0.198 15 HG2 ARG 3 1HG ARG 3 -8.836 -0.948 3.199 16 HG3 ARG 3 2HG ARG 3 -9.739 0.000 2.034 17 HD2 ARG 3 1HD ARG 3 -10.039 -2.774 1.305 18 HD3 ARG 3 2HD ARG 3 -10.329 -2.650 3.028 19 HE ARG 3 HE ARG 3 -11.703 -0.510 1.690 20 HH11 ARG 3 2HH2 ARG 3 -11.893 -4.020 2.143 21 HH12 ARG 3 1HH2 ARG 3 -13.609 -4.081 1.911 22 HH22 ARG 3 1HH ARG 3 -14.807 -2.054 1.466 23 H MET 4 H MET 4 -4.848 -1.201 1.440 24 HA MET 4 HA MET 4 -4.543 -1.171 4.329 25 HB2 MET 4 1HB MET 4 -2.383 -0.492 2.286 26 HB3 MET 4 2HB MET 4 -2.171 -1.136 3.902 27 HG2 MET 4 1HG MET 4 -3.039 -3.319 3.233 28 HG3 MET 4 2HG MET 4 -3.559 -2.701 1.678 29 HE1 MET 4 3HE MET 4 0.615 -3.127 3.312 30 HE2 MET 4 1HE MET 4 -0.962 -3.360 4.103 31 HE3 MET 4 2HE MET 4 -0.247 -4.675 3.140 32 H GLN 5 H GLN 5 -4.230 0.741 5.498 33 HA GLN 5 HA GLN 5 -4.356 3.167 3.880 34 HB2 GLN 5 1HB GLN 5 -5.755 2.454 6.478 35 HB3 GLN 5 2HB GLN 5 -5.504 4.129 6.026 36 HG2 GLN 5 1HG GLN 5 -7.336 4.020 4.699 37 HG3 GLN 5 2HG GLN 5 -6.508 2.856 3.684 38 HE21 GLN 5 1HE2 GLN 5 -6.480 0.578 4.511 39 HE22 GLN 5 2HE2 GLN 5 -7.936 -0.054 5.204 40 H CYS 6 H CYS 6 -2.543 4.406 4.050 41 HA CYS 6 HA CYS 6 -0.638 3.782 6.084 42 HB2 CYS 6 1HB CYS 6 0.644 4.364 4.337 43 HB3 CYS 6 2HB CYS 6 -0.661 5.219 3.539 44 H SER 7 H SER 7 -0.172 5.022 7.934 45 HA SER 7 HA SER 7 -2.139 7.064 8.502 46 HB2 SER 7 1HB SER 7 -1.422 6.814 10.846 47 HB3 SER 7 2HB SER 7 -1.824 5.253 10.158 48 HG SER 7 HG SER 7 0.861 5.908 9.786 49 H VAL 8 H VAL 8 -0.699 8.255 6.692 50 HA VAL 8 HA VAL 8 0.935 10.113 8.173 51 HB VAL 8 HB VAL 8 2.093 8.600 5.825 52 HG11 VAL 8 1HG1 VAL 8 3.921 10.080 7.565 53 HG12 VAL 8 2HG1 VAL 8 3.762 10.096 5.793 54 HG13 VAL 8 3HG1 VAL 8 2.710 11.129 6.790 55 HG21 VAL 8 3HG2 VAL 8 1.977 7.089 7.710 56 HG22 VAL 8 1HG2 VAL 8 3.662 7.622 7.501 57 HG23 VAL 8 2HG2 VAL 8 2.661 8.323 8.795 58 H CYS 9 H CYS 9 0.165 9.033 4.782 59 HA CYS 9 HA CYS 9 -0.594 11.813 4.263 60 HB2 CYS 9 1HB CYS 9 -0.058 11.469 1.957 61 HB3 CYS 9 2HB CYS 9 1.300 10.896 2.904 62 H GLN 10 H GLN 10 -1.651 8.537 4.702 63 HA GLN 10 HA GLN 10 -3.625 7.623 4.676 64 HB2 GLN 10 1HB GLN 10 -4.657 9.578 5.602 65 HB3 GLN 10 2HB GLN 10 -4.547 10.457 4.090 66 HG2 GLN 10 1HG GLN 10 -6.867 9.538 4.652 67 HG3 GLN 10 2HG GLN 10 -6.265 9.125 3.059 68 HE21 GLN 10 1HE2 GLN 10 -7.240 8.001 6.144 69 HE22 GLN 10 2HE2 GLN 10 -7.060 6.297 5.889 70 H TRP 11 H TRP 11 -2.733 6.394 2.835 71 HA TRP 11 HA TRP 11 -4.140 7.079 0.346 72 HB2 TRP 11 1HB TRP 11 -1.692 7.568 0.245 73 HB3 TRP 11 2HB TRP 11 -1.377 5.869 0.538 74 HD1 TRP 11 HD TRP 11 -3.222 8.032 -2.144 75 HE1 TRP 11 1HE TRP 11 -3.066 6.891 -4.518 76 HE3 TRP 11 3HE TRP 11 -0.843 3.830 -0.550 77 HZ2 TRP 11 2HZ TRP 11 -1.990 4.415 -5.443 78 HZ3 TRP 11 3HZ TRP 11 -0.275 2.100 -2.253 79 HH2 TRP 11 HH TRP 11 -0.810 2.341 -4.626 80 H ILE 12 H ILE 12 -5.784 5.593 0.254 81 HA ILE 12 HA ILE 12 -5.503 3.047 1.524 82 HB ILE 12 HB ILE 12 -7.693 4.056 -0.291 83 HG12 ILE 12 1HG1 ILE 12 -7.415 4.353 2.714 84 HG13 ILE 12 2HG1 ILE 12 -7.284 5.647 1.539 85 HG21 ILE 12 1HG2 ILE 12 -7.443 1.745 1.621 86 HG22 ILE 12 2HG2 ILE 12 -9.028 2.455 1.233 87 HG23 ILE 12 3HG2 ILE 12 -8.021 1.764 -0.062 88 HD11 ILE 12 3HD1 ILE 12 -9.727 4.087 2.382 89 HD12 ILE 12 1HD1 ILE 12 -9.527 5.843 2.171 90 HD13 ILE 12 2HD1 ILE 12 -9.672 4.787 0.746 91 H TYR 13 H TYR 13 -4.449 1.411 0.708 92 HA TYR 13 HA TYR 13 -3.878 1.322 -2.180 93 HB2 TYR 13 1HB TYR 13 -2.020 0.937 -0.715 94 HB3 TYR 13 2HB TYR 13 -2.928 -0.260 0.225 95 HD1 TYR 13 2HD TYR 13 -3.373 -2.506 -0.695 96 HD2 TYR 13 1HD TYR 13 -0.976 0.362 -2.811 97 HE1 TYR 13 2HE TYR 13 -2.493 -4.313 -2.147 98 HE2 TYR 13 1HE TYR 13 -0.096 -1.446 -4.264 99 HH TYR 13 HH TYR 13 -0.972 -3.867 -5.024 100 H ASP 14 H ASP 14 -5.858 0.693 -3.196 101 HA ASP 14 HA ASP 14 -7.225 -1.561 -2.092 102 HB2 ASP 14 1HB ASP 14 -8.584 -1.219 -4.321 103 HB3 ASP 14 2HB ASP 14 -8.735 -0.039 -3.034 104 HD2 ASP 14 HD ASP 14 -8.432 2.037 -5.748 105 HA PRO 15 HA PRO 15 -4.512 -4.377 -4.321 106 HB2 PRO 15 2HB PRO 15 -6.771 -6.252 -3.630 107 HB3 PRO 15 3HB PRO 15 -5.011 -6.371 -3.306 108 HG2 PRO 15 2HG PRO 15 -6.761 -5.820 -1.533 109 HG3 PRO 15 3HG PRO 15 -5.143 -5.101 -1.243 110 HD2 PRO 15 2HD PRO 15 -7.705 -3.821 -2.117 111 HD3 PRO 15 3HD PRO 15 -6.241 -3.060 -1.423 112 H ALA 16 H ALA 16 -7.961 -3.659 -4.913 113 HA ALA 16 HA ALA 16 -8.149 -5.224 -7.269 114 HB1 ALA 16 1HB ALA 16 -10.173 -4.682 -6.163 115 HB2 ALA 16 2HB ALA 16 -9.743 -2.959 -6.036 116 HB3 ALA 16 3HB ALA 16 -10.173 -3.656 -7.617 117 H LYS 17 H LYS 17 -6.530 -2.278 -6.453 118 HA LYS 17 HA LYS 17 -6.059 -1.822 -9.300 119 HB2 LYS 17 1HB LYS 17 -6.248 0.642 -7.692 120 HB3 LYS 17 2HB LYS 17 -6.781 0.314 -9.328 121 HG2 LYS 17 1HG LYS 17 -8.214 -0.760 -6.855 122 HG3 LYS 17 2HG LYS 17 -8.652 0.744 -7.641 123 HD2 LYS 17 1HD LYS 17 -8.436 -1.355 -9.645 124 HD3 LYS 17 2HD LYS 17 -9.478 -1.903 -8.346 125 HE2 LYS 17 1HE LYS 17 -11.146 -0.458 -8.930 126 HE3 LYS 17 2HE LYS 17 -10.041 0.894 -9.072 127 HZ1 LYS 17 2HZ LYS 17 -10.188 -1.201 -11.161 128 HZ3 LYS 17 1HZ LYS 17 -9.522 0.279 -11.291 129 H GLY 18 H GLY 18 -5.126 -0.277 -6.147 130 HA2 GLY 18 1HA GLY 18 -3.117 0.004 -5.182 131 HA3 GLY 18 2HA GLY 18 -2.588 -1.459 -5.989 132 H GLU 19 H GLU 19 -1.080 -1.309 -7.617 133 HA GLU 19 HA GLU 19 -0.945 1.085 -9.165 134 HB2 GLU 19 1HB GLU 19 0.927 0.584 -6.927 135 HB3 GLU 19 2HB GLU 19 1.737 0.891 -8.451 136 HG2 GLU 19 1HG GLU 19 -0.542 2.688 -7.567 137 HG3 GLU 19 2HG GLU 19 1.060 2.921 -6.897 138 HE2 GLU 19 HE GLU 19 -0.670 2.937 -9.937 139 HA PRO 20 HA PRO 20 0.093 -2.794 -11.384 140 HB2 PRO 20 2HB PRO 20 -1.491 -2.255 -13.559 141 HB3 PRO 20 3HB PRO 20 -2.145 -2.916 -12.025 142 HG2 PRO 20 2HG PRO 20 -2.415 0.118 -12.904 143 HG3 PRO 20 3HG PRO 20 -3.305 -1.304 -12.269 144 HD2 PRO 20 2HD PRO 20 -1.893 0.732 -10.773 145 HD3 PRO 20 3HD PRO 20 -2.601 -0.780 -10.129 146 H MET 21 H MET 21 1.060 0.363 -11.424 147 HA MET 21 HA MET 21 2.519 -0.086 -13.907 148 HB2 MET 21 1HB MET 21 1.444 2.585 -12.841 149 HB3 MET 21 2HB MET 21 2.376 2.392 -14.313 150 HG2 MET 21 1HG MET 21 -0.426 1.328 -13.747 151 HG3 MET 21 2HG MET 21 0.039 2.509 -14.956 152 HE1 MET 21 3HE MET 21 -0.512 -1.765 -15.336 153 HE2 MET 21 1HE MET 21 -1.191 -0.477 -14.313 154 HE3 MET 21 2HE MET 21 -1.548 -0.510 -16.056 155 H GLN 22 H GLN 22 3.092 -0.563 -10.948 156 HA GLN 22 HA GLN 22 5.556 0.972 -10.937 157 HB2 GLN 22 1HB GLN 22 3.784 1.984 -9.375 158 HB3 GLN 22 2HB GLN 22 3.909 0.522 -8.415 159 HG2 GLN 22 1HG GLN 22 6.555 1.107 -8.609 160 HG3 GLN 22 2HG GLN 22 5.916 2.729 -8.793 161 HE21 GLN 22 1HE2 GLN 22 4.739 3.693 -7.146 162 HE22 GLN 22 2HE2 GLN 22 4.770 3.130 -5.508 163 H ASP 23 H ASP 23 4.374 -1.929 -11.422 164 HA ASP 23 HA ASP 23 5.463 -3.856 -11.396 165 HB2 ASP 23 1HB ASP 23 7.507 -2.429 -10.464 166 HB3 ASP 23 2HB ASP 23 7.060 -3.135 -8.924 167 HD2 ASP 23 HD ASP 23 9.194 -3.716 -11.355 168 H VAL 24 H VAL 24 3.085 -2.887 -9.833 169 HA VAL 24 HA VAL 24 2.974 -5.098 -7.943 170 HB VAL 24 HB VAL 24 2.195 -2.266 -7.223 171 HG11 VAL 24 1HG1 VAL 24 0.772 -3.579 -5.962 172 HG12 VAL 24 2HG1 VAL 24 1.929 -4.927 -5.856 173 HG13 VAL 24 3HG1 VAL 24 2.178 -3.461 -4.878 174 HG21 VAL 24 3HG2 VAL 24 4.634 -3.911 -6.507 175 HG22 VAL 24 1HG2 VAL 24 4.563 -2.282 -7.221 176 HG23 VAL 24 2HG2 VAL 24 4.084 -2.532 -5.525 177 H ALA 25 H ALA 25 1.609 -6.172 -9.431 178 HA ALA 25 HA ALA 25 -0.636 -4.831 -10.558 179 HB1 ALA 25 1HB ALA 25 0.407 -6.652 -11.752 180 HB2 ALA 25 2HB ALA 25 0.209 -7.747 -10.363 181 HB3 ALA 25 3HB ALA 25 -1.219 -7.187 -11.265 182 HA PRO 26 HA PRO 26 -3.834 -5.052 -7.625 183 HB2 PRO 26 2HB PRO 26 -5.284 -6.846 -9.600 184 HB3 PRO 26 3HB PRO 26 -5.832 -5.367 -8.746 185 HG2 PRO 26 2HG PRO 26 -5.050 -5.295 -11.374 186 HG3 PRO 26 3HG PRO 26 -4.771 -4.017 -10.146 187 HD2 PRO 26 2HD PRO 26 -2.872 -6.109 -11.286 188 HD3 PRO 26 3HD PRO 26 -2.542 -4.409 -10.833 189 H GLY 27 H GLY 27 -5.228 -6.726 -6.329 190 HA2 GLY 27 1HA GLY 27 -5.002 -8.459 -4.874 191 HA3 GLY 27 2HA GLY 27 -5.102 -9.387 -6.357 192 H THR 28 H THR 28 -2.594 -7.393 -4.622 193 HA THR 28 HA THR 28 -0.738 -9.645 -5.032 194 HB THR 28 HB THR 28 -0.398 -6.638 -5.398 195 HG1 THR 28 1HG THR 28 0.348 -7.510 -7.435 196 HG21 THR 28 3HG2 THR 28 1.554 -8.494 -4.273 197 HG22 THR 28 1HG2 THR 28 2.052 -8.018 -5.914 198 HG23 THR 28 2HG2 THR 28 1.766 -6.773 -4.675 199 HA PRO 29 HA PRO 29 -1.058 -9.923 -0.634 200 HB2 PRO 29 2HB PRO 29 1.475 -11.477 -1.310 201 HB3 PRO 29 3HB PRO 29 0.136 -11.869 -0.182 202 HG2 PRO 29 2HG PRO 29 -0.127 -13.095 -2.782 203 HG3 PRO 29 3HG PRO 29 -1.168 -12.173 -1.648 204 HD2 PRO 29 2HD PRO 29 0.419 -11.097 -4.067 205 HD3 PRO 29 3HD PRO 29 -1.362 -11.156 -3.897 206 H TRP 30 H TRP 30 -0.389 -8.211 0.657 207 HA TRP 30 HA TRP 30 1.519 -6.401 0.011 208 HB2 TRP 30 1HB TRP 30 -0.042 -5.987 1.759 209 HB3 TRP 30 2HB TRP 30 0.554 -7.332 2.713 210 HD1 TRP 30 HD TRP 30 2.341 -6.691 4.521 211 HE1 TRP 30 1HE TRP 30 3.881 -4.634 5.122 212 HE3 TRP 30 3HE TRP 30 1.257 -3.990 0.352 213 HZ2 TRP 30 2HZ TRP 30 4.460 -2.164 3.816 214 HZ3 TRP 30 3HZ TRP 30 2.352 -1.766 0.091 215 HH2 TRP 30 HH TRP 30 3.905 -0.845 1.739 216 H SER 31 H SER 31 1.882 -9.689 1.277 217 HA SER 31 HA SER 31 4.498 -9.363 2.221 218 HB2 SER 31 1HB SER 31 2.536 -11.434 2.094 219 HB3 SER 31 2HB SER 31 3.968 -12.074 1.313 220 HG SER 31 HG SER 31 3.567 -11.303 4.016 221 H GLU 32 H GLU 32 3.055 -10.492 -0.898 222 HA GLU 32 HA GLU 32 5.488 -11.197 -2.051 223 HB2 GLU 32 1HB GLU 32 2.864 -11.519 -2.726 224 HB3 GLU 32 2HB GLU 32 3.287 -10.223 -3.827 225 HG2 GLU 32 1HG GLU 32 4.470 -11.631 -5.161 226 HG3 GLU 32 2HG GLU 32 5.406 -12.229 -3.805 227 HE2 GLU 32 HE GLU 32 4.386 -13.990 -5.805 228 H VAL 33 H VAL 33 3.674 -8.125 -1.811 229 HA VAL 33 HA VAL 33 4.798 -6.626 -3.763 230 HB VAL 33 HB VAL 33 4.120 -5.920 -0.905 231 HG11 VAL 33 1HG1 VAL 33 4.063 -3.581 -1.587 232 HG12 VAL 33 2HG1 VAL 33 5.687 -4.258 -1.858 233 HG13 VAL 33 3HG1 VAL 33 4.580 -4.022 -3.232 234 HG21 VAL 33 3HG2 VAL 33 2.005 -5.206 -1.759 235 HG22 VAL 33 1HG2 VAL 33 2.547 -5.395 -3.444 236 HG23 VAL 33 2HG2 VAL 33 2.312 -6.830 -2.418 237 HA PRO 34 HA PRO 34 9.152 -7.016 -3.148 238 HB2 PRO 34 2HB PRO 34 9.104 -4.551 -4.886 239 HB3 PRO 34 3HB PRO 34 9.959 -6.114 -5.096 240 HG2 PRO 34 2HG PRO 34 7.719 -5.571 -6.608 241 HG3 PRO 34 3HG PRO 34 8.295 -7.118 -5.906 242 HD2 PRO 34 2HD PRO 34 6.145 -5.180 -4.901 243 HD3 PRO 34 3HD PRO 34 6.065 -6.962 -5.049 244 H ASP 35 H ASP 35 10.968 -5.519 -2.342 245 HA ASP 35 HA ASP 35 9.799 -3.797 -0.365 246 HB2 ASP 35 1HB ASP 35 12.272 -3.608 0.358 247 HB3 ASP 35 2HB ASP 35 11.523 -5.185 0.505 248 HD2 ASP 35 HD ASP 35 14.420 -4.097 -0.284 249 H ASN 36 H ASN 36 10.076 -3.245 -3.441 250 HA ASN 36 HA ASN 36 11.762 -0.885 -3.267 251 HB2 ASN 36 1HB ASN 36 11.102 -2.829 -5.388 252 HB3 ASN 36 2HB ASN 36 10.861 -1.183 -5.937 253 HD21 ASN 36 1HD2 ASN 36 12.593 0.336 -5.754 254 HD22 ASN 36 2HD2 ASN 36 14.245 -0.182 -5.802 255 H PHE 37 H PHE 37 8.956 -1.235 -2.142 256 HA PHE 37 HA PHE 37 7.594 0.757 -3.817 257 HB2 PHE 37 1HB PHE 37 6.531 -1.545 -3.679 258 HB3 PHE 37 2HB PHE 37 6.539 -1.436 -1.930 259 HD1 PHE 37 2HD PHE 37 5.121 0.353 -0.826 260 HD2 PHE 37 1HD PHE 37 4.758 -0.637 -4.937 261 HE1 PHE 37 2HE PHE 37 2.849 1.418 -0.882 262 HE2 PHE 37 1HE PHE 37 2.486 0.428 -4.993 263 HZ PHE 37 HZ PHE 37 1.558 1.443 -2.965 264 H LEU 38 H LEU 38 7.002 2.669 -2.854 265 HA LEU 38 HA LEU 38 6.890 2.759 0.048 266 HB2 LEU 38 1HB LEU 38 8.485 4.878 -1.321 267 HB3 LEU 38 2HB LEU 38 8.500 4.369 0.356 268 HG LEU 38 HG LEU 38 9.521 2.553 -1.824 269 HD11 LEU 38 1HD1 LEU 38 11.655 3.929 -0.449 270 HD12 LEU 38 2HD1 LEU 38 11.347 3.759 -2.194 271 HD13 LEU 38 3HD1 LEU 38 10.594 5.090 -1.283 272 HD21 LEU 38 3HD2 LEU 38 10.613 2.684 0.956 273 HD22 LEU 38 1HD2 LEU 38 9.027 1.920 0.690 274 HD23 LEU 38 2HD2 LEU 38 10.466 1.303 -0.157 275 H CYS 39 H CYS 39 5.432 4.305 0.826 276 HA CYS 39 HA CYS 39 3.264 4.917 -0.544 277 HB2 CYS 39 1HB CYS 39 4.307 5.688 1.912 278 HB3 CYS 39 2HB CYS 39 4.041 7.219 1.101 279 HA PRO 40 HA PRO 40 4.672 7.656 -3.758 280 HB2 PRO 40 2HB PRO 40 2.267 7.919 -5.030 281 HB3 PRO 40 3HB PRO 40 3.191 6.381 -5.041 282 HG2 PRO 40 2HG PRO 40 0.698 7.001 -3.302 283 HG3 PRO 40 3HG PRO 40 1.380 5.671 -4.294 284 HD2 PRO 40 2HD PRO 40 1.688 6.116 -1.451 285 HD3 PRO 40 3HD PRO 40 2.542 4.899 -2.448 286 H GLU 41 H GLU 41 2.976 8.419 -0.955 287 HA GLU 41 HA GLU 41 2.929 11.197 -1.786 288 HB2 GLU 41 1HB GLU 41 0.631 9.633 -0.589 289 HB3 GLU 41 2HB GLU 41 0.780 11.346 -0.249 290 HG2 GLU 41 1HG GLU 41 0.608 10.072 -3.021 291 HG3 GLU 41 2HG GLU 41 -0.659 10.985 -2.225 292 HE2 GLU 41 HE GLU 41 0.537 12.613 -4.675 293 H CYS 42 H CYS 42 4.391 9.002 0.051 294 HA CYS 42 HA CYS 42 5.394 10.808 1.878 295 HB2 CYS 42 1HB CYS 42 4.301 10.533 3.873 296 HB3 CYS 42 2HB CYS 42 2.944 10.387 2.775 297 H SER 43 H SER 43 6.390 8.936 0.031 298 HA SER 43 HA SER 43 6.969 6.570 0.174 299 HB2 SER 43 1HB SER 43 8.816 8.852 0.238 300 HB3 SER 43 2HB SER 43 9.580 7.395 0.842 301 HG SER 43 HG SER 43 9.168 8.060 -1.713 302 H LEU 44 H LEU 44 6.956 4.895 1.628 303 HA LEU 44 HA LEU 44 7.895 5.506 4.345 304 HB2 LEU 44 1HB LEU 44 5.622 3.727 3.459 305 HB3 LEU 44 2HB LEU 44 6.268 3.763 5.087 306 HG LEU 44 HG LEU 44 5.074 6.171 3.689 307 HD11 LEU 44 1HD1 LEU 44 3.408 5.323 5.806 308 HD12 LEU 44 2HD1 LEU 44 3.058 5.328 4.061 309 HD13 LEU 44 3HD1 LEU 44 3.760 3.881 4.823 310 HD21 LEU 44 3HD2 LEU 44 6.700 6.006 5.958 311 HD22 LEU 44 1HD2 LEU 44 5.708 7.388 5.435 312 HD23 LEU 44 2HD2 LEU 44 5.046 6.202 6.586 313 H GLY 45 H GLY 45 8.474 3.307 5.519 314 HA2 GLY 45 1HA GLY 45 10.288 1.896 3.678 315 HA3 GLY 45 2HA GLY 45 10.470 2.049 5.415 316 H LYS 46 H LYS 46 7.206 1.463 4.297 317 HA LYS 46 HA LYS 46 5.857 -0.280 4.413 318 HB2 LYS 46 1HB LYS 46 8.434 -1.748 3.856 319 HB3 LYS 46 2HB LYS 46 6.931 -2.613 4.105 320 HG2 LYS 46 1HG LYS 46 6.151 -0.623 2.324 321 HG3 LYS 46 2HG LYS 46 7.791 -0.948 1.800 322 HD2 LYS 46 1HD LYS 46 5.892 -3.252 2.339 323 HD3 LYS 46 2HD LYS 46 5.802 -2.385 0.820 324 HE2 LYS 46 1HE LYS 46 7.343 -4.036 0.243 325 HE3 LYS 46 2HE LYS 46 8.441 -2.778 0.776 326 HZ1 LYS 46 2HZ LYS 46 9.122 -4.111 2.434 327 HZ3 LYS 46 1HZ LYS 46 8.202 -5.322 1.852 328 H ASP 47 H ASP 47 7.053 0.997 6.797 329 HA ASP 47 HA ASP 47 6.613 -1.244 8.603 330 HB2 ASP 47 1HB ASP 47 9.062 -0.177 8.349 331 HB3 ASP 47 2HB ASP 47 8.398 1.064 9.393 332 HD2 ASP 47 HD ASP 47 9.595 -2.329 10.963 333 H VAL 48 H VAL 48 4.486 0.315 7.782 334 HA VAL 48 HA VAL 48 3.792 1.697 10.199 335 HB VAL 48 HB VAL 48 3.978 3.186 7.573 336 HG11 VAL 48 1HG1 VAL 48 3.032 5.092 8.708 337 HG12 VAL 48 2HG1 VAL 48 1.928 3.710 8.910 338 HG13 VAL 48 3HG1 VAL 48 2.985 4.208 10.253 339 HG21 VAL 48 3HG2 VAL 48 6.148 3.078 8.572 340 HG22 VAL 48 1HG2 VAL 48 5.492 4.698 8.913 341 HG23 VAL 48 2HG2 VAL 48 5.494 3.453 10.185 342 H PHE 49 H PHE 49 2.856 1.391 6.695 343 HA PHE 49 HA PHE 49 0.241 1.531 6.756 344 HB2 PHE 49 1HB PHE 49 2.221 -0.386 5.493 345 HB3 PHE 49 2HB PHE 49 0.526 -0.781 5.286 346 HD1 PHE 49 1HD PHE 49 3.082 1.803 4.626 347 HD2 PHE 49 2HD PHE 49 -0.831 0.414 3.749 348 HE1 PHE 49 1HE PHE 49 2.942 3.411 2.704 349 HE2 PHE 49 2HE PHE 49 -0.971 2.022 1.827 350 HZ PHE 49 HZ PHE 49 0.917 3.501 1.327 351 H GLU 50 H GLU 50 -1.586 0.462 7.503 352 HA GLU 50 HA GLU 50 -1.445 -0.988 9.768 353 HB2 GLU 50 1HB GLU 50 -3.552 -0.862 7.588 354 HB3 GLU 50 2HB GLU 50 -3.807 -1.836 9.022 355 HG2 GLU 50 1HG GLU 50 -3.070 0.394 10.297 356 HG3 GLU 50 2HG GLU 50 -3.535 1.167 8.795 357 HE2 GLU 50 HE GLU 50 -6.389 -0.614 11.001 358 H GLU 51 H GLU 51 -3.092 -2.813 7.215 359 HA GLU 51 HA GLU 51 -1.354 -4.542 6.293 360 HB2 GLU 51 1HB GLU 51 -0.325 -5.264 8.261 361 HB3 GLU 51 2HB GLU 51 -1.791 -5.130 9.212 362 HG2 GLU 51 1HG GLU 51 -2.631 -7.200 8.482 363 HG3 GLU 51 2HG GLU 51 -1.742 -7.152 6.972 364 HE2 GLU 51 HE GLU 51 1.204 -8.305 8.268 365 H LEU 52 H LEU 52 -3.134 -4.442 4.789 366 HA LEU 52 HA LEU 52 -4.931 -6.594 5.041 367 HB2 LEU 52 1HB LEU 52 -5.824 -4.005 6.044 368 HB3 LEU 52 2HB LEU 52 -6.852 -4.619 4.765 369 HG LEU 52 HG LEU 52 -6.245 -5.868 7.443 370 HD11 LEU 52 1HD1 LEU 52 -8.727 -5.915 7.598 371 HD12 LEU 52 2HD1 LEU 52 -8.046 -4.276 7.463 372 HD13 LEU 52 3HD1 LEU 52 -8.804 -5.044 6.048 373 HD21 LEU 52 3HD2 LEU 52 -6.272 -7.888 6.503 374 HD22 LEU 52 1HD2 LEU 52 -8.001 -7.603 6.191 375 HD23 LEU 52 2HD2 LEU 52 -6.798 -7.244 4.929 376 H ALA 53 H ALA 53 -3.850 -7.064 3.049 377 HA ALA 53 HA ALA 53 -5.005 -5.569 0.831 378 HB1 ALA 53 1HB ALA 53 -2.278 -5.326 1.689 379 HB2 ALA 53 2HB ALA 53 -2.299 -6.215 0.147 380 HB3 ALA 53 3HB ALA 53 -3.059 -4.609 0.258 381 H SER 54 H SER 54 -4.369 -6.848 -1.313 382 HA SER 54 HA SER 54 -4.582 -8.670 -2.471 383 HB2 SER 54 1HB SER 54 -2.574 -9.634 -1.853 384 HB3 SER 54 2HB SER 54 -2.962 -9.622 -0.144 385 HG SER 54 HG SER 54 -4.194 -11.493 -0.366 386 H GLU 55 H GLU 55 -6.254 -10.156 -2.930 387 HA GLU 55 HA GLU 55 -8.307 -10.244 -0.958 388 HB2 GLU 55 1HB GLU 55 -8.390 -10.067 -3.644 389 HB3 GLU 55 2HB GLU 55 -8.487 -11.812 -3.519 390 HG2 GLU 55 1HG GLU 55 -10.275 -10.745 -1.544 391 HG3 GLU 55 2HG GLU 55 -10.558 -9.842 -3.019 392 HE2 GLU 55 HE GLU 55 -12.568 -11.727 -2.279 393 H ALA 56 H ALA 56 -8.376 -11.762 0.636 394 HA ALA 56 HA ALA 56 -7.530 -14.476 -0.076 395 HB1 ALA 56 1HB ALA 56 -6.913 -13.932 2.677 396 HB2 ALA 56 2HB ALA 56 -5.807 -14.385 1.359 397 HB3 ALA 56 3HB ALA 56 -6.164 -12.670 1.670 398 H LYS 57 H LYS 57 -8.886 -12.599 2.734 399 HA LYS 57 HA LYS 57 -10.749 -12.848 3.893 400 HB2 LYS 57 1HB LYS 57 -11.727 -12.857 1.504 401 HB3 LYS 57 2HB LYS 57 -11.913 -14.586 1.716 402 HG2 LYS 57 1HG LYS 57 -13.971 -13.863 2.530 403 HG3 LYS 57 2HG LYS 57 -13.052 -13.890 4.022 404 HD2 LYS 57 1HD LYS 57 -12.784 -11.339 2.534 405 HD3 LYS 57 2HD LYS 57 -14.434 -11.688 3.010 406 HE2 LYS 57 1HE LYS 57 -13.929 -10.958 5.098 407 HE3 LYS 57 2HE LYS 57 -12.879 -12.348 5.288 408 HZ1 LYS 57 2HZ LYS 57 -11.021 -11.099 4.725 409 HZ3 LYS 57 1HZ LYS 57 -11.897 -9.955 5.484 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.586 -6.058 -1.345 2 HA2 GLY 1 1HA GLY 1 -10.625 -8.513 -0.300 3 HA3 GLY 1 2HA GLY 1 -9.373 -7.727 -1.241 4 HA PRO 2 HA PRO 2 -9.139 -5.610 2.779 5 HB2 PRO 2 2HB PRO 2 -6.629 -6.357 3.487 6 HB3 PRO 2 3HB PRO 2 -8.010 -7.496 3.611 7 HG2 PRO 2 2HG PRO 2 -6.073 -7.151 1.761 8 HG3 PRO 2 3HG PRO 2 -6.479 -8.896 1.858 9 HD2 PRO 2 2HD PRO 2 -7.239 -7.314 -0.260 10 HD3 PRO 2 3HD PRO 2 -8.287 -8.630 0.350 11 H ARG 3 H ARG 3 -8.304 -3.493 3.068 12 HA ARG 3 HA ARG 3 -6.393 -2.712 1.015 13 HB2 ARG 3 1HB ARG 3 -7.461 -0.400 1.181 14 HB3 ARG 3 2HB ARG 3 -8.503 -1.633 0.499 15 HG2 ARG 3 1HG ARG 3 -8.547 -1.008 3.477 16 HG3 ARG 3 2HG ARG 3 -9.495 -0.070 2.340 17 HD2 ARG 3 1HD ARG 3 -9.985 -2.797 1.665 18 HD3 ARG 3 2HD ARG 3 -10.032 -2.734 3.415 19 HE ARG 3 HE ARG 3 -12.008 -1.487 3.293 20 HH11 ARG 3 2HH2 ARG 3 -10.384 -1.349 0.146 21 HH12 ARG 3 1HH2 ARG 3 -11.699 -0.534 -0.635 22 HH22 ARG 3 1HH ARG 3 -13.662 0.006 0.629 23 H MET 4 H MET 4 -4.598 -1.465 1.707 24 HA MET 4 HA MET 4 -4.412 -1.207 4.596 25 HB2 MET 4 1HB MET 4 -2.135 -0.916 2.581 26 HB3 MET 4 2HB MET 4 -2.013 -1.345 4.276 27 HG2 MET 4 1HG MET 4 -3.066 -3.531 3.858 28 HG3 MET 4 2HG MET 4 -3.401 -3.099 2.193 29 HE1 MET 4 3HE MET 4 -0.811 -5.633 3.642 30 HE2 MET 4 1HE MET 4 0.318 -4.404 4.258 31 HE3 MET 4 2HE MET 4 -1.393 -4.364 4.747 32 H GLN 5 H GLN 5 -3.152 0.741 5.435 33 HA GLN 5 HA GLN 5 -3.331 3.010 3.651 34 HB2 GLN 5 1HB GLN 5 -4.867 2.679 6.234 35 HB3 GLN 5 2HB GLN 5 -4.338 4.279 5.751 36 HG2 GLN 5 1HG GLN 5 -5.806 4.384 3.973 37 HG3 GLN 5 2HG GLN 5 -5.624 2.686 3.580 38 HE21 GLN 5 1HE2 GLN 5 -6.834 1.125 4.645 39 HE22 GLN 5 2HE2 GLN 5 -8.273 1.492 5.537 40 H CYS 6 H CYS 6 -1.950 4.812 4.306 41 HA CYS 6 HA CYS 6 0.170 3.886 6.075 42 HB2 CYS 6 1HB CYS 6 1.149 6.169 4.948 43 HB3 CYS 6 2HB CYS 6 1.383 4.557 4.302 44 H SER 7 H SER 7 0.493 4.875 8.064 45 HA SER 7 HA SER 7 -1.465 6.766 8.873 46 HB2 SER 7 1HB SER 7 0.944 6.104 10.559 47 HB3 SER 7 2HB SER 7 -0.718 6.353 11.056 48 HG SER 7 HG SER 7 0.505 4.025 9.921 49 H VAL 8 H VAL 8 -0.263 8.047 6.827 50 HA VAL 8 HA VAL 8 1.235 10.131 8.194 51 HB VAL 8 HB VAL 8 2.197 8.593 5.781 52 HG11 VAL 8 1HG1 VAL 8 2.441 10.955 5.271 53 HG12 VAL 8 2HG1 VAL 8 3.196 11.252 6.855 54 HG13 VAL 8 3HG1 VAL 8 4.036 10.257 5.641 55 HG21 VAL 8 3HG2 VAL 8 4.205 8.224 7.098 56 HG22 VAL 8 1HG2 VAL 8 3.561 9.231 8.418 57 HG23 VAL 8 2HG2 VAL 8 2.778 7.684 8.016 58 H CYS 9 H CYS 9 -0.028 9.017 4.970 59 HA CYS 9 HA CYS 9 -1.092 11.724 4.645 60 HB2 CYS 9 1HB CYS 9 -0.856 11.534 2.336 61 HB3 CYS 9 2HB CYS 9 0.585 10.740 2.941 62 H GLN 10 H GLN 10 -1.739 8.216 4.737 63 HA GLN 10 HA GLN 10 -3.621 7.192 5.248 64 HB2 GLN 10 1HB GLN 10 -4.386 9.782 5.876 65 HB3 GLN 10 2HB GLN 10 -5.567 9.351 4.655 66 HG2 GLN 10 1HG GLN 10 -4.930 7.671 7.128 67 HG3 GLN 10 2HG GLN 10 -6.305 8.748 6.981 68 HE21 GLN 10 1HE2 GLN 10 -7.974 8.287 5.534 69 HE22 GLN 10 2HE2 GLN 10 -8.256 6.695 4.910 70 H TRP 11 H TRP 11 -2.562 6.637 2.924 71 HA TRP 11 HA TRP 11 -4.556 7.149 0.844 72 HB2 TRP 11 1HB TRP 11 -2.237 7.718 0.326 73 HB3 TRP 11 2HB TRP 11 -1.734 6.075 0.673 74 HD1 TRP 11 HD TRP 11 -4.001 7.937 -1.898 75 HE1 TRP 11 1HE TRP 11 -4.062 6.637 -4.194 76 HE3 TRP 11 3HE TRP 11 -1.265 3.953 -0.317 77 HZ2 TRP 11 2HZ TRP 11 -2.984 4.145 -5.071 78 HZ3 TRP 11 3HZ TRP 11 -0.815 2.130 -1.956 79 HH2 TRP 11 HH TRP 11 -1.625 2.181 -4.261 80 H ILE 12 H ILE 12 -5.938 5.525 0.217 81 HA ILE 12 HA ILE 12 -5.695 3.004 1.618 82 HB ILE 12 HB ILE 12 -7.840 4.173 -0.156 83 HG12 ILE 12 1HG1 ILE 12 -7.390 4.063 2.807 84 HG13 ILE 12 2HG1 ILE 12 -7.932 5.397 1.809 85 HG21 ILE 12 1HG2 ILE 12 -7.705 1.679 -0.275 86 HG22 ILE 12 2HG2 ILE 12 -7.987 1.631 1.482 87 HG23 ILE 12 3HG2 ILE 12 -9.228 2.306 0.400 88 HD11 ILE 12 3HD1 ILE 12 -10.049 3.945 1.337 89 HD12 ILE 12 1HD1 ILE 12 -9.514 2.976 2.730 90 HD13 ILE 12 2HD1 ILE 12 -9.897 4.701 2.941 91 H TYR 13 H TYR 13 -5.058 1.144 0.767 92 HA TYR 13 HA TYR 13 -4.196 1.183 -2.076 93 HB2 TYR 13 1HB TYR 13 -2.429 0.736 -0.481 94 HB3 TYR 13 2HB TYR 13 -3.396 -0.525 0.301 95 HD1 TYR 13 2HD TYR 13 -3.854 -2.668 -0.893 96 HD2 TYR 13 1HD TYR 13 -1.168 0.294 -2.463 97 HE1 TYR 13 2HE TYR 13 -2.876 -4.363 -2.416 98 HE2 TYR 13 1HE TYR 13 -0.190 -1.401 -3.987 99 HH TYR 13 HH TYR 13 -0.871 -3.621 -5.047 100 H ASP 14 H ASP 14 -6.053 0.558 -3.258 101 HA ASP 14 HA ASP 14 -7.510 -1.702 -2.228 102 HB2 ASP 14 1HB ASP 14 -7.950 -0.084 -4.781 103 HB3 ASP 14 2HB ASP 14 -9.079 -1.231 -4.087 104 HD2 ASP 14 HD ASP 14 -9.655 1.856 -4.299 105 HA PRO 15 HA PRO 15 -4.788 -4.372 -4.625 106 HB2 PRO 15 2HB PRO 15 -7.034 -6.284 -3.956 107 HB3 PRO 15 3HB PRO 15 -5.261 -6.437 -3.730 108 HG2 PRO 15 2HG PRO 15 -6.933 -5.899 -1.629 109 HG3 PRO 15 3HG PRO 15 -5.270 -5.266 -1.853 110 HD2 PRO 15 2HD PRO 15 -7.971 -3.937 -2.360 111 HD3 PRO 15 3HD PRO 15 -6.490 -3.240 -1.637 112 H ALA 16 H ALA 16 -8.235 -3.625 -5.137 113 HA ALA 16 HA ALA 16 -8.467 -5.103 -7.548 114 HB1 ALA 16 1HB ALA 16 -10.224 -4.000 -5.830 115 HB2 ALA 16 2HB ALA 16 -10.149 -2.684 -7.027 116 HB3 ALA 16 3HB ALA 16 -10.628 -4.322 -7.534 117 H LYS 17 H LYS 17 -6.718 -2.292 -6.666 118 HA LYS 17 HA LYS 17 -6.361 -1.675 -9.495 119 HB2 LYS 17 1HB LYS 17 -6.470 0.670 -7.678 120 HB3 LYS 17 2HB LYS 17 -6.934 0.522 -9.361 121 HG2 LYS 17 1HG LYS 17 -8.513 -0.734 -7.069 122 HG3 LYS 17 2HG LYS 17 -8.872 0.848 -7.733 123 HD2 LYS 17 1HD LYS 17 -8.614 -1.075 -9.905 124 HD3 LYS 17 2HD LYS 17 -9.740 -1.693 -8.713 125 HE2 LYS 17 1HE LYS 17 -11.158 -0.397 -10.063 126 HE3 LYS 17 2HE LYS 17 -10.778 0.733 -8.779 127 HZ1 LYS 17 2HZ LYS 17 -8.962 1.597 -10.237 128 HZ3 LYS 17 1HZ LYS 17 -10.440 1.817 -10.885 129 H GLY 18 H GLY 18 -5.279 -0.455 -6.243 130 HA2 GLY 18 1HA GLY 18 -3.233 -0.435 -5.298 131 HA3 GLY 18 2HA GLY 18 -2.709 -1.643 -6.454 132 H GLU 19 H GLU 19 -0.849 -0.907 -7.400 133 HA GLU 19 HA GLU 19 -1.046 1.623 -8.769 134 HB2 GLU 19 1HB GLU 19 0.690 1.114 -6.417 135 HB3 GLU 19 2HB GLU 19 1.542 1.785 -7.794 136 HG2 GLU 19 1HG GLU 19 -1.086 2.997 -6.870 137 HG3 GLU 19 2HG GLU 19 0.417 3.426 -6.077 138 HE2 GLU 19 HE GLU 19 -0.565 5.294 -9.266 139 HA PRO 20 HA PRO 20 0.577 -1.907 -11.285 140 HB2 PRO 20 2HB PRO 20 -0.730 -0.071 -13.310 141 HB3 PRO 20 3HB PRO 20 -0.784 -1.857 -13.144 142 HG2 PRO 20 2HG PRO 20 -2.907 -0.301 -12.342 143 HG3 PRO 20 3HG PRO 20 -2.380 -1.758 -11.438 144 HD2 PRO 20 2HD PRO 20 -1.776 1.198 -10.940 145 HD3 PRO 20 3HD PRO 20 -2.212 -0.075 -9.759 146 H MET 21 H MET 21 2.028 -1.674 -13.379 147 HA MET 21 HA MET 21 3.913 -0.928 -14.177 148 HB2 MET 21 1HB MET 21 2.432 1.736 -13.830 149 HB3 MET 21 2HB MET 21 3.929 1.598 -14.731 150 HG2 MET 21 1HG MET 21 2.546 1.213 -16.522 151 HG3 MET 21 2HG MET 21 2.490 -0.426 -15.903 152 HE1 MET 21 3HE MET 21 0.591 -1.493 -14.670 153 HE2 MET 21 1HE MET 21 -1.050 -1.013 -15.165 154 HE3 MET 21 2HE MET 21 0.191 -1.341 -16.398 155 H GLN 22 H GLN 22 3.662 -1.136 -11.184 156 HA GLN 22 HA GLN 22 5.976 0.516 -10.605 157 HB2 GLN 22 1HB GLN 22 3.818 1.563 -9.696 158 HB3 GLN 22 2HB GLN 22 3.684 0.180 -8.629 159 HG2 GLN 22 1HG GLN 22 5.403 0.885 -7.272 160 HG3 GLN 22 2HG GLN 22 6.370 1.458 -8.616 161 HE21 GLN 22 1HE2 GLN 22 3.918 2.203 -6.285 162 HE22 GLN 22 2HE2 GLN 22 3.836 3.916 -6.530 163 H ASP 23 H ASP 23 4.990 -2.474 -11.126 164 HA ASP 23 HA ASP 23 6.004 -4.368 -10.636 165 HB2 ASP 23 1HB ASP 23 7.753 -2.722 -9.373 166 HB3 ASP 23 2HB ASP 23 7.051 -3.481 -7.957 167 HD2 ASP 23 HD ASP 23 9.378 -5.969 -8.304 168 H VAL 24 H VAL 24 3.493 -2.883 -9.351 169 HA VAL 24 HA VAL 24 2.842 -5.095 -7.559 170 HB VAL 24 HB VAL 24 2.208 -2.222 -6.891 171 HG11 VAL 24 1HG1 VAL 24 2.370 -4.140 -4.702 172 HG12 VAL 24 2HG1 VAL 24 1.048 -3.042 -5.163 173 HG13 VAL 24 3HG1 VAL 24 1.189 -4.639 -5.936 174 HG21 VAL 24 3HG2 VAL 24 4.440 -3.877 -5.675 175 HG22 VAL 24 1HG2 VAL 24 4.689 -2.639 -6.930 176 HG23 VAL 24 2HG2 VAL 24 4.037 -2.176 -5.340 177 H ALA 25 H ALA 25 1.522 -6.017 -9.164 178 HA ALA 25 HA ALA 25 -0.423 -4.361 -10.488 179 HB1 ALA 25 1HB ALA 25 -0.877 -7.192 -10.796 180 HB2 ALA 25 2HB ALA 25 -0.275 -6.020 -11.993 181 HB3 ALA 25 3HB ALA 25 0.868 -6.864 -10.921 182 HA PRO 26 HA PRO 26 -3.962 -4.853 -7.989 183 HB2 PRO 26 2HB PRO 26 -5.820 -6.016 -9.713 184 HB3 PRO 26 3HB PRO 26 -5.313 -4.297 -9.772 185 HG2 PRO 26 2HG PRO 26 -4.387 -6.564 -11.212 186 HG3 PRO 26 3HG PRO 26 -4.737 -5.038 -12.088 187 HD2 PRO 26 2HD PRO 26 -2.207 -5.571 -11.587 188 HD3 PRO 26 3HD PRO 26 -2.796 -3.973 -11.036 189 H GLY 27 H GLY 27 -5.063 -6.408 -6.619 190 HA2 GLY 27 1HA GLY 27 -5.407 -8.403 -5.642 191 HA3 GLY 27 2HA GLY 27 -5.194 -9.157 -7.210 192 H THR 28 H THR 28 -2.972 -7.249 -5.049 193 HA THR 28 HA THR 28 -1.154 -9.567 -5.114 194 HB THR 28 HB THR 28 -0.603 -6.571 -5.388 195 HG1 THR 28 1HG THR 28 0.157 -7.380 -7.423 196 HG21 THR 28 3HG2 THR 28 1.091 -7.860 -3.884 197 HG22 THR 28 1HG2 THR 28 1.466 -8.814 -5.339 198 HG23 THR 28 2HG2 THR 28 1.755 -7.058 -5.327 199 HA PRO 29 HA PRO 29 -1.504 -9.419 -0.760 200 HB2 PRO 29 2HB PRO 29 0.345 -11.318 -0.171 201 HB3 PRO 29 3HB PRO 29 -1.167 -11.726 -1.045 202 HG2 PRO 29 2HG PRO 29 1.325 -11.073 -1.919 203 HG3 PRO 29 3HG PRO 29 0.654 -12.544 -2.695 204 HD2 PRO 29 2HD PRO 29 0.621 -10.326 -4.117 205 HD3 PRO 29 3HD PRO 29 -0.946 -11.173 -3.948 206 H TRP 30 H TRP 30 -0.619 -7.936 0.685 207 HA TRP 30 HA TRP 30 1.477 -6.314 0.045 208 HB2 TRP 30 1HB TRP 30 -0.129 -5.821 1.789 209 HB3 TRP 30 2HB TRP 30 0.472 -7.141 2.772 210 HD1 TRP 30 HD TRP 30 2.604 -6.623 4.288 211 HE1 TRP 30 1HE TRP 30 4.099 -4.520 4.840 212 HE3 TRP 30 3HE TRP 30 0.779 -3.691 0.556 213 HZ2 TRP 30 2HZ TRP 30 4.345 -1.924 3.680 214 HZ3 TRP 30 3HZ TRP 30 1.701 -1.385 0.335 215 HH2 TRP 30 HH TRP 30 3.423 -0.491 1.821 216 H SER 31 H SER 31 1.443 -9.610 1.364 217 HA SER 31 HA SER 31 4.043 -9.601 2.358 218 HB2 SER 31 1HB SER 31 3.826 -12.094 2.248 219 HB3 SER 31 2HB SER 31 2.453 -11.322 3.015 220 HG SER 31 HG SER 31 2.619 -12.657 0.510 221 H GLU 32 H GLU 32 2.624 -10.163 -0.880 222 HA GLU 32 HA GLU 32 5.032 -11.189 -1.956 223 HB2 GLU 32 1HB GLU 32 2.877 -11.815 -2.927 224 HB3 GLU 32 2HB GLU 32 2.481 -10.140 -3.254 225 HG2 GLU 32 1HG GLU 32 4.161 -9.952 -4.958 226 HG3 GLU 32 2HG GLU 32 4.982 -11.408 -4.431 227 HE2 GLU 32 HE GLU 32 1.932 -12.824 -4.570 228 H VAL 33 H VAL 33 3.486 -7.989 -1.627 229 HA VAL 33 HA VAL 33 4.751 -6.505 -3.496 230 HB VAL 33 HB VAL 33 4.073 -5.917 -0.617 231 HG11 VAL 33 1HG1 VAL 33 4.172 -3.487 -2.039 232 HG12 VAL 33 2HG1 VAL 33 5.246 -4.021 -0.724 233 HG13 VAL 33 3HG1 VAL 33 5.692 -4.333 -2.419 234 HG21 VAL 33 3HG2 VAL 33 2.712 -5.470 -3.277 235 HG22 VAL 33 1HG2 VAL 33 2.100 -6.310 -1.832 236 HG23 VAL 33 2HG2 VAL 33 2.266 -4.538 -1.827 237 HA PRO 34 HA PRO 34 9.031 -7.474 -2.793 238 HB2 PRO 34 2HB PRO 34 9.283 -5.220 -4.780 239 HB3 PRO 34 3HB PRO 34 9.940 -6.888 -4.815 240 HG2 PRO 34 2HG PRO 34 7.769 -6.257 -6.419 241 HG3 PRO 34 3HG PRO 34 8.155 -7.763 -5.523 242 HD2 PRO 34 2HD PRO 34 6.293 -5.447 -4.755 243 HD3 PRO 34 3HD PRO 34 5.951 -7.204 -4.740 244 H ASP 35 H ASP 35 9.847 -6.698 -0.834 245 HA ASP 35 HA ASP 35 9.264 -4.421 0.372 246 HB2 ASP 35 1HB ASP 35 12.150 -5.372 0.308 247 HB3 ASP 35 2HB ASP 35 11.278 -4.678 1.660 248 HD2 ASP 35 HD ASP 35 11.616 -8.464 1.173 249 H ASN 36 H ASN 36 9.383 -2.281 -0.321 250 HA ASN 36 HA ASN 36 11.535 -0.887 -0.861 251 HB2 ASN 36 1HB ASN 36 12.313 -2.084 -2.764 252 HB3 ASN 36 2HB ASN 36 10.693 -2.384 -3.362 253 HD21 ASN 36 1HD2 ASN 36 9.968 -1.184 -4.948 254 HD22 ASN 36 2HD2 ASN 36 10.584 0.350 -5.466 255 H PHE 37 H PHE 37 8.539 -1.626 -2.817 256 HA PHE 37 HA PHE 37 7.624 0.599 -3.705 257 HB2 PHE 37 1HB PHE 37 6.297 -1.510 -3.431 258 HB3 PHE 37 2HB PHE 37 6.179 -1.237 -1.704 259 HD1 PHE 37 2HD PHE 37 4.685 0.495 -0.818 260 HD2 PHE 37 1HD PHE 37 4.882 -0.314 -4.979 261 HE1 PHE 37 2HE PHE 37 2.532 1.738 -1.161 262 HE2 PHE 37 1HE PHE 37 2.729 0.930 -5.322 263 HZ PHE 37 HZ PHE 37 1.580 1.941 -3.409 264 H LEU 38 H LEU 38 6.998 2.668 -3.143 265 HA LEU 38 HA LEU 38 6.800 3.237 -0.277 266 HB2 LEU 38 1HB LEU 38 8.152 5.198 -2.073 267 HB3 LEU 38 2HB LEU 38 8.275 4.995 -0.337 268 HG LEU 38 HG LEU 38 9.333 2.820 -2.105 269 HD11 LEU 38 1HD1 LEU 38 10.197 5.549 -2.301 270 HD12 LEU 38 2HD1 LEU 38 11.490 4.570 -1.570 271 HD13 LEU 38 3HD1 LEU 38 10.807 4.107 -3.147 272 HD21 LEU 38 3HD2 LEU 38 9.238 2.594 0.373 273 HD22 LEU 38 1HD2 LEU 38 10.880 2.465 -0.303 274 HD23 LEU 38 2HD2 LEU 38 10.364 3.967 0.502 275 H CYS 39 H CYS 39 5.205 4.724 0.282 276 HA CYS 39 HA CYS 39 3.024 4.938 -1.315 277 HB2 CYS 39 1HB CYS 39 3.209 5.439 1.165 278 HB3 CYS 39 2HB CYS 39 3.815 7.027 0.735 279 HA PRO 40 HA PRO 40 4.379 7.817 -4.416 280 HB2 PRO 40 2HB PRO 40 1.997 8.043 -5.736 281 HB3 PRO 40 3HB PRO 40 2.963 6.532 -5.763 282 HG2 PRO 40 2HG PRO 40 0.752 7.267 -4.134 283 HG3 PRO 40 3HG PRO 40 0.862 5.670 -4.943 284 HD2 PRO 40 2HD PRO 40 1.443 5.928 -2.309 285 HD3 PRO 40 3HD PRO 40 2.479 4.906 -3.350 286 H GLU 41 H GLU 41 2.494 8.429 -1.661 287 HA GLU 41 HA GLU 41 2.248 11.214 -2.494 288 HB2 GLU 41 1HB GLU 41 0.299 9.439 -1.031 289 HB3 GLU 41 2HB GLU 41 0.338 11.142 -0.620 290 HG2 GLU 41 1HG GLU 41 -0.071 9.998 -3.424 291 HG3 GLU 41 2HG GLU 41 -1.323 10.691 -2.412 292 HE2 GLU 41 HE GLU 41 0.916 11.432 -4.721 293 H CYS 42 H CYS 42 2.968 8.816 0.061 294 HA CYS 42 HA CYS 42 4.477 10.902 1.422 295 HB2 CYS 42 1HB CYS 42 3.593 10.495 3.543 296 HB3 CYS 42 2HB CYS 42 2.174 10.514 2.514 297 H SER 43 H SER 43 5.462 9.017 -0.430 298 HA SER 43 HA SER 43 6.147 6.646 -0.124 299 HB2 SER 43 1HB SER 43 8.606 7.165 -0.476 300 HB3 SER 43 2HB SER 43 7.515 8.024 -1.545 301 HG SER 43 HG SER 43 9.329 9.253 -0.364 302 H LEU 44 H LEU 44 6.605 5.143 1.449 303 HA LEU 44 HA LEU 44 7.861 6.156 3.905 304 HB2 LEU 44 1HB LEU 44 5.282 5.361 3.743 305 HB3 LEU 44 2HB LEU 44 6.050 3.824 4.088 306 HG LEU 44 HG LEU 44 7.204 5.063 6.049 307 HD11 LEU 44 1HD1 LEU 44 5.818 6.936 6.964 308 HD12 LEU 44 2HD1 LEU 44 6.722 7.334 5.483 309 HD13 LEU 44 3HD1 LEU 44 4.975 7.004 5.397 310 HD21 LEU 44 3HD2 LEU 44 5.285 4.629 7.523 311 HD22 LEU 44 1HD2 LEU 44 4.228 4.491 6.097 312 HD23 LEU 44 2HD2 LEU 44 5.540 3.316 6.348 313 H GLY 45 H GLY 45 8.476 3.867 5.211 314 HA2 GLY 45 1HA GLY 45 10.390 2.621 3.365 315 HA3 GLY 45 2HA GLY 45 10.481 2.662 5.115 316 H LYS 46 H LYS 46 7.254 2.069 4.434 317 HA LYS 46 HA LYS 46 5.964 0.270 4.330 318 HB2 LYS 46 1HB LYS 46 8.392 -1.375 3.571 319 HB3 LYS 46 2HB LYS 46 6.708 -1.791 3.328 320 HG2 LYS 46 1HG LYS 46 7.824 0.769 2.140 321 HG3 LYS 46 2HG LYS 46 8.089 -0.761 1.328 322 HD2 LYS 46 1HD LYS 46 6.047 -0.479 0.373 323 HD3 LYS 46 2HD LYS 46 5.359 -0.854 1.940 324 HE2 LYS 46 1HE LYS 46 5.743 1.827 0.624 325 HE3 LYS 46 2HE LYS 46 4.368 1.224 1.527 326 HZ1 LYS 46 2HZ LYS 46 5.204 2.242 3.328 327 HZ3 LYS 46 1HZ LYS 46 6.510 2.756 2.503 328 H ASP 47 H ASP 47 8.051 1.104 6.591 329 HA ASP 47 HA ASP 47 7.826 -1.350 8.120 330 HB2 ASP 47 1HB ASP 47 10.001 0.116 7.857 331 HB3 ASP 47 2HB ASP 47 9.236 1.189 9.012 332 HD2 ASP 47 HD ASP 47 11.425 0.268 10.059 333 H VAL 48 H VAL 48 5.412 0.127 7.601 334 HA VAL 48 HA VAL 48 4.628 0.729 10.294 335 HB VAL 48 HB VAL 48 4.585 2.877 8.165 336 HG11 VAL 48 1HG1 VAL 48 3.108 2.552 10.737 337 HG12 VAL 48 2HG1 VAL 48 3.754 4.167 10.360 338 HG13 VAL 48 3HG1 VAL 48 2.629 3.374 9.232 339 HG21 VAL 48 3HG2 VAL 48 5.939 4.141 9.880 340 HG22 VAL 48 1HG2 VAL 48 6.107 2.611 10.774 341 HG23 VAL 48 2HG2 VAL 48 6.772 2.758 9.129 342 H PHE 49 H PHE 49 3.696 1.166 6.805 343 HA PHE 49 HA PHE 49 1.140 1.095 6.693 344 HB2 PHE 49 1HB PHE 49 3.309 -0.474 5.356 345 HB3 PHE 49 2HB PHE 49 1.723 -1.187 5.139 346 HD1 PHE 49 1HD PHE 49 3.743 1.836 4.532 347 HD2 PHE 49 2HD PHE 49 0.109 -0.189 3.696 348 HE1 PHE 49 1HE PHE 49 3.267 3.457 2.675 349 HE2 PHE 49 2HE PHE 49 -0.367 1.432 1.839 350 HZ PHE 49 HZ PHE 49 1.218 3.235 1.351 351 H GLU 50 H GLU 50 -0.632 0.085 7.534 352 HA GLU 50 HA GLU 50 -0.105 -2.429 8.904 353 HB2 GLU 50 1HB GLU 50 -2.565 -0.715 9.343 354 HB3 GLU 50 2HB GLU 50 -1.843 -1.886 10.429 355 HG2 GLU 50 1HG GLU 50 0.269 -0.201 10.215 356 HG3 GLU 50 2HG GLU 50 -1.005 0.947 9.856 357 HE2 GLU 50 HE GLU 50 0.565 -0.633 12.254 358 H GLU 51 H GLU 51 -3.207 -2.668 9.073 359 HA GLU 51 HA GLU 51 -4.612 -4.028 8.077 360 HB2 GLU 51 1HB GLU 51 -4.313 -1.600 6.504 361 HB3 GLU 51 2HB GLU 51 -4.788 -2.921 5.456 362 HG2 GLU 51 1HG GLU 51 -6.913 -2.529 6.175 363 HG3 GLU 51 2HG GLU 51 -6.435 -3.329 7.659 364 HE2 GLU 51 HE GLU 51 -8.120 -1.599 8.490 365 H LEU 52 H LEU 52 -4.999 -4.816 5.333 366 HA LEU 52 HA LEU 52 -2.471 -6.100 4.642 367 HB2 LEU 52 1HB LEU 52 -4.035 -8.177 4.198 368 HB3 LEU 52 2HB LEU 52 -3.225 -7.914 5.730 369 HG LEU 52 HG LEU 52 -6.011 -6.860 5.340 370 HD11 LEU 52 1HD1 LEU 52 -6.801 -9.084 6.323 371 HD12 LEU 52 2HD1 LEU 52 -6.378 -9.054 4.594 372 HD13 LEU 52 3HD1 LEU 52 -5.240 -9.744 5.777 373 HD21 LEU 52 3HD2 LEU 52 -6.139 -7.379 7.779 374 HD22 LEU 52 1HD2 LEU 52 -4.421 -7.845 7.722 375 HD23 LEU 52 2HD2 LEU 52 -4.903 -6.172 7.349 376 H ALA 53 H ALA 53 -3.138 -7.525 2.456 377 HA ALA 53 HA ALA 53 -4.881 -5.867 0.817 378 HB1 ALA 53 1HB ALA 53 -3.157 -4.786 -0.138 379 HB2 ALA 53 2HB ALA 53 -1.981 -5.744 0.793 380 HB3 ALA 53 3HB ALA 53 -2.589 -6.351 -0.766 381 H SER 54 H SER 54 -4.468 -7.016 -1.639 382 HA SER 54 HA SER 54 -4.866 -8.771 -2.853 383 HB2 SER 54 1HB SER 54 -2.880 -9.861 -2.128 384 HB3 SER 54 2HB SER 54 -3.518 -10.167 -0.525 385 HG SER 54 HG SER 54 -3.453 -11.948 -2.351 386 H GLU 55 H GLU 55 -6.865 -9.648 -3.321 387 HA GLU 55 HA GLU 55 -8.713 -9.835 -1.146 388 HB2 GLU 55 1HB GLU 55 -10.388 -10.230 -2.963 389 HB3 GLU 55 2HB GLU 55 -9.456 -8.767 -3.205 390 HG2 GLU 55 1HG GLU 55 -8.662 -9.526 -5.190 391 HG3 GLU 55 2HG GLU 55 -8.052 -10.988 -4.442 392 HE2 GLU 55 HE GLU 55 -10.836 -10.597 -6.841 393 H ALA 56 H ALA 56 -9.368 -11.700 -0.133 394 HA ALA 56 HA ALA 56 -8.363 -14.206 -1.284 395 HB1 ALA 56 1HB ALA 56 -7.783 -14.797 0.818 396 HB2 ALA 56 2HB ALA 56 -8.025 -13.084 1.238 397 HB3 ALA 56 3HB ALA 56 -9.341 -14.256 1.488 398 H LYS 57 H LYS 57 -9.905 -16.124 -0.280 399 HA LYS 57 HA LYS 57 -12.631 -15.322 -1.032 400 HB2 LYS 57 1HB LYS 57 -12.931 -17.386 -2.146 401 HB3 LYS 57 2HB LYS 57 -11.394 -16.754 -2.701 402 HG2 LYS 57 1HG LYS 57 -10.699 -18.246 -0.421 403 HG3 LYS 57 2HG LYS 57 -11.962 -19.206 -1.163 404 HD2 LYS 57 1HD LYS 57 -10.399 -18.426 -3.356 405 HD3 LYS 57 2HD LYS 57 -9.207 -18.687 -2.098 406 HE2 LYS 57 1HE LYS 57 -9.404 -20.932 -2.349 407 HE3 LYS 57 2HE LYS 57 -11.104 -20.847 -1.930 408 HZ1 LYS 57 2HZ LYS 57 -11.700 -20.938 -4.112 409 HZ3 LYS 57 1HZ LYS 57 -10.224 -21.584 -4.348 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -12.384 -7.191 -0.499 2 HA2 GLY 1 1HA GLY 1 -9.579 -7.718 -1.190 3 HA3 GLY 1 2HA GLY 1 -10.444 -6.471 -2.066 4 HA PRO 2 HA PRO 2 -9.496 -5.051 2.409 5 HB2 PRO 2 2HB PRO 2 -7.226 -6.019 3.493 6 HB3 PRO 2 3HB PRO 2 -8.704 -7.033 3.424 7 HG2 PRO 2 2HG PRO 2 -6.560 -6.828 1.804 8 HG3 PRO 2 3HG PRO 2 -7.001 -8.553 2.018 9 HD2 PRO 2 2HD PRO 2 -7.563 -7.302 -0.300 10 HD3 PRO 2 3HD PRO 2 -8.813 -8.341 0.449 11 H ARG 3 H ARG 3 -8.320 -3.091 2.853 12 HA ARG 3 HA ARG 3 -6.133 -2.626 0.992 13 HB2 ARG 3 1HB ARG 3 -6.982 -0.155 1.019 14 HB3 ARG 3 2HB ARG 3 -7.875 -1.309 0.047 15 HG2 ARG 3 1HG ARG 3 -8.633 -0.633 2.925 16 HG3 ARG 3 2HG ARG 3 -9.292 0.220 1.543 17 HD2 ARG 3 1HD ARG 3 -10.835 -1.419 1.257 18 HD3 ARG 3 2HD ARG 3 -9.556 -2.585 0.983 19 HE ARG 3 HE ARG 3 -9.679 -2.195 3.780 20 HH11 ARG 3 2HH2 ARG 3 -11.808 -3.426 1.229 21 HH12 ARG 3 1HH2 ARG 3 -12.662 -4.498 2.288 22 HH22 ARG 3 1HH ARG 3 -12.056 -4.590 4.605 23 H MET 4 H MET 4 -4.431 -1.206 1.804 24 HA MET 4 HA MET 4 -4.555 -0.950 4.704 25 HB2 MET 4 1HB MET 4 -1.996 -0.723 3.086 26 HB3 MET 4 2HB MET 4 -2.203 -1.328 4.718 27 HG2 MET 4 1HG MET 4 -2.111 -3.413 3.797 28 HG3 MET 4 2HG MET 4 -3.746 -3.118 3.240 29 HE1 MET 4 3HE MET 4 -0.481 -4.118 2.552 30 HE2 MET 4 1HE MET 4 -0.135 -3.870 0.824 31 HE3 MET 4 2HE MET 4 0.163 -2.557 1.989 32 H GLN 5 H GLN 5 -3.587 0.994 5.703 33 HA GLN 5 HA GLN 5 -3.457 3.223 3.832 34 HB2 GLN 5 1HB GLN 5 -4.893 3.170 6.522 35 HB3 GLN 5 2HB GLN 5 -4.596 4.631 5.601 36 HG2 GLN 5 1HG GLN 5 -6.500 4.235 4.438 37 HG3 GLN 5 2HG GLN 5 -5.741 2.818 3.741 38 HE21 GLN 5 1HE2 GLN 5 -6.085 0.783 4.618 39 HE22 GLN 5 2HE2 GLN 5 -7.401 0.424 5.686 40 H CYS 6 H CYS 6 -1.946 4.895 4.379 41 HA CYS 6 HA CYS 6 0.064 3.970 6.254 42 HB2 CYS 6 1HB CYS 6 1.066 6.268 5.100 43 HB3 CYS 6 2HB CYS 6 1.377 4.629 4.563 44 H SER 7 H SER 7 0.879 5.417 7.950 45 HA SER 7 HA SER 7 -1.214 7.209 8.840 46 HB2 SER 7 1HB SER 7 -0.229 7.015 11.046 47 HB3 SER 7 2HB SER 7 -0.356 5.404 10.369 48 HG SER 7 HG SER 7 1.797 5.211 10.300 49 H VAL 8 H VAL 8 -0.158 8.492 6.804 50 HA VAL 8 HA VAL 8 1.378 10.593 8.029 51 HB VAL 8 HB VAL 8 2.491 9.015 5.700 52 HG11 VAL 8 1HG1 VAL 8 3.371 11.591 7.023 53 HG12 VAL 8 2HG1 VAL 8 4.479 10.578 6.066 54 HG13 VAL 8 3HG1 VAL 8 3.035 11.284 5.302 55 HG21 VAL 8 3HG2 VAL 8 3.424 9.286 8.575 56 HG22 VAL 8 1HG2 VAL 8 2.865 7.809 7.753 57 HG23 VAL 8 2HG2 VAL 8 4.395 8.575 7.264 58 H CYS 9 H CYS 9 0.296 9.200 4.849 59 HA CYS 9 HA CYS 9 -0.672 11.877 4.185 60 HB2 CYS 9 1HB CYS 9 -0.351 11.413 1.942 61 HB3 CYS 9 2HB CYS 9 0.989 10.551 2.673 62 H GLN 10 H GLN 10 -1.488 8.396 4.534 63 HA GLN 10 HA GLN 10 -3.419 7.501 5.107 64 HB2 GLN 10 1HB GLN 10 -4.044 10.154 5.604 65 HB3 GLN 10 2HB GLN 10 -5.251 9.728 4.406 66 HG2 GLN 10 1HG GLN 10 -4.696 8.102 6.933 67 HG3 GLN 10 2HG GLN 10 -5.978 9.288 6.790 68 HE21 GLN 10 1HE2 GLN 10 -7.738 8.921 5.451 69 HE22 GLN 10 2HE2 GLN 10 -8.164 7.350 4.859 70 H TRP 11 H TRP 11 -2.408 6.763 2.816 71 HA TRP 11 HA TRP 11 -4.404 7.254 0.728 72 HB2 TRP 11 1HB TRP 11 -2.072 7.737 0.163 73 HB3 TRP 11 2HB TRP 11 -1.617 6.093 0.563 74 HD1 TRP 11 HD TRP 11 -3.952 7.883 -2.009 75 HE1 TRP 11 1HE TRP 11 -4.058 6.519 -4.266 76 HE3 TRP 11 3HE TRP 11 -1.107 3.988 -0.400 77 HZ2 TRP 11 2HZ TRP 11 -2.964 4.021 -5.106 78 HZ3 TRP 11 3HZ TRP 11 -0.673 2.127 -2.001 79 HH2 TRP 11 HH TRP 11 -1.550 2.102 -4.283 80 H ILE 12 H ILE 12 -5.699 5.565 -0.015 81 HA ILE 12 HA ILE 12 -5.530 3.116 1.558 82 HB ILE 12 HB ILE 12 -7.686 4.411 -0.091 83 HG12 ILE 12 1HG1 ILE 12 -7.479 3.634 2.833 84 HG13 ILE 12 2HG1 ILE 12 -7.393 5.258 2.179 85 HG21 ILE 12 1HG2 ILE 12 -7.268 1.613 0.183 86 HG22 ILE 12 2HG2 ILE 12 -8.654 2.058 1.208 87 HG23 ILE 12 3HG2 ILE 12 -8.660 2.468 -0.524 88 HD11 ILE 12 3HD1 ILE 12 -9.744 4.621 1.091 89 HD12 ILE 12 1HD1 ILE 12 -9.776 3.423 2.407 90 HD13 ILE 12 2HD1 ILE 12 -9.645 5.158 2.785 91 H TYR 13 H TYR 13 -4.739 1.313 0.770 92 HA TYR 13 HA TYR 13 -3.995 1.236 -2.091 93 HB2 TYR 13 1HB TYR 13 -2.231 0.774 -0.500 94 HB3 TYR 13 2HB TYR 13 -3.226 -0.445 0.315 95 HD1 TYR 13 2HD TYR 13 -3.702 -2.616 -0.784 96 HD2 TYR 13 1HD TYR 13 -1.038 0.270 -2.524 97 HE1 TYR 13 2HE TYR 13 -2.778 -4.368 -2.275 98 HE2 TYR 13 1HE TYR 13 -0.114 -1.482 -4.015 99 HH TYR 13 HH TYR 13 -0.655 -3.672 -4.935 100 H ASP 14 H ASP 14 -5.848 0.619 -3.274 101 HA ASP 14 HA ASP 14 -7.375 -1.570 -2.193 102 HB2 ASP 14 1HB ASP 14 -7.771 -0.076 -4.824 103 HB3 ASP 14 2HB ASP 14 -8.947 -1.092 -4.014 104 HD2 ASP 14 HD ASP 14 -8.950 2.638 -3.630 105 HA PRO 15 HA PRO 15 -4.724 -4.337 -4.567 106 HB2 PRO 15 2HB PRO 15 -6.842 -6.288 -3.698 107 HB3 PRO 15 3HB PRO 15 -5.065 -6.307 -3.455 108 HG2 PRO 15 2HG PRO 15 -6.792 -5.740 -1.412 109 HG3 PRO 15 3HG PRO 15 -5.149 -5.058 -1.642 110 HD2 PRO 15 2HD PRO 15 -7.887 -3.864 -2.280 111 HD3 PRO 15 3HD PRO 15 -6.454 -3.073 -1.557 112 H ALA 16 H ALA 16 -8.150 -3.556 -4.969 113 HA ALA 16 HA ALA 16 -8.585 -5.250 -7.201 114 HB1 ALA 16 1HB ALA 16 -10.702 -4.483 -6.985 115 HB2 ALA 16 2HB ALA 16 -10.121 -3.681 -5.506 116 HB3 ALA 16 3HB ALA 16 -10.183 -2.781 -7.040 117 H LYS 17 H LYS 17 -6.760 -2.356 -6.685 118 HA LYS 17 HA LYS 17 -6.443 -2.115 -9.577 119 HB2 LYS 17 1HB LYS 17 -6.522 0.435 -8.046 120 HB3 LYS 17 2HB LYS 17 -6.968 0.102 -9.707 121 HG2 LYS 17 1HG LYS 17 -8.583 -0.875 -7.306 122 HG3 LYS 17 2HG LYS 17 -8.922 0.623 -8.149 123 HD2 LYS 17 1HD LYS 17 -8.650 -1.580 -10.057 124 HD3 LYS 17 2HD LYS 17 -9.842 -1.975 -8.835 125 HE2 LYS 17 1HE LYS 17 -10.338 0.745 -9.522 126 HE3 LYS 17 2HE LYS 17 -10.039 -0.072 -11.043 127 HZ1 LYS 17 2HZ LYS 17 -11.804 -1.566 -10.637 128 HZ3 LYS 17 1HZ LYS 17 -12.410 -0.138 -10.141 129 H GLY 18 H GLY 18 -5.254 -0.186 -6.757 130 HA2 GLY 18 1HA GLY 18 -3.197 -0.068 -5.824 131 HA3 GLY 18 2HA GLY 18 -2.728 -1.524 -6.678 132 H GLU 19 H GLU 19 -0.679 -0.739 -7.355 133 HA GLU 19 HA GLU 19 -0.895 1.340 -9.388 134 HB2 GLU 19 1HB GLU 19 1.031 1.080 -7.095 135 HB3 GLU 19 2HB GLU 19 1.660 1.704 -8.607 136 HG2 GLU 19 1HG GLU 19 -0.796 2.816 -7.167 137 HG3 GLU 19 2HG GLU 19 0.812 3.505 -7.059 138 HE2 GLU 19 HE GLU 19 -1.943 3.294 -9.036 139 HA PRO 20 HA PRO 20 0.549 -2.938 -10.864 140 HB2 PRO 20 2HB PRO 20 -0.804 -2.366 -13.313 141 HB3 PRO 20 3HB PRO 20 -1.394 -3.391 -11.964 142 HG2 PRO 20 2HG PRO 20 -1.959 -0.520 -12.514 143 HG3 PRO 20 3HG PRO 20 -3.217 -1.651 -11.917 144 HD2 PRO 20 2HD PRO 20 -2.106 -0.023 -10.153 145 HD3 PRO 20 3HD PRO 20 -2.112 -1.764 -9.740 146 H MET 21 H MET 21 0.675 0.470 -11.898 147 HA MET 21 HA MET 21 2.670 -0.204 -13.875 148 HB2 MET 21 1HB MET 21 1.238 2.367 -13.033 149 HB3 MET 21 2HB MET 21 2.568 2.399 -14.175 150 HG2 MET 21 1HG MET 21 0.728 2.221 -15.624 151 HG3 MET 21 2HG MET 21 1.190 0.539 -15.458 152 HE1 MET 21 3HE MET 21 -0.149 -1.199 -14.790 153 HE2 MET 21 1HE MET 21 -1.887 -1.093 -14.418 154 HE3 MET 21 2HE MET 21 -1.277 -0.525 -15.991 155 H GLN 22 H GLN 22 3.095 -0.550 -10.888 156 HA GLN 22 HA GLN 22 5.547 0.985 -10.816 157 HB2 GLN 22 1HB GLN 22 3.801 2.235 -9.491 158 HB3 GLN 22 2HB GLN 22 3.628 0.837 -8.450 159 HG2 GLN 22 1HG GLN 22 5.675 1.171 -7.410 160 HG3 GLN 22 2HG GLN 22 6.430 1.816 -8.854 161 HE21 GLN 22 1HE2 GLN 22 4.264 2.491 -6.178 162 HE22 GLN 22 2HE2 GLN 22 4.394 4.218 -6.190 163 H ASP 23 H ASP 23 4.670 -1.874 -11.336 164 HA ASP 23 HA ASP 23 5.611 -3.815 -10.988 165 HB2 ASP 23 1HB ASP 23 7.035 -2.745 -8.517 166 HB3 ASP 23 2HB ASP 23 7.476 -4.149 -9.469 167 HD2 ASP 23 HD ASP 23 8.942 -3.790 -11.013 168 H VAL 24 H VAL 24 3.109 -2.798 -9.734 169 HA VAL 24 HA VAL 24 2.791 -4.885 -7.769 170 HB VAL 24 HB VAL 24 2.152 -2.025 -7.037 171 HG11 VAL 24 1HG1 VAL 24 1.340 -2.807 -5.048 172 HG12 VAL 24 2HG1 VAL 24 0.968 -4.218 -6.068 173 HG13 VAL 24 3HG1 VAL 24 2.417 -4.225 -5.034 174 HG21 VAL 24 3HG2 VAL 24 4.518 -3.728 -6.184 175 HG22 VAL 24 1HG2 VAL 24 4.571 -2.241 -7.161 176 HG23 VAL 24 2HG2 VAL 24 4.059 -2.169 -5.457 177 H ALA 25 H ALA 25 1.320 -5.889 -9.149 178 HA ALA 25 HA ALA 25 -0.809 -4.296 -10.286 179 HB1 ALA 25 1HB ALA 25 0.584 -6.625 -11.003 180 HB2 ALA 25 2HB ALA 25 -1.043 -7.193 -10.559 181 HB3 ALA 25 3HB ALA 25 -0.848 -5.948 -11.815 182 HA PRO 26 HA PRO 26 -4.093 -4.993 -7.511 183 HB2 PRO 26 2HB PRO 26 -5.519 -6.660 -9.583 184 HB3 PRO 26 3HB PRO 26 -6.030 -5.167 -8.729 185 HG2 PRO 26 2HG PRO 26 -5.230 -5.059 -11.353 186 HG3 PRO 26 3HG PRO 26 -4.983 -3.850 -10.051 187 HD2 PRO 26 2HD PRO 26 -3.062 -5.942 -11.188 188 HD3 PRO 26 3HD PRO 26 -2.747 -4.225 -10.790 189 H GLY 27 H GLY 27 -5.440 -6.803 -6.375 190 HA2 GLY 27 1HA GLY 27 -5.221 -8.663 -5.097 191 HA3 GLY 27 2HA GLY 27 -5.213 -9.459 -6.658 192 H THR 28 H THR 28 -2.876 -7.515 -4.647 193 HA THR 28 HA THR 28 -0.903 -9.644 -5.154 194 HB THR 28 HB THR 28 -0.603 -6.599 -5.141 195 HG1 THR 28 1HG THR 28 0.016 -7.139 -7.331 196 HG21 THR 28 3HG2 THR 28 1.640 -8.554 -5.724 197 HG22 THR 28 1HG2 THR 28 1.744 -6.841 -5.253 198 HG23 THR 28 2HG2 THR 28 1.331 -8.074 -4.038 199 HA PRO 29 HA PRO 29 -0.655 -9.997 -0.819 200 HB2 PRO 29 2HB PRO 29 1.609 -11.476 -0.632 201 HB3 PRO 29 3HB PRO 29 0.142 -12.122 -1.438 202 HG2 PRO 29 2HG PRO 29 2.273 -10.776 -2.383 203 HG3 PRO 29 3HG PRO 29 1.982 -12.265 -3.341 204 HD2 PRO 29 2HD PRO 29 1.172 -10.072 -4.468 205 HD3 PRO 29 3HD PRO 29 -0.129 -11.271 -4.197 206 H TRP 30 H TRP 30 -0.194 -8.128 0.364 207 HA TRP 30 HA TRP 30 1.750 -6.302 -0.258 208 HB2 TRP 30 1HB TRP 30 -0.022 -5.758 1.235 209 HB3 TRP 30 2HB TRP 30 0.450 -7.005 2.372 210 HD1 TRP 30 HD TRP 30 1.935 -6.151 4.351 211 HE1 TRP 30 1HE TRP 30 3.400 -4.039 4.949 212 HE3 TRP 30 3HE TRP 30 1.516 -3.918 -0.199 213 HZ2 TRP 30 2HZ TRP 30 4.201 -1.724 3.486 214 HZ3 TRP 30 3HZ TRP 30 2.670 -1.733 -0.530 215 HH2 TRP 30 HH TRP 30 3.977 -0.638 1.221 216 H SER 31 H SER 31 2.010 -9.511 1.117 217 HA SER 31 HA SER 31 4.480 -9.047 2.417 218 HB2 SER 31 1HB SER 31 3.898 -11.015 3.352 219 HB3 SER 31 2HB SER 31 2.549 -11.152 2.242 220 HG SER 31 HG SER 31 3.760 -12.381 0.832 221 H GLU 32 H GLU 32 3.504 -10.914 -0.558 222 HA GLU 32 HA GLU 32 6.089 -11.423 -1.373 223 HB2 GLU 32 1HB GLU 32 3.660 -12.257 -2.189 224 HB3 GLU 32 2HB GLU 32 3.930 -11.053 -3.434 225 HG2 GLU 32 1HG GLU 32 6.237 -12.149 -3.815 226 HG3 GLU 32 2HG GLU 32 5.693 -13.452 -2.777 227 HE2 GLU 32 HE GLU 32 5.184 -15.108 -4.495 228 H VAL 33 H VAL 33 4.085 -8.530 -1.600 229 HA VAL 33 HA VAL 33 4.946 -7.197 -3.747 230 HB VAL 33 HB VAL 33 4.356 -6.397 -0.932 231 HG11 VAL 33 1HG1 VAL 33 4.581 -4.005 -1.525 232 HG12 VAL 33 2HG1 VAL 33 6.145 -4.855 -1.540 233 HG13 VAL 33 3HG1 VAL 33 5.326 -4.472 -3.073 234 HG21 VAL 33 3HG2 VAL 33 3.099 -5.758 -3.622 235 HG22 VAL 33 1HG2 VAL 33 2.507 -6.932 -2.421 236 HG23 VAL 33 2HG2 VAL 33 2.498 -5.192 -2.045 237 HA PRO 34 HA PRO 34 9.319 -7.077 -3.779 238 HB2 PRO 34 2HB PRO 34 8.917 -4.494 -5.260 239 HB3 PRO 34 3HB PRO 34 9.733 -6.011 -5.758 240 HG2 PRO 34 2HG PRO 34 7.240 -5.400 -6.835 241 HG3 PRO 34 3HG PRO 34 7.986 -6.963 -6.368 242 HD2 PRO 34 2HD PRO 34 6.028 -5.186 -4.805 243 HD3 PRO 34 3HD PRO 34 5.894 -6.934 -5.166 244 H ASP 35 H ASP 35 10.265 -6.555 -1.786 245 HA ASP 35 HA ASP 35 9.505 -4.447 -0.241 246 HB2 ASP 35 1HB ASP 35 12.358 -5.507 -0.378 247 HB3 ASP 35 2HB ASP 35 11.542 -4.843 1.023 248 HD2 ASP 35 HD ASP 35 12.591 -7.643 -0.022 249 H ASN 36 H ASN 36 9.612 -2.263 -0.794 250 HA ASN 36 HA ASN 36 11.777 -0.811 -1.062 251 HB2 ASN 36 1HB ASN 36 12.710 -1.831 -2.995 252 HB3 ASN 36 2HB ASN 36 11.143 -2.109 -3.729 253 HD21 ASN 36 1HD2 ASN 36 10.410 -0.743 -5.189 254 HD22 ASN 36 2HD2 ASN 36 11.059 0.818 -5.565 255 H PHE 37 H PHE 37 8.936 -1.413 -3.279 256 HA PHE 37 HA PHE 37 8.081 0.915 -4.015 257 HB2 PHE 37 1HB PHE 37 6.726 -1.119 -4.244 258 HB3 PHE 37 2HB PHE 37 6.583 -1.294 -2.506 259 HD1 PHE 37 2HD PHE 37 5.316 0.629 -1.269 260 HD2 PHE 37 1HD PHE 37 5.000 -0.124 -5.433 261 HE1 PHE 37 2HE PHE 37 3.128 1.857 -1.325 262 HE2 PHE 37 1HE PHE 37 2.812 1.105 -5.489 263 HZ PHE 37 HZ PHE 37 1.902 2.081 -3.435 264 H LEU 38 H LEU 38 7.638 2.926 -3.230 265 HA LEU 38 HA LEU 38 7.079 3.107 -0.351 266 HB2 LEU 38 1HB LEU 38 8.667 5.043 -2.041 267 HB3 LEU 38 2HB LEU 38 8.281 5.229 -0.342 268 HG LEU 38 HG LEU 38 10.077 3.129 -1.581 269 HD11 LEU 38 1HD1 LEU 38 11.874 4.215 -0.446 270 HD12 LEU 38 2HD1 LEU 38 10.975 5.458 -1.347 271 HD13 LEU 38 3HD1 LEU 38 10.757 5.303 0.413 272 HD21 LEU 38 3HD2 LEU 38 8.718 2.200 0.280 273 HD22 LEU 38 1HD2 LEU 38 10.465 2.240 0.621 274 HD23 LEU 38 2HD2 LEU 38 9.387 3.455 1.350 275 H CYS 39 H CYS 39 5.419 4.506 0.290 276 HA CYS 39 HA CYS 39 3.302 4.800 -1.386 277 HB2 CYS 39 1HB CYS 39 3.378 5.051 1.150 278 HB3 CYS 39 2HB CYS 39 3.893 6.707 0.894 279 HA PRO 40 HA PRO 40 4.657 8.005 -4.141 280 HB2 PRO 40 2HB PRO 40 2.236 8.401 -5.387 281 HB3 PRO 40 3HB PRO 40 3.242 6.939 -5.648 282 HG2 PRO 40 2HG PRO 40 0.857 7.245 -3.860 283 HG3 PRO 40 3HG PRO 40 1.304 5.963 -5.033 284 HD2 PRO 40 2HD PRO 40 1.766 5.784 -2.299 285 HD3 PRO 40 3HD PRO 40 2.829 5.009 -3.513 286 H GLU 41 H GLU 41 2.815 8.327 -1.320 287 HA GLU 41 HA GLU 41 2.595 11.190 -1.832 288 HB2 GLU 41 1HB GLU 41 0.591 9.276 -0.680 289 HB3 GLU 41 2HB GLU 41 0.682 10.863 0.058 290 HG2 GLU 41 1HG GLU 41 0.267 10.315 -2.920 291 HG3 GLU 41 2HG GLU 41 -0.980 10.816 -1.795 292 HE2 GLU 41 HE GLU 41 -0.359 12.306 -3.954 293 H CYS 42 H CYS 42 3.193 8.506 0.470 294 HA CYS 42 HA CYS 42 4.803 10.362 2.026 295 HB2 CYS 42 1HB CYS 42 3.878 9.781 4.117 296 HB3 CYS 42 2HB CYS 42 2.502 10.132 3.089 297 H SER 43 H SER 43 5.762 8.623 0.079 298 HA SER 43 HA SER 43 6.582 6.511 -0.245 299 HB2 SER 43 1HB SER 43 8.287 8.314 1.422 300 HB3 SER 43 2HB SER 43 8.853 6.662 1.273 301 HG SER 43 HG SER 43 8.343 8.563 -0.842 302 H LEU 44 H LEU 44 7.809 6.863 3.119 303 HA LEU 44 HA LEU 44 7.525 5.649 4.948 304 HB2 LEU 44 1HB LEU 44 4.982 5.114 3.528 305 HB3 LEU 44 2HB LEU 44 5.427 3.965 4.774 306 HG LEU 44 HG LEU 44 4.985 6.942 5.094 307 HD11 LEU 44 1HD1 LEU 44 3.537 4.531 6.223 308 HD12 LEU 44 2HD1 LEU 44 3.198 6.229 6.637 309 HD13 LEU 44 3HD1 LEU 44 2.938 5.650 4.975 310 HD21 LEU 44 3HD2 LEU 44 6.295 4.964 6.935 311 HD22 LEU 44 1HD2 LEU 44 6.745 6.645 6.560 312 HD23 LEU 44 2HD2 LEU 44 5.339 6.311 7.599 313 H GLY 45 H GLY 45 8.634 3.855 5.646 314 HA2 GLY 45 1HA GLY 45 10.098 2.328 3.891 315 HA3 GLY 45 2HA GLY 45 9.741 1.899 5.552 316 H LYS 46 H LYS 46 7.185 1.218 5.778 317 HA LYS 46 HA LYS 46 5.694 0.113 3.896 318 HB2 LYS 46 1HB LYS 46 8.210 -1.405 4.044 319 HB3 LYS 46 2HB LYS 46 6.778 -2.403 4.195 320 HG2 LYS 46 1HG LYS 46 6.235 -0.505 2.115 321 HG3 LYS 46 2HG LYS 46 7.851 -1.117 1.823 322 HD2 LYS 46 1HD LYS 46 5.745 -3.138 2.549 323 HD3 LYS 46 2HD LYS 46 5.621 -2.403 0.963 324 HE2 LYS 46 1HE LYS 46 7.362 -3.631 0.167 325 HE3 LYS 46 2HE LYS 46 8.396 -3.145 1.496 326 HZ1 LYS 46 2HZ LYS 46 7.935 -5.570 1.447 327 HZ3 LYS 46 1HZ LYS 46 6.354 -5.292 1.717 328 H ASP 47 H ASP 47 7.470 -0.745 6.912 329 HA ASP 47 HA ASP 47 5.367 -2.247 7.963 330 HB2 ASP 47 1HB ASP 47 6.589 -1.920 10.144 331 HB3 ASP 47 2HB ASP 47 7.615 -2.497 8.846 332 HD2 ASP 47 HD ASP 47 9.030 -1.546 10.617 333 H VAL 48 H VAL 48 5.613 1.050 7.245 334 HA VAL 48 HA VAL 48 4.172 1.983 9.586 335 HB VAL 48 HB VAL 48 4.986 3.511 7.112 336 HG11 VAL 48 1HG1 VAL 48 5.149 5.216 9.256 337 HG12 VAL 48 2HG1 VAL 48 3.751 5.075 8.162 338 HG13 VAL 48 3HG1 VAL 48 3.765 4.192 9.708 339 HG21 VAL 48 3HG2 VAL 48 7.085 2.856 7.729 340 HG22 VAL 48 1HG2 VAL 48 6.891 4.220 8.857 341 HG23 VAL 48 2HG2 VAL 48 6.617 2.554 9.420 342 H PHE 49 H PHE 49 3.074 -0.048 7.592 343 HA PHE 49 HA PHE 49 0.726 1.532 6.805 344 HB2 PHE 49 1HB PHE 49 2.489 -0.485 5.458 345 HB3 PHE 49 2HB PHE 49 0.780 -0.821 5.267 346 HD1 PHE 49 1HD PHE 49 3.348 1.803 4.740 347 HD2 PHE 49 2HD PHE 49 -0.506 0.364 3.699 348 HE1 PHE 49 1HE PHE 49 3.227 3.476 2.872 349 HE2 PHE 49 2HE PHE 49 -0.627 2.037 1.832 350 HZ PHE 49 HZ PHE 49 1.241 3.573 1.441 351 H GLU 50 H GLU 50 -1.338 0.239 6.724 352 HA GLU 50 HA GLU 50 -1.765 -0.995 9.135 353 HB2 GLU 50 1HB GLU 50 -3.325 -1.042 6.524 354 HB3 GLU 50 2HB GLU 50 -3.928 -1.815 7.977 355 HG2 GLU 50 1HG GLU 50 -2.975 1.037 8.201 356 HG3 GLU 50 2HG GLU 50 -4.501 0.752 7.390 357 HE2 GLU 50 HE GLU 50 -4.421 2.054 9.685 358 H GLU 51 H GLU 51 -3.131 -3.075 6.752 359 HA GLU 51 HA GLU 51 -1.271 -4.850 6.096 360 HB2 GLU 51 1HB GLU 51 -1.477 -6.629 7.946 361 HB3 GLU 51 2HB GLU 51 -0.459 -5.246 8.293 362 HG2 GLU 51 1HG GLU 51 -2.503 -4.159 9.414 363 HG3 GLU 51 2HG GLU 51 -3.322 -5.699 9.246 364 HE2 GLU 51 HE GLU 51 -2.727 -6.995 11.534 365 H LEU 52 H LEU 52 -3.506 -4.125 4.867 366 HA LEU 52 HA LEU 52 -5.133 -6.538 4.991 367 HB2 LEU 52 1HB LEU 52 -5.981 -3.961 5.927 368 HB3 LEU 52 2HB LEU 52 -6.906 -4.390 4.501 369 HG LEU 52 HG LEU 52 -6.845 -6.710 6.126 370 HD11 LEU 52 1HD1 LEU 52 -8.172 -5.364 8.080 371 HD12 LEU 52 2HD1 LEU 52 -6.475 -5.889 8.185 372 HD13 LEU 52 3HD1 LEU 52 -6.862 -4.219 7.708 373 HD21 LEU 52 3HD2 LEU 52 -8.960 -6.736 5.454 374 HD22 LEU 52 1HD2 LEU 52 -9.321 -5.235 6.340 375 HD23 LEU 52 2HD2 LEU 52 -8.680 -5.157 4.681 376 H ALA 53 H ALA 53 -4.099 -7.225 3.073 377 HA ALA 53 HA ALA 53 -5.171 -5.974 0.714 378 HB1 ALA 53 1HB ALA 53 -3.354 -4.737 0.238 379 HB2 ALA 53 2HB ALA 53 -2.473 -5.401 1.635 380 HB3 ALA 53 3HB ALA 53 -2.436 -6.253 0.073 381 H SER 54 H SER 54 -4.633 -7.345 -1.258 382 HA SER 54 HA SER 54 -4.527 -9.262 -2.271 383 HB2 SER 54 1HB SER 54 -2.512 -10.189 -1.848 384 HB3 SER 54 2HB SER 54 -2.489 -9.501 -0.236 385 HG SER 54 HG SER 54 -3.818 -11.970 -0.975 386 H GLU 55 H GLU 55 -4.681 -10.358 1.201 387 HA GLU 55 HA GLU 55 -6.400 -11.168 2.334 388 HB2 GLU 55 1HB GLU 55 -7.834 -10.038 0.293 389 HB3 GLU 55 2HB GLU 55 -8.213 -11.728 0.029 390 HG2 GLU 55 1HG GLU 55 -8.342 -10.834 2.877 391 HG3 GLU 55 2HG GLU 55 -9.536 -10.110 1.818 392 HE2 GLU 55 HE GLU 55 -11.157 -11.850 0.865 393 H ALA 56 H ALA 56 -5.427 -13.083 2.940 394 HA ALA 56 HA ALA 56 -6.237 -15.453 1.610 395 HB1 ALA 56 1HB ALA 56 -4.437 -14.751 0.065 396 HB2 ALA 56 2HB ALA 56 -3.299 -14.668 1.431 397 HB3 ALA 56 3HB ALA 56 -3.995 -16.233 0.946 398 H LYS 57 H LYS 57 -4.460 -17.285 2.655 399 HA LYS 57 HA LYS 57 -3.547 -16.713 5.227 400 HB2 LYS 57 1HB LYS 57 -5.216 -17.557 6.665 401 HB3 LYS 57 2HB LYS 57 -6.029 -16.419 5.610 402 HG2 LYS 57 1HG LYS 57 -7.005 -18.175 4.282 403 HG3 LYS 57 2HG LYS 57 -5.928 -19.387 4.945 404 HD2 LYS 57 1HD LYS 57 -7.367 -18.108 7.123 405 HD3 LYS 57 2HD LYS 57 -8.517 -18.628 5.907 406 HE2 LYS 57 1HE LYS 57 -6.343 -20.427 7.081 407 HE3 LYS 57 2HE LYS 57 -7.999 -20.392 7.651 408 HZ1 LYS 57 2HZ LYS 57 -7.900 -22.123 6.062 409 HZ3 LYS 57 1HZ LYS 57 -7.054 -21.248 4.979
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