NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645436 | 6px7 | 30647 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 -12.434 13.490 -16.303 2 HA SER 1 HA SER 1 -10.543 15.698 -16.725 3 HB3 SER 1 2HB SER 1 -12.295 15.377 -14.691 4 HG SER 1 HG SER 1 -11.409 14.377 -13.013 5 H GLN 2 H GLN 2 -8.465 15.418 -15.366 6 HA GLN 2 HA GLN 2 -7.504 12.655 -15.404 7 HB3 GLN 2 2HB GLN 2 -5.321 14.006 -16.373 8 HG3 GLN 2 2HG GLN 2 -7.430 12.398 -17.742 9 HE21 GLN 2 1HE2 GLN 2 -5.115 11.416 -19.381 10 HE22 GLN 2 2HE2 GLN 2 -5.017 12.526 -20.700 11 H GLU 3 H GLU 3 -7.199 12.498 -13.241 12 HA GLU 3 HA GLU 3 -5.632 14.588 -11.901 13 HB3 GLU 3 2HB GLU 3 -7.663 14.144 -10.743 14 HG3 GLU 3 2HG GLU 3 -7.061 11.316 -11.328 15 H GLN 4 H GLN 4 -3.688 14.178 -10.958 16 HA GLN 4 HA GLN 4 -2.583 11.473 -11.346 17 HB3 GLN 4 2HB GLN 4 -0.428 13.229 -11.105 18 HG3 GLN 4 2HG GLN 4 -1.192 11.284 -12.853 19 HE21 GLN 4 1HE2 GLN 4 0.495 12.921 -15.012 20 HE22 GLN 4 2HE2 GLN 4 -0.755 13.464 -16.072 21 H ARG 5 H ARG 5 -3.065 10.690 -9.308 22 HA ARG 5 HA ARG 5 -1.558 11.939 -7.109 23 HB3 ARG 5 2HB ARG 5 -4.319 10.717 -6.995 24 HG3 ARG 5 2HG ARG 5 -2.581 11.695 -4.739 25 HD3 ARG 5 2HD ARG 5 -5.423 11.763 -5.048 26 HE ARG 5 HE ARG 5 -4.777 9.430 -3.770 27 HH11 ARG 5 1HH1 ARG 5 -6.356 12.400 -2.873 28 HH12 ARG 5 2HH1 ARG 5 -7.373 11.653 -1.685 29 HH21 ARG 5 1HH2 ARG 5 -6.109 8.435 -2.209 30 HH22 ARG 5 2HH2 ARG 5 -7.231 9.398 -1.308 31 H GLN 6 H GLN 6 -0.149 10.627 -6.153 32 HA GLN 6 HA GLN 6 -0.593 7.725 -6.287 33 HB3 GLN 6 2HB GLN 6 1.050 8.502 -8.032 34 HG3 GLN 6 2HG GLN 6 3.175 8.705 -6.010 35 HE21 GLN 6 1HE2 GLN 6 3.678 11.426 -7.026 36 HE22 GLN 6 2HE2 GLN 6 4.306 11.214 -8.621 37 H CYS 7 H CYS 7 -0.179 6.641 -4.446 38 HA CYS 7 HA CYS 7 0.613 8.211 -2.122 39 HB3 CYS 7 2HB CYS 7 -0.362 6.530 -0.796 40 H LYS 8 H LYS 8 1.479 5.086 -3.599 41 HA LYS 8 HA LYS 8 4.268 5.521 -3.079 42 HB3 LYS 8 2HB LYS 8 4.269 3.186 -1.809 43 HG3 LYS 8 2HG LYS 8 4.643 5.793 -0.995 44 HD3 LYS 8 2HD LYS 8 2.192 4.970 0.105 45 HE3 LYS 8 2HE LYS 8 4.424 4.979 2.135 46 HZ1 LYS 8 1HZ LYS 8 2.874 5.116 3.787 47 HZ2 LYS 8 2HZ LYS 8 1.609 4.536 2.827 48 HZ3 LYS 8 3HZ LYS 8 2.152 6.126 2.638 49 H LYS 9 H LYS 9 4.872 5.037 -5.107 50 HA LYS 9 HA LYS 9 3.717 2.818 -6.547 51 HB3 LYS 9 2HB LYS 9 5.158 3.513 -8.382 52 HG3 LYS 9 2HG LYS 9 4.574 6.226 -7.606 53 HD3 LYS 9 2HD LYS 9 3.834 4.271 -9.706 54 HE3 LYS 9 2HE LYS 9 2.320 6.805 -9.763 55 HZ1 LYS 9 1HZ LYS 9 1.957 5.397 -11.562 56 HZ2 LYS 9 2HZ LYS 9 0.607 5.131 -10.580 57 HZ3 LYS 9 3HZ LYS 9 1.872 4.008 -10.602 58 H ILE 10 H ILE 10 5.705 1.672 -7.928 59 HA ILE 10 HA ILE 10 6.756 -0.226 -6.149 60 HB ILE 10 HB ILE 10 7.739 0.392 -8.938 61 HG13 ILE 10 2HG1 ILE 10 6.186 -1.422 -9.629 62 HG21 ILE 10 1HG2 ILE 10 9.312 -1.089 -8.310 63 HG22 ILE 10 2HG2 ILE 10 8.350 -1.700 -6.966 64 HG23 ILE 10 3HG2 ILE 10 8.039 -2.273 -8.605 65 HD11 ILE 10 1HD1 ILE 10 4.874 -2.589 -8.261 66 HD12 ILE 10 2HD1 ILE 10 5.974 -2.060 -6.987 67 HD13 ILE 10 3HD1 ILE 10 4.477 -1.176 -7.283 68 H GLY 11 H GLY 11 8.414 -0.094 -4.795 69 HA2 GLY 11 2HA GLY 11 10.770 0.231 -4.430 70 HA3 GLY 11 3HA GLY 11 10.710 1.595 -5.536 71 H GLU 12 H GLU 12 8.004 1.768 -3.657 72 HA GLU 12 HA GLU 12 9.190 3.867 -2.026 73 HB3 GLU 12 2HB GLU 12 6.796 4.329 -1.404 74 HG3 GLU 12 2HG GLU 12 6.245 5.459 -3.333 75 H HIS 13 H HIS 13 8.118 4.041 0.262 76 HA HIS 13 HA HIS 13 8.595 1.463 1.584 77 HB3 HIS 13 2HB HIS 13 8.551 4.201 2.861 78 HD1 HIS 13 1HD HIS 13 7.657 3.270 5.087 79 HD2 HIS 13 2HD HIS 13 11.083 1.360 3.717 80 HE1 HIS 13 1HE HIS 13 8.477 1.890 7.023 81 H CYS 14 H CYS 14 7.140 0.585 3.011 82 HA CYS 14 HA CYS 14 4.821 1.955 3.932 83 HB3 CYS 14 2HB CYS 14 3.926 1.700 1.753 84 H TYR 15 H TYR 15 3.720 0.806 5.512 85 HA TYR 15 HA TYR 15 5.150 -1.505 6.540 86 HB3 TYR 15 2HB TYR 15 3.623 -1.211 8.513 87 HD1 TYR 15 1HD TYR 15 4.029 2.280 7.608 88 HD2 TYR 15 2HD TYR 15 5.977 -1.114 9.278 89 HE1 TYR 15 1HE TYR 15 5.770 3.746 8.540 90 HE2 TYR 15 2HE TYR 15 7.723 0.342 10.215 91 HH TYR 15 HH TYR 15 7.646 3.111 10.885 92 H VAL 16 H VAL 16 2.040 -0.700 5.145 93 HA VAL 16 HA VAL 16 1.417 -3.568 5.019 94 HB VAL 16 HB VAL 16 -1.004 -2.996 5.349 95 HG11 VAL 16 1HG1 VAL 16 0.299 -2.156 7.861 96 HG12 VAL 16 2HG1 VAL 16 -0.845 -3.464 7.555 97 HG13 VAL 16 3HG1 VAL 16 0.862 -3.673 7.160 98 HG21 VAL 16 1HG2 VAL 16 -0.302 -0.442 4.989 99 HG22 VAL 16 2HG2 VAL 16 -1.735 -0.920 5.899 100 HG23 VAL 16 3HG2 VAL 16 -0.248 -0.501 6.750 101 H ALA 17 H ALA 17 -0.590 -3.846 3.490 102 HA ALA 17 HA ALA 17 0.214 -2.918 0.930 103 HB1 ALA 17 1HB ALA 17 -2.047 -3.972 0.260 104 HB2 ALA 17 2HB ALA 17 -0.776 -5.016 0.896 105 HB3 ALA 17 3HB ALA 17 -2.109 -4.516 1.937 106 H ASP 18 H ASP 18 -2.473 -2.084 3.084 107 HA ASP 18 HA ASP 18 -3.892 -0.390 1.407 108 HB3 ASP 18 2HB ASP 18 -3.999 0.761 3.980 109 H GLU 19 H GLU 19 -0.963 0.194 3.242 110 HA GLU 19 HA GLU 19 -0.902 2.995 3.064 111 HB3 GLU 19 2HB GLU 19 1.683 2.529 3.178 112 HG3 GLU 19 2HG GLU 19 1.201 1.515 5.615 113 H CYS 20 H CYS 20 -0.023 0.489 0.794 114 HA CYS 20 HA CYS 20 1.184 2.401 -1.040 115 HB3 CYS 20 2HB CYS 20 0.871 -0.148 -2.260 116 H CYS 21 H CYS 21 0.130 3.356 -2.652 117 HA CYS 21 HA CYS 21 -2.643 3.172 -2.973 118 HB3 CYS 21 2HB CYS 21 -1.527 4.121 -5.404 119 H SER 22 H SER 22 -0.034 1.405 -4.454 120 HA SER 22 HA SER 22 -1.705 0.276 -6.527 121 HB3 SER 22 2HB SER 22 1.132 -0.359 -5.679 122 HG SER 22 HG SER 22 -0.415 -1.250 -7.883 123 H LYS 23 H LYS 23 -0.986 -0.392 -3.275 124 HA LYS 23 HA LYS 23 -1.613 -2.060 -1.861 125 HB3 LYS 23 2HB LYS 23 -3.482 -3.464 -2.452 126 HG3 LYS 23 2HG LYS 23 -4.716 -1.490 -3.981 127 HD3 LYS 23 2HD LYS 23 -4.501 -1.574 -0.975 128 HE3 LYS 23 2HE LYS 23 -6.882 -0.889 -2.679 129 HZ1 LYS 23 1HZ LYS 23 -6.736 0.435 -0.209 130 HZ2 LYS 23 2HZ LYS 23 -6.481 -1.215 0.063 131 HZ3 LYS 23 3HZ LYS 23 -7.883 -0.696 -0.729 132 H ARG 24 H ARG 24 0.813 -2.384 -3.056 133 HA ARG 24 HA ARG 24 0.941 -5.304 -3.403 134 HB3 ARG 24 2HB ARG 24 3.129 -4.401 -4.794 135 HG3 ARG 24 2HG ARG 24 1.922 -4.939 -6.845 136 HD3 ARG 24 2HD ARG 24 2.211 -6.638 -4.572 137 HE ARG 24 HE ARG 24 0.148 -7.603 -4.517 138 HH11 ARG 24 1HH1 ARG 24 0.913 -6.811 -7.820 139 HH12 ARG 24 2HH1 ARG 24 -0.506 -7.568 -8.466 140 HH21 ARG 24 1HH2 ARG 24 -1.723 -8.603 -5.357 141 HH22 ARG 24 2HH2 ARG 24 -2.004 -8.587 -7.064 142 H CYS 25 H CYS 25 1.279 -3.706 -1.015 143 HA CYS 25 HA CYS 25 4.139 -3.669 -0.507 144 HB3 CYS 25 2HB CYS 25 2.047 -3.203 1.594 145 H LEU 26 H LEU 26 5.161 -4.889 1.132 146 HA LEU 26 HA LEU 26 3.677 -7.242 2.081 147 HB3 LEU 26 2HB LEU 26 6.510 -7.347 1.067 148 HG LEU 26 HG LEU 26 5.595 -9.202 2.632 149 HD11 LEU 26 1HD1 LEU 26 4.177 -10.807 1.745 150 HD12 LEU 26 2HD1 LEU 26 4.432 -10.264 0.087 151 HD13 LEU 26 3HD1 LEU 26 3.455 -9.296 1.191 152 HD21 LEU 26 1HD2 LEU 26 7.132 -10.625 1.731 153 HD22 LEU 26 2HD2 LEU 26 7.599 -9.138 0.907 154 HD23 LEU 26 3HD2 LEU 26 6.601 -10.331 0.075 155 H PHE 27 H PHE 27 4.439 -8.163 4.028 156 HA PHE 27 HA PHE 27 5.418 -6.286 5.908 157 HB3 PHE 27 2HB PHE 27 5.620 -8.447 7.355 158 HD1 PHE 27 1HD PHE 27 4.221 -7.938 9.085 159 HD2 PHE 27 2HD PHE 27 2.750 -7.643 5.102 160 HE1 PHE 27 1HE PHE 27 2.037 -7.201 9.949 161 HE2 PHE 27 2HE PHE 27 0.565 -6.906 5.959 162 HZ PHE 27 HZ PHE 27 0.206 -6.684 8.386 163 H TYR 28 H TYR 28 6.938 -8.742 3.959 164 HA TYR 28 HA TYR 28 9.440 -8.598 5.419 165 HB3 TYR 28 2HB TYR 28 10.244 -10.179 3.656 166 HD1 TYR 28 1HD TYR 28 6.762 -11.227 3.818 167 HD2 TYR 28 2HD TYR 28 10.507 -11.291 5.838 168 HE1 TYR 28 1HE TYR 28 5.945 -13.043 5.263 169 HE2 TYR 28 2HE TYR 28 9.701 -13.107 7.287 170 HH TYR 28 HH TYR 28 6.394 -14.368 6.986 171 H ALA 29 H ALA 29 8.292 -7.803 2.145 172 HA ALA 29 HA ALA 29 10.714 -6.578 1.322 173 HB1 ALA 29 1HB ALA 29 8.299 -5.618 -0.012 174 HB2 ALA 29 2HB ALA 29 9.718 -6.429 -0.676 175 HB3 ALA 29 3HB ALA 29 8.424 -7.376 0.058 176 H ALA 30 H ALA 30 7.709 -5.326 2.700 177 HA ALA 30 HA ALA 30 7.186 -3.336 3.672 178 HB1 ALA 30 1HB ALA 30 8.694 -2.776 5.201 179 HB2 ALA 30 2HB ALA 30 9.832 -3.873 4.417 180 HB3 ALA 30 3HB ALA 30 9.794 -2.170 3.962 181 H LYS 31 H LYS 31 8.179 -3.634 0.690 182 HA LYS 31 HA LYS 31 7.802 -0.797 0.088 183 HB3 LYS 31 2HB LYS 31 10.148 -2.478 -0.718 184 HG3 LYS 31 2HG LYS 31 10.558 -0.351 -2.265 185 HD3 LYS 31 2HD LYS 31 9.540 -1.770 -4.162 186 HE3 LYS 31 2HE LYS 31 11.306 -3.641 -2.865 187 HZ1 LYS 31 1HZ LYS 31 11.600 -1.742 -5.122 188 HZ2 LYS 31 2HZ LYS 31 11.293 -3.403 -5.210 189 HZ3 LYS 31 3HZ LYS 31 12.799 -2.848 -4.674 190 H CYS 32 H CYS 32 6.640 -0.403 -1.743 191 HA CYS 32 HA CYS 32 4.906 -2.307 -2.739 192 HB3 CYS 32 2HB CYS 32 5.347 -0.425 -4.817 193 H VAL 33 H VAL 33 5.355 -4.119 -3.788 194 HA VAL 33 HA VAL 33 7.511 -4.086 -5.799 195 HB VAL 33 HB VAL 33 7.480 -6.641 -5.400 196 HG11 VAL 33 1HG1 VAL 33 8.894 -4.493 -4.186 197 HG12 VAL 33 2HG1 VAL 33 8.676 -5.766 -2.985 198 HG13 VAL 33 3HG1 VAL 33 9.454 -6.129 -4.526 199 HG21 VAL 33 1HG2 VAL 33 6.739 -6.142 -2.608 200 HG22 VAL 33 2HG2 VAL 33 5.397 -6.042 -3.748 201 HG23 VAL 33 3HG2 VAL 33 6.367 -7.512 -3.655 202 H SER 34 H SER 34 7.031 -4.665 -7.833 203 HA SER 34 HA SER 34 4.429 -4.739 -8.779 204 HB3 SER 34 2HB SER 34 6.971 -5.831 -9.999 205 HG SER 34 HG SER 34 5.254 -5.222 -11.873 Start of MODEL 2 1 H1 SER 1 H SER 1 -0.364 19.625 -17.176 2 HA SER 1 HA SER 1 1.748 20.063 -16.292 3 HB3 SER 1 2HB SER 1 1.617 20.937 -13.749 4 HG SER 1 HG SER 1 1.860 22.996 -14.620 5 H GLN 2 H GLN 2 -0.273 19.327 -13.455 6 HA GLN 2 HA GLN 2 1.421 17.248 -12.562 7 HB3 GLN 2 2HB GLN 2 -0.608 16.678 -11.097 8 HG3 GLN 2 2HG GLN 2 0.209 19.561 -10.936 9 HE21 GLN 2 1HE2 GLN 2 0.240 20.340 -8.793 10 HE22 GLN 2 2HE2 GLN 2 -0.722 19.603 -7.561 11 H GLU 3 H GLU 3 0.311 15.016 -12.023 12 HA GLU 3 HA GLU 3 -1.300 14.023 -14.232 13 HB3 GLU 3 2HB GLU 3 0.912 13.740 -15.133 14 HG3 GLU 3 2HG GLU 3 1.574 12.790 -12.416 15 H GLN 4 H GLN 4 -2.114 14.316 -11.651 16 HA GLN 4 HA GLN 4 -3.077 13.220 -9.906 17 HB3 GLN 4 2HB GLN 4 -3.485 10.678 -10.398 18 HG3 GLN 4 2HG GLN 4 -4.781 12.335 -12.480 19 HE21 GLN 4 1HE2 GLN 4 -5.423 10.234 -13.156 20 HE22 GLN 4 2HE2 GLN 4 -6.666 9.380 -12.311 21 H ARG 5 H ARG 5 -1.514 13.428 -8.349 22 HA ARG 5 HA ARG 5 0.838 11.853 -8.228 23 HB3 ARG 5 2HB ARG 5 -0.391 13.055 -5.778 24 HG3 ARG 5 2HG ARG 5 2.323 12.469 -6.760 25 HD3 ARG 5 2HD ARG 5 1.549 15.085 -5.634 26 HE ARG 5 HE ARG 5 3.168 13.556 -4.025 27 HH11 ARG 5 1HH1 ARG 5 3.496 16.508 -5.841 28 HH12 ARG 5 2HH1 ARG 5 4.667 17.195 -4.764 29 HH21 ARG 5 1HH2 ARG 5 4.709 14.449 -2.599 30 HH22 ARG 5 2HH2 ARG 5 5.357 16.021 -2.920 31 H GLN 6 H GLN 6 1.290 9.972 -7.190 32 HA GLN 6 HA GLN 6 -1.009 8.436 -6.234 33 HB3 GLN 6 2HB GLN 6 1.172 6.732 -6.238 34 HG3 GLN 6 2HG GLN 6 -0.325 7.074 -8.780 35 HE21 GLN 6 1HE2 GLN 6 -0.432 5.200 -9.889 36 HE22 GLN 6 2HE2 GLN 6 0.255 3.709 -9.351 37 H CYS 7 H CYS 7 -0.221 6.709 -4.494 38 HA CYS 7 HA CYS 7 0.650 8.305 -2.217 39 HB3 CYS 7 2HB CYS 7 -0.323 6.667 -0.839 40 H LYS 8 H LYS 8 1.427 5.139 -3.656 41 HA LYS 8 HA LYS 8 4.235 5.531 -3.207 42 HB3 LYS 8 2HB LYS 8 4.222 3.220 -1.895 43 HG3 LYS 8 2HG LYS 8 4.662 5.833 -1.137 44 HD3 LYS 8 2HD LYS 8 2.220 5.075 0.032 45 HE3 LYS 8 2HE LYS 8 4.497 5.079 2.011 46 HZ1 LYS 8 1HZ LYS 8 1.567 5.261 2.393 47 HZ2 LYS 8 2HZ LYS 8 2.763 6.287 3.004 48 HZ3 LYS 8 3HZ LYS 8 2.605 4.716 3.612 49 H LYS 9 H LYS 9 4.782 5.002 -5.238 50 HA LYS 9 HA LYS 9 3.556 2.779 -6.613 51 HB3 LYS 9 2HB LYS 9 4.969 3.416 -8.492 52 HG3 LYS 9 2HG LYS 9 4.454 6.151 -7.759 53 HD3 LYS 9 2HD LYS 9 2.569 5.628 -9.524 54 HE3 LYS 9 2HE LYS 9 5.085 5.246 -10.901 55 HZ1 LYS 9 1HZ LYS 9 4.193 6.814 -12.174 56 HZ2 LYS 9 2HZ LYS 9 4.002 7.887 -10.881 57 HZ3 LYS 9 3HZ LYS 9 2.811 6.728 -11.200 58 H ILE 10 H ILE 10 5.488 1.571 -8.017 59 HA ILE 10 HA ILE 10 6.545 -0.314 -6.228 60 HB ILE 10 HB ILE 10 7.475 0.234 -9.049 61 HG13 ILE 10 2HG1 ILE 10 5.871 -1.558 -9.673 62 HG21 ILE 10 1HG2 ILE 10 9.033 -1.266 -8.428 63 HG22 ILE 10 2HG2 ILE 10 8.089 -1.835 -7.052 64 HG23 ILE 10 3HG2 ILE 10 7.731 -2.430 -8.673 65 HD11 ILE 10 1HD1 ILE 10 4.571 -2.679 -8.255 66 HD12 ILE 10 2HD1 ILE 10 5.708 -2.149 -7.015 67 HD13 ILE 10 3HD1 ILE 10 4.221 -1.243 -7.293 68 H GLY 11 H GLY 11 8.233 -0.186 -4.911 69 HA2 GLY 11 2HA GLY 11 10.605 0.099 -4.607 70 HA3 GLY 11 3HA GLY 11 10.543 1.445 -5.737 71 H GLU 12 H GLU 12 7.887 1.701 -3.799 72 HA GLU 12 HA GLU 12 9.148 3.806 -2.233 73 HB3 GLU 12 2HB GLU 12 6.779 4.325 -1.567 74 HG3 GLU 12 2HG GLU 12 6.204 5.430 -3.504 75 H HIS 13 H HIS 13 8.131 4.041 0.074 76 HA HIS 13 HA HIS 13 8.591 1.477 1.431 77 HB3 HIS 13 2HB HIS 13 8.624 4.238 2.660 78 HD1 HIS 13 1HD HIS 13 7.768 3.364 4.923 79 HD2 HIS 13 2HD HIS 13 11.123 1.365 3.506 80 HE1 HIS 13 1HE HIS 13 8.609 2.001 6.864 81 H CYS 14 H CYS 14 7.153 0.653 2.907 82 HA CYS 14 HA CYS 14 4.879 2.081 3.853 83 HB3 CYS 14 2HB CYS 14 3.931 1.805 1.701 84 H TYR 15 H TYR 15 3.797 0.982 5.481 85 HA TYR 15 HA TYR 15 5.206 -1.336 6.517 86 HB3 TYR 15 2HB TYR 15 3.686 -0.979 8.506 87 HD1 TYR 15 1HD TYR 15 5.919 -0.970 9.451 88 HD2 TYR 15 2HD TYR 15 4.414 2.434 7.388 89 HE1 TYR 15 1HE TYR 15 7.750 0.390 10.372 90 HE2 TYR 15 2HE TYR 15 6.242 3.802 8.302 91 HH TYR 15 HH TYR 15 7.791 3.808 10.150 92 H VAL 16 H VAL 16 2.081 -0.499 5.177 93 HA VAL 16 HA VAL 16 1.406 -3.359 5.117 94 HB VAL 16 HB VAL 16 -1.015 -2.680 5.455 95 HG11 VAL 16 1HG1 VAL 16 0.400 -3.801 7.164 96 HG12 VAL 16 2HG1 VAL 16 0.810 -2.210 7.808 97 HG13 VAL 16 3HG1 VAL 16 -0.861 -2.775 7.849 98 HG21 VAL 16 1HG2 VAL 16 -0.182 -0.314 6.984 99 HG22 VAL 16 2HG2 VAL 16 -0.088 -0.139 5.231 100 HG23 VAL 16 3HG2 VAL 16 -1.617 -0.579 5.994 101 H ALA 17 H ALA 17 -0.643 -3.624 3.639 102 HA ALA 17 HA ALA 17 0.119 -2.757 1.046 103 HB1 ALA 17 1HB ALA 17 -2.177 -3.780 0.446 104 HB2 ALA 17 2HB ALA 17 -0.910 -4.837 1.072 105 HB3 ALA 17 3HB ALA 17 -2.209 -4.293 2.133 106 H ASP 18 H ASP 18 -2.502 -1.837 3.244 107 HA ASP 18 HA ASP 18 -3.929 -0.146 1.570 108 HB3 ASP 18 2HB ASP 18 -4.733 0.952 3.620 109 H GLU 19 H GLU 19 -0.948 0.416 3.327 110 HA GLU 19 HA GLU 19 -0.839 3.212 3.097 111 HB3 GLU 19 2HB GLU 19 1.802 2.299 2.950 112 HG3 GLU 19 2HG GLU 19 0.685 3.977 4.539 113 H CYS 20 H CYS 20 -0.059 0.650 0.853 114 HA CYS 20 HA CYS 20 1.140 2.506 -1.042 115 HB3 CYS 20 2HB CYS 20 0.751 -0.057 -2.209 116 H CYS 21 H CYS 21 0.068 3.452 -2.647 117 HA CYS 21 HA CYS 21 -2.714 3.314 -2.902 118 HB3 CYS 21 2HB CYS 21 -1.638 4.198 -5.375 119 H SER 22 H SER 22 -0.174 1.472 -4.408 120 HA SER 22 HA SER 22 -1.913 0.338 -6.423 121 HB3 SER 22 2HB SER 22 0.942 -0.273 -5.630 122 HG SER 22 HG SER 22 0.800 -1.338 -7.811 123 H LYS 23 H LYS 23 -1.132 -0.285 -3.176 124 HA LYS 23 HA LYS 23 -1.755 -1.916 -1.717 125 HB3 LYS 23 2HB LYS 23 -3.664 -3.294 -2.241 126 HG3 LYS 23 2HG LYS 23 -4.897 -1.327 -3.776 127 HD3 LYS 23 2HD LYS 23 -4.613 -1.360 -0.775 128 HE3 LYS 23 2HE LYS 23 -6.803 -0.450 -2.639 129 HZ1 LYS 23 1HZ LYS 23 -7.511 0.352 -0.182 130 HZ2 LYS 23 2HZ LYS 23 -6.854 -1.169 0.161 131 HZ3 LYS 23 3HZ LYS 23 -8.126 -1.027 -0.944 132 H ARG 24 H ARG 24 0.636 -2.306 -2.964 133 HA ARG 24 HA ARG 24 0.702 -5.233 -3.261 134 HB3 ARG 24 2HB ARG 24 2.874 -4.394 -4.716 135 HG3 ARG 24 2HG ARG 24 1.611 -4.949 -6.729 136 HD3 ARG 24 2HD ARG 24 0.549 -6.901 -4.770 137 HE ARG 24 HE ARG 24 2.388 -7.775 -6.776 138 HH11 ARG 24 1HH1 ARG 24 -0.896 -6.774 -6.203 139 HH12 ARG 24 2HH1 ARG 24 -1.535 -7.643 -7.559 140 HH21 ARG 24 1HH2 ARG 24 1.559 -8.923 -8.565 141 HH22 ARG 24 2HH2 ARG 24 -0.138 -8.866 -8.902 142 H CYS 25 H CYS 25 1.124 -3.600 -0.910 143 HA CYS 25 HA CYS 25 3.995 -3.607 -0.467 144 HB3 CYS 25 2HB CYS 25 1.963 -3.066 1.673 145 H LEU 26 H LEU 26 5.031 -4.817 1.170 146 HA LEU 26 HA LEU 26 3.528 -7.125 2.194 147 HB3 LEU 26 2HB LEU 26 6.334 -7.301 1.119 148 HG LEU 26 HG LEU 26 5.421 -9.110 2.738 149 HD11 LEU 26 1HD1 LEU 26 3.955 -10.704 1.912 150 HD12 LEU 26 2HD1 LEU 26 4.182 -10.195 0.239 151 HD13 LEU 26 3HD1 LEU 26 3.247 -9.190 1.345 152 HD21 LEU 26 1HD2 LEU 26 6.349 -10.304 0.180 153 HD22 LEU 26 2HD2 LEU 26 6.912 -10.578 1.830 154 HD23 LEU 26 3HD2 LEU 26 7.386 -9.113 0.967 155 H PHE 27 H PHE 27 4.317 -8.025 4.141 156 HA PHE 27 HA PHE 27 5.370 -6.134 5.962 157 HB3 PHE 27 2HB PHE 27 5.569 -8.275 7.442 158 HD1 PHE 27 1HD PHE 27 4.227 -7.699 9.198 159 HD2 PHE 27 2HD PHE 27 2.656 -7.459 5.249 160 HE1 PHE 27 1HE PHE 27 2.081 -6.904 10.103 161 HE2 PHE 27 2HE PHE 27 0.509 -6.663 6.147 162 HZ PHE 27 HZ PHE 27 0.219 -6.385 8.577 163 H TYR 28 H TYR 28 6.802 -8.651 4.027 164 HA TYR 28 HA TYR 28 9.338 -8.528 5.427 165 HB3 TYR 28 2HB TYR 28 10.074 -10.154 3.676 166 HD1 TYR 28 1HD TYR 28 6.578 -11.136 3.935 167 HD2 TYR 28 2HD TYR 28 10.366 -11.232 5.871 168 HE1 TYR 28 1HE TYR 28 5.763 -12.910 5.430 169 HE2 TYR 28 2HE TYR 28 9.561 -13.007 7.371 170 HH TYR 28 HH TYR 28 7.178 -14.900 6.868 171 H ALA 29 H ALA 29 8.132 -7.770 2.165 172 HA ALA 29 HA ALA 29 10.555 -6.606 1.266 173 HB1 ALA 29 1HB ALA 29 9.519 -6.549 -0.705 174 HB2 ALA 29 2HB ALA 29 8.164 -7.343 0.098 175 HB3 ALA 29 3HB ALA 29 8.186 -5.587 -0.064 176 H ALA 30 H ALA 30 7.606 -5.274 2.689 177 HA ALA 30 HA ALA 30 7.143 -3.257 3.636 178 HB1 ALA 30 1HB ALA 30 9.778 -2.135 3.845 179 HB2 ALA 30 2HB ALA 30 8.696 -2.697 5.119 180 HB3 ALA 30 3HB ALA 30 9.793 -3.831 4.332 181 H LYS 31 H LYS 31 8.061 -3.626 0.638 182 HA LYS 31 HA LYS 31 7.721 -0.794 -0.006 183 HB3 LYS 31 2HB LYS 31 10.018 -2.531 -0.835 184 HG3 LYS 31 2HG LYS 31 10.432 -0.440 -2.428 185 HD3 LYS 31 2HD LYS 31 9.346 -1.875 -4.275 186 HE3 LYS 31 2HE LYS 31 11.165 -3.634 -2.774 187 HZ1 LYS 31 1HZ LYS 31 11.936 -4.041 -4.812 188 HZ2 LYS 31 2HZ LYS 31 12.052 -2.402 -5.216 189 HZ3 LYS 31 3HZ LYS 31 10.574 -3.211 -5.378 190 H CYS 32 H CYS 32 6.525 -0.410 -1.817 191 HA CYS 32 HA CYS 32 4.735 -2.298 -2.739 192 HB3 CYS 32 2HB CYS 32 5.163 -0.461 -4.860 193 H VAL 33 H VAL 33 5.125 -4.137 -3.767 194 HA VAL 33 HA VAL 33 7.236 -4.179 -5.826 195 HB VAL 33 HB VAL 33 7.170 -6.724 -5.380 196 HG11 VAL 33 1HG1 VAL 33 8.648 -4.581 -4.237 197 HG12 VAL 33 2HG1 VAL 33 8.434 -5.829 -3.007 198 HG13 VAL 33 3HG1 VAL 33 9.171 -6.235 -4.557 199 HG21 VAL 33 1HG2 VAL 33 6.080 -7.547 -3.599 200 HG22 VAL 33 2HG2 VAL 33 6.501 -6.169 -2.581 201 HG23 VAL 33 3HG2 VAL 33 5.136 -6.059 -3.693 202 H SER 34 H SER 34 6.699 -4.786 -7.838 203 HA SER 34 HA SER 34 4.076 -4.827 -8.724 204 HB3 SER 34 2HB SER 34 6.625 -5.878 -9.941 205 HG SER 34 HG SER 34 5.429 -6.934 -11.300 Start of MODEL 3 1 H1 SER 1 H SER 1 -7.708 13.961 -14.453 2 HA SER 1 HA SER 1 -5.342 14.532 -15.874 3 HB3 SER 1 2HB SER 1 -7.844 16.112 -15.308 4 HG SER 1 HG SER 1 -5.724 16.934 -17.003 5 H GLN 2 H GLN 2 -6.861 16.579 -13.378 6 HA GLN 2 HA GLN 2 -4.153 17.324 -12.487 7 HB3 GLN 2 2HB GLN 2 -6.455 19.186 -12.104 8 HG3 GLN 2 2HG GLN 2 -3.796 20.050 -13.068 9 HE21 GLN 2 1HE2 GLN 2 -5.508 21.682 -13.654 10 HE22 GLN 2 2HE2 GLN 2 -5.867 22.890 -12.472 11 H GLU 3 H GLU 3 -5.583 15.144 -11.427 12 HA GLU 3 HA GLU 3 -5.600 15.883 -8.651 13 HB3 GLU 3 2HB GLU 3 -7.874 16.526 -9.215 14 HG3 GLU 3 2HG GLU 3 -8.042 13.787 -10.403 15 H GLN 4 H GLN 4 -3.912 14.200 -9.921 16 HA GLN 4 HA GLN 4 -4.778 11.551 -8.967 17 HB3 GLN 4 2HB GLN 4 -2.894 12.008 -11.279 18 HG3 GLN 4 2HG GLN 4 -4.256 9.598 -10.148 19 HE21 GLN 4 1HE2 GLN 4 -1.993 8.571 -12.151 20 HE22 GLN 4 2HE2 GLN 4 -2.922 8.256 -13.573 21 H ARG 5 H ARG 5 -3.786 12.171 -6.943 22 HA ARG 5 HA ARG 5 -0.871 12.406 -6.975 23 HB3 ARG 5 2HB ARG 5 -2.876 12.717 -4.735 24 HG3 ARG 5 2HG ARG 5 0.089 12.728 -4.718 25 HD3 ARG 5 2HD ARG 5 -0.705 15.090 -4.240 26 HE ARG 5 HE ARG 5 -2.399 13.812 -2.393 27 HH11 ARG 5 1HH1 ARG 5 -0.256 16.545 -2.646 28 HH12 ARG 5 2HH1 ARG 5 -1.106 17.485 -1.465 29 HH21 ARG 5 1HH2 ARG 5 -3.526 15.041 -0.836 30 HH22 ARG 5 2HH2 ARG 5 -2.965 16.628 -0.436 31 H GLN 6 H GLN 6 0.232 10.566 -6.953 32 HA GLN 6 HA GLN 6 -0.889 8.092 -6.079 33 HB3 GLN 6 2HB GLN 6 0.719 8.073 -7.868 34 HG3 GLN 6 2HG GLN 6 3.212 8.437 -6.800 35 HE21 GLN 6 1HE2 GLN 6 4.206 9.002 -8.583 36 HE22 GLN 6 2HE2 GLN 6 3.638 10.131 -9.761 37 H CYS 7 H CYS 7 -0.292 6.814 -4.308 38 HA CYS 7 HA CYS 7 0.557 8.354 -1.985 39 HB3 CYS 7 2HB CYS 7 -0.413 6.672 -0.657 40 H LYS 8 H LYS 8 1.362 5.233 -3.506 41 HA LYS 8 HA LYS 8 4.165 5.632 -3.031 42 HB3 LYS 8 2HB LYS 8 4.161 3.286 -1.781 43 HG3 LYS 8 2HG LYS 8 4.579 5.881 -0.951 44 HD3 LYS 8 2HD LYS 8 2.139 5.075 0.185 45 HE3 LYS 8 2HE LYS 8 4.406 5.042 2.175 46 HZ1 LYS 8 1HZ LYS 8 2.926 5.305 3.835 47 HZ2 LYS 8 2HZ LYS 8 1.660 4.553 3.002 48 HZ3 LYS 8 3HZ LYS 8 2.060 6.161 2.661 49 H LYS 9 H LYS 9 4.727 5.161 -5.073 50 HA LYS 9 HA LYS 9 3.523 2.967 -6.511 51 HB3 LYS 9 2HB LYS 9 4.941 3.663 -8.365 52 HG3 LYS 9 2HG LYS 9 4.394 6.374 -7.566 53 HD3 LYS 9 2HD LYS 9 4.401 5.394 -9.877 54 HE3 LYS 9 2HE LYS 9 1.939 4.086 -8.779 55 HZ1 LYS 9 1HZ LYS 9 1.137 3.722 -10.975 56 HZ2 LYS 9 2HZ LYS 9 2.461 4.513 -11.668 57 HZ3 LYS 9 3HZ LYS 9 1.322 5.392 -10.779 58 H ILE 10 H ILE 10 5.470 1.810 -7.939 59 HA ILE 10 HA ILE 10 6.532 -0.115 -6.195 60 HB ILE 10 HB ILE 10 7.472 0.518 -8.995 61 HG13 ILE 10 2HG1 ILE 10 5.886 -1.271 -9.675 62 HG21 ILE 10 1HG2 ILE 10 7.745 -2.155 -8.690 63 HG22 ILE 10 2HG2 ILE 10 9.038 -0.988 -8.412 64 HG23 ILE 10 3HG2 ILE 10 8.096 -1.599 -7.053 65 HD11 ILE 10 1HD1 ILE 10 5.714 -1.934 -7.038 66 HD12 ILE 10 2HD1 ILE 10 4.223 -1.030 -7.297 67 HD13 ILE 10 3HD1 ILE 10 4.586 -2.437 -8.296 68 H GLY 11 H GLY 11 8.214 -0.013 -4.869 69 HA2 GLY 11 2HA GLY 11 10.581 0.283 -4.544 70 HA3 GLY 11 3HA GLY 11 10.515 1.658 -5.637 71 H GLU 12 H GLU 12 7.847 1.846 -3.709 72 HA GLU 12 HA GLU 12 9.084 3.915 -2.079 73 HB3 GLU 12 2HB GLU 12 6.708 4.398 -1.411 74 HG3 GLU 12 2HG GLU 12 6.137 5.553 -3.321 75 H HIS 13 H HIS 13 8.058 4.080 0.228 76 HA HIS 13 HA HIS 13 8.528 1.485 1.518 77 HB3 HIS 13 2HB HIS 13 8.536 4.212 2.820 78 HD1 HIS 13 1HD HIS 13 7.672 3.271 5.054 79 HD2 HIS 13 2HD HIS 13 11.050 1.335 3.605 80 HE1 HIS 13 1HE HIS 13 8.511 1.865 6.962 81 H CYS 14 H CYS 14 7.089 0.612 2.964 82 HA CYS 14 HA CYS 14 4.801 1.998 3.937 83 HB3 CYS 14 2HB CYS 14 3.867 1.773 1.773 84 H TYR 15 H TYR 15 3.716 0.847 5.527 85 HA TYR 15 HA TYR 15 5.137 -1.490 6.507 86 HB3 TYR 15 2HB TYR 15 3.636 -1.197 8.507 87 HD1 TYR 15 1HD TYR 15 3.894 2.302 8.045 88 HD2 TYR 15 2HD TYR 15 6.219 -1.171 8.837 89 HE1 TYR 15 1HE TYR 15 5.679 3.717 8.973 90 HE2 TYR 15 2HE TYR 15 8.009 0.233 9.770 91 HH TYR 15 HH TYR 15 8.064 2.650 10.882 92 H VAL 16 H VAL 16 2.012 -0.636 5.178 93 HA VAL 16 HA VAL 16 1.355 -3.498 5.036 94 HB VAL 16 HB VAL 16 -1.055 -2.896 5.411 95 HG11 VAL 16 1HG1 VAL 16 0.814 -2.345 7.715 96 HG12 VAL 16 2HG1 VAL 16 -0.874 -2.850 7.836 97 HG13 VAL 16 3HG1 VAL 16 0.328 -3.942 7.147 98 HG21 VAL 16 1HG2 VAL 16 -0.536 -0.529 6.963 99 HG22 VAL 16 2HG2 VAL 16 -0.060 -0.283 5.282 100 HG23 VAL 16 3HG2 VAL 16 -1.706 -0.785 5.668 101 H ALA 17 H ALA 17 -0.682 -3.738 3.541 102 HA ALA 17 HA ALA 17 0.086 -2.796 0.976 103 HB1 ALA 17 1HB ALA 17 -0.926 -4.884 0.945 104 HB2 ALA 17 2HB ALA 17 -2.239 -4.374 2.008 105 HB3 ALA 17 3HB ALA 17 -2.195 -3.821 0.334 106 H ASP 18 H ASP 18 -2.552 -1.953 3.185 107 HA ASP 18 HA ASP 18 -3.982 -0.227 1.548 108 HB3 ASP 18 2HB ASP 18 -4.005 0.889 4.150 109 H GLU 19 H GLU 19 -1.014 0.307 3.336 110 HA GLU 19 HA GLU 19 -0.924 3.110 3.181 111 HB3 GLU 19 2HB GLU 19 1.686 2.521 3.174 112 HG3 GLU 19 2HG GLU 19 0.961 1.642 5.719 113 H CYS 20 H CYS 20 -0.114 0.613 0.874 114 HA CYS 20 HA CYS 20 1.082 2.529 -0.965 115 HB3 CYS 20 2HB CYS 20 0.718 -0.005 -2.201 116 H CYS 21 H CYS 21 0.011 3.509 -2.549 117 HA CYS 21 HA CYS 21 -2.770 3.359 -2.822 118 HB3 CYS 21 2HB CYS 21 -1.687 4.316 -5.265 119 H SER 22 H SER 22 -0.208 1.577 -4.366 120 HA SER 22 HA SER 22 -1.929 0.485 -6.418 121 HB3 SER 22 2HB SER 22 0.882 -0.332 -5.642 122 HG SER 22 HG SER 22 -0.271 -0.602 -8.189 123 H LYS 23 H LYS 23 -1.159 -0.220 -3.185 124 HA LYS 23 HA LYS 23 -1.779 -1.893 -1.774 125 HB3 LYS 23 2HB LYS 23 -3.674 -3.270 -2.344 126 HG3 LYS 23 2HG LYS 23 -4.913 -1.270 -3.835 127 HD3 LYS 23 2HD LYS 23 -4.646 -1.383 -0.834 128 HE3 LYS 23 2HE LYS 23 -7.160 -0.769 -2.303 129 HZ1 LYS 23 1HZ LYS 23 -6.428 0.876 -0.092 130 HZ2 LYS 23 2HZ LYS 23 -6.380 -0.763 0.321 131 HZ3 LYS 23 3HZ LYS 23 -7.801 -0.090 -0.303 132 H ARG 24 H ARG 24 0.621 -2.234 -3.016 133 HA ARG 24 HA ARG 24 0.711 -5.150 -3.392 134 HB3 ARG 24 2HB ARG 24 2.883 -4.260 -4.812 135 HG3 ARG 24 2HG ARG 24 1.634 -4.768 -6.846 136 HD3 ARG 24 2HD ARG 24 0.618 -6.756 -4.876 137 HE ARG 24 HE ARG 24 1.355 -6.844 -7.593 138 HH11 ARG 24 1HH1 ARG 24 1.599 -8.701 -4.659 139 HH12 ARG 24 2HH1 ARG 24 1.669 -10.227 -5.476 140 HH21 ARG 24 1HH2 ARG 24 1.446 -8.847 -8.681 141 HH22 ARG 24 2HH2 ARG 24 1.582 -10.309 -7.764 142 H CYS 25 H CYS 25 1.108 -3.580 -0.995 143 HA CYS 25 HA CYS 25 3.976 -3.577 -0.537 144 HB3 CYS 25 2HB CYS 25 1.928 -3.108 1.605 145 H LEU 26 H LEU 26 5.014 -4.824 1.071 146 HA LEU 26 HA LEU 26 3.521 -7.169 2.026 147 HB3 LEU 26 2HB LEU 26 6.333 -7.297 0.960 148 HG LEU 26 HG LEU 26 5.426 -9.156 2.525 149 HD11 LEU 26 1HD1 LEU 26 3.260 -9.213 1.120 150 HD12 LEU 26 2HD1 LEU 26 3.974 -10.735 1.650 151 HD13 LEU 26 3HD1 LEU 26 4.208 -10.182 -0.008 152 HD21 LEU 26 1HD2 LEU 26 6.375 -10.272 -0.059 153 HD22 LEU 26 2HD2 LEU 26 6.930 -10.588 1.584 154 HD23 LEU 26 3HD2 LEU 26 7.400 -9.098 0.766 155 H PHE 27 H PHE 27 4.307 -8.116 3.951 156 HA PHE 27 HA PHE 27 5.340 -6.266 5.829 157 HB3 PHE 27 2HB PHE 27 5.546 -8.446 7.251 158 HD1 PHE 27 1HD PHE 27 4.192 -7.926 9.015 159 HD2 PHE 27 2HD PHE 27 2.638 -7.588 5.068 160 HE1 PHE 27 1HE PHE 27 2.039 -7.169 9.932 161 HE2 PHE 27 2HE PHE 27 0.481 -6.829 5.978 162 HZ PHE 27 HZ PHE 27 0.180 -6.618 8.414 163 H TYR 28 H TYR 28 6.797 -8.722 3.832 164 HA TYR 28 HA TYR 28 9.326 -8.620 5.249 165 HB3 TYR 28 2HB TYR 28 10.081 -10.192 3.458 166 HD1 TYR 28 1HD TYR 28 6.591 -11.205 3.673 167 HD2 TYR 28 2HD TYR 28 10.370 -11.328 5.624 168 HE1 TYR 28 1HE TYR 28 5.780 -13.024 5.116 169 HE2 TYR 28 2HE TYR 28 9.571 -13.149 7.071 170 HH TYR 28 HH TYR 28 6.267 -14.424 6.764 171 H ALA 29 H ALA 29 8.130 -7.781 2.002 172 HA ALA 29 HA ALA 29 10.551 -6.577 1.148 173 HB1 ALA 29 1HB ALA 29 8.183 -7.309 -0.058 174 HB2 ALA 29 2HB ALA 29 8.169 -5.548 -0.161 175 HB3 ALA 29 3HB ALA 29 9.523 -6.459 -0.827 176 H ALA 30 H ALA 30 7.584 -5.304 2.590 177 HA ALA 30 HA ALA 30 7.102 -3.316 3.589 178 HB1 ALA 30 1HB ALA 30 9.728 -2.182 3.842 179 HB2 ALA 30 2HB ALA 30 8.644 -2.787 5.095 180 HB3 ALA 30 3HB ALA 30 9.754 -3.890 4.281 181 H LYS 31 H LYS 31 8.038 -3.600 0.587 182 HA LYS 31 HA LYS 31 7.682 -0.752 0.018 183 HB3 LYS 31 2HB LYS 31 9.995 -2.451 -0.846 184 HG3 LYS 31 2HG LYS 31 10.401 -0.315 -2.381 185 HD3 LYS 31 2HD LYS 31 9.335 -1.707 -4.271 186 HE3 LYS 31 2HE LYS 31 11.729 -1.922 -2.895 187 HZ1 LYS 31 1HZ LYS 31 12.074 -4.011 -2.241 188 HZ2 LYS 31 2HZ LYS 31 11.262 -4.677 -3.568 189 HZ3 LYS 31 3HZ LYS 31 10.390 -4.170 -2.210 190 H CYS 32 H CYS 32 6.491 -0.329 -1.790 191 HA CYS 32 HA CYS 32 4.720 -2.204 -2.770 192 HB3 CYS 32 2HB CYS 32 5.145 -0.309 -4.840 193 H VAL 33 H VAL 33 5.129 -4.013 -3.844 194 HA VAL 33 HA VAL 33 7.250 -3.985 -5.893 195 HB VAL 33 HB VAL 33 7.198 -6.542 -5.516 196 HG11 VAL 33 1HG1 VAL 33 8.656 -4.421 -4.310 197 HG12 VAL 33 2HG1 VAL 33 8.446 -5.702 -3.114 198 HG13 VAL 33 3HG1 VAL 33 9.192 -6.062 -4.672 199 HG21 VAL 33 1HG2 VAL 33 5.152 -5.936 -3.824 200 HG22 VAL 33 2HG2 VAL 33 6.106 -7.419 -3.759 201 HG23 VAL 33 3HG2 VAL 33 6.511 -6.062 -2.707 202 H SER 34 H SER 34 6.727 -4.540 -7.923 203 HA SER 34 HA SER 34 4.109 -4.575 -8.824 204 HB3 SER 34 2HB SER 34 6.672 -5.574 -10.056 205 HG SER 34 HG SER 34 5.315 -5.540 -12.038 Start of MODEL 4 1 H1 SER 1 H SER 1 -9.295 17.229 -12.182 2 HA SER 1 HA SER 1 -7.391 15.514 -11.258 3 HB3 SER 1 2HB SER 1 -9.366 17.000 -9.508 4 HG SER 1 HG SER 1 -7.961 15.549 -8.398 5 H GLN 2 H GLN 2 -7.443 13.406 -10.887 6 HA GLN 2 HA GLN 2 -9.727 12.281 -9.430 7 HB3 GLN 2 2HB GLN 2 -8.438 10.925 -11.801 8 HG3 GLN 2 2HG GLN 2 -10.453 10.112 -9.843 9 HE21 GLN 2 1HE2 GLN 2 -10.076 9.697 -13.352 10 HE22 GLN 2 2HE2 GLN 2 -11.754 9.436 -13.671 11 H GLU 3 H GLU 3 -6.639 11.179 -10.841 12 HA GLU 3 HA GLU 3 -5.947 10.080 -8.195 13 HB3 GLU 3 2HB GLU 3 -6.329 8.267 -9.733 14 HG3 GLU 3 2HG GLU 3 -4.616 9.851 -11.582 15 H GLN 4 H GLN 4 -5.315 12.671 -8.635 16 HA GLN 4 HA GLN 4 -2.738 13.026 -9.808 17 HB3 GLN 4 2HB GLN 4 -3.803 14.917 -7.756 18 HG3 GLN 4 2HG GLN 4 -2.152 15.066 -10.188 19 HE21 GLN 4 1HE2 GLN 4 -2.482 16.358 -11.840 20 HE22 GLN 4 2HE2 GLN 4 -3.560 17.707 -11.883 21 H ARG 5 H ARG 5 -0.819 12.566 -8.972 22 HA ARG 5 HA ARG 5 0.837 12.053 -7.499 23 HB3 ARG 5 2HB ARG 5 -0.786 13.278 -5.288 24 HG3 ARG 5 2HG ARG 5 1.878 14.233 -5.436 25 HD3 ARG 5 2HD ARG 5 0.437 12.384 -3.543 26 HE ARG 5 HE ARG 5 2.507 12.113 -2.623 27 HH11 ARG 5 1HH1 ARG 5 2.235 15.371 -3.817 28 HH12 ARG 5 2HH1 ARG 5 3.757 15.877 -3.164 29 HH21 ARG 5 1HH2 ARG 5 4.513 12.766 -1.758 30 HH22 ARG 5 2HH2 ARG 5 5.053 14.395 -1.994 31 H GLN 6 H GLN 6 0.898 9.897 -7.281 32 HA GLN 6 HA GLN 6 -1.161 8.378 -6.030 33 HB3 GLN 6 2HB GLN 6 0.673 6.546 -6.144 34 HG3 GLN 6 2HG GLN 6 -1.184 6.912 -7.827 35 HE21 GLN 6 1HE2 GLN 6 -1.811 8.725 -8.824 36 HE22 GLN 6 2HE2 GLN 6 -0.937 9.510 -10.092 37 H CYS 7 H CYS 7 -0.352 6.662 -4.315 38 HA CYS 7 HA CYS 7 0.513 8.239 -2.021 39 HB3 CYS 7 2HB CYS 7 -0.438 6.573 -0.661 40 H LYS 8 H LYS 8 1.316 5.099 -3.504 41 HA LYS 8 HA LYS 8 4.122 5.516 -3.060 42 HB3 LYS 8 2HB LYS 8 4.140 3.188 -1.778 43 HG3 LYS 8 2HG LYS 8 4.555 5.796 -0.989 44 HD3 LYS 8 2HD LYS 8 2.126 4.997 0.180 45 HE3 LYS 8 2HE LYS 8 4.412 5.002 2.149 46 HZ1 LYS 8 1HZ LYS 8 1.489 4.897 2.666 47 HZ2 LYS 8 2HZ LYS 8 2.482 6.232 2.969 48 HZ3 LYS 8 3HZ LYS 8 2.713 4.796 3.831 49 H LYS 9 H LYS 9 4.668 5.019 -5.100 50 HA LYS 9 HA LYS 9 3.459 2.801 -6.498 51 HB3 LYS 9 2HB LYS 9 4.857 3.476 -8.374 52 HG3 LYS 9 2HG LYS 9 4.314 6.196 -7.605 53 HD3 LYS 9 2HD LYS 9 2.465 5.745 -9.380 54 HE3 LYS 9 2HE LYS 9 5.427 5.730 -9.779 55 HZ1 LYS 9 1HZ LYS 9 3.411 5.108 -11.784 56 HZ2 LYS 9 2HZ LYS 9 5.054 4.713 -11.742 57 HZ3 LYS 9 3HZ LYS 9 4.570 6.260 -12.225 58 H ILE 10 H ILE 10 5.400 1.631 -7.926 59 HA ILE 10 HA ILE 10 6.485 -0.264 -6.165 60 HB ILE 10 HB ILE 10 7.397 0.330 -8.982 61 HG13 ILE 10 2HG1 ILE 10 5.811 -1.472 -9.623 62 HG21 ILE 10 1HG2 ILE 10 8.044 -1.756 -7.014 63 HG22 ILE 10 2HG2 ILE 10 7.681 -2.337 -8.638 64 HG23 ILE 10 3HG2 ILE 10 8.973 -1.163 -8.391 65 HD11 ILE 10 1HD1 ILE 10 5.666 -2.100 -6.974 66 HD12 ILE 10 2HD1 ILE 10 4.168 -1.205 -7.233 67 HD13 ILE 10 3HD1 ILE 10 4.529 -2.624 -8.216 68 H GLY 11 H GLY 11 8.178 -0.136 -4.855 69 HA2 GLY 11 2HA GLY 11 10.546 0.173 -4.556 70 HA3 GLY 11 3HA GLY 11 10.466 1.532 -5.667 71 H GLU 12 H GLU 12 7.814 1.736 -3.717 72 HA GLU 12 HA GLU 12 9.058 3.835 -2.130 73 HB3 GLU 12 2HB GLU 12 6.687 4.318 -1.447 74 HG3 GLU 12 2HG GLU 12 6.091 5.441 -3.369 75 H HIS 13 H HIS 13 8.048 4.028 0.184 76 HA HIS 13 HA HIS 13 8.542 1.454 1.507 77 HB3 HIS 13 2HB HIS 13 8.550 4.199 2.769 78 HD1 HIS 13 1HD HIS 13 7.710 3.286 5.024 79 HD2 HIS 13 2HD HIS 13 11.085 1.346 3.573 80 HE1 HIS 13 1HE HIS 13 8.573 1.911 6.945 81 H CYS 14 H CYS 14 7.120 0.596 2.979 82 HA CYS 14 HA CYS 14 4.836 1.986 3.953 83 HB3 CYS 14 2HB CYS 14 3.882 1.727 1.801 84 H TYR 15 H TYR 15 3.770 0.851 5.569 85 HA TYR 15 HA TYR 15 5.210 -1.464 6.568 86 HB3 TYR 15 2HB TYR 15 3.750 -1.151 8.583 87 HD1 TYR 15 1HD TYR 15 6.208 -1.054 9.131 88 HD2 TYR 15 2HD TYR 15 4.036 2.348 7.784 89 HE1 TYR 15 1HE TYR 15 7.978 0.414 10.003 90 HE2 TYR 15 2HE TYR 15 5.802 3.825 8.651 91 HH TYR 15 HH TYR 15 8.009 2.972 10.824 92 H VAL 16 H VAL 16 2.068 -0.642 5.257 93 HA VAL 16 HA VAL 16 1.423 -3.508 5.161 94 HB VAL 16 HB VAL 16 -0.994 -2.886 5.533 95 HG11 VAL 16 1HG1 VAL 16 0.094 -2.141 8.092 96 HG12 VAL 16 2HG1 VAL 16 -0.672 -3.651 7.595 97 HG13 VAL 16 3HG1 VAL 16 1.059 -3.419 7.353 98 HG21 VAL 16 1HG2 VAL 16 -1.654 -0.805 6.145 99 HG22 VAL 16 2HG2 VAL 16 -0.141 -0.448 6.977 100 HG23 VAL 16 3HG2 VAL 16 -0.227 -0.343 5.218 101 H ALA 17 H ALA 17 -0.627 -3.778 3.687 102 HA ALA 17 HA ALA 17 0.115 -2.869 1.103 103 HB1 ALA 17 1HB ALA 17 -0.888 -4.961 1.106 104 HB2 ALA 17 2HB ALA 17 -2.190 -4.445 2.178 105 HB3 ALA 17 3HB ALA 17 -2.170 -3.912 0.498 106 H ASP 18 H ASP 18 -2.506 -2.005 3.323 107 HA ASP 18 HA ASP 18 -3.959 -0.310 1.675 108 HB3 ASP 18 2HB ASP 18 -4.222 0.919 4.085 109 H GLU 19 H GLU 19 -0.977 0.263 3.427 110 HA GLU 19 HA GLU 19 -0.901 3.063 3.232 111 HB3 GLU 19 2HB GLU 19 1.666 2.621 3.316 112 HG3 GLU 19 2HG GLU 19 1.308 1.543 5.716 113 H CYS 20 H CYS 20 -0.101 0.537 0.953 114 HA CYS 20 HA CYS 20 1.070 2.431 -0.923 115 HB3 CYS 20 2HB CYS 20 0.706 -0.122 -2.120 116 H CYS 21 H CYS 21 -0.019 3.384 -2.512 117 HA CYS 21 HA CYS 21 -2.801 3.218 -2.758 118 HB3 CYS 21 2HB CYS 21 -1.745 4.145 -5.224 119 H SER 22 H SER 22 -0.247 1.424 -4.297 120 HA SER 22 HA SER 22 -1.979 0.296 -6.320 121 HB3 SER 22 2HB SER 22 0.683 -0.903 -5.716 122 HG SER 22 HG SER 22 0.638 -0.431 -8.154 123 H LYS 23 H LYS 23 -1.180 -0.360 -3.083 124 HA LYS 23 HA LYS 23 -1.780 -2.015 -1.643 125 HB3 LYS 23 2HB LYS 23 -3.674 -3.408 -2.177 126 HG3 LYS 23 2HG LYS 23 -4.935 -1.434 -3.684 127 HD3 LYS 23 2HD LYS 23 -4.640 -1.502 -0.684 128 HE3 LYS 23 2HE LYS 23 -6.389 -0.127 -2.577 129 HZ1 LYS 23 1HZ LYS 23 -8.024 -1.694 -1.983 130 HZ2 LYS 23 2HZ LYS 23 -8.319 -0.343 -1.010 131 HZ3 LYS 23 3HZ LYS 23 -7.556 -1.704 -0.356 132 H ARG 24 H ARG 24 0.612 -2.363 -2.903 133 HA ARG 24 HA ARG 24 0.710 -5.285 -3.236 134 HB3 ARG 24 2HB ARG 24 2.865 -4.404 -4.689 135 HG3 ARG 24 2HG ARG 24 1.601 -4.950 -6.705 136 HD3 ARG 24 2HD ARG 24 0.541 -6.956 -4.821 137 HE ARG 24 HE ARG 24 2.515 -7.738 -6.733 138 HH11 ARG 24 1HH1 ARG 24 -0.822 -6.826 -6.338 139 HH12 ARG 24 2HH1 ARG 24 -1.358 -7.678 -7.748 140 HH21 ARG 24 1HH2 ARG 24 1.822 -8.863 -8.592 141 HH22 ARG 24 2HH2 ARG 24 0.147 -8.837 -9.029 142 H CYS 25 H CYS 25 1.121 -3.677 -0.866 143 HA CYS 25 HA CYS 25 3.995 -3.657 -0.435 144 HB3 CYS 25 2HB CYS 25 1.965 -3.166 1.719 145 H LEU 26 H LEU 26 5.052 -4.875 1.182 146 HA LEU 26 HA LEU 26 3.578 -7.212 2.183 147 HB3 LEU 26 2HB LEU 26 6.382 -7.342 1.095 148 HG LEU 26 HG LEU 26 5.497 -9.183 2.694 149 HD11 LEU 26 1HD1 LEU 26 4.260 -10.250 0.188 150 HD12 LEU 26 2HD1 LEU 26 3.318 -9.270 1.312 151 HD13 LEU 26 3HD1 LEU 26 4.044 -10.782 1.856 152 HD21 LEU 26 1HD2 LEU 26 6.428 -10.333 0.118 153 HD22 LEU 26 2HD2 LEU 26 7.000 -10.623 1.761 154 HD23 LEU 26 3HD2 LEU 26 7.455 -9.141 0.916 155 H PHE 27 H PHE 27 4.386 -8.127 4.115 156 HA PHE 27 HA PHE 27 5.426 -6.248 5.956 157 HB3 PHE 27 2HB PHE 27 5.655 -8.406 7.407 158 HD1 PHE 27 1HD PHE 27 2.721 -7.597 5.241 159 HD2 PHE 27 2HD PHE 27 4.320 -7.856 9.178 160 HE1 PHE 27 1HE PHE 27 0.571 -6.834 6.162 161 HE2 PHE 27 2HE PHE 27 2.172 -7.094 10.104 162 HZ PHE 27 HZ PHE 27 0.293 -6.582 8.596 163 H TYR 28 H TYR 28 6.877 -8.725 3.984 164 HA TYR 28 HA TYR 28 9.417 -8.591 5.376 165 HB3 TYR 28 2HB TYR 28 10.163 -10.186 3.601 166 HD1 TYR 28 1HD TYR 28 6.681 -11.211 3.861 167 HD2 TYR 28 2HD TYR 28 10.477 -11.288 5.783 168 HE1 TYR 28 1HE TYR 28 5.891 -13.012 5.337 169 HE2 TYR 28 2HE TYR 28 9.697 -13.091 7.263 170 HH TYR 28 HH TYR 28 7.859 -14.200 8.003 171 H ALA 29 H ALA 29 8.189 -7.805 2.128 172 HA ALA 29 HA ALA 29 10.597 -6.603 1.234 173 HB1 ALA 29 1HB ALA 29 8.462 -7.478 -0.062 174 HB2 ALA 29 2HB ALA 29 7.999 -5.779 0.056 175 HB3 ALA 29 3HB ALA 29 9.511 -6.228 -0.734 176 H ALA 30 H ALA 30 7.638 -5.322 2.685 177 HA ALA 30 HA ALA 30 7.156 -3.323 3.659 178 HB1 ALA 30 1HB ALA 30 9.820 -3.875 4.332 179 HB2 ALA 30 2HB ALA 30 9.777 -2.171 3.875 180 HB3 ALA 30 3HB ALA 30 8.710 -2.770 5.144 181 H LYS 31 H LYS 31 8.067 -3.644 0.654 182 HA LYS 31 HA LYS 31 7.693 -0.808 0.046 183 HB3 LYS 31 2HB LYS 31 10.006 -2.510 -0.814 184 HG3 LYS 31 2HG LYS 31 10.390 -0.395 -2.383 185 HD3 LYS 31 2HD LYS 31 9.311 -1.819 -4.244 186 HE3 LYS 31 2HE LYS 31 11.256 -3.354 -2.556 187 HZ1 LYS 31 1HZ LYS 31 10.826 -4.374 -4.608 188 HZ2 LYS 31 2HZ LYS 31 12.297 -3.568 -4.826 189 HZ3 LYS 31 3HZ LYS 31 10.872 -2.911 -5.458 190 H CYS 32 H CYS 32 6.485 -0.416 -1.756 191 HA CYS 32 HA CYS 32 4.712 -2.312 -2.693 192 HB3 CYS 32 2HB CYS 32 5.112 -0.444 -4.794 193 H VAL 33 H VAL 33 5.119 -4.134 -3.746 194 HA VAL 33 HA VAL 33 7.222 -4.126 -5.813 195 HB VAL 33 HB VAL 33 7.183 -6.680 -5.399 196 HG11 VAL 33 1HG1 VAL 33 8.644 -4.535 -4.236 197 HG12 VAL 33 2HG1 VAL 33 8.450 -5.800 -3.022 198 HG13 VAL 33 3HG1 VAL 33 9.184 -6.179 -4.581 199 HG21 VAL 33 1HG2 VAL 33 6.112 -7.533 -3.619 200 HG22 VAL 33 2HG2 VAL 33 6.520 -6.160 -2.590 201 HG23 VAL 33 3HG2 VAL 33 5.150 -6.056 -3.696 202 H SER 34 H SER 34 6.683 -4.714 -7.830 203 HA SER 34 HA SER 34 4.057 -4.771 -8.707 204 HB3 SER 34 2HB SER 34 6.681 -5.517 -9.892 205 HG SER 34 HG SER 34 4.212 -6.158 -11.137 Start of MODEL 5 1 H1 SER 1 H SER 1 0.430 12.633 -18.086 2 HA SER 1 HA SER 1 -0.492 13.241 -16.091 3 HB3 SER 1 2HB SER 1 -0.415 11.452 -14.737 4 HG SER 1 HG SER 1 1.806 10.238 -14.807 5 H GLN 2 H GLN 2 0.296 14.196 -13.820 6 HA GLN 2 HA GLN 2 2.832 15.517 -13.855 7 HB3 GLN 2 2HB GLN 2 1.420 17.814 -13.729 8 HG3 GLN 2 2HG GLN 2 1.881 17.175 -16.517 9 HE21 GLN 2 1HE2 GLN 2 0.899 19.403 -15.457 10 HE22 GLN 2 2HE2 GLN 2 2.074 20.669 -15.446 11 H GLU 3 H GLU 3 -0.437 16.262 -12.629 12 HA GLU 3 HA GLU 3 0.635 16.713 -9.978 13 HB3 GLU 3 2HB GLU 3 -1.118 18.188 -10.852 14 HG3 GLU 3 2HG GLU 3 -2.635 15.647 -11.116 15 H GLN 4 H GLN 4 -0.324 15.681 -8.072 16 HA GLN 4 HA GLN 4 -0.824 13.850 -6.818 17 HB3 GLN 4 2HB GLN 4 -2.226 12.129 -8.524 18 HG3 GLN 4 2HG GLN 4 -2.794 13.015 -6.182 19 HE21 GLN 4 1HE2 GLN 4 -5.248 14.366 -8.246 20 HE22 GLN 4 2HE2 GLN 4 -5.208 15.963 -7.588 21 H ARG 5 H ARG 5 1.123 12.902 -6.488 22 HA ARG 5 HA ARG 5 2.212 11.135 -8.549 23 HB3 ARG 5 2HB ARG 5 3.592 11.622 -5.946 24 HG3 ARG 5 2HG ARG 5 4.551 11.424 -8.793 25 HD3 ARG 5 2HD ARG 5 5.821 12.431 -6.363 26 HE ARG 5 HE ARG 5 6.868 10.004 -7.391 27 HH11 ARG 5 1HH1 ARG 5 7.812 13.162 -6.269 28 HH12 ARG 5 2HH1 ARG 5 9.387 12.653 -5.758 29 HH21 ARG 5 1HH2 ARG 5 8.940 9.322 -6.724 30 HH22 ARG 5 2HH2 ARG 5 10.028 10.468 -6.019 31 H GLN 6 H GLN 6 -0.141 10.266 -7.271 32 HA GLN 6 HA GLN 6 -1.054 8.484 -6.185 33 HB3 GLN 6 2HB GLN 6 1.346 6.813 -6.248 34 HG3 GLN 6 2HG GLN 6 -1.005 6.407 -8.020 35 HE21 GLN 6 1HE2 GLN 6 -1.134 4.347 -8.691 36 HE22 GLN 6 2HE2 GLN 6 -0.056 3.087 -8.207 37 H CYS 7 H CYS 7 -0.250 6.602 -4.465 38 HA CYS 7 HA CYS 7 0.537 8.180 -2.144 39 HB3 CYS 7 2HB CYS 7 -0.424 6.492 -0.814 40 H LYS 8 H LYS 8 1.418 5.059 -3.621 41 HA LYS 8 HA LYS 8 4.206 5.510 -3.106 42 HB3 LYS 8 2HB LYS 8 4.223 3.176 -1.835 43 HG3 LYS 8 2HG LYS 8 4.584 5.784 -1.022 44 HD3 LYS 8 2HD LYS 8 2.138 4.950 0.081 45 HE3 LYS 8 2HE LYS 8 4.370 4.971 2.109 46 HZ1 LYS 8 1HZ LYS 8 2.157 6.132 2.663 47 HZ2 LYS 8 2HZ LYS 8 2.790 5.019 3.767 48 HZ3 LYS 8 3HZ LYS 8 1.523 4.566 2.744 49 H LYS 9 H LYS 9 4.808 5.030 -5.134 50 HA LYS 9 HA LYS 9 3.664 2.803 -6.572 51 HB3 LYS 9 2HB LYS 9 5.103 3.505 -8.409 52 HG3 LYS 9 2HG LYS 9 4.494 6.213 -7.649 53 HD3 LYS 9 2HD LYS 9 2.840 4.544 -9.492 54 HE3 LYS 9 2HE LYS 9 3.923 7.351 -9.485 55 HZ1 LYS 9 1HZ LYS 9 4.029 6.427 -11.739 56 HZ2 LYS 9 2HZ LYS 9 2.869 7.652 -11.611 57 HZ3 LYS 9 3HZ LYS 9 2.386 6.030 -11.655 58 H ILE 10 H ILE 10 5.653 1.665 -7.957 59 HA ILE 10 HA ILE 10 6.720 -0.224 -6.179 60 HB ILE 10 HB ILE 10 7.694 0.395 -8.970 61 HG13 ILE 10 2HG1 ILE 10 6.145 -1.423 -9.658 62 HG21 ILE 10 1HG2 ILE 10 8.316 -1.693 -6.996 63 HG22 ILE 10 2HG2 ILE 10 8.001 -2.270 -8.633 64 HG23 ILE 10 3HG2 ILE 10 9.273 -1.082 -8.345 65 HD11 ILE 10 1HD1 ILE 10 5.942 -2.065 -7.016 66 HD12 ILE 10 2HD1 ILE 10 4.440 -1.188 -7.309 67 HD13 ILE 10 3HD1 ILE 10 4.843 -2.598 -8.288 68 H GLY 11 H GLY 11 8.377 -0.075 -4.825 69 HA2 GLY 11 2HA GLY 11 10.735 0.262 -4.468 70 HA3 GLY 11 3HA GLY 11 10.662 1.625 -5.576 71 H GLU 12 H GLU 12 7.962 1.780 -3.686 72 HA GLU 12 HA GLU 12 9.139 3.888 -2.061 73 HB3 GLU 12 2HB GLU 12 6.745 4.338 -1.434 74 HG3 GLU 12 2HG GLU 12 6.184 5.463 -3.365 75 H HIS 13 H HIS 13 8.069 4.057 0.229 76 HA HIS 13 HA HIS 13 8.565 1.483 1.552 77 HB3 HIS 13 2HB HIS 13 8.506 4.221 2.827 78 HD1 HIS 13 1HD HIS 13 7.625 3.288 5.058 79 HD2 HIS 13 2HD HIS 13 11.054 1.393 3.677 80 HE1 HIS 13 1HE HIS 13 8.458 1.912 6.991 81 H CYS 14 H CYS 14 7.117 0.597 2.981 82 HA CYS 14 HA CYS 14 4.791 1.953 3.904 83 HB3 CYS 14 2HB CYS 14 3.894 1.691 1.729 84 H TYR 15 H TYR 15 3.702 0.799 5.489 85 HA TYR 15 HA TYR 15 5.147 -1.501 6.517 86 HB3 TYR 15 2HB TYR 15 3.652 -1.215 8.499 87 HD1 TYR 15 1HD TYR 15 3.917 2.281 7.572 88 HD2 TYR 15 2HD TYR 15 6.020 -1.031 9.218 89 HE1 TYR 15 1HE TYR 15 5.619 3.815 8.467 90 HE2 TYR 15 2HE TYR 15 7.727 0.493 10.119 91 HH TYR 15 HH TYR 15 7.487 3.363 10.742 92 H VAL 16 H VAL 16 2.031 -0.718 5.125 93 HA VAL 16 HA VAL 16 1.429 -3.592 5.001 94 HB VAL 16 HB VAL 16 -0.992 -3.049 5.344 95 HG11 VAL 16 1HG1 VAL 16 0.528 -3.955 7.121 96 HG12 VAL 16 2HG1 VAL 16 0.717 -2.302 7.709 97 HG13 VAL 16 3HG1 VAL 16 -0.872 -3.068 7.723 98 HG21 VAL 16 1HG2 VAL 16 -0.235 -0.459 5.014 99 HG22 VAL 16 2HG2 VAL 16 -1.751 -0.973 5.753 100 HG23 VAL 16 3HG2 VAL 16 -0.370 -0.561 6.769 101 H ALA 17 H ALA 17 -0.583 -3.882 3.477 102 HA ALA 17 HA ALA 17 0.210 -2.951 0.916 103 HB1 ALA 17 1HB ALA 17 -2.092 -4.568 1.933 104 HB2 ALA 17 2HB ALA 17 -2.053 -4.017 0.257 105 HB3 ALA 17 3HB ALA 17 -0.766 -5.052 0.875 106 H ASP 18 H ASP 18 -2.477 -2.133 3.074 107 HA ASP 18 HA ASP 18 -3.910 -0.448 1.400 108 HB3 ASP 18 2HB ASP 18 -4.077 0.726 3.932 109 H GLU 19 H GLU 19 -0.982 0.154 3.229 110 HA GLU 19 HA GLU 19 -0.937 2.956 3.051 111 HB3 GLU 19 2HB GLU 19 1.629 2.556 3.202 112 HG3 GLU 19 2HG GLU 19 1.064 1.309 5.568 113 H CYS 20 H CYS 20 -0.048 0.454 0.779 114 HA CYS 20 HA CYS 20 1.143 2.374 -1.058 115 HB3 CYS 20 2HB CYS 20 0.842 -0.177 -2.278 116 H CYS 21 H CYS 21 0.080 3.322 -2.669 117 HA CYS 21 HA CYS 21 -2.693 3.122 -2.983 118 HB3 CYS 21 2HB CYS 21 -1.587 4.078 -5.417 119 H SER 22 H SER 22 -0.076 1.370 -4.468 120 HA SER 22 HA SER 22 -1.745 0.231 -6.539 121 HB3 SER 22 2HB SER 22 1.130 -0.120 -5.721 122 HG SER 22 HG SER 22 -0.264 -1.620 -7.690 123 H LYS 23 H LYS 23 -1.016 -0.433 -3.289 124 HA LYS 23 HA LYS 23 -1.629 -2.105 -1.873 125 HB3 LYS 23 2HB LYS 23 -3.491 -3.520 -2.462 126 HG3 LYS 23 2HG LYS 23 -4.740 -1.552 -3.988 127 HD3 LYS 23 2HD LYS 23 -4.519 -1.636 -0.981 128 HE3 LYS 23 2HE LYS 23 -6.857 -0.917 -2.740 129 HZ1 LYS 23 1HZ LYS 23 -7.052 0.289 -0.294 130 HZ2 LYS 23 2HZ LYS 23 -6.498 -1.268 0.067 131 HZ3 LYS 23 3HZ LYS 23 -7.926 -1.062 -0.815 132 H ARG 24 H ARG 24 0.797 -2.416 -3.070 133 HA ARG 24 HA ARG 24 0.941 -5.333 -3.420 134 HB3 ARG 24 2HB ARG 24 3.120 -4.415 -4.815 135 HG3 ARG 24 2HG ARG 24 1.912 -4.966 -6.863 136 HD3 ARG 24 2HD ARG 24 2.421 -6.662 -4.733 137 HE ARG 24 HE ARG 24 0.387 -7.513 -4.160 138 HH11 ARG 24 1HH1 ARG 24 0.392 -6.861 -7.579 139 HH12 ARG 24 2HH1 ARG 24 -1.171 -7.556 -7.848 140 HH21 ARG 24 1HH2 ARG 24 -1.674 -8.432 -4.499 141 HH22 ARG 24 2HH2 ARG 24 -2.346 -8.449 -6.095 142 H CYS 25 H CYS 25 1.276 -3.734 -1.032 143 HA CYS 25 HA CYS 25 4.135 -3.678 -0.530 144 HB3 CYS 25 2HB CYS 25 2.048 -3.225 1.575 145 H LEU 26 H LEU 26 5.168 -4.891 1.107 146 HA LEU 26 HA LEU 26 3.702 -7.254 2.058 147 HB3 LEU 26 2HB LEU 26 6.533 -7.340 1.041 148 HG LEU 26 HG LEU 26 5.634 -9.201 2.608 149 HD11 LEU 26 1HD1 LEU 26 4.225 -10.814 1.725 150 HD12 LEU 26 2HD1 LEU 26 4.474 -10.271 0.066 151 HD13 LEU 26 3HD1 LEU 26 3.491 -9.310 1.171 152 HD21 LEU 26 1HD2 LEU 26 7.180 -10.612 1.707 153 HD22 LEU 26 2HD2 LEU 26 7.634 -9.122 0.878 154 HD23 LEU 26 3HD2 LEU 26 6.643 -10.325 0.051 155 H PHE 27 H PHE 27 4.472 -8.168 4.005 156 HA PHE 27 HA PHE 27 5.439 -6.285 5.883 157 HB3 PHE 27 2HB PHE 27 5.662 -8.446 7.329 158 HD1 PHE 27 1HD PHE 27 2.776 -7.670 5.085 159 HD2 PHE 27 2HD PHE 27 4.266 -7.932 9.064 160 HE1 PHE 27 1HE PHE 27 0.589 -6.946 5.947 161 HE2 PHE 27 2HE PHE 27 2.081 -7.209 9.932 162 HZ PHE 27 HZ PHE 27 0.239 -6.717 8.374 163 H TYR 28 H TYR 28 6.975 -8.732 3.935 164 HA TYR 28 HA TYR 28 9.477 -8.569 5.391 165 HB3 TYR 28 2HB TYR 28 10.290 -10.146 3.630 166 HD1 TYR 28 1HD TYR 28 6.817 -11.220 3.793 167 HD2 TYR 28 2HD TYR 28 10.561 -11.253 5.814 168 HE1 TYR 28 1HE TYR 28 6.013 -13.039 5.241 169 HE2 TYR 28 2HE TYR 28 9.768 -13.073 7.266 170 HH TYR 28 HH TYR 28 8.121 -14.501 7.695 171 H ALA 29 H ALA 29 8.319 -7.785 2.118 172 HA ALA 29 HA ALA 29 10.730 -6.546 1.287 173 HB1 ALA 29 1HB ALA 29 9.732 -6.480 -0.703 174 HB2 ALA 29 2HB ALA 29 8.382 -7.321 0.058 175 HB3 ALA 29 3HB ALA 29 8.363 -5.563 -0.073 176 H ALA 30 H ALA 30 7.721 -5.311 2.672 177 HA ALA 30 HA ALA 30 7.189 -3.323 3.644 178 HB1 ALA 30 1HB ALA 30 8.696 -2.749 5.168 179 HB2 ALA 30 2HB ALA 30 9.835 -3.846 4.389 180 HB3 ALA 30 3HB ALA 30 9.794 -2.145 3.926 181 H LYS 31 H LYS 31 8.177 -3.618 0.661 182 HA LYS 31 HA LYS 31 7.782 -0.783 0.058 183 HB3 LYS 31 2HB LYS 31 10.137 -2.450 -0.753 184 HG3 LYS 31 2HG LYS 31 10.531 -0.321 -2.301 185 HD3 LYS 31 2HD LYS 31 9.521 -1.747 -4.196 186 HE3 LYS 31 2HE LYS 31 11.564 -2.926 -2.314 187 HZ1 LYS 31 1HZ LYS 31 11.178 -4.646 -3.754 188 HZ2 LYS 31 2HZ LYS 31 12.362 -3.797 -4.612 189 HZ3 LYS 31 3HZ LYS 31 10.733 -3.639 -5.040 190 H CYS 32 H CYS 32 6.614 -0.397 -1.773 191 HA CYS 32 HA CYS 32 4.890 -2.312 -2.763 192 HB3 CYS 32 2HB CYS 32 5.316 -0.427 -4.843 193 H VAL 33 H VAL 33 5.344 -4.121 -3.817 194 HA VAL 33 HA VAL 33 7.497 -4.074 -5.831 195 HB VAL 33 HB VAL 33 7.486 -6.629 -5.431 196 HG11 VAL 33 1HG1 VAL 33 8.678 -5.745 -3.017 197 HG12 VAL 33 2HG1 VAL 33 9.458 -6.103 -4.558 198 HG13 VAL 33 3HG1 VAL 33 8.885 -4.470 -4.217 199 HG21 VAL 33 1HG2 VAL 33 6.380 -7.509 -3.688 200 HG22 VAL 33 2HG2 VAL 33 6.747 -6.141 -2.637 201 HG23 VAL 33 3HG2 VAL 33 5.403 -6.043 -3.774 202 H SER 34 H SER 34 7.016 -4.659 -7.863 203 HA SER 34 HA SER 34 4.413 -4.748 -8.804 204 HB3 SER 34 2HB SER 34 7.054 -5.570 -9.951 205 HG SER 34 HG SER 34 5.848 -5.960 -11.943 Start of MODEL 6 1 H1 SER 1 H SER 1 -12.721 15.663 -11.544 2 HA SER 1 HA SER 1 -10.875 14.146 -12.680 3 HB3 SER 1 2HB SER 1 -9.696 14.135 -10.296 4 HG SER 1 HG SER 1 -9.584 16.592 -10.678 5 H GLN 2 H GLN 2 -10.228 12.085 -12.804 6 HA GLN 2 HA GLN 2 -11.761 10.077 -11.382 7 HB3 GLN 2 2HB GLN 2 -10.556 8.476 -12.838 8 HG3 GLN 2 2HG GLN 2 -11.380 10.653 -14.688 9 HE21 GLN 2 1HE2 GLN 2 -12.676 7.525 -13.668 10 HE22 GLN 2 2HE2 GLN 2 -12.488 6.749 -15.200 11 H GLU 3 H GLU 3 -8.269 10.365 -12.053 12 HA GLU 3 HA GLU 3 -7.722 9.750 -9.242 13 HB3 GLU 3 2HB GLU 3 -7.684 7.631 -10.592 14 HG3 GLU 3 2HG GLU 3 -5.026 8.305 -11.664 15 H GLN 4 H GLN 4 -5.718 10.479 -8.480 16 HA GLN 4 HA GLN 4 -3.737 11.639 -10.140 17 HB3 GLN 4 2HB GLN 4 -4.809 13.853 -8.568 18 HG3 GLN 4 2HG GLN 4 -3.081 14.055 -10.345 19 HE21 GLN 4 1HE2 GLN 4 -6.179 14.375 -12.009 20 HE22 GLN 4 2HE2 GLN 4 -5.711 13.505 -13.426 21 H ARG 5 H ARG 5 -1.906 12.309 -8.980 22 HA ARG 5 HA ARG 5 -0.419 12.303 -7.258 23 HB3 ARG 5 2HB ARG 5 -2.707 12.512 -5.321 24 HG3 ARG 5 2HG ARG 5 0.004 13.820 -5.403 25 HD3 ARG 5 2HD ARG 5 -1.450 13.864 -2.896 26 HE ARG 5 HE ARG 5 0.109 15.535 -2.875 27 HH11 ARG 5 1HH1 ARG 5 -1.728 15.735 -5.826 28 HH12 ARG 5 2HH1 ARG 5 -1.021 17.238 -6.318 29 HH21 ARG 5 1HH2 ARG 5 1.047 17.514 -3.512 30 HH22 ARG 5 2HH2 ARG 5 0.558 18.249 -5.001 31 H GLN 6 H GLN 6 0.478 10.333 -7.156 32 HA GLN 6 HA GLN 6 -0.999 8.036 -6.231 33 HB3 GLN 6 2HB GLN 6 1.373 6.979 -6.455 34 HG3 GLN 6 2HG GLN 6 -0.543 6.819 -8.123 35 HE21 GLN 6 1HE2 GLN 6 -1.661 8.642 -8.752 36 HE22 GLN 6 2HE2 GLN 6 -1.138 9.656 -10.049 37 H CYS 7 H CYS 7 -0.323 6.686 -4.455 38 HA CYS 7 HA CYS 7 0.525 8.283 -2.170 39 HB3 CYS 7 2HB CYS 7 -0.440 6.630 -0.801 40 H LYS 8 H LYS 8 1.337 5.129 -3.616 41 HA LYS 8 HA LYS 8 4.139 5.548 -3.153 42 HB3 LYS 8 2HB LYS 8 4.145 3.232 -1.850 43 HG3 LYS 8 2HG LYS 8 4.554 5.846 -1.080 44 HD3 LYS 8 2HD LYS 8 2.114 5.061 0.073 45 HE3 LYS 8 2HE LYS 8 4.381 5.077 2.065 46 HZ1 LYS 8 1HZ LYS 8 2.621 6.267 3.043 47 HZ2 LYS 8 2HZ LYS 8 2.496 4.697 3.659 48 HZ3 LYS 8 3HZ LYS 8 1.446 5.211 2.438 49 H LYS 9 H LYS 9 4.703 5.031 -5.184 50 HA LYS 9 HA LYS 9 3.503 2.802 -6.573 51 HB3 LYS 9 2HB LYS 9 4.923 3.459 -8.441 52 HG3 LYS 9 2HG LYS 9 4.369 6.186 -7.705 53 HD3 LYS 9 2HD LYS 9 2.486 4.806 -9.461 54 HE3 LYS 9 2HE LYS 9 3.555 7.331 -9.198 55 HZ1 LYS 9 1HZ LYS 9 5.087 5.872 -11.148 56 HZ2 LYS 9 2HZ LYS 9 5.401 7.370 -10.427 57 HZ3 LYS 9 3HZ LYS 9 4.377 7.276 -11.770 58 H ILE 10 H ILE 10 5.460 1.623 -7.974 59 HA ILE 10 HA ILE 10 6.525 -0.260 -6.187 60 HB ILE 10 HB ILE 10 7.462 0.309 -9.001 61 HG13 ILE 10 2HG1 ILE 10 5.881 -1.499 -9.640 62 HG21 ILE 10 1HG2 ILE 10 8.092 -1.759 -7.010 63 HG22 ILE 10 2HG2 ILE 10 7.742 -2.355 -8.632 64 HG23 ILE 10 3HG2 ILE 10 9.033 -1.178 -8.384 65 HD11 ILE 10 1HD1 ILE 10 4.583 -2.636 -8.232 66 HD12 ILE 10 2HD1 ILE 10 5.713 -2.104 -6.987 67 HD13 ILE 10 3HD1 ILE 10 4.219 -1.209 -7.263 68 H GLY 11 H GLY 11 8.205 -0.122 -4.862 69 HA2 GLY 11 2HA GLY 11 10.572 0.186 -4.545 70 HA3 GLY 11 3HA GLY 11 10.503 1.536 -5.669 71 H GLU 12 H GLU 12 7.834 1.758 -3.744 72 HA GLU 12 HA GLU 12 9.067 3.869 -2.164 73 HB3 GLU 12 2HB GLU 12 6.690 4.362 -1.506 74 HG3 GLU 12 2HG GLU 12 6.111 5.465 -3.444 75 H HIS 13 H HIS 13 8.031 4.084 0.140 76 HA HIS 13 HA HIS 13 8.514 1.520 1.489 77 HB3 HIS 13 2HB HIS 13 8.514 4.276 2.728 78 HD1 HIS 13 1HD HIS 13 7.652 3.383 4.983 79 HD2 HIS 13 2HD HIS 13 11.037 1.426 3.579 80 HE1 HIS 13 1HE HIS 13 8.497 2.024 6.923 81 H CYS 14 H CYS 14 7.077 0.674 2.954 82 HA CYS 14 HA CYS 14 4.786 2.076 3.897 83 HB3 CYS 14 2HB CYS 14 3.850 1.799 1.739 84 H TYR 15 H TYR 15 3.705 0.958 5.513 85 HA TYR 15 HA TYR 15 5.134 -1.351 6.546 86 HB3 TYR 15 2HB TYR 15 3.584 -1.017 8.525 87 HD1 TYR 15 1HD TYR 15 5.749 -1.003 9.570 88 HD2 TYR 15 2HD TYR 15 4.398 2.378 7.369 89 HE1 TYR 15 1HE TYR 15 7.576 0.340 10.524 90 HE2 TYR 15 2HE TYR 15 6.222 3.730 8.315 91 HH TYR 15 HH TYR 15 7.697 3.378 10.753 92 H VAL 16 H VAL 16 2.007 -0.539 5.195 93 HA VAL 16 HA VAL 16 1.360 -3.405 5.119 94 HB VAL 16 HB VAL 16 -1.068 -2.751 5.447 95 HG11 VAL 16 1HG1 VAL 16 0.588 -2.175 7.883 96 HG12 VAL 16 2HG1 VAL 16 -0.950 -3.032 7.767 97 HG13 VAL 16 3HG1 VAL 16 0.528 -3.783 7.164 98 HG21 VAL 16 1HG2 VAL 16 -1.683 -0.677 6.214 99 HG22 VAL 16 2HG2 VAL 16 -0.087 -0.326 6.875 100 HG23 VAL 16 3HG2 VAL 16 -0.358 -0.241 5.134 101 H ALA 17 H ALA 17 -0.676 -3.687 3.630 102 HA ALA 17 HA ALA 17 0.089 -2.801 1.044 103 HB1 ALA 17 1HB ALA 17 -0.915 -4.887 1.044 104 HB2 ALA 17 2HB ALA 17 -2.217 -4.375 2.118 105 HB3 ALA 17 3HB ALA 17 -2.200 -3.843 0.436 106 H ASP 18 H ASP 18 -2.551 -1.916 3.233 107 HA ASP 18 HA ASP 18 -3.987 -0.234 1.557 108 HB3 ASP 18 2HB ASP 18 -4.179 1.000 4.020 109 H GLU 19 H GLU 19 -1.023 0.351 3.333 110 HA GLU 19 HA GLU 19 -0.943 3.149 3.116 111 HB3 GLU 19 2HB GLU 19 1.658 2.610 3.149 112 HG3 GLU 19 2HG GLU 19 0.188 1.706 5.579 113 H CYS 20 H CYS 20 -0.125 0.606 0.865 114 HA CYS 20 HA CYS 20 1.066 2.483 -1.016 115 HB3 CYS 20 2HB CYS 20 0.710 -0.079 -2.195 116 H CYS 21 H CYS 21 -0.009 3.425 -2.622 117 HA CYS 21 HA CYS 21 -2.788 3.258 -2.892 118 HB3 CYS 21 2HB CYS 21 -1.709 4.168 -5.354 119 H SER 22 H SER 22 -0.220 1.451 -4.392 120 HA SER 22 HA SER 22 -1.935 0.309 -6.424 121 HB3 SER 22 2HB SER 22 0.865 -0.525 -5.635 122 HG SER 22 HG SER 22 -0.427 -0.765 -8.141 123 H LYS 23 H LYS 23 -1.168 -0.322 -3.175 124 HA LYS 23 HA LYS 23 -1.782 -1.967 -1.729 125 HB3 LYS 23 2HB LYS 23 -3.673 -3.361 -2.270 126 HG3 LYS 23 2HG LYS 23 -4.920 -1.401 -3.800 127 HD3 LYS 23 2HD LYS 23 -5.561 -0.566 -1.413 128 HE3 LYS 23 2HE LYS 23 -6.148 -3.453 -2.000 129 HZ1 LYS 23 1HZ LYS 23 -8.211 -3.004 -1.046 130 HZ2 LYS 23 2HZ LYS 23 -8.026 -1.327 -1.164 131 HZ3 LYS 23 3HZ LYS 23 -7.121 -2.201 -0.032 132 H ARG 24 H ARG 24 0.620 -2.328 -2.953 133 HA ARG 24 HA ARG 24 0.718 -5.252 -3.267 134 HB3 ARG 24 2HB ARG 24 2.888 -4.384 -4.708 135 HG3 ARG 24 2HG ARG 24 1.641 -4.946 -6.730 136 HD3 ARG 24 2HD ARG 24 0.632 -6.895 -4.719 137 HE ARG 24 HE ARG 24 2.325 -7.745 -6.880 138 HH11 ARG 24 1HH1 ARG 24 -0.921 -6.909 -5.941 139 HH12 ARG 24 2HH1 ARG 24 -1.663 -7.829 -7.208 140 HH21 ARG 24 1HH2 ARG 24 1.360 -8.960 -8.552 141 HH22 ARG 24 2HH2 ARG 24 -0.365 -8.996 -8.691 142 H CYS 25 H CYS 25 1.112 -3.625 -0.907 143 HA CYS 25 HA CYS 25 3.981 -3.604 -0.452 144 HB3 CYS 25 2HB CYS 25 1.934 -3.092 1.680 145 H LEU 26 H LEU 26 5.023 -4.809 1.185 146 HA LEU 26 HA LEU 26 3.538 -7.136 2.193 147 HB3 LEU 26 2HB LEU 26 6.352 -7.279 1.131 148 HG LEU 26 HG LEU 26 5.451 -9.104 2.738 149 HD11 LEU 26 1HD1 LEU 26 3.285 -9.203 1.337 150 HD12 LEU 26 2HD1 LEU 26 4.006 -10.710 1.899 151 HD13 LEU 26 3HD1 LEU 26 4.236 -10.193 0.230 152 HD21 LEU 26 1HD2 LEU 26 6.403 -10.277 0.180 153 HD22 LEU 26 2HD2 LEU 26 6.962 -10.552 1.830 154 HD23 LEU 26 3HD2 LEU 26 7.424 -9.080 0.976 155 H PHE 27 H PHE 27 4.327 -8.037 4.140 156 HA PHE 27 HA PHE 27 5.353 -6.142 5.974 157 HB3 PHE 27 2HB PHE 27 5.564 -8.282 7.450 158 HD1 PHE 27 1HD PHE 27 2.665 -7.488 5.230 159 HD2 PHE 27 2HD PHE 27 4.193 -7.743 9.195 160 HE1 PHE 27 1HE PHE 27 0.498 -6.723 6.110 161 HE2 PHE 27 2HE PHE 27 2.027 -6.981 10.082 162 HZ PHE 27 HZ PHE 27 0.176 -6.471 8.538 163 H TYR 28 H TYR 28 6.820 -8.636 4.036 164 HA TYR 28 HA TYR 28 9.348 -8.492 5.450 165 HB3 TYR 28 2HB TYR 28 10.109 -10.103 3.696 166 HD1 TYR 28 1HD TYR 28 10.402 -11.188 5.886 167 HD2 TYR 28 2HD TYR 28 6.624 -11.123 3.933 168 HE1 TYR 28 1HE TYR 28 9.609 -12.977 7.376 169 HE2 TYR 28 2HE TYR 28 5.818 -12.910 5.418 170 HH TYR 28 HH TYR 28 7.939 -14.655 7.511 171 H ALA 29 H ALA 29 8.149 -7.733 2.184 172 HA ALA 29 HA ALA 29 10.565 -6.541 1.301 173 HB1 ALA 29 1HB ALA 29 8.164 -5.559 -0.020 174 HB2 ALA 29 2HB ALA 29 9.536 -6.452 -0.677 175 HB3 ALA 29 3HB ALA 29 8.214 -7.318 0.105 176 H ALA 30 H ALA 30 7.594 -5.245 2.714 177 HA ALA 30 HA ALA 30 7.106 -3.236 3.667 178 HB1 ALA 30 1HB ALA 30 9.756 -3.788 4.376 179 HB2 ALA 30 2HB ALA 30 9.731 -2.092 3.893 180 HB3 ALA 30 3HB ALA 30 8.645 -2.663 5.160 181 H LYS 31 H LYS 31 8.043 -3.586 0.672 182 HA LYS 31 HA LYS 31 7.678 -0.753 0.038 183 HB3 LYS 31 2HB LYS 31 9.997 -2.466 -0.787 184 HG3 LYS 31 2HG LYS 31 10.396 -0.364 -2.370 185 HD3 LYS 31 2HD LYS 31 9.331 -1.803 -4.228 186 HE3 LYS 31 2HE LYS 31 11.280 -3.277 -2.483 187 HZ1 LYS 31 1HZ LYS 31 12.284 -3.481 -4.847 188 HZ2 LYS 31 2HZ LYS 31 10.716 -3.113 -5.362 189 HZ3 LYS 31 3HZ LYS 31 10.992 -4.476 -4.400 190 H CYS 32 H CYS 32 6.486 -0.376 -1.778 191 HA CYS 32 HA CYS 32 4.719 -2.277 -2.714 192 HB3 CYS 32 2HB CYS 32 5.139 -0.428 -4.828 193 H VAL 33 H VAL 33 5.133 -4.108 -3.748 194 HA VAL 33 HA VAL 33 7.254 -4.121 -5.797 195 HB VAL 33 HB VAL 33 7.209 -6.669 -5.362 196 HG11 VAL 33 1HG1 VAL 33 8.662 -4.517 -4.204 197 HG12 VAL 33 2HG1 VAL 33 8.457 -5.772 -2.981 198 HG13 VAL 33 3HG1 VAL 33 9.204 -6.163 -4.531 199 HG21 VAL 33 1HG2 VAL 33 5.163 -6.030 -3.683 200 HG22 VAL 33 2HG2 VAL 33 6.121 -7.508 -3.585 201 HG23 VAL 33 3HG2 VAL 33 6.522 -6.127 -2.564 202 H SER 34 H SER 34 6.732 -4.724 -7.813 203 HA SER 34 HA SER 34 4.113 -4.789 -8.710 204 HB3 SER 34 2HB SER 34 6.431 -6.162 -10.084 205 HG SER 34 HG SER 34 4.501 -6.437 -11.172 Start of MODEL 7 1 H1 SER 1 H SER 1 -6.628 21.215 -12.346 2 HA SER 1 HA SER 1 -4.466 20.561 -14.231 3 HB3 SER 1 2HB SER 1 -4.148 22.079 -11.629 4 HG SER 1 HG SER 1 -1.967 22.207 -12.296 5 H GLN 2 H GLN 2 -2.941 19.004 -13.475 6 HA GLN 2 HA GLN 2 -3.927 17.375 -11.226 7 HB3 GLN 2 2HB GLN 2 -2.890 15.427 -12.534 8 HG3 GLN 2 2HG GLN 2 -4.838 15.321 -14.178 9 HE21 GLN 2 1HE2 GLN 2 -6.456 16.787 -11.587 10 HE22 GLN 2 2HE2 GLN 2 -6.750 15.365 -10.650 11 H GLU 3 H GLU 3 -2.491 16.840 -9.691 12 HA GLU 3 HA GLU 3 0.349 16.813 -10.230 13 HB3 GLU 3 2HB GLU 3 0.221 19.127 -9.802 14 HG3 GLU 3 2HG GLU 3 -1.880 18.394 -7.874 15 H GLN 4 H GLN 4 -1.042 14.655 -9.595 16 HA GLN 4 HA GLN 4 -0.551 14.231 -6.721 17 HB3 GLN 4 2HB GLN 4 -2.191 12.157 -7.744 18 HG3 GLN 4 2HG GLN 4 -2.890 14.513 -6.008 19 HE21 GLN 4 1HE2 GLN 4 -4.847 14.486 -5.018 20 HE22 GLN 4 2HE2 GLN 4 -6.110 13.375 -5.412 21 H ARG 5 H ARG 5 1.172 13.030 -6.313 22 HA ARG 5 HA ARG 5 2.203 11.244 -8.386 23 HB3 ARG 5 2HB ARG 5 3.616 11.722 -5.797 24 HG3 ARG 5 2HG ARG 5 4.698 11.679 -8.600 25 HD3 ARG 5 2HD ARG 5 6.436 10.747 -6.514 26 HE ARG 5 HE ARG 5 7.106 13.211 -7.806 27 HH11 ARG 5 1HH1 ARG 5 6.803 9.772 -8.253 28 HH12 ARG 5 2HH1 ARG 5 7.941 9.710 -9.558 29 HH21 ARG 5 1HH2 ARG 5 8.607 13.143 -9.523 30 HH22 ARG 5 2HH2 ARG 5 8.968 11.627 -10.278 31 H GLN 6 H GLN 6 -0.154 10.434 -7.046 32 HA GLN 6 HA GLN 6 -1.081 8.670 -5.943 33 HB3 GLN 6 2HB GLN 6 1.272 6.937 -6.083 34 HG3 GLN 6 2HG GLN 6 -1.139 6.603 -7.790 35 HE21 GLN 6 1HE2 GLN 6 -1.264 4.588 -8.540 36 HE22 GLN 6 2HE2 GLN 6 -0.235 3.283 -8.067 37 H CYS 7 H CYS 7 -0.276 6.759 -4.256 38 HA CYS 7 HA CYS 7 0.618 8.301 -1.952 39 HB3 CYS 7 2HB CYS 7 -0.348 6.633 -0.603 40 H LYS 8 H LYS 8 1.376 5.167 -3.468 41 HA LYS 8 HA LYS 8 4.187 5.543 -3.032 42 HB3 LYS 8 2HB LYS 8 4.180 3.203 -1.774 43 HG3 LYS 8 2HG LYS 8 4.632 5.796 -0.960 44 HD3 LYS 8 2HD LYS 8 2.198 5.018 0.211 45 HE3 LYS 8 2HE LYS 8 4.490 4.973 2.172 46 HZ1 LYS 8 1HZ LYS 8 2.870 4.878 3.875 47 HZ2 LYS 8 2HZ LYS 8 1.592 4.787 2.770 48 HZ3 LYS 8 3HZ LYS 8 2.480 6.220 2.922 49 H LYS 9 H LYS 9 4.717 5.060 -5.080 50 HA LYS 9 HA LYS 9 3.475 2.872 -6.495 51 HB3 LYS 9 2HB LYS 9 4.878 3.547 -8.369 52 HG3 LYS 9 2HG LYS 9 4.363 6.266 -7.580 53 HD3 LYS 9 2HD LYS 9 2.581 4.684 -9.369 54 HE3 LYS 9 2HE LYS 9 3.994 7.260 -9.957 55 HZ1 LYS 9 1HZ LYS 9 2.102 5.711 -11.275 56 HZ2 LYS 9 2HZ LYS 9 2.675 7.240 -11.718 57 HZ3 LYS 9 3HZ LYS 9 1.296 7.102 -10.749 58 H ILE 10 H ILE 10 5.392 1.690 -7.941 59 HA ILE 10 HA ILE 10 6.462 -0.235 -6.205 60 HB ILE 10 HB ILE 10 7.369 0.375 -9.021 61 HG13 ILE 10 2HG1 ILE 10 5.755 -1.400 -9.672 62 HG21 ILE 10 1HG2 ILE 10 8.929 -1.143 -8.448 63 HG22 ILE 10 2HG2 ILE 10 7.995 -1.741 -7.077 64 HG23 ILE 10 3HG2 ILE 10 7.622 -2.298 -8.707 65 HD11 ILE 10 1HD1 ILE 10 4.125 -1.136 -7.273 66 HD12 ILE 10 2HD1 ILE 10 4.470 -2.552 -8.268 67 HD13 ILE 10 3HD1 ILE 10 5.615 -2.047 -7.025 68 H GLY 11 H GLY 11 8.159 -0.137 -4.899 69 HA2 GLY 11 2HA GLY 11 10.535 0.137 -4.610 70 HA3 GLY 11 3HA GLY 11 10.466 1.507 -5.708 71 H GLU 12 H GLU 12 7.826 1.721 -3.739 72 HA GLU 12 HA GLU 12 9.105 3.788 -2.138 73 HB3 GLU 12 2HB GLU 12 6.742 4.297 -1.440 74 HG3 GLU 12 2HG GLU 12 6.155 5.448 -3.348 75 H HIS 13 H HIS 13 8.109 3.973 0.182 76 HA HIS 13 HA HIS 13 8.573 1.379 1.478 77 HB3 HIS 13 2HB HIS 13 8.620 4.110 2.769 78 HD1 HIS 13 1HD HIS 13 7.783 3.187 5.019 79 HD2 HIS 13 2HD HIS 13 11.120 1.213 3.527 80 HE1 HIS 13 1HE HIS 13 8.639 1.779 6.920 81 H CYS 14 H CYS 14 7.145 0.524 2.945 82 HA CYS 14 HA CYS 14 4.882 1.934 3.941 83 HB3 CYS 14 2HB CYS 14 3.916 1.707 1.792 84 H TYR 15 H TYR 15 3.812 0.801 5.552 85 HA TYR 15 HA TYR 15 5.225 -1.542 6.526 86 HB3 TYR 15 2HB TYR 15 3.967 -1.212 8.585 87 HD1 TYR 15 1HD TYR 15 6.441 -0.710 8.858 88 HD2 TYR 15 2HD TYR 15 3.600 2.254 7.743 89 HE1 TYR 15 1HE TYR 15 8.018 1.049 9.540 90 HE2 TYR 15 2HE TYR 15 5.170 4.022 8.422 91 HH TYR 15 HH TYR 15 8.216 3.766 8.708 92 H VAL 16 H VAL 16 2.090 -0.672 5.230 93 HA VAL 16 HA VAL 16 1.411 -3.529 5.109 94 HB VAL 16 HB VAL 16 -0.998 -2.879 5.496 95 HG11 VAL 16 1HG1 VAL 16 0.087 -2.189 8.064 96 HG12 VAL 16 2HG1 VAL 16 -0.668 -3.694 7.537 97 HG13 VAL 16 3HG1 VAL 16 1.064 -3.447 7.307 98 HG21 VAL 16 1HG2 VAL 16 -1.623 -0.802 6.195 99 HG22 VAL 16 2HG2 VAL 16 -0.062 -0.460 6.940 100 HG23 VAL 16 3HG2 VAL 16 -0.245 -0.353 5.189 101 H ALA 17 H ALA 17 -0.651 -3.757 3.644 102 HA ALA 17 HA ALA 17 0.091 -2.833 1.065 103 HB1 ALA 17 1HB ALA 17 -2.212 -3.837 0.462 104 HB2 ALA 17 2HB ALA 17 -0.941 -4.910 1.049 105 HB3 ALA 17 3HB ALA 17 -2.228 -4.392 2.136 106 H ASP 18 H ASP 18 -2.509 -1.958 3.305 107 HA ASP 18 HA ASP 18 -3.947 -0.227 1.680 108 HB3 ASP 18 2HB ASP 18 -3.941 0.909 4.267 109 H GLU 19 H GLU 19 -0.951 0.290 3.424 110 HA GLU 19 HA GLU 19 -0.840 3.090 3.258 111 HB3 GLU 19 2HB GLU 19 1.725 2.608 3.320 112 HG3 GLU 19 2HG GLU 19 1.090 1.360 5.714 113 H CYS 20 H CYS 20 -0.082 0.578 0.950 114 HA CYS 20 HA CYS 20 1.105 2.475 -0.913 115 HB3 CYS 20 2HB CYS 20 0.702 -0.059 -2.134 116 H CYS 21 H CYS 21 0.021 3.460 -2.487 117 HA CYS 21 HA CYS 21 -2.764 3.333 -2.722 118 HB3 CYS 21 2HB CYS 21 -1.706 4.271 -5.182 119 H SER 22 H SER 22 -0.239 1.520 -4.288 120 HA SER 22 HA SER 22 -1.996 0.436 -6.315 121 HB3 SER 22 2HB SER 22 0.837 -0.326 -5.563 122 HG SER 22 HG SER 22 0.219 -1.964 -6.793 123 H LYS 23 H LYS 23 -1.190 -0.263 -3.090 124 HA LYS 23 HA LYS 23 -1.804 -1.926 -1.664 125 HB3 LYS 23 2HB LYS 23 -3.718 -3.289 -2.203 126 HG3 LYS 23 2HG LYS 23 -4.961 -1.284 -3.682 127 HD3 LYS 23 2HD LYS 23 -4.653 -1.384 -0.685 128 HE3 LYS 23 2HE LYS 23 -6.135 0.288 -2.375 129 HZ1 LYS 23 1HZ LYS 23 -8.382 -0.451 -1.185 130 HZ2 LYS 23 2HZ LYS 23 -7.700 -1.978 -1.437 131 HZ3 LYS 23 3HZ LYS 23 -7.969 -0.944 -2.749 132 H ARG 24 H ARG 24 0.576 -2.291 -2.939 133 HA ARG 24 HA ARG 24 0.635 -5.210 -3.304 134 HB3 ARG 24 2HB ARG 24 2.797 -4.342 -4.757 135 HG3 ARG 24 2HG ARG 24 1.515 -4.848 -6.773 136 HD3 ARG 24 2HD ARG 24 0.370 -6.910 -5.073 137 HE ARG 24 HE ARG 24 1.915 -6.808 -7.436 138 HH11 ARG 24 1HH1 ARG 24 1.317 -8.810 -4.652 139 HH12 ARG 24 2HH1 ARG 24 1.718 -10.286 -5.464 140 HH21 ARG 24 1HH2 ARG 24 2.446 -8.745 -8.517 141 HH22 ARG 24 2HH2 ARG 24 2.361 -10.248 -7.663 142 H CYS 25 H CYS 25 1.079 -3.633 -0.919 143 HA CYS 25 HA CYS 25 3.953 -3.655 -0.501 144 HB3 CYS 25 2HB CYS 25 1.939 -3.159 1.668 145 H LEU 26 H LEU 26 5.001 -4.903 1.100 146 HA LEU 26 HA LEU 26 3.500 -7.231 2.083 147 HB3 LEU 26 2HB LEU 26 6.298 -7.387 0.983 148 HG LEU 26 HG LEU 26 5.394 -9.232 2.566 149 HD11 LEU 26 1HD1 LEU 26 3.210 -9.278 1.190 150 HD12 LEU 26 2HD1 LEU 26 3.919 -10.804 1.716 151 HD13 LEU 26 3HD1 LEU 26 4.137 -10.259 0.053 152 HD21 LEU 26 1HD2 LEU 26 6.301 -10.368 -0.024 153 HD22 LEU 26 2HD2 LEU 26 6.876 -10.680 1.614 154 HD23 LEU 26 3HD2 LEU 26 7.346 -9.197 0.782 155 H PHE 27 H PHE 27 4.303 -8.178 4.002 156 HA PHE 27 HA PHE 27 5.374 -6.330 5.860 157 HB3 PHE 27 2HB PHE 27 5.581 -8.506 7.287 158 HD1 PHE 27 1HD PHE 27 4.254 -7.967 9.066 159 HD2 PHE 27 2HD PHE 27 2.652 -7.636 5.137 160 HE1 PHE 27 1HE PHE 27 2.118 -7.190 10.007 161 HE2 PHE 27 2HE PHE 27 0.512 -6.858 6.072 162 HZ PHE 27 HZ PHE 27 0.244 -6.633 8.509 163 H TYR 28 H TYR 28 6.786 -8.804 3.855 164 HA TYR 28 HA TYR 28 9.333 -8.716 5.239 165 HB3 TYR 28 2HB TYR 28 10.053 -10.304 3.446 166 HD1 TYR 28 1HD TYR 28 10.361 -11.430 5.614 167 HD2 TYR 28 2HD TYR 28 6.560 -11.289 3.706 168 HE1 TYR 28 1HE TYR 28 9.564 -13.237 7.080 169 HE2 TYR 28 2HE TYR 28 5.754 -13.095 5.167 170 HH TYR 28 HH TYR 28 6.886 -13.918 7.873 171 H ALA 29 H ALA 29 8.103 -7.883 2.004 172 HA ALA 29 HA ALA 29 10.522 -6.702 1.112 173 HB1 ALA 29 1HB ALA 29 9.462 -6.442 -0.853 174 HB2 ALA 29 2HB ALA 29 8.242 -7.484 -0.117 175 HB3 ALA 29 3HB ALA 29 8.030 -5.732 -0.108 176 H ALA 30 H ALA 30 7.585 -5.399 2.588 177 HA ALA 30 HA ALA 30 7.133 -3.403 3.585 178 HB1 ALA 30 1HB ALA 30 9.789 -3.998 4.246 179 HB2 ALA 30 2HB ALA 30 9.771 -2.290 3.800 180 HB3 ALA 30 3HB ALA 30 8.699 -2.882 5.069 181 H LYS 31 H LYS 31 8.028 -3.706 0.573 182 HA LYS 31 HA LYS 31 7.688 -0.858 -0.004 183 HB3 LYS 31 2HB LYS 31 9.975 -2.580 -0.892 184 HG3 LYS 31 2HG LYS 31 10.380 -0.453 -2.439 185 HD3 LYS 31 2HD LYS 31 9.276 -1.842 -4.310 186 HE3 LYS 31 2HE LYS 31 11.644 -2.231 -2.765 187 HZ1 LYS 31 1HZ LYS 31 10.392 -4.467 -2.453 188 HZ2 LYS 31 2HZ LYS 31 12.032 -4.473 -2.867 189 HZ3 LYS 31 3HZ LYS 31 10.859 -4.752 -4.053 190 H CYS 32 H CYS 32 6.478 -0.431 -1.798 191 HA CYS 32 HA CYS 32 4.678 -2.295 -2.747 192 HB3 CYS 32 2HB CYS 32 5.092 -0.411 -4.830 193 H VAL 33 H VAL 33 5.055 -4.111 -3.820 194 HA VAL 33 HA VAL 33 7.150 -4.108 -5.897 195 HB VAL 33 HB VAL 33 7.085 -6.664 -5.509 196 HG11 VAL 33 1HG1 VAL 33 8.574 -4.548 -4.329 197 HG12 VAL 33 2HG1 VAL 33 8.368 -5.823 -3.126 198 HG13 VAL 33 3HG1 VAL 33 9.093 -6.194 -4.690 199 HG21 VAL 33 1HG2 VAL 33 5.066 -6.033 -3.792 200 HG22 VAL 33 2HG2 VAL 33 6.005 -7.525 -3.739 201 HG23 VAL 33 3HG2 VAL 33 6.439 -6.173 -2.693 202 H SER 34 H SER 34 6.594 -4.669 -7.917 203 HA SER 34 HA SER 34 3.965 -4.686 -8.782 204 HB3 SER 34 2HB SER 34 6.493 -5.734 -10.050 205 HG SER 34 HG SER 34 5.313 -6.650 -11.512 Start of MODEL 8 1 H1 SER 1 H SER 1 -5.437 20.129 -16.759 2 HA SER 1 HA SER 1 -8.122 19.642 -17.763 3 HB3 SER 1 2HB SER 1 -6.447 17.772 -18.945 4 HG SER 1 HG SER 1 -7.275 18.811 -20.559 5 H GLN 2 H GLN 2 -5.495 17.694 -16.342 6 HA GLN 2 HA GLN 2 -7.490 16.069 -14.970 7 HB3 GLN 2 2HB GLN 2 -5.845 14.081 -15.748 8 HG3 GLN 2 2HG GLN 2 -8.040 14.981 -17.583 9 HE21 GLN 2 1HE2 GLN 2 -8.380 12.104 -15.858 10 HE22 GLN 2 2HE2 GLN 2 -7.892 11.009 -17.101 11 H GLU 3 H GLU 3 -6.297 14.396 -13.531 12 HA GLU 3 HA GLU 3 -3.703 15.332 -12.600 13 HB3 GLU 3 2HB GLU 3 -5.370 16.686 -11.361 14 HG3 GLU 3 2HG GLU 3 -6.174 14.327 -9.761 15 H GLN 4 H GLN 4 -2.620 13.833 -11.238 16 HA GLN 4 HA GLN 4 -3.881 11.229 -10.852 17 HB3 GLN 4 2HB GLN 4 -1.256 10.678 -11.750 18 HG3 GLN 4 2HG GLN 4 -3.602 10.293 -13.539 19 HE21 GLN 4 1HE2 GLN 4 -3.342 7.433 -13.040 20 HE22 GLN 4 2HE2 GLN 4 -1.888 6.938 -13.829 21 H ARG 5 H ARG 5 -3.779 11.379 -8.654 22 HA ARG 5 HA ARG 5 -1.281 12.106 -7.360 23 HB3 ARG 5 2HB ARG 5 -3.797 11.170 -5.993 24 HG3 ARG 5 2HG ARG 5 -1.424 12.784 -5.168 25 HD3 ARG 5 2HD ARG 5 -2.921 13.164 -3.051 26 HE ARG 5 HE ARG 5 -3.710 15.140 -4.929 27 HH11 ARG 5 1HH1 ARG 5 -0.920 13.773 -3.357 28 HH12 ARG 5 2HH1 ARG 5 0.022 15.222 -3.481 29 HH21 ARG 5 1HH2 ARG 5 -2.479 17.053 -5.100 30 HH22 ARG 5 2HH2 ARG 5 -0.866 17.087 -4.472 31 H GLN 6 H GLN 6 0.060 10.737 -6.288 32 HA GLN 6 HA GLN 6 -0.661 7.881 -6.275 33 HB3 GLN 6 2HB GLN 6 1.030 8.506 -8.035 34 HG3 GLN 6 2HG GLN 6 3.195 8.557 -6.062 35 HE21 GLN 6 1HE2 GLN 6 3.750 11.314 -7.065 36 HE22 GLN 6 2HE2 GLN 6 4.348 11.088 -8.669 37 H CYS 7 H CYS 7 -0.185 6.728 -4.462 38 HA CYS 7 HA CYS 7 0.608 8.278 -2.126 39 HB3 CYS 7 2HB CYS 7 -0.367 6.586 -0.813 40 H LYS 8 H LYS 8 1.472 5.165 -3.632 41 HA LYS 8 HA LYS 8 4.262 5.594 -3.110 42 HB3 LYS 8 2HB LYS 8 4.262 3.248 -1.860 43 HG3 LYS 8 2HG LYS 8 4.642 5.847 -1.025 44 HD3 LYS 8 2HD LYS 8 2.190 5.020 0.072 45 HE3 LYS 8 2HE LYS 8 4.424 5.006 2.100 46 HZ1 LYS 8 1HZ LYS 8 1.487 4.879 2.529 47 HZ2 LYS 8 2HZ LYS 8 2.471 6.206 2.895 48 HZ3 LYS 8 3HZ LYS 8 2.674 4.748 3.728 49 H LYS 9 H LYS 9 4.865 5.128 -5.142 50 HA LYS 9 HA LYS 9 3.707 2.924 -6.601 51 HB3 LYS 9 2HB LYS 9 5.148 3.633 -8.430 52 HG3 LYS 9 2HG LYS 9 4.574 6.339 -7.628 53 HD3 LYS 9 2HD LYS 9 3.844 4.414 -9.751 54 HE3 LYS 9 2HE LYS 9 2.147 6.795 -9.024 55 HZ1 LYS 9 1HZ LYS 9 1.016 6.453 -11.100 56 HZ2 LYS 9 2HZ LYS 9 2.051 5.182 -11.514 57 HZ3 LYS 9 3HZ LYS 9 2.650 6.760 -11.412 58 H ILE 10 H ILE 10 5.703 1.795 -7.995 59 HA ILE 10 HA ILE 10 6.745 -0.125 -6.232 60 HB ILE 10 HB ILE 10 7.730 0.516 -9.014 61 HG13 ILE 10 2HG1 ILE 10 6.173 -1.286 -9.724 62 HG21 ILE 10 1HG2 ILE 10 8.023 -2.153 -8.704 63 HG22 ILE 10 2HG2 ILE 10 9.299 -0.975 -8.403 64 HG23 ILE 10 3HG2 ILE 10 8.337 -1.594 -7.061 65 HD11 ILE 10 1HD1 ILE 10 4.861 -2.467 -8.367 66 HD12 ILE 10 2HD1 ILE 10 5.961 -1.951 -7.088 67 HD13 ILE 10 3HD1 ILE 10 4.465 -1.064 -7.375 68 H GLY 11 H GLY 11 8.406 -0.013 -4.880 69 HA2 GLY 11 2HA GLY 11 10.763 0.307 -4.510 70 HA3 GLY 11 3HA GLY 11 10.704 1.681 -5.604 71 H GLU 12 H GLU 12 7.999 1.845 -3.725 72 HA GLU 12 HA GLU 12 9.187 3.926 -2.076 73 HB3 GLU 12 2HB GLU 12 6.796 4.385 -1.446 74 HG3 GLU 12 2HG GLU 12 6.239 5.525 -3.369 75 H HIS 13 H HIS 13 8.108 4.079 0.214 76 HA HIS 13 HA HIS 13 8.590 1.489 1.514 77 HB3 HIS 13 2HB HIS 13 8.551 4.216 2.814 78 HD1 HIS 13 1HD HIS 13 7.658 3.264 5.034 79 HD2 HIS 13 2HD HIS 13 11.082 1.366 3.641 80 HE1 HIS 13 1HE HIS 13 8.481 1.867 6.956 81 H CYS 14 H CYS 14 7.135 0.601 2.933 82 HA CYS 14 HA CYS 14 4.819 1.964 3.872 83 HB3 CYS 14 2HB CYS 14 3.921 1.731 1.693 84 H TYR 15 H TYR 15 3.720 0.800 5.442 85 HA TYR 15 HA TYR 15 5.148 -1.521 6.446 86 HB3 TYR 15 2HB TYR 15 3.694 -1.242 8.442 87 HD1 TYR 15 1HD TYR 15 3.809 2.265 7.585 88 HD2 TYR 15 2HD TYR 15 6.108 -1.000 9.053 89 HE1 TYR 15 1HE TYR 15 5.483 3.843 8.456 90 HE2 TYR 15 2HE TYR 15 7.787 0.569 9.929 91 HH TYR 15 HH TYR 15 7.411 4.080 9.521 92 H VAL 16 H VAL 16 2.040 -0.701 5.059 93 HA VAL 16 HA VAL 16 1.415 -3.568 4.908 94 HB VAL 16 HB VAL 16 -1.019 -2.955 5.219 95 HG11 VAL 16 1HG1 VAL 16 0.897 -2.614 7.520 96 HG12 VAL 16 2HG1 VAL 16 -0.838 -2.875 7.697 97 HG13 VAL 16 3HG1 VAL 16 0.171 -4.116 6.953 98 HG21 VAL 16 1HG2 VAL 16 -1.691 -0.891 5.880 99 HG22 VAL 16 2HG2 VAL 16 -0.192 -0.557 6.748 100 HG23 VAL 16 3HG2 VAL 16 -0.247 -0.406 4.991 101 H ALA 17 H ALA 17 -0.594 -3.829 3.378 102 HA ALA 17 HA ALA 17 0.206 -2.877 0.827 103 HB1 ALA 17 1HB ALA 17 -2.116 -4.482 1.822 104 HB2 ALA 17 2HB ALA 17 -2.057 -3.923 0.150 105 HB3 ALA 17 3HB ALA 17 -0.786 -4.974 0.774 106 H ASP 18 H ASP 18 -2.475 -2.061 2.993 107 HA ASP 18 HA ASP 18 -3.896 -0.350 1.333 108 HB3 ASP 18 2HB ASP 18 -3.498 0.053 4.302 109 H GLU 19 H GLU 19 -0.964 0.215 3.170 110 HA GLU 19 HA GLU 19 -0.899 3.017 3.017 111 HB3 GLU 19 2HB GLU 19 1.762 2.110 2.889 112 HG3 GLU 19 2HG GLU 19 0.370 3.708 4.535 113 H CYS 20 H CYS 20 -0.027 0.530 0.723 114 HA CYS 20 HA CYS 20 1.178 2.457 -1.096 115 HB3 CYS 20 2HB CYS 20 0.863 -0.080 -2.339 116 H CYS 21 H CYS 21 0.124 3.426 -2.700 117 HA CYS 21 HA CYS 21 -2.650 3.245 -3.019 118 HB3 CYS 21 2HB CYS 21 -1.540 4.214 -5.444 119 H SER 22 H SER 22 -0.046 1.486 -4.514 120 HA SER 22 HA SER 22 -1.720 0.376 -6.596 121 HB3 SER 22 2HB SER 22 1.057 -0.513 -5.798 122 HG SER 22 HG SER 22 0.242 -0.482 -8.431 123 H LYS 23 H LYS 23 -0.996 -0.318 -3.350 124 HA LYS 23 HA LYS 23 -1.619 -1.998 -1.949 125 HB3 LYS 23 2HB LYS 23 -3.489 -3.397 -2.549 126 HG3 LYS 23 2HG LYS 23 -4.728 -1.414 -4.060 127 HD3 LYS 23 2HD LYS 23 -4.505 -1.519 -1.055 128 HE3 LYS 23 2HE LYS 23 -6.732 -0.661 -2.901 129 HZ1 LYS 23 1HZ LYS 23 -7.863 -0.005 -0.895 130 HZ2 LYS 23 2HZ LYS 23 -6.584 -0.560 0.064 131 HZ3 LYS 23 3HZ LYS 23 -7.516 -1.660 -0.823 132 H ARG 24 H ARG 24 0.804 -2.308 -3.162 133 HA ARG 24 HA ARG 24 0.933 -5.225 -3.533 134 HB3 ARG 24 2HB ARG 24 3.123 -4.293 -4.910 135 HG3 ARG 24 2HG ARG 24 1.921 -4.835 -6.968 136 HD3 ARG 24 2HD ARG 24 2.562 -6.553 -4.972 137 HE ARG 24 HE ARG 24 -0.102 -6.538 -4.620 138 HH11 ARG 24 1HH1 ARG 24 2.071 -8.897 -5.973 139 HH12 ARG 24 2HH1 ARG 24 1.104 -10.253 -5.496 140 HH21 ARG 24 1HH2 ARG 24 -1.383 -8.314 -3.986 141 HH22 ARG 24 2HH2 ARG 24 -0.861 -9.920 -4.366 142 H CYS 25 H CYS 25 1.271 -3.648 -1.128 143 HA CYS 25 HA CYS 25 4.131 -3.617 -0.619 144 HB3 CYS 25 2HB CYS 25 2.040 -3.169 1.486 145 H LEU 26 H LEU 26 5.153 -4.854 1.006 146 HA LEU 26 HA LEU 26 3.667 -7.212 1.936 147 HB3 LEU 26 2HB LEU 26 6.498 -7.313 0.917 148 HG LEU 26 HG LEU 26 5.581 -9.181 2.467 149 HD11 LEU 26 1HD1 LEU 26 4.414 -10.216 -0.086 150 HD12 LEU 26 2HD1 LEU 26 3.439 -9.260 1.029 151 HD13 LEU 26 3HD1 LEU 26 4.161 -10.776 1.567 152 HD21 LEU 26 1HD2 LEU 26 7.585 -9.105 0.743 153 HD22 LEU 26 2HD2 LEU 26 6.585 -10.286 -0.103 154 HD23 LEU 26 3HD2 LEU 26 7.115 -10.600 1.550 155 H PHE 27 H PHE 27 4.431 -8.152 3.874 156 HA PHE 27 HA PHE 27 5.415 -6.293 5.768 157 HB3 PHE 27 2HB PHE 27 5.615 -8.466 7.197 158 HD1 PHE 27 1HD PHE 27 2.743 -7.645 4.954 159 HD2 PHE 27 2HD PHE 27 4.219 -7.962 8.933 160 HE1 PHE 27 1HE PHE 27 0.559 -6.911 5.819 161 HE2 PHE 27 2HE PHE 27 2.038 -7.231 9.804 162 HZ PHE 27 HZ PHE 27 0.204 -6.704 8.246 163 H TYR 28 H TYR 28 6.927 -8.732 3.794 164 HA TYR 28 HA TYR 28 9.431 -8.608 5.253 165 HB3 TYR 28 2HB TYR 28 10.230 -10.173 3.472 166 HD1 TYR 28 1HD TYR 28 6.748 -11.217 3.635 167 HD2 TYR 28 2HD TYR 28 10.499 -11.306 5.642 168 HE1 TYR 28 1HE TYR 28 5.933 -13.045 5.065 169 HE2 TYR 28 2HE TYR 28 9.694 -13.136 7.076 170 HH TYR 28 HH TYR 28 6.739 -13.866 7.640 171 H ALA 29 H ALA 29 8.282 -7.780 1.987 172 HA ALA 29 HA ALA 29 10.705 -6.551 1.174 173 HB1 ALA 29 1HB ALA 29 9.647 -6.083 -0.809 174 HB2 ALA 29 2HB ALA 29 8.674 -7.431 -0.223 175 HB3 ALA 29 3HB ALA 29 8.093 -5.777 -0.035 176 H ALA 30 H ALA 30 7.701 -5.308 2.564 177 HA ALA 30 HA ALA 30 7.182 -3.326 3.555 178 HB1 ALA 30 1HB ALA 30 9.789 -2.164 3.855 179 HB2 ALA 30 2HB ALA 30 8.692 -2.785 5.089 180 HB3 ALA 30 3HB ALA 30 9.829 -3.871 4.292 181 H LYS 31 H LYS 31 8.174 -3.598 0.570 182 HA LYS 31 HA LYS 31 7.799 -0.755 -0.005 183 HB3 LYS 31 2HB LYS 31 10.143 -2.431 -0.827 184 HG3 LYS 31 2HG LYS 31 10.550 -0.289 -2.357 185 HD3 LYS 31 2HD LYS 31 9.527 -1.707 -4.262 186 HE3 LYS 31 2HE LYS 31 11.751 -2.435 -2.423 187 HZ1 LYS 31 1HZ LYS 31 10.834 -4.126 -4.684 188 HZ2 LYS 31 2HZ LYS 31 10.953 -4.587 -3.061 189 HZ3 LYS 31 3HZ LYS 31 12.353 -4.253 -3.950 190 H CYS 32 H CYS 32 6.629 -0.344 -1.827 191 HA CYS 32 HA CYS 32 4.895 -2.236 -2.840 192 HB3 CYS 32 2HB CYS 32 5.338 -0.335 -4.902 193 H VAL 33 H VAL 33 5.341 -4.040 -3.906 194 HA VAL 33 HA VAL 33 7.496 -3.992 -5.918 195 HB VAL 33 HB VAL 33 7.458 -6.551 -5.543 196 HG11 VAL 33 1HG1 VAL 33 8.661 -5.705 -3.123 197 HG12 VAL 33 2HG1 VAL 33 9.436 -6.049 -4.669 198 HG13 VAL 33 3HG1 VAL 33 8.877 -4.416 -4.307 199 HG21 VAL 33 1HG2 VAL 33 5.380 -5.963 -3.886 200 HG22 VAL 33 2HG2 VAL 33 6.347 -7.436 -3.802 201 HG23 VAL 33 3HG2 VAL 33 6.721 -6.074 -2.745 202 H SER 34 H SER 34 7.014 -4.551 -7.956 203 HA SER 34 HA SER 34 4.412 -4.610 -8.903 204 HB3 SER 34 2HB SER 34 7.057 -5.404 -10.047 205 HG SER 34 HG SER 34 6.186 -6.610 -11.514 Start of MODEL 9 1 H1 SER 1 H SER 1 1.108 19.489 -12.174 2 HA SER 1 HA SER 1 -1.279 20.581 -13.353 3 HB3 SER 1 2HB SER 1 0.833 21.763 -13.624 4 HG SER 1 HG SER 1 2.007 20.164 -15.437 5 H GLN 2 H GLN 2 -2.701 19.059 -14.014 6 HA GLN 2 HA GLN 2 -3.626 17.397 -15.260 7 HB3 GLN 2 2HB GLN 2 -1.288 17.466 -17.128 8 HG3 GLN 2 2HG GLN 2 -4.121 17.759 -17.963 9 HE21 GLN 2 1HE2 GLN 2 -2.764 14.898 -18.906 10 HE22 GLN 2 2HE2 GLN 2 -2.092 15.390 -20.419 11 H GLU 3 H GLU 3 -2.010 16.608 -13.094 12 HA GLU 3 HA GLU 3 -1.115 13.983 -14.064 13 HB3 GLU 3 2HB GLU 3 0.878 15.342 -13.648 14 HG3 GLU 3 2HG GLU 3 -0.250 15.646 -10.879 15 H GLN 4 H GLN 4 -0.611 12.616 -11.895 16 HA GLN 4 HA GLN 4 -2.656 13.098 -9.879 17 HB3 GLN 4 2HB GLN 4 -2.558 10.395 -11.184 18 HG3 GLN 4 2HG GLN 4 -4.534 11.858 -9.478 19 HE21 GLN 4 1HE2 GLN 4 -6.506 10.639 -9.007 20 HE22 GLN 4 2HE2 GLN 4 -7.292 9.804 -10.300 21 H ARG 5 H ARG 5 -1.064 13.319 -8.339 22 HA ARG 5 HA ARG 5 1.132 11.574 -8.033 23 HB3 ARG 5 2HB ARG 5 -0.200 13.327 -5.962 24 HG3 ARG 5 2HG ARG 5 1.763 11.497 -5.481 25 HD3 ARG 5 2HD ARG 5 2.994 14.068 -6.365 26 HE ARG 5 HE ARG 5 3.707 12.806 -3.914 27 HH11 ARG 5 1HH1 ARG 5 5.019 14.364 -6.737 28 HH12 ARG 5 2HH1 ARG 5 6.464 14.888 -5.937 29 HH21 ARG 5 1HH2 ARG 5 5.605 13.489 -2.850 30 HH22 ARG 5 2HH2 ARG 5 6.797 14.389 -3.726 31 H GLN 6 H GLN 6 0.988 9.480 -7.586 32 HA GLN 6 HA GLN 6 -1.294 8.317 -6.323 33 HB3 GLN 6 2HB GLN 6 -0.112 6.210 -6.541 34 HG3 GLN 6 2HG GLN 6 0.193 8.045 -8.888 35 HE21 GLN 6 1HE2 GLN 6 -0.070 4.550 -8.367 36 HE22 GLN 6 2HE2 GLN 6 1.182 4.115 -9.476 37 H CYS 7 H CYS 7 -0.456 6.449 -4.600 38 HA CYS 7 HA CYS 7 0.332 8.046 -2.293 39 HB3 CYS 7 2HB CYS 7 -0.605 6.360 -0.948 40 H LYS 8 H LYS 8 1.236 4.927 -3.761 41 HA LYS 8 HA LYS 8 4.022 5.411 -3.271 42 HB3 LYS 8 2HB LYS 8 4.073 3.083 -1.989 43 HG3 LYS 8 2HG LYS 8 4.417 5.699 -1.195 44 HD3 LYS 8 2HD LYS 8 1.991 4.842 -0.058 45 HE3 LYS 8 2HE LYS 8 4.248 4.910 1.943 46 HZ1 LYS 8 1HZ LYS 8 1.376 4.541 2.546 47 HZ2 LYS 8 2HZ LYS 8 2.103 6.068 2.579 48 HZ3 LYS 8 3HZ LYS 8 2.644 4.851 3.622 49 H LYS 9 H LYS 9 4.619 4.923 -5.299 50 HA LYS 9 HA LYS 9 3.484 2.683 -6.721 51 HB3 LYS 9 2HB LYS 9 4.887 3.389 -8.571 52 HG3 LYS 9 2HG LYS 9 3.166 5.269 -7.197 53 HD3 LYS 9 2HD LYS 9 4.746 6.635 -9.278 54 HE3 LYS 9 2HE LYS 9 3.656 7.494 -6.600 55 HZ1 LYS 9 1HZ LYS 9 3.811 9.682 -8.136 56 HZ2 LYS 9 2HZ LYS 9 5.198 8.853 -8.633 57 HZ3 LYS 9 3HZ LYS 9 4.983 9.237 -6.999 58 H ILE 10 H ILE 10 5.522 1.595 -8.120 59 HA ILE 10 HA ILE 10 6.588 -0.299 -6.334 60 HB ILE 10 HB ILE 10 7.546 0.319 -9.130 61 HG13 ILE 10 2HG1 ILE 10 6.014 -1.520 -9.803 62 HG21 ILE 10 1HG2 ILE 10 8.198 -1.756 -7.151 63 HG22 ILE 10 2HG2 ILE 10 7.882 -2.342 -8.783 64 HG23 ILE 10 3HG2 ILE 10 9.143 -1.140 -8.507 65 HD11 ILE 10 1HD1 ILE 10 4.312 -1.289 -7.453 66 HD12 ILE 10 2HD1 ILE 10 4.735 -2.702 -8.420 67 HD13 ILE 10 3HD1 ILE 10 5.826 -2.142 -7.153 68 H GLY 11 H GLY 11 8.259 -0.154 -4.998 69 HA2 GLY 11 2HA GLY 11 10.611 0.209 -4.646 70 HA3 GLY 11 3HA GLY 11 10.525 1.569 -5.755 71 H GLU 12 H GLU 12 7.830 1.714 -3.861 72 HA GLU 12 HA GLU 12 8.993 3.838 -2.249 73 HB3 GLU 12 2HB GLU 12 6.606 4.268 -1.606 74 HG3 GLU 12 2HG GLU 12 5.998 5.350 -3.547 75 H HIS 13 H HIS 13 7.903 3.996 0.048 76 HA HIS 13 HA HIS 13 8.455 1.434 1.376 77 HB3 HIS 13 2HB HIS 13 8.392 4.179 2.638 78 HD1 HIS 13 1HD HIS 13 7.521 3.240 4.875 79 HD2 HIS 13 2HD HIS 13 10.973 1.386 3.493 80 HE1 HIS 13 1HE HIS 13 8.379 1.886 6.812 81 H CYS 14 H CYS 14 7.024 0.535 2.809 82 HA CYS 14 HA CYS 14 4.700 1.878 3.760 83 HB3 CYS 14 2HB CYS 14 3.780 1.608 1.597 84 H TYR 15 H TYR 15 3.633 0.718 5.356 85 HA TYR 15 HA TYR 15 5.106 -1.569 6.374 86 HB3 TYR 15 2HB TYR 15 3.653 -1.290 8.375 87 HD1 TYR 15 1HD TYR 15 3.681 2.213 7.594 88 HD2 TYR 15 2HD TYR 15 6.126 -1.028 8.867 89 HE1 TYR 15 1HE TYR 15 5.346 3.811 8.444 90 HE2 TYR 15 2HE TYR 15 7.797 0.562 9.721 91 HH TYR 15 HH TYR 15 8.387 3.148 9.052 92 H VAL 16 H VAL 16 1.973 -0.816 5.005 93 HA VAL 16 HA VAL 16 1.394 -3.696 4.892 94 HB VAL 16 HB VAL 16 -1.043 -3.130 5.222 95 HG11 VAL 16 1HG1 VAL 16 0.792 -3.906 6.994 96 HG12 VAL 16 2HG1 VAL 16 0.327 -2.374 7.738 97 HG13 VAL 16 3HG1 VAL 16 -0.890 -3.614 7.435 98 HG21 VAL 16 1HG2 VAL 16 -0.303 -0.563 4.945 99 HG22 VAL 16 2HG2 VAL 16 -1.761 -1.064 5.800 100 HG23 VAL 16 3HG2 VAL 16 -0.294 -0.688 6.705 101 H ALA 17 H ALA 17 -0.624 -4.007 3.384 102 HA ALA 17 HA ALA 17 0.143 -3.076 0.814 103 HB1 ALA 17 1HB ALA 17 -2.153 -4.699 1.845 104 HB2 ALA 17 2HB ALA 17 -2.104 -4.167 0.164 105 HB3 ALA 17 3HB ALA 17 -0.818 -5.191 0.802 106 H ASP 18 H ASP 18 -2.532 -2.271 2.992 107 HA ASP 18 HA ASP 18 -3.993 -0.604 1.323 108 HB3 ASP 18 2HB ASP 18 -3.564 -0.505 4.309 109 H GLU 19 H GLU 19 -1.054 0.029 3.123 110 HA GLU 19 HA GLU 19 -1.032 2.830 2.932 111 HB3 GLU 19 2HB GLU 19 1.536 2.456 3.067 112 HG3 GLU 19 2HG GLU 19 1.308 1.481 5.439 113 H CYS 20 H CYS 20 -0.144 0.325 0.663 114 HA CYS 20 HA CYS 20 1.012 2.249 -1.194 115 HB3 CYS 20 2HB CYS 20 0.730 -0.310 -2.399 116 H CYS 21 H CYS 21 -0.074 3.174 -2.802 117 HA CYS 21 HA CYS 21 -2.848 2.941 -3.090 118 HB3 CYS 21 2HB CYS 21 -1.781 3.895 -5.539 119 H SER 22 H SER 22 -0.227 1.207 -4.584 120 HA SER 22 HA SER 22 -1.900 0.039 -6.636 121 HB3 SER 22 2HB SER 22 0.752 -1.148 -6.031 122 HG SER 22 HG SER 22 -0.048 -0.049 -8.480 123 H LYS 23 H LYS 23 -1.138 -0.596 -3.387 124 HA LYS 23 HA LYS 23 -1.721 -2.266 -1.956 125 HB3 LYS 23 2HB LYS 23 -3.571 -3.706 -2.522 126 HG3 LYS 23 2HG LYS 23 -4.855 -1.767 -4.052 127 HD3 LYS 23 2HD LYS 23 -4.607 -1.825 -1.048 128 HE3 LYS 23 2HE LYS 23 -7.165 -1.342 -2.447 129 HZ1 LYS 23 1HZ LYS 23 -7.540 0.095 -0.634 130 HZ2 LYS 23 2HZ LYS 23 -5.903 0.138 -0.212 131 HZ3 LYS 23 3HZ LYS 23 -6.798 -1.279 0.017 132 H ARG 24 H ARG 24 0.697 -2.551 -3.198 133 HA ARG 24 HA ARG 24 0.875 -5.470 -3.524 134 HB3 ARG 24 2HB ARG 24 3.037 -4.520 -4.933 135 HG3 ARG 24 2HG ARG 24 1.827 -5.108 -6.973 136 HD3 ARG 24 2HD ARG 24 2.517 -6.789 -4.961 137 HE ARG 24 HE ARG 24 -0.144 -6.816 -4.585 138 HH11 ARG 24 1HH1 ARG 24 2.060 -9.154 -5.924 139 HH12 ARG 24 2HH1 ARG 24 1.122 -10.520 -5.420 140 HH21 ARG 24 1HH2 ARG 24 -1.387 -8.607 -3.915 141 HH22 ARG 24 2HH2 ARG 24 -0.839 -10.209 -4.278 142 H CYS 25 H CYS 25 1.204 -3.857 -1.144 143 HA CYS 25 HA CYS 25 4.067 -3.770 -0.660 144 HB3 CYS 25 2HB CYS 25 1.988 -3.329 1.457 145 H LEU 26 H LEU 26 5.121 -4.964 0.977 146 HA LEU 26 HA LEU 26 3.685 -7.338 1.948 147 HB3 LEU 26 2HB LEU 26 6.511 -7.400 0.913 148 HG LEU 26 HG LEU 26 5.641 -9.262 2.494 149 HD11 LEU 26 1HD1 LEU 26 4.473 -10.354 -0.035 150 HD12 LEU 26 2HD1 LEU 26 3.490 -9.400 1.075 151 HD13 LEU 26 3HD1 LEU 26 4.243 -10.895 1.628 152 HD21 LEU 26 1HD2 LEU 26 7.197 -10.660 1.590 153 HD22 LEU 26 2HD2 LEU 26 7.628 -9.171 0.748 154 HD23 LEU 26 3HD2 LEU 26 6.644 -10.392 -0.063 155 H PHE 27 H PHE 27 4.475 -8.236 3.894 156 HA PHE 27 HA PHE 27 5.435 -6.334 5.758 157 HB3 PHE 27 2HB PHE 27 5.689 -8.490 7.209 158 HD1 PHE 27 1HD PHE 27 4.309 -7.978 8.955 159 HD2 PHE 27 2HD PHE 27 2.777 -7.747 4.990 160 HE1 PHE 27 1HE PHE 27 2.126 -7.269 9.843 161 HE2 PHE 27 2HE PHE 27 0.592 -7.038 5.872 162 HZ PHE 27 HZ PHE 27 0.265 -6.797 8.301 163 H TYR 28 H TYR 28 6.983 -8.777 3.813 164 HA TYR 28 HA TYR 28 9.493 -8.578 5.253 165 HB3 TYR 28 2HB TYR 28 10.312 -10.162 3.502 166 HD1 TYR 28 1HD TYR 28 10.603 -11.255 5.687 167 HD2 TYR 28 2HD TYR 28 6.847 -11.262 3.688 168 HE1 TYR 28 1HE TYR 28 9.831 -13.072 7.155 169 HE2 TYR 28 2HE TYR 28 6.065 -13.076 5.151 170 HH TYR 28 HH TYR 28 6.635 -13.948 7.469 171 H ALA 29 H ALA 29 8.303 -7.827 1.983 172 HA ALA 29 HA ALA 29 10.696 -6.573 1.124 173 HB1 ALA 29 1HB ALA 29 8.427 -7.425 -0.117 174 HB2 ALA 29 2HB ALA 29 8.232 -5.673 -0.175 175 HB3 ALA 29 3HB ALA 29 9.672 -6.424 -0.863 176 H ALA 30 H ALA 30 7.689 -5.355 2.530 177 HA ALA 30 HA ALA 30 7.150 -3.364 3.491 178 HB1 ALA 30 1HB ALA 30 9.802 -3.868 4.223 179 HB2 ALA 30 2HB ALA 30 9.751 -2.170 3.748 180 HB3 ALA 30 3HB ALA 30 8.663 -2.767 5.001 181 H LYS 31 H LYS 31 8.117 -3.668 0.503 182 HA LYS 31 HA LYS 31 7.700 -0.840 -0.112 183 HB3 LYS 31 2HB LYS 31 10.059 -2.496 -0.931 184 HG3 LYS 31 2HG LYS 31 10.430 -0.374 -2.494 185 HD3 LYS 31 2HD LYS 31 9.408 -1.819 -4.372 186 HE3 LYS 31 2HE LYS 31 11.740 -2.174 -2.717 187 HZ1 LYS 31 1HZ LYS 31 12.207 -4.393 -2.981 188 HZ2 LYS 31 2HZ LYS 31 11.079 -4.613 -4.222 189 HZ3 LYS 31 3HZ LYS 31 10.555 -4.459 -2.621 190 H CYS 32 H CYS 32 6.513 -0.471 -1.933 191 HA CYS 32 HA CYS 32 4.797 -2.403 -2.901 192 HB3 CYS 32 2HB CYS 32 5.193 -0.521 -4.990 193 H VAL 33 H VAL 33 5.263 -4.215 -3.947 194 HA VAL 33 HA VAL 33 7.399 -4.157 -5.979 195 HB VAL 33 HB VAL 33 7.405 -6.711 -5.573 196 HG11 VAL 33 1HG1 VAL 33 8.611 -5.816 -3.172 197 HG12 VAL 33 2HG1 VAL 33 9.381 -6.171 -4.720 198 HG13 VAL 33 3HG1 VAL 33 8.800 -4.540 -4.374 199 HG21 VAL 33 1HG2 VAL 33 6.323 -7.592 -3.814 200 HG22 VAL 33 2HG2 VAL 33 6.681 -6.213 -2.775 201 HG23 VAL 33 3HG2 VAL 33 5.330 -6.137 -3.905 202 H SER 34 H SER 34 6.908 -4.747 -8.007 203 HA SER 34 HA SER 34 4.301 -4.856 -8.931 204 HB3 SER 34 2HB SER 34 6.926 -5.716 -10.105 205 HG SER 34 HG SER 34 5.789 -6.123 -12.060 Start of MODEL 10 1 H1 SER 1 H SER 1 5.378 11.554 -14.561 2 HA SER 1 HA SER 1 4.100 13.310 -13.367 3 HB3 SER 1 2HB SER 1 4.268 15.085 -15.273 4 HG SER 1 HG SER 1 6.365 15.278 -14.780 5 H GLN 2 H GLN 2 2.026 11.722 -13.648 6 HA GLN 2 HA GLN 2 0.080 13.036 -15.400 7 HB3 GLN 2 2HB GLN 2 -0.831 10.735 -13.824 8 HG3 GLN 2 2HG GLN 2 -0.708 11.069 -16.806 9 HE21 GLN 2 1HE2 GLN 2 -3.232 10.173 -14.520 10 HE22 GLN 2 2HE2 GLN 2 -3.467 8.573 -15.126 11 H GLU 3 H GLU 3 -2.117 13.401 -14.508 12 HA GLU 3 HA GLU 3 -2.003 15.049 -12.224 13 HB3 GLU 3 2HB GLU 3 -3.638 15.318 -14.071 14 HG3 GLU 3 2HG GLU 3 -5.182 13.084 -12.786 15 H GLN 4 H GLN 4 -3.308 14.803 -10.255 16 HA GLN 4 HA GLN 4 -3.801 13.717 -8.319 17 HB3 GLN 4 2HB GLN 4 -4.587 11.178 -8.895 18 HG3 GLN 4 2HG GLN 4 -6.416 13.429 -9.615 19 HE21 GLN 4 1HE2 GLN 4 -8.561 12.974 -9.121 20 HE22 GLN 4 2HE2 GLN 4 -9.109 11.368 -8.806 21 H ARG 5 H ARG 5 -1.814 13.591 -7.359 22 HA ARG 5 HA ARG 5 0.219 11.774 -8.087 23 HB3 ARG 5 2HB ARG 5 -0.056 12.858 -5.305 24 HG3 ARG 5 2HG ARG 5 2.358 12.816 -7.089 25 HD3 ARG 5 2HD ARG 5 1.776 13.485 -4.263 26 HE ARG 5 HE ARG 5 3.862 11.650 -4.878 27 HH11 ARG 5 1HH1 ARG 5 3.093 14.451 -2.957 28 HH12 ARG 5 2HH1 ARG 5 4.258 14.090 -1.728 29 HH21 ARG 5 1HH2 ARG 5 5.401 11.165 -3.266 30 HH22 ARG 5 2HH2 ARG 5 5.571 12.220 -1.905 31 H GLN 6 H GLN 6 0.814 9.797 -7.263 32 HA GLN 6 HA GLN 6 -1.310 8.227 -6.113 33 HB3 GLN 6 2HB GLN 6 0.649 6.460 -6.169 34 HG3 GLN 6 2HG GLN 6 -1.378 6.795 -7.788 35 HE21 GLN 6 1HE2 GLN 6 -2.034 7.969 -9.426 36 HE22 GLN 6 2HE2 GLN 6 -1.041 8.645 -10.667 37 H CYS 7 H CYS 7 -0.478 6.535 -4.379 38 HA CYS 7 HA CYS 7 0.348 8.144 -2.095 39 HB3 CYS 7 2HB CYS 7 -0.583 6.475 -0.726 40 H LYS 8 H LYS 8 1.213 5.008 -3.550 41 HA LYS 8 HA LYS 8 4.009 5.477 -3.087 42 HB3 LYS 8 2HB LYS 8 4.066 3.157 -1.803 43 HG3 LYS 8 2HG LYS 8 4.406 5.766 -1.003 44 HD3 LYS 8 2HD LYS 8 1.962 4.949 0.098 45 HE3 LYS 8 2HE LYS 8 3.568 3.653 1.672 46 HZ1 LYS 8 1HZ LYS 8 4.970 5.738 1.985 47 HZ2 LYS 8 2HZ LYS 8 4.570 4.857 3.372 48 HZ3 LYS 8 3HZ LYS 8 3.736 6.283 3.005 49 H LYS 9 H LYS 9 4.578 4.992 -5.124 50 HA LYS 9 HA LYS 9 3.423 2.752 -6.531 51 HB3 LYS 9 2HB LYS 9 4.822 3.455 -8.397 52 HG3 LYS 9 2HG LYS 9 4.217 6.164 -7.629 53 HD3 LYS 9 2HD LYS 9 2.356 5.597 -9.412 54 HE3 LYS 9 2HE LYS 9 5.009 5.349 -10.648 55 HZ1 LYS 9 1HZ LYS 9 2.578 6.518 -11.232 56 HZ2 LYS 9 2HZ LYS 9 3.995 6.593 -12.155 57 HZ3 LYS 9 3HZ LYS 9 3.656 7.807 -11.025 58 H ILE 10 H ILE 10 5.397 1.623 -7.945 59 HA ILE 10 HA ILE 10 6.505 -0.253 -6.178 60 HB ILE 10 HB ILE 10 7.428 0.361 -8.986 61 HG13 ILE 10 2HG1 ILE 10 5.882 -1.472 -9.641 62 HG21 ILE 10 1HG2 ILE 10 8.098 -1.714 -7.016 63 HG22 ILE 10 2HG2 ILE 10 7.760 -2.301 -8.643 64 HG23 ILE 10 3HG2 ILE 10 9.027 -1.102 -8.384 65 HD11 ILE 10 1HD1 ILE 10 5.726 -2.102 -6.995 66 HD12 ILE 10 2HD1 ILE 10 4.215 -1.232 -7.264 67 HD13 ILE 10 3HD1 ILE 10 4.606 -2.644 -8.244 68 H GLY 11 H GLY 11 8.188 -0.097 -4.857 69 HA2 GLY 11 2HA GLY 11 10.547 0.260 -4.539 70 HA3 GLY 11 3HA GLY 11 10.447 1.618 -5.649 71 H GLU 12 H GLU 12 7.778 1.762 -3.716 72 HA GLU 12 HA GLU 12 8.969 3.883 -2.116 73 HB3 GLU 12 2HB GLU 12 6.582 4.316 -1.449 74 HG3 GLU 12 2HG GLU 12 5.981 5.436 -3.370 75 H HIS 13 H HIS 13 7.940 4.052 0.192 76 HA HIS 13 HA HIS 13 8.472 1.483 1.512 77 HB3 HIS 13 2HB HIS 13 8.425 4.227 2.779 78 HD1 HIS 13 1HD HIS 13 7.580 3.293 5.024 79 HD2 HIS 13 2HD HIS 13 11.004 1.419 3.601 80 HE1 HIS 13 1HE HIS 13 8.451 1.931 6.950 81 H CYS 14 H CYS 14 7.054 0.596 2.970 82 HA CYS 14 HA CYS 14 4.740 1.944 3.934 83 HB3 CYS 14 2HB CYS 14 3.805 1.674 1.776 84 H TYR 15 H TYR 15 3.680 0.784 5.536 85 HA TYR 15 HA TYR 15 5.156 -1.507 6.542 86 HB3 TYR 15 2HB TYR 15 3.681 -1.224 8.548 87 HD1 TYR 15 1HD TYR 15 6.278 -1.066 8.807 88 HD2 TYR 15 2HD TYR 15 3.749 2.272 8.060 89 HE1 TYR 15 1HE TYR 15 8.013 0.438 9.689 90 HE2 TYR 15 2HE TYR 15 5.477 3.785 8.938 91 HH TYR 15 HH TYR 15 8.677 2.624 9.791 92 H VAL 16 H VAL 16 2.010 -0.738 5.209 93 HA VAL 16 HA VAL 16 1.415 -3.614 5.104 94 HB VAL 16 HB VAL 16 -1.003 -3.067 5.477 95 HG11 VAL 16 1HG1 VAL 16 -0.779 -3.566 7.660 96 HG12 VAL 16 2HG1 VAL 16 0.938 -3.668 7.267 97 HG13 VAL 16 3HG1 VAL 16 0.280 -2.192 7.973 98 HG21 VAL 16 1HG2 VAL 16 -1.751 -0.997 5.998 99 HG22 VAL 16 2HG2 VAL 16 -0.277 -0.563 6.866 100 HG23 VAL 16 3HG2 VAL 16 -0.314 -0.498 5.104 101 H ALA 17 H ALA 17 -0.614 -3.921 3.612 102 HA ALA 17 HA ALA 17 0.131 -2.991 1.035 103 HB1 ALA 17 1HB ALA 17 -2.151 -4.616 2.090 104 HB2 ALA 17 2HB ALA 17 -2.130 -4.077 0.410 105 HB3 ALA 17 3HB ALA 17 -0.832 -5.101 1.025 106 H ASP 18 H ASP 18 -2.526 -2.185 3.235 107 HA ASP 18 HA ASP 18 -3.997 -0.514 1.578 108 HB3 ASP 18 2HB ASP 18 -3.607 0.115 4.491 109 H GLU 19 H GLU 19 -1.043 0.112 3.357 110 HA GLU 19 HA GLU 19 -1.020 2.913 3.172 111 HB3 GLU 19 2HB GLU 19 1.546 2.540 3.292 112 HG3 GLU 19 2HG GLU 19 1.019 1.256 5.654 113 H CYS 20 H CYS 20 -0.152 0.412 0.892 114 HA CYS 20 HA CYS 20 0.997 2.334 -0.970 115 HB3 CYS 20 2HB CYS 20 0.694 -0.222 -2.176 116 H CYS 21 H CYS 21 -0.098 3.268 -2.568 117 HA CYS 21 HA CYS 21 -2.874 3.048 -2.836 118 HB3 CYS 21 2HB CYS 21 -1.819 4.002 -5.292 119 H SER 22 H SER 22 -0.270 1.310 -4.359 120 HA SER 22 HA SER 22 -1.964 0.151 -6.398 121 HB3 SER 22 2HB SER 22 0.927 -0.123 -5.636 122 HG SER 22 HG SER 22 0.601 -1.587 -7.737 123 H LYS 23 H LYS 23 -1.178 -0.496 -3.156 124 HA LYS 23 HA LYS 23 -1.758 -2.167 -1.725 125 HB3 LYS 23 2HB LYS 23 -3.621 -3.593 -2.277 126 HG3 LYS 23 2HG LYS 23 -4.907 -1.640 -3.788 127 HD3 LYS 23 2HD LYS 23 -4.634 -1.715 -0.786 128 HE3 LYS 23 2HE LYS 23 -6.625 -0.606 -2.719 129 HZ1 LYS 23 1HZ LYS 23 -7.472 -0.834 0.049 130 HZ2 LYS 23 2HZ LYS 23 -7.532 -2.265 -0.851 131 HZ3 LYS 23 3HZ LYS 23 -8.386 -0.901 -1.374 132 H ARG 24 H ARG 24 0.650 -2.467 -2.961 133 HA ARG 24 HA ARG 24 0.805 -5.385 -3.302 134 HB3 ARG 24 2HB ARG 24 2.956 -4.460 -4.736 135 HG3 ARG 24 2HG ARG 24 1.718 -5.024 -6.763 136 HD3 ARG 24 2HD ARG 24 0.781 -6.997 -4.729 137 HE ARG 24 HE ARG 24 2.354 -7.935 -6.902 138 HH11 ARG 24 1HH1 ARG 24 -0.810 -6.741 -6.076 139 HH12 ARG 24 2HH1 ARG 24 -1.605 -7.572 -7.371 140 HH21 ARG 24 1HH2 ARG 24 1.319 -9.035 -8.612 141 HH22 ARG 24 2HH2 ARG 24 -0.392 -8.878 -8.812 142 H CYS 25 H CYS 25 1.169 -3.775 -0.927 143 HA CYS 25 HA CYS 25 4.037 -3.701 -0.472 144 HB3 CYS 25 2HB CYS 25 1.981 -3.254 1.667 145 H LEU 26 H LEU 26 5.104 -4.905 1.150 146 HA LEU 26 HA LEU 26 3.667 -7.271 2.135 147 HB3 LEU 26 2HB LEU 26 6.480 -7.347 1.068 148 HG LEU 26 HG LEU 26 5.617 -9.207 2.656 149 HD11 LEU 26 1HD1 LEU 26 4.418 -10.291 0.138 150 HD12 LEU 26 2HD1 LEU 26 3.450 -9.332 1.256 151 HD13 LEU 26 3HD1 LEU 26 4.201 -10.831 1.803 152 HD21 LEU 26 1HD2 LEU 26 6.587 -10.334 0.084 153 HD22 LEU 26 2HD2 LEU 26 7.153 -10.617 1.731 154 HD23 LEU 26 3HD2 LEU 26 7.587 -9.126 0.893 155 H PHE 27 H PHE 27 4.476 -8.177 4.070 156 HA PHE 27 HA PHE 27 5.469 -6.281 5.924 157 HB3 PHE 27 2HB PHE 27 5.725 -8.436 7.374 158 HD1 PHE 27 1HD PHE 27 2.801 -7.674 5.177 159 HD2 PHE 27 2HD PHE 27 4.357 -7.928 9.131 160 HE1 PHE 27 1HE PHE 27 0.625 -6.955 6.076 161 HE2 PHE 27 2HE PHE 27 2.184 -7.210 10.036 162 HZ PHE 27 HZ PHE 27 0.314 -6.724 8.508 163 H TYR 28 H TYR 28 6.979 -8.727 3.956 164 HA TYR 28 HA TYR 28 9.506 -8.551 5.368 165 HB3 TYR 28 2HB TYR 28 10.294 -10.129 3.595 166 HD1 TYR 28 1HD TYR 28 10.613 -11.231 5.772 167 HD2 TYR 28 2HD TYR 28 6.829 -11.216 3.828 168 HE1 TYR 28 1HE TYR 28 9.856 -13.052 7.244 169 HE2 TYR 28 2HE TYR 28 6.061 -13.035 5.294 170 HH TYR 28 HH TYR 28 8.066 -14.929 7.077 171 H ALA 29 H ALA 29 8.288 -7.780 2.113 172 HA ALA 29 HA ALA 29 10.681 -6.532 1.240 173 HB1 ALA 29 1HB ALA 29 9.635 -6.312 -0.741 174 HB2 ALA 29 2HB ALA 29 8.450 -7.398 -0.015 175 HB3 ALA 29 3HB ALA 29 8.167 -5.657 -0.014 176 H ALA 30 H ALA 30 7.687 -5.309 2.670 177 HA ALA 30 HA ALA 30 7.161 -3.320 3.645 178 HB1 ALA 30 1HB ALA 30 8.692 -2.742 5.144 179 HB2 ALA 30 2HB ALA 30 9.828 -3.825 4.339 180 HB3 ALA 30 3HB ALA 30 9.759 -2.122 3.883 181 H LYS 31 H LYS 31 8.101 -3.619 0.645 182 HA LYS 31 HA LYS 31 7.679 -0.788 0.041 183 HB3 LYS 31 2HB LYS 31 10.029 -2.446 -0.805 184 HG3 LYS 31 2HG LYS 31 10.385 -0.320 -2.366 185 HD3 LYS 31 2HD LYS 31 9.345 -1.758 -4.238 186 HE3 LYS 31 2HE LYS 31 11.690 -2.128 -2.602 187 HZ1 LYS 31 1HZ LYS 31 10.449 -4.419 -2.575 188 HZ2 LYS 31 2HZ LYS 31 12.122 -4.338 -2.812 189 HZ3 LYS 31 3HZ LYS 31 11.089 -4.549 -4.136 190 H CYS 32 H CYS 32 6.477 -0.414 -1.769 191 HA CYS 32 HA CYS 32 4.747 -2.340 -2.723 192 HB3 CYS 32 2HB CYS 32 5.125 -0.461 -4.816 193 H VAL 33 H VAL 33 5.195 -4.152 -3.774 194 HA VAL 33 HA VAL 33 7.311 -4.100 -5.828 195 HB VAL 33 HB VAL 33 7.318 -6.655 -5.419 196 HG11 VAL 33 1HG1 VAL 33 8.730 -4.486 -4.242 197 HG12 VAL 33 2HG1 VAL 33 8.550 -5.757 -3.031 198 HG13 VAL 33 3HG1 VAL 33 9.302 -6.118 -4.585 199 HG21 VAL 33 1HG2 VAL 33 6.250 -7.533 -3.651 200 HG22 VAL 33 2HG2 VAL 33 6.625 -6.156 -2.614 201 HG23 VAL 33 3HG2 VAL 33 5.262 -6.074 -3.730 202 H SER 34 H SER 34 6.797 -4.693 -7.850 203 HA SER 34 HA SER 34 4.177 -4.801 -8.743 204 HB3 SER 34 2HB SER 34 6.769 -5.726 -9.966 205 HG SER 34 HG SER 34 4.830 -5.487 -11.789 Start of MODEL 11 1 H1 SER 1 H SER 1 5.890 21.349 -11.048 2 HA SER 1 HA SER 1 3.953 20.789 -12.280 3 HB3 SER 1 2HB SER 1 4.460 19.516 -14.534 4 HG SER 1 HG SER 1 3.480 21.407 -14.811 5 H GLN 2 H GLN 2 2.846 18.871 -12.092 6 HA GLN 2 HA GLN 2 4.169 16.332 -12.037 7 HB3 GLN 2 2HB GLN 2 2.925 17.104 -9.421 8 HG3 GLN 2 2HG GLN 2 3.492 14.723 -9.925 9 HE21 GLN 2 1HE2 GLN 2 4.730 13.854 -11.458 10 HE22 GLN 2 2HE2 GLN 2 6.456 13.916 -11.498 11 H GLU 3 H GLU 3 2.752 14.996 -12.927 12 HA GLU 3 HA GLU 3 -0.117 15.496 -12.497 13 HB3 GLU 3 2HB GLU 3 0.568 15.707 -14.831 14 HG3 GLU 3 2HG GLU 3 1.047 12.892 -15.332 15 H GLN 4 H GLN 4 -1.508 13.739 -12.112 16 HA GLN 4 HA GLN 4 -2.142 11.796 -11.115 17 HB3 GLN 4 2HB GLN 4 -0.052 10.003 -11.715 18 HG3 GLN 4 2HG GLN 4 -1.602 9.352 -13.637 19 HE21 GLN 4 1HE2 GLN 4 -3.921 10.162 -11.283 20 HE22 GLN 4 2HE2 GLN 4 -3.896 8.674 -10.406 21 H ARG 5 H ARG 5 -1.933 12.372 -8.979 22 HA ARG 5 HA ARG 5 0.649 11.944 -7.671 23 HB3 ARG 5 2HB ARG 5 -1.912 13.221 -6.706 24 HG3 ARG 5 2HG ARG 5 0.389 12.291 -5.187 25 HD3 ARG 5 2HD ARG 5 -0.565 15.020 -4.453 26 HE ARG 5 HE ARG 5 1.398 13.276 -3.440 27 HH11 ARG 5 1HH1 ARG 5 0.883 16.643 -4.157 28 HH12 ARG 5 2HH1 ARG 5 1.983 17.204 -2.942 29 HH21 ARG 5 1HH2 ARG 5 2.848 14.002 -1.836 30 HH22 ARG 5 2HH2 ARG 5 3.100 15.701 -1.622 31 H GLN 6 H GLN 6 0.961 9.855 -7.185 32 HA GLN 6 HA GLN 6 -1.269 8.252 -6.191 33 HB3 GLN 6 2HB GLN 6 0.627 6.442 -6.261 34 HG3 GLN 6 2HG GLN 6 0.404 6.609 -8.946 35 HE21 GLN 6 1HE2 GLN 6 -2.609 6.605 -7.189 36 HE22 GLN 6 2HE2 GLN 6 -2.824 4.891 -7.169 37 H CYS 7 H CYS 7 -0.447 6.559 -4.453 38 HA CYS 7 HA CYS 7 0.415 8.172 -2.185 39 HB3 CYS 7 2HB CYS 7 -0.529 6.523 -0.798 40 H LYS 8 H LYS 8 1.230 5.015 -3.625 41 HA LYS 8 HA LYS 8 4.034 5.450 -3.184 42 HB3 LYS 8 2HB LYS 8 4.069 3.137 -1.885 43 HG3 LYS 8 2HG LYS 8 4.449 5.748 -1.105 44 HD3 LYS 8 2HD LYS 8 2.001 4.980 0.013 45 HE3 LYS 8 2HE LYS 8 3.600 3.652 1.577 46 HZ1 LYS 8 1HZ LYS 8 4.490 4.903 3.374 47 HZ2 LYS 8 2HZ LYS 8 3.839 6.349 2.789 48 HZ3 LYS 8 3HZ LYS 8 5.091 5.584 1.947 49 H LYS 9 H LYS 9 4.587 4.942 -5.220 50 HA LYS 9 HA LYS 9 3.390 2.714 -6.608 51 HB3 LYS 9 2HB LYS 9 4.794 3.381 -8.483 52 HG3 LYS 9 2HG LYS 9 3.073 5.271 -7.123 53 HD3 LYS 9 2HD LYS 9 5.444 6.277 -8.633 54 HE3 LYS 9 2HE LYS 9 2.642 7.155 -8.974 55 HZ1 LYS 9 1HZ LYS 9 2.939 9.291 -8.530 56 HZ2 LYS 9 2HZ LYS 9 4.389 9.350 -9.400 57 HZ3 LYS 9 3HZ LYS 9 4.400 8.899 -7.769 58 H ILE 10 H ILE 10 5.377 1.576 -8.034 59 HA ILE 10 HA ILE 10 6.448 -0.321 -6.255 60 HB ILE 10 HB ILE 10 7.367 0.266 -9.071 61 HG13 ILE 10 2HG1 ILE 10 5.795 -1.553 -9.707 62 HG21 ILE 10 1HG2 ILE 10 7.670 -2.397 -8.718 63 HG22 ILE 10 2HG2 ILE 10 8.951 -1.213 -8.468 64 HG23 ILE 10 3HG2 ILE 10 8.022 -1.808 -7.093 65 HD11 ILE 10 1HD1 ILE 10 4.141 -1.276 -7.326 66 HD12 ILE 10 2HD1 ILE 10 4.516 -2.702 -8.293 67 HD13 ILE 10 3HD1 ILE 10 5.643 -2.157 -7.051 68 H GLY 11 H GLY 11 8.140 -0.186 -4.944 69 HA2 GLY 11 2HA GLY 11 10.505 0.138 -4.637 70 HA3 GLY 11 3HA GLY 11 10.420 1.493 -5.753 71 H GLU 12 H GLU 12 7.763 1.680 -3.805 72 HA GLU 12 HA GLU 12 8.987 3.794 -2.224 73 HB3 GLU 12 2HB GLU 12 6.618 4.270 -1.547 74 HG3 GLU 12 2HG GLU 12 6.005 5.361 -3.480 75 H HIS 13 H HIS 13 7.946 3.982 0.089 76 HA HIS 13 HA HIS 13 8.468 1.415 1.419 77 HB3 HIS 13 2HB HIS 13 8.468 4.165 2.671 78 HD1 HIS 13 1HD HIS 13 7.619 3.251 4.926 79 HD2 HIS 13 2HD HIS 13 11.013 1.328 3.496 80 HE1 HIS 13 1HE HIS 13 8.483 1.889 6.855 81 H CYS 14 H CYS 14 7.046 0.550 2.885 82 HA CYS 14 HA CYS 14 4.758 1.935 3.861 83 HB3 CYS 14 2HB CYS 14 3.802 1.670 1.712 84 H TYR 15 H TYR 15 3.693 0.796 5.475 85 HA TYR 15 HA TYR 15 5.143 -1.511 6.481 86 HB3 TYR 15 2HB TYR 15 3.821 -1.189 8.522 87 HD1 TYR 15 1HD TYR 15 3.660 2.279 7.470 88 HD2 TYR 15 2HD TYR 15 6.203 -0.743 9.055 89 HE1 TYR 15 1HE TYR 15 5.257 4.007 8.187 90 HE2 TYR 15 2HE TYR 15 7.805 0.977 9.778 91 HH TYR 15 HH TYR 15 7.050 4.368 9.640 92 H VAL 16 H VAL 16 2.004 -0.709 5.153 93 HA VAL 16 HA VAL 16 1.373 -3.578 5.063 94 HB VAL 16 HB VAL 16 -1.052 -2.959 5.422 95 HG11 VAL 16 1HG1 VAL 16 -0.463 -3.977 7.322 96 HG12 VAL 16 2HG1 VAL 16 1.095 -3.148 7.384 97 HG13 VAL 16 3HG1 VAL 16 -0.352 -2.356 8.010 98 HG21 VAL 16 1HG2 VAL 16 -0.310 -0.569 6.946 99 HG22 VAL 16 2HG2 VAL 16 -0.172 -0.389 5.198 100 HG23 VAL 16 3HG2 VAL 16 -1.709 -0.870 5.916 101 H ALA 17 H ALA 17 -0.671 -3.861 3.584 102 HA ALA 17 HA ALA 17 0.073 -2.951 1.000 103 HB1 ALA 17 1HB ALA 17 -2.224 -4.542 2.074 104 HB2 ALA 17 2HB ALA 17 -2.207 -4.007 0.393 105 HB3 ALA 17 3HB ALA 17 -0.920 -5.048 1.001 106 H ASP 18 H ASP 18 -2.560 -2.100 3.212 107 HA ASP 18 HA ASP 18 -4.017 -0.415 1.557 108 HB3 ASP 18 2HB ASP 18 -4.121 0.777 4.084 109 H GLU 19 H GLU 19 -1.044 0.177 3.317 110 HA GLU 19 HA GLU 19 -0.983 2.977 3.120 111 HB3 GLU 19 2HB GLU 19 1.651 2.328 3.051 112 HG3 GLU 19 2HG GLU 19 0.873 1.718 5.686 113 H CYS 20 H CYS 20 -0.163 0.455 0.845 114 HA CYS 20 HA CYS 20 0.999 2.355 -1.031 115 HB3 CYS 20 2HB CYS 20 0.657 -0.203 -2.225 116 H CYS 21 H CYS 21 -0.092 3.296 -2.627 117 HA CYS 21 HA CYS 21 -2.873 3.109 -2.878 118 HB3 CYS 21 2HB CYS 21 -1.819 4.040 -5.343 119 H SER 22 H SER 22 -0.301 1.330 -4.406 120 HA SER 22 HA SER 22 -2.018 0.187 -6.433 121 HB3 SER 22 2HB SER 22 0.635 -1.019 -5.834 122 HG SER 22 HG SER 22 0.196 -0.097 -8.334 123 H LYS 23 H LYS 23 -1.227 -0.458 -3.192 124 HA LYS 23 HA LYS 23 -1.822 -2.116 -1.752 125 HB3 LYS 23 2HB LYS 23 -3.705 -3.520 -2.291 126 HG3 LYS 23 2HG LYS 23 -4.973 -1.555 -3.803 127 HD3 LYS 23 2HD LYS 23 -4.686 -1.619 -0.802 128 HE3 LYS 23 2HE LYS 23 -7.137 -0.975 -2.409 129 HZ1 LYS 23 1HZ LYS 23 -6.966 0.502 -0.090 130 HZ2 LYS 23 2HZ LYS 23 -6.458 -1.051 0.344 131 HZ3 LYS 23 3HZ LYS 23 -7.972 -0.826 -0.377 132 H ARG 24 H ARG 24 0.576 -2.451 -3.004 133 HA ARG 24 HA ARG 24 0.691 -5.373 -3.332 134 HB3 ARG 24 2HB ARG 24 2.846 -4.481 -4.782 135 HG3 ARG 24 2HG ARG 24 1.590 -5.041 -6.799 136 HD3 ARG 24 2HD ARG 24 0.721 -6.954 -4.657 137 HE ARG 24 HE ARG 24 1.205 -7.195 -7.484 138 HH11 ARG 24 1HH1 ARG 24 1.054 -8.874 -4.438 139 HH12 ARG 24 2HH1 ARG 24 0.740 -10.419 -5.157 140 HH21 ARG 24 1HH2 ARG 24 0.792 -9.223 -8.442 141 HH22 ARG 24 2HH2 ARG 24 0.592 -10.617 -7.434 142 H CYS 25 H CYS 25 1.090 -3.758 -0.965 143 HA CYS 25 HA CYS 25 3.960 -3.718 -0.527 144 HB3 CYS 25 2HB CYS 25 1.922 -3.235 1.621 145 H LEU 26 H LEU 26 5.020 -4.926 1.097 146 HA LEU 26 HA LEU 26 3.559 -7.271 2.099 147 HB3 LEU 26 2HB LEU 26 6.367 -7.385 1.020 148 HG LEU 26 HG LEU 26 5.490 -9.228 2.621 149 HD11 LEU 26 1HD1 LEU 26 4.264 -10.308 0.115 150 HD12 LEU 26 2HD1 LEU 26 3.315 -9.333 1.235 151 HD13 LEU 26 3HD1 LEU 26 4.051 -10.839 1.783 152 HD21 LEU 26 1HD2 LEU 26 6.433 -10.380 0.051 153 HD22 LEU 26 2HD2 LEU 26 7.006 -10.658 1.695 154 HD23 LEU 26 3HD2 LEU 26 7.450 -9.178 0.844 155 H PHE 27 H PHE 27 4.365 -8.177 4.035 156 HA PHE 27 HA PHE 27 5.387 -6.286 5.876 157 HB3 PHE 27 2HB PHE 27 5.622 -8.435 7.336 158 HD1 PHE 27 1HD PHE 27 2.709 -7.636 5.139 159 HD2 PHE 27 2HD PHE 27 4.254 -7.926 9.094 160 HE1 PHE 27 1HE PHE 27 0.542 -6.892 6.036 161 HE2 PHE 27 2HE PHE 27 2.090 -7.184 9.998 162 HZ PHE 27 HZ PHE 27 0.230 -6.667 8.469 163 H TYR 28 H TYR 28 6.861 -8.762 3.917 164 HA TYR 28 HA TYR 28 9.396 -8.605 5.316 165 HB3 TYR 28 2HB TYR 28 10.158 -10.206 3.553 166 HD1 TYR 28 1HD TYR 28 6.680 -11.248 3.797 167 HD2 TYR 28 2HD TYR 28 10.464 -11.295 5.742 168 HE1 TYR 28 1HE TYR 28 5.891 -13.047 5.276 169 HE2 TYR 28 2HE TYR 28 9.686 -13.096 7.225 170 HH TYR 28 HH TYR 28 8.058 -14.631 7.562 171 H ALA 29 H ALA 29 8.171 -7.842 2.062 172 HA ALA 29 HA ALA 29 10.573 -6.629 1.167 173 HB1 ALA 29 1HB ALA 29 9.319 -5.911 -0.742 174 HB2 ALA 29 2HB ALA 29 8.793 -7.541 -0.317 175 HB3 ALA 29 3HB ALA 29 7.792 -6.153 0.109 176 H ALA 30 H ALA 30 7.606 -5.358 2.609 177 HA ALA 30 HA ALA 30 7.112 -3.356 3.574 178 HB1 ALA 30 1HB ALA 30 9.739 -2.205 3.784 179 HB2 ALA 30 2HB ALA 30 8.658 -2.773 5.057 180 HB3 ALA 30 3HB ALA 30 9.764 -3.900 4.272 181 H LYS 31 H LYS 31 8.030 -3.686 0.572 182 HA LYS 31 HA LYS 31 7.649 -0.851 -0.046 183 HB3 LYS 31 2HB LYS 31 9.968 -2.549 -0.896 184 HG3 LYS 31 2HG LYS 31 10.349 -0.437 -2.470 185 HD3 LYS 31 2HD LYS 31 9.277 -1.869 -4.328 186 HE3 LYS 31 2HE LYS 31 11.699 -1.966 -3.119 187 HZ1 LYS 31 1HZ LYS 31 10.327 -4.324 -2.309 188 HZ2 LYS 31 2HZ LYS 31 11.856 -3.763 -1.852 189 HZ3 LYS 31 3HZ LYS 31 11.683 -4.705 -3.246 190 H CYS 32 H CYS 32 6.441 -0.470 -1.850 191 HA CYS 32 HA CYS 32 4.679 -2.375 -2.785 192 HB3 CYS 32 2HB CYS 32 5.069 -0.510 -4.888 193 H VAL 33 H VAL 33 5.096 -4.198 -3.832 194 HA VAL 33 HA VAL 33 7.200 -4.183 -5.899 195 HB VAL 33 HB VAL 33 7.180 -6.734 -5.480 196 HG11 VAL 33 1HG1 VAL 33 9.174 -6.222 -4.651 197 HG12 VAL 33 2HG1 VAL 33 8.625 -4.578 -4.319 198 HG13 VAL 33 3HG1 VAL 33 8.432 -5.837 -3.099 199 HG21 VAL 33 1HG2 VAL 33 6.510 -6.219 -2.674 200 HG22 VAL 33 2HG2 VAL 33 5.139 -6.120 -3.780 201 HG23 VAL 33 3HG2 VAL 33 6.106 -7.593 -3.704 202 H SER 34 H SER 34 6.665 -4.777 -7.914 203 HA SER 34 HA SER 34 4.041 -4.852 -8.793 204 HB3 SER 34 2HB SER 34 6.588 -5.887 -10.039 205 HG SER 34 HG SER 34 5.313 -6.935 -11.347 Start of MODEL 12 1 H1 SER 1 H SER 1 -1.365 16.685 -20.422 2 HA SER 1 HA SER 1 -2.972 17.135 -18.369 3 HB3 SER 1 2HB SER 1 -4.708 15.388 -18.284 4 HG SER 1 HG SER 1 -5.099 16.606 -20.775 5 H GLN 2 H GLN 2 -1.620 16.480 -16.844 6 HA GLN 2 HA GLN 2 -0.658 13.702 -16.915 7 HB3 GLN 2 2HB GLN 2 1.139 15.232 -17.668 8 HG3 GLN 2 2HG GLN 2 1.755 16.292 -15.046 9 HE21 GLN 2 1HE2 GLN 2 1.074 18.985 -16.003 10 HE22 GLN 2 2HE2 GLN 2 2.226 19.348 -17.238 11 H GLU 3 H GLU 3 -0.474 12.675 -14.945 12 HA GLU 3 HA GLU 3 -1.407 14.196 -12.601 13 HB3 GLU 3 2HB GLU 3 -3.233 12.815 -13.219 14 HG3 GLU 3 2HG GLU 3 -1.189 10.925 -14.032 15 H GLN 4 H GLN 4 -0.760 13.265 -10.514 16 HA GLN 4 HA GLN 4 1.260 11.288 -10.332 17 HB3 GLN 4 2HB GLN 4 2.673 12.980 -11.339 18 HG3 GLN 4 2HG GLN 4 1.722 14.757 -9.109 19 HE21 GLN 4 1HE2 GLN 4 3.928 14.689 -11.893 20 HE22 GLN 4 2HE2 GLN 4 5.132 15.701 -11.179 21 H ARG 5 H ARG 5 -1.164 11.779 -9.032 22 HA ARG 5 HA ARG 5 -0.396 12.707 -6.358 23 HB3 ARG 5 2HB ARG 5 -3.190 11.916 -7.072 24 HG3 ARG 5 2HG ARG 5 -2.182 14.258 -5.478 25 HD3 ARG 5 2HD ARG 5 -4.577 14.097 -6.508 26 HE ARG 5 HE ARG 5 -4.683 11.867 -4.783 27 HH11 ARG 5 1HH1 ARG 5 -6.530 14.657 -5.741 28 HH12 ARG 5 2HH1 ARG 5 -8.061 13.926 -5.395 29 HH21 ARG 5 1HH2 ARG 5 -6.693 10.892 -4.322 30 HH22 ARG 5 2HH2 ARG 5 -8.153 11.784 -4.586 31 H GLN 6 H GLN 6 0.655 10.248 -7.208 32 HA GLN 6 HA GLN 6 -0.946 8.097 -6.180 33 HB3 GLN 6 2HB GLN 6 1.474 6.975 -6.347 34 HG3 GLN 6 2HG GLN 6 -0.730 7.011 -7.982 35 HE21 GLN 6 1HE2 GLN 6 -1.194 7.237 -10.120 36 HE22 GLN 6 2HE2 GLN 6 -0.181 8.080 -11.237 37 H CYS 7 H CYS 7 -0.238 6.691 -4.413 38 HA CYS 7 HA CYS 7 0.636 8.292 -2.140 39 HB3 CYS 7 2HB CYS 7 -0.332 6.653 -0.758 40 H LYS 8 H LYS 8 1.418 5.128 -3.581 41 HA LYS 8 HA LYS 8 4.225 5.530 -3.128 42 HB3 LYS 8 2HB LYS 8 4.230 3.216 -1.831 43 HG3 LYS 8 2HG LYS 8 4.636 5.821 -1.047 44 HD3 LYS 8 2HD LYS 8 2.175 5.071 0.065 45 HE3 LYS 8 2HE LYS 8 3.755 3.742 1.640 46 HZ1 LYS 8 1HZ LYS 8 3.953 6.264 3.114 47 HZ2 LYS 8 2HZ LYS 8 5.107 5.954 1.916 48 HZ3 LYS 8 3HZ LYS 8 4.921 4.880 3.209 49 H LYS 9 H LYS 9 4.776 5.021 -5.165 50 HA LYS 9 HA LYS 9 3.563 2.802 -6.556 51 HB3 LYS 9 2HB LYS 9 4.970 3.461 -8.429 52 HG3 LYS 9 2HG LYS 9 4.441 6.188 -7.675 53 HD3 LYS 9 2HD LYS 9 2.525 5.582 -9.434 54 HE3 LYS 9 2HE LYS 9 5.331 5.561 -10.461 55 HZ1 LYS 9 1HZ LYS 9 4.453 7.016 -12.084 56 HZ2 LYS 9 2HZ LYS 9 3.019 7.255 -11.218 57 HZ3 LYS 9 3HZ LYS 9 3.336 5.755 -11.933 58 H ILE 10 H ILE 10 5.497 1.611 -7.968 59 HA ILE 10 HA ILE 10 6.566 -0.280 -6.194 60 HB ILE 10 HB ILE 10 7.493 0.295 -9.010 61 HG13 ILE 10 2HG1 ILE 10 5.899 -1.501 -9.648 62 HG21 ILE 10 1HG2 ILE 10 8.118 -1.785 -7.029 63 HG22 ILE 10 2HG2 ILE 10 7.760 -2.372 -8.651 64 HG23 ILE 10 3HG2 ILE 10 9.059 -1.205 -8.403 65 HD11 ILE 10 1HD1 ILE 10 4.603 -2.639 -8.239 66 HD12 ILE 10 2HD1 ILE 10 5.738 -2.113 -6.995 67 HD13 ILE 10 3HD1 ILE 10 4.248 -1.212 -7.266 68 H GLY 11 H GLY 11 8.253 -0.150 -4.876 69 HA2 GLY 11 2HA GLY 11 10.623 0.146 -4.571 70 HA3 GLY 11 3HA GLY 11 10.553 1.500 -5.688 71 H GLU 12 H GLU 12 7.896 1.720 -3.744 72 HA GLU 12 HA GLU 12 9.147 3.818 -2.160 73 HB3 GLU 12 2HB GLU 12 6.773 4.318 -1.489 74 HG3 GLU 12 2HG GLU 12 6.198 5.443 -3.414 75 H HIS 13 H HIS 13 8.136 4.027 0.149 76 HA HIS 13 HA HIS 13 8.603 1.452 1.482 77 HB3 HIS 13 2HB HIS 13 8.627 4.202 2.736 78 HD1 HIS 13 1HD HIS 13 7.769 3.303 4.989 79 HD2 HIS 13 2HD HIS 13 11.136 1.332 3.561 80 HE1 HIS 13 1HE HIS 13 8.613 1.928 6.919 81 H CYS 14 H CYS 14 7.169 0.608 2.949 82 HA CYS 14 HA CYS 14 4.890 2.019 3.909 83 HB3 CYS 14 2HB CYS 14 3.942 1.758 1.757 84 H TYR 15 H TYR 15 3.808 0.897 5.524 85 HA TYR 15 HA TYR 15 5.229 -1.425 6.539 86 HB3 TYR 15 2HB TYR 15 3.892 -1.084 8.575 87 HD1 TYR 15 1HD TYR 15 6.353 -0.706 8.983 88 HD2 TYR 15 2HD TYR 15 3.754 2.396 7.671 89 HE1 TYR 15 1HE TYR 15 7.994 0.972 9.719 90 HE2 TYR 15 2HE TYR 15 5.387 4.083 8.402 91 HH TYR 15 HH TYR 15 7.831 3.500 10.466 92 H VAL 16 H VAL 16 2.101 -0.587 5.207 93 HA VAL 16 HA VAL 16 1.435 -3.448 5.121 94 HB VAL 16 HB VAL 16 -0.985 -2.792 5.470 95 HG11 VAL 16 1HG1 VAL 16 1.000 -2.464 7.714 96 HG12 VAL 16 2HG1 VAL 16 -0.738 -2.652 7.951 97 HG13 VAL 16 3HG1 VAL 16 0.196 -3.947 7.202 98 HG21 VAL 16 1HG2 VAL 16 -1.603 -0.690 5.923 99 HG22 VAL 16 2HG2 VAL 16 -0.251 -0.432 7.026 100 HG23 VAL 16 3HG2 VAL 16 -0.023 -0.229 5.288 101 H ALA 17 H ALA 17 -0.608 -3.712 3.639 102 HA ALA 17 HA ALA 17 0.151 -2.815 1.054 103 HB1 ALA 17 1HB ALA 17 -2.164 -4.378 2.129 104 HB2 ALA 17 2HB ALA 17 -2.143 -3.845 0.447 105 HB3 ALA 17 3HB ALA 17 -0.866 -4.899 1.054 106 H ASP 18 H ASP 18 -2.479 -1.931 3.258 107 HA ASP 18 HA ASP 18 -3.912 -0.232 1.597 108 HB3 ASP 18 2HB ASP 18 -4.589 0.927 3.741 109 H GLU 19 H GLU 19 -0.938 0.329 3.363 110 HA GLU 19 HA GLU 19 -0.844 3.128 3.162 111 HB3 GLU 19 2HB GLU 19 1.801 2.278 3.025 112 HG3 GLU 19 2HG GLU 19 0.873 3.887 4.646 113 H CYS 20 H CYS 20 -0.046 0.593 0.894 114 HA CYS 20 HA CYS 20 1.144 2.476 -0.982 115 HB3 CYS 20 2HB CYS 20 0.773 -0.079 -2.173 116 H CYS 21 H CYS 21 0.069 3.428 -2.582 117 HA CYS 21 HA CYS 21 -2.713 3.276 -2.841 118 HB3 CYS 21 2HB CYS 21 -1.639 4.190 -5.305 119 H SER 22 H SER 22 -0.160 1.463 -4.360 120 HA SER 22 HA SER 22 -1.887 0.337 -6.388 121 HB3 SER 22 2HB SER 22 0.948 -0.370 -5.594 122 HG SER 22 HG SER 22 0.454 -1.007 -8.085 123 H LYS 23 H LYS 23 -1.109 -0.312 -3.146 124 HA LYS 23 HA LYS 23 -1.725 -1.959 -1.704 125 HB3 LYS 23 2HB LYS 23 -3.626 -3.342 -2.242 126 HG3 LYS 23 2HG LYS 23 -4.868 -1.365 -3.759 127 HD3 LYS 23 2HD LYS 23 -4.586 -1.426 -0.758 128 HE3 LYS 23 2HE LYS 23 -7.198 -0.925 -1.940 129 HZ1 LYS 23 1HZ LYS 23 -5.617 0.853 -0.182 130 HZ2 LYS 23 2HZ LYS 23 -6.400 -0.523 0.413 131 HZ3 LYS 23 3HZ LYS 23 -7.299 0.720 -0.300 132 H ARG 24 H ARG 24 0.669 -2.327 -2.949 133 HA ARG 24 HA ARG 24 0.750 -5.250 -3.273 134 HB3 ARG 24 2HB ARG 24 2.919 -4.386 -4.718 135 HG3 ARG 24 2HG ARG 24 1.661 -4.932 -6.738 136 HD3 ARG 24 2HD ARG 24 0.694 -6.862 -4.674 137 HE ARG 24 HE ARG 24 2.198 -7.772 -6.945 138 HH11 ARG 24 1HH1 ARG 24 -0.947 -6.825 -5.791 139 HH12 ARG 24 2HH1 ARG 24 -1.804 -7.727 -6.997 140 HH21 ARG 24 1HH2 ARG 24 1.081 -8.963 -8.536 141 HH22 ARG 24 2HH2 ARG 24 -0.650 -8.944 -8.558 142 H CYS 25 H CYS 25 1.161 -3.636 -0.907 143 HA CYS 25 HA CYS 25 4.032 -3.633 -0.462 144 HB3 CYS 25 2HB CYS 25 1.995 -3.122 1.681 145 H LEU 26 H LEU 26 5.074 -4.855 1.163 146 HA LEU 26 HA LEU 26 3.580 -7.179 2.166 147 HB3 LEU 26 2HB LEU 26 6.387 -7.332 1.090 148 HG LEU 26 HG LEU 26 5.480 -9.161 2.690 149 HD11 LEU 26 1HD1 LEU 26 4.022 -10.752 1.849 150 HD12 LEU 26 2HD1 LEU 26 4.249 -10.227 0.181 151 HD13 LEU 26 3HD1 LEU 26 3.309 -9.236 1.295 152 HD21 LEU 26 1HD2 LEU 26 6.978 -10.613 1.768 153 HD22 LEU 26 2HD2 LEU 26 7.448 -9.139 0.922 154 HD23 LEU 26 3HD2 LEU 26 6.416 -10.325 0.121 155 H PHE 27 H PHE 27 4.373 -8.094 4.104 156 HA PHE 27 HA PHE 27 5.419 -6.214 5.943 157 HB3 PHE 27 2HB PHE 27 5.627 -8.370 7.401 158 HD1 PHE 27 1HD PHE 27 4.285 -7.818 9.165 159 HD2 PHE 27 2HD PHE 27 2.711 -7.536 5.221 160 HE1 PHE 27 1HE PHE 27 2.139 -7.038 10.082 161 HE2 PHE 27 2HE PHE 27 0.563 -6.754 6.131 162 HZ PHE 27 HZ PHE 27 0.274 -6.504 8.564 163 H TYR 28 H TYR 28 6.861 -8.708 3.984 164 HA TYR 28 HA TYR 28 9.396 -8.588 5.386 165 HB3 TYR 28 2HB TYR 28 10.139 -10.193 3.618 166 HD1 TYR 28 1HD TYR 28 10.436 -11.289 5.803 167 HD2 TYR 28 2HD TYR 28 6.650 -11.196 3.864 168 HE1 TYR 28 1HE TYR 28 9.640 -13.083 7.286 169 HE2 TYR 28 2HE TYR 28 5.843 -12.988 5.343 170 HH TYR 28 HH TYR 28 7.197 -13.822 8.132 171 H ALA 29 H ALA 29 8.188 -7.803 2.130 172 HA ALA 29 HA ALA 29 10.609 -6.618 1.246 173 HB1 ALA 29 1HB ALA 29 8.463 -7.479 -0.053 174 HB2 ALA 29 2HB ALA 29 8.030 -5.771 0.046 175 HB3 ALA 29 3HB ALA 29 9.538 -6.254 -0.730 176 H ALA 30 H ALA 30 7.650 -5.315 2.677 177 HA ALA 30 HA ALA 30 7.178 -3.309 3.644 178 HB1 ALA 30 1HB ALA 30 9.807 -2.177 3.865 179 HB2 ALA 30 2HB ALA 30 8.727 -2.755 5.134 180 HB3 ALA 30 3HB ALA 30 9.831 -3.876 4.336 181 H LYS 31 H LYS 31 8.099 -3.646 0.644 182 HA LYS 31 HA LYS 31 7.745 -0.809 0.027 183 HB3 LYS 31 2HB LYS 31 10.050 -2.527 -0.818 184 HG3 LYS 31 2HG LYS 31 10.454 -0.419 -2.391 185 HD3 LYS 31 2HD LYS 31 9.374 -1.840 -4.253 186 HE3 LYS 31 2HE LYS 31 11.373 -3.209 -2.459 187 HZ1 LYS 31 1HZ LYS 31 12.238 -3.689 -4.860 188 HZ2 LYS 31 2HZ LYS 31 10.616 -3.456 -5.281 189 HZ3 LYS 31 3HZ LYS 31 11.037 -4.661 -4.169 190 H CYS 32 H CYS 32 6.548 -0.414 -1.783 191 HA CYS 32 HA CYS 32 4.767 -2.301 -2.722 192 HB3 CYS 32 2HB CYS 32 5.185 -0.444 -4.827 193 H VAL 33 H VAL 33 5.167 -4.130 -3.766 194 HA VAL 33 HA VAL 33 7.277 -4.142 -5.825 195 HB VAL 33 HB VAL 33 7.227 -6.691 -5.401 196 HG11 VAL 33 1HG1 VAL 33 8.483 -5.809 -3.020 197 HG12 VAL 33 2HG1 VAL 33 9.225 -6.195 -4.574 198 HG13 VAL 33 3HG1 VAL 33 8.690 -4.549 -4.236 199 HG21 VAL 33 1HG2 VAL 33 6.555 -6.164 -2.598 200 HG22 VAL 33 2HG2 VAL 33 5.188 -6.051 -3.708 201 HG23 VAL 33 3HG2 VAL 33 6.138 -7.535 -3.627 202 H SER 34 H SER 34 6.742 -4.735 -7.842 203 HA SER 34 HA SER 34 4.118 -4.784 -8.725 204 HB3 SER 34 2HB SER 34 6.478 -6.107 -10.083 205 HG SER 34 HG SER 34 3.997 -5.110 -11.013 Start of MODEL 13 1 H1 SER 1 H SER 1 -14.473 12.081 -5.722 2 HA SER 1 HA SER 1 -14.862 13.927 -7.231 3 HB3 SER 1 2HB SER 1 -15.108 15.840 -6.027 4 HG SER 1 HG SER 1 -14.385 16.026 -4.043 5 H GLN 2 H GLN 2 -13.544 12.389 -8.355 6 HA GLN 2 HA GLN 2 -11.711 11.728 -9.530 7 HB3 GLN 2 2HB GLN 2 -10.007 13.990 -9.361 8 HG3 GLN 2 2HG GLN 2 -11.264 12.482 -11.352 9 HE21 GLN 2 1HE2 GLN 2 -12.676 12.824 -12.930 10 HE22 GLN 2 2HE2 GLN 2 -13.474 14.320 -13.255 11 H GLU 3 H GLU 3 -9.105 11.893 -9.409 12 HA GLU 3 HA GLU 3 -8.035 11.998 -6.757 13 HB3 GLU 3 2HB GLU 3 -9.182 9.856 -6.586 14 HG3 GLU 3 2HG GLU 3 -7.566 8.261 -8.313 15 H GLN 4 H GLN 4 -5.955 12.528 -6.907 16 HA GLN 4 HA GLN 4 -4.409 11.631 -9.231 17 HB3 GLN 4 2HB GLN 4 -3.418 14.151 -8.845 18 HG3 GLN 4 2HG GLN 4 -4.332 12.877 -10.965 19 HE21 GLN 4 1HE2 GLN 4 -5.986 15.946 -10.465 20 HE22 GLN 4 2HE2 GLN 4 -7.546 15.394 -10.962 21 H ARG 5 H ARG 5 -2.020 12.182 -8.913 22 HA ARG 5 HA ARG 5 -0.097 11.908 -7.729 23 HB3 ARG 5 2HB ARG 5 -1.546 12.750 -5.235 24 HG3 ARG 5 2HG ARG 5 1.216 13.314 -6.290 25 HD3 ARG 5 2HD ARG 5 1.386 14.175 -3.820 26 HE ARG 5 HE ARG 5 0.090 16.185 -5.417 27 HH11 ARG 5 1HH1 ARG 5 2.995 14.323 -4.951 28 HH12 ARG 5 2HH1 ARG 5 4.016 15.475 -5.745 29 HH21 ARG 5 1HH2 ARG 5 1.424 17.709 -6.465 30 HH22 ARG 5 2HH2 ARG 5 3.122 17.402 -6.605 31 H GLN 6 H GLN 6 0.350 9.788 -7.662 32 HA GLN 6 HA GLN 6 -1.196 7.828 -6.371 33 HB3 GLN 6 2HB GLN 6 1.145 6.572 -6.516 34 HG3 GLN 6 2HG GLN 6 -1.041 6.710 -8.172 35 HE21 GLN 6 1HE2 GLN 6 -1.346 8.246 -9.680 36 HE22 GLN 6 2HE2 GLN 6 -0.325 8.488 -11.052 37 H CYS 7 H CYS 7 -0.426 6.412 -4.588 38 HA CYS 7 HA CYS 7 0.446 8.073 -2.357 39 HB3 CYS 7 2HB CYS 7 -0.489 6.453 -0.932 40 H LYS 8 H LYS 8 1.258 4.888 -3.737 41 HA LYS 8 HA LYS 8 4.064 5.339 -3.321 42 HB3 LYS 8 2HB LYS 8 4.111 3.053 -1.976 43 HG3 LYS 8 2HG LYS 8 4.489 5.680 -1.251 44 HD3 LYS 8 2HD LYS 8 2.049 4.932 -0.104 45 HE3 LYS 8 2HE LYS 8 3.658 3.635 1.476 46 HZ1 LYS 8 1HZ LYS 8 4.298 5.121 3.371 47 HZ2 LYS 8 2HZ LYS 8 4.053 6.441 2.342 48 HZ3 LYS 8 3HZ LYS 8 5.239 5.292 1.975 49 H LYS 9 H LYS 9 4.607 4.791 -5.349 50 HA LYS 9 HA LYS 9 3.407 2.531 -6.685 51 HB3 LYS 9 2HB LYS 9 4.791 3.165 -8.582 52 HG3 LYS 9 2HG LYS 9 3.094 5.087 -7.241 53 HD3 LYS 9 2HD LYS 9 4.124 6.726 -9.208 54 HE3 LYS 9 2HE LYS 9 5.167 7.116 -6.470 55 HZ1 LYS 9 1HZ LYS 9 4.869 8.777 -8.444 56 HZ2 LYS 9 2HZ LYS 9 4.610 9.280 -6.850 57 HZ3 LYS 9 3HZ LYS 9 3.293 8.903 -7.842 58 H ILE 10 H ILE 10 5.398 1.376 -8.100 59 HA ILE 10 HA ILE 10 6.477 -0.486 -6.288 60 HB ILE 10 HB ILE 10 7.381 0.046 -9.120 61 HG13 ILE 10 2HG1 ILE 10 5.811 -1.789 -9.709 62 HG21 ILE 10 1HG2 ILE 10 8.051 -1.985 -7.102 63 HG22 ILE 10 2HG2 ILE 10 7.691 -2.609 -8.712 64 HG23 ILE 10 3HG2 ILE 10 8.973 -1.417 -8.494 65 HD11 ILE 10 1HD1 ILE 10 5.674 -2.346 -7.045 66 HD12 ILE 10 2HD1 ILE 10 4.169 -1.468 -7.325 67 HD13 ILE 10 3HD1 ILE 10 4.537 -2.911 -8.269 68 H GLY 11 H GLY 11 8.176 -0.322 -4.988 69 HA2 GLY 11 2HA GLY 11 10.541 0.012 -4.699 70 HA3 GLY 11 3HA GLY 11 10.449 1.344 -5.841 71 H GLU 12 H GLU 12 7.801 1.561 -3.880 72 HA GLU 12 HA GLU 12 9.029 3.711 -2.350 73 HB3 GLU 12 2HB GLU 12 6.662 4.197 -1.671 74 HG3 GLU 12 2HG GLU 12 6.034 5.242 -3.625 75 H HIS 13 H HIS 13 7.990 3.942 -0.038 76 HA HIS 13 HA HIS 13 8.528 1.404 1.342 77 HB3 HIS 13 2HB HIS 13 8.531 4.178 2.539 78 HD1 HIS 13 1HD HIS 13 7.695 3.308 4.815 79 HD2 HIS 13 2HD HIS 13 11.086 1.365 3.406 80 HE1 HIS 13 1HE HIS 13 8.573 1.987 6.767 81 H CYS 14 H CYS 14 7.117 0.565 2.831 82 HA CYS 14 HA CYS 14 4.832 1.966 3.793 83 HB3 CYS 14 2HB CYS 14 3.864 1.657 1.656 84 H TYR 15 H TYR 15 3.777 0.858 5.435 85 HA TYR 15 HA TYR 15 5.237 -1.426 6.480 86 HB3 TYR 15 2HB TYR 15 3.802 -1.081 8.496 87 HD1 TYR 15 1HD TYR 15 3.895 2.407 7.787 88 HD2 TYR 15 2HD TYR 15 6.352 -0.908 8.826 89 HE1 TYR 15 1HE TYR 15 5.630 3.953 8.595 90 HE2 TYR 15 2HE TYR 15 8.093 0.629 9.639 91 HH TYR 15 HH TYR 15 7.598 3.752 10.359 92 H VAL 16 H VAL 16 2.092 -0.659 5.151 93 HA VAL 16 HA VAL 16 1.466 -3.529 5.120 94 HB VAL 16 HB VAL 16 -0.962 -2.899 5.471 95 HG11 VAL 16 1HG1 VAL 16 1.158 -2.776 7.566 96 HG12 VAL 16 2HG1 VAL 16 -0.522 -2.480 8.019 97 HG13 VAL 16 3HG1 VAL 16 -0.065 -4.012 7.272 98 HG21 VAL 16 1HG2 VAL 16 -0.297 -0.390 5.098 99 HG22 VAL 16 2HG2 VAL 16 -1.593 -0.817 6.214 100 HG23 VAL 16 3HG2 VAL 16 0.012 -0.432 6.834 101 H ALA 17 H ALA 17 -0.585 -3.847 3.658 102 HA ALA 17 HA ALA 17 0.144 -2.988 1.053 103 HB1 ALA 17 1HB ALA 17 -0.843 -5.085 1.103 104 HB2 ALA 17 2HB ALA 17 -2.147 -4.558 2.168 105 HB3 ALA 17 3HB ALA 17 -2.134 -4.060 0.476 106 H ASP 18 H ASP 18 -2.479 -2.097 3.261 107 HA ASP 18 HA ASP 18 -3.947 -0.447 1.580 108 HB3 ASP 18 2HB ASP 18 -3.536 0.292 4.457 109 H GLU 19 H GLU 19 -0.967 0.185 3.312 110 HA GLU 19 HA GLU 19 -0.911 2.980 3.059 111 HB3 GLU 19 2HB GLU 19 1.744 1.978 2.869 112 HG3 GLU 19 2HG GLU 19 1.013 3.915 4.216 113 H CYS 20 H CYS 20 -0.100 0.414 0.830 114 HA CYS 20 HA CYS 20 1.049 2.280 -1.090 115 HB3 CYS 20 2HB CYS 20 0.707 -0.302 -2.231 116 H CYS 21 H CYS 21 -0.054 3.186 -2.697 117 HA CYS 21 HA CYS 21 -2.835 2.987 -2.930 118 HB3 CYS 21 2HB CYS 21 -1.797 3.870 -5.419 119 H SER 22 H SER 22 -0.266 1.186 -4.439 120 HA SER 22 HA SER 22 -1.992 -0.004 -6.431 121 HB3 SER 22 2HB SER 22 0.860 -0.656 -5.646 122 HG SER 22 HG SER 22 0.682 -1.505 -7.943 123 H LYS 23 H LYS 23 -1.181 -0.580 -3.182 124 HA LYS 23 HA LYS 23 -1.764 -2.209 -1.705 125 HB3 LYS 23 2HB LYS 23 -3.648 -3.630 -2.204 126 HG3 LYS 23 2HG LYS 23 -4.929 -1.700 -3.751 127 HD3 LYS 23 2HD LYS 23 -4.626 -1.699 -0.751 128 HE3 LYS 23 2HE LYS 23 -6.065 -0.034 -2.406 129 HZ1 LYS 23 1HZ LYS 23 -7.568 -1.934 -2.881 130 HZ2 LYS 23 2HZ LYS 23 -8.342 -0.614 -2.161 131 HZ3 LYS 23 3HZ LYS 23 -7.972 -1.983 -1.239 132 H ARG 24 H ARG 24 0.626 -2.565 -2.967 133 HA ARG 24 HA ARG 24 0.748 -5.492 -3.235 134 HB3 ARG 24 2HB ARG 24 2.893 -4.624 -4.712 135 HG3 ARG 24 2HG ARG 24 1.629 -5.226 -6.712 136 HD3 ARG 24 2HD ARG 24 0.644 -7.165 -4.690 137 HE ARG 24 HE ARG 24 2.378 -8.122 -6.720 138 HH11 ARG 24 1HH1 ARG 24 -0.837 -6.895 -6.188 139 HH12 ARG 24 2HH1 ARG 24 -1.521 -7.733 -7.540 140 HH21 ARG 24 1HH2 ARG 24 1.487 -9.231 -8.503 141 HH22 ARG 24 2HH2 ARG 24 -0.199 -9.062 -8.856 142 H CYS 25 H CYS 25 1.153 -3.830 -0.903 143 HA CYS 25 HA CYS 25 4.027 -3.776 -0.479 144 HB3 CYS 25 2HB CYS 25 1.998 -3.254 1.669 145 H LEU 26 H LEU 26 5.097 -4.949 1.164 146 HA LEU 26 HA LEU 26 3.645 -7.275 2.219 147 HB3 LEU 26 2HB LEU 26 6.448 -7.406 1.129 148 HG LEU 26 HG LEU 26 5.582 -9.218 2.769 149 HD11 LEU 26 1HD1 LEU 26 4.141 -10.846 1.971 150 HD12 LEU 26 2HD1 LEU 26 4.346 -10.351 0.291 151 HD13 LEU 26 3HD1 LEU 26 3.400 -9.353 1.395 152 HD21 LEU 26 1HD2 LEU 26 7.097 -10.663 1.866 153 HD22 LEU 26 2HD2 LEU 26 7.534 -9.200 0.981 154 HD23 LEU 26 3HD2 LEU 26 6.514 -10.421 0.218 155 H PHE 27 H PHE 27 4.463 -8.141 4.169 156 HA PHE 27 HA PHE 27 5.491 -6.212 5.967 157 HB3 PHE 27 2HB PHE 27 5.741 -8.337 7.464 158 HD1 PHE 27 1HD PHE 27 4.403 -7.770 9.226 159 HD2 PHE 27 2HD PHE 27 2.798 -7.588 5.288 160 HE1 PHE 27 1HE PHE 27 2.251 -7.005 10.142 161 HE2 PHE 27 2HE PHE 27 0.644 -6.823 6.198 162 HZ PHE 27 HZ PHE 27 0.369 -6.529 8.628 163 H TYR 28 H TYR 28 6.959 -8.724 4.049 164 HA TYR 28 HA TYR 28 9.501 -8.534 5.432 165 HB3 TYR 28 2HB TYR 28 10.258 -10.168 3.698 166 HD1 TYR 28 1HD TYR 28 6.785 -11.216 3.976 167 HD2 TYR 28 2HD TYR 28 10.574 -11.209 5.910 168 HE1 TYR 28 1HE TYR 28 6.006 -12.987 5.494 169 HE2 TYR 28 2HE TYR 28 9.806 -12.981 7.433 170 HH TYR 28 HH TYR 28 7.397 -14.918 6.935 171 H ALA 29 H ALA 29 8.259 -7.838 2.170 172 HA ALA 29 HA ALA 29 10.654 -6.638 1.239 173 HB1 ALA 29 1HB ALA 29 9.601 -6.589 -0.727 174 HB2 ALA 29 2HB ALA 29 8.294 -7.451 0.085 175 HB3 ALA 29 3HB ALA 29 8.231 -5.695 -0.068 176 H ALA 30 H ALA 30 7.690 -5.345 2.669 177 HA ALA 30 HA ALA 30 7.196 -3.326 3.596 178 HB1 ALA 30 1HB ALA 30 8.746 -2.713 5.062 179 HB2 ALA 30 2HB ALA 30 9.854 -3.848 4.291 180 HB3 ALA 30 3HB ALA 30 9.818 -2.162 3.775 181 H LYS 31 H LYS 31 8.103 -3.712 0.597 182 HA LYS 31 HA LYS 31 7.714 -0.892 -0.075 183 HB3 LYS 31 2HB LYS 31 10.032 -2.603 -0.902 184 HG3 LYS 31 2HG LYS 31 10.400 -0.522 -2.520 185 HD3 LYS 31 2HD LYS 31 9.317 -1.995 -4.342 186 HE3 LYS 31 2HE LYS 31 11.138 -3.812 -3.027 187 HZ1 LYS 31 1HZ LYS 31 10.711 -3.142 -5.515 188 HZ2 LYS 31 2HZ LYS 31 12.226 -3.694 -5.002 189 HZ3 LYS 31 3HZ LYS 31 11.953 -2.035 -5.204 190 H CYS 32 H CYS 32 6.494 -0.548 -1.878 191 HA CYS 32 HA CYS 32 4.731 -2.476 -2.767 192 HB3 CYS 32 2HB CYS 32 5.107 -0.651 -4.909 193 H VAL 33 H VAL 33 5.150 -4.319 -3.778 194 HA VAL 33 HA VAL 33 7.242 -4.340 -5.856 195 HB VAL 33 HB VAL 33 7.229 -6.882 -5.387 196 HG11 VAL 33 1HG1 VAL 33 8.490 -5.938 -3.030 197 HG12 VAL 33 2HG1 VAL 33 9.227 -6.346 -4.580 198 HG13 VAL 33 3HG1 VAL 33 8.672 -4.700 -4.271 199 HG21 VAL 33 1HG2 VAL 33 6.165 -7.709 -3.594 200 HG22 VAL 33 2HG2 VAL 33 6.569 -6.318 -2.588 201 HG23 VAL 33 3HG2 VAL 33 5.195 -6.238 -3.690 202 H SER 34 H SER 34 6.698 -4.975 -7.857 203 HA SER 34 HA SER 34 4.069 -5.074 -8.720 204 HB3 SER 34 2HB SER 34 6.456 -6.372 -10.058 205 HG SER 34 HG SER 34 5.103 -5.635 -11.938 Start of MODEL 14 1 H1 SER 1 H SER 1 3.183 11.981 -14.788 2 HA SER 1 HA SER 1 5.253 13.104 -15.191 3 HB3 SER 1 2HB SER 1 4.167 14.977 -17.184 4 HG SER 1 HG SER 1 6.171 14.501 -18.138 5 H GLN 2 H GLN 2 2.348 15.068 -15.861 6 HA GLN 2 HA GLN 2 3.223 17.106 -14.014 7 HB3 GLN 2 2HB GLN 2 0.582 17.659 -14.690 8 HG3 GLN 2 2HG GLN 2 2.614 19.163 -14.789 9 HE21 GLN 2 1HE2 GLN 2 1.866 18.685 -18.152 10 HE22 GLN 2 2HE2 GLN 2 3.485 18.390 -18.678 11 H GLU 3 H GLU 3 0.474 14.851 -14.211 12 HA GLU 3 HA GLU 3 -0.624 15.539 -11.702 13 HB3 GLU 3 2HB GLU 3 -1.982 14.419 -13.349 14 HG3 GLU 3 2HG GLU 3 -1.364 11.757 -13.315 15 H GLN 4 H GLN 4 -0.513 14.501 -9.704 16 HA GLN 4 HA GLN 4 1.404 12.354 -9.323 17 HB3 GLN 4 2HB GLN 4 1.743 14.802 -7.623 18 HG3 GLN 4 2HG GLN 4 3.533 12.510 -8.377 19 HE21 GLN 4 1HE2 GLN 4 3.510 15.135 -5.994 20 HE22 GLN 4 2HE2 GLN 4 5.149 15.615 -6.252 21 H ARG 5 H ARG 5 -1.126 11.870 -9.018 22 HA ARG 5 HA ARG 5 -1.877 12.346 -6.227 23 HB3 ARG 5 2HB ARG 5 -3.643 10.887 -8.141 24 HG3 ARG 5 2HG ARG 5 -4.425 13.133 -6.331 25 HD3 ARG 5 2HD ARG 5 -6.393 11.305 -6.238 26 HE ARG 5 HE ARG 5 -6.596 12.959 -8.577 27 HH11 ARG 5 1HH1 ARG 5 -6.620 12.915 -5.096 28 HH12 ARG 5 2HH1 ARG 5 -7.540 14.375 -4.953 29 HH21 ARG 5 1HH2 ARG 5 -7.809 14.882 -8.403 30 HH22 ARG 5 2HH2 ARG 5 -8.217 15.493 -6.836 31 H GLN 6 H GLN 6 0.274 10.597 -6.669 32 HA GLN 6 HA GLN 6 -0.890 7.943 -6.174 33 HB3 GLN 6 2HB GLN 6 0.751 8.110 -8.020 34 HG3 GLN 6 2HG GLN 6 3.009 8.342 -6.131 35 HE21 GLN 6 1HE2 GLN 6 4.881 8.937 -7.195 36 HE22 GLN 6 2HE2 GLN 6 4.999 8.973 -8.918 37 H CYS 7 H CYS 7 -0.295 6.736 -4.373 38 HA CYS 7 HA CYS 7 0.612 8.332 -2.110 39 HB3 CYS 7 2HB CYS 7 -0.352 6.699 -0.717 40 H LYS 8 H LYS 8 1.360 5.162 -3.556 41 HA LYS 8 HA LYS 8 4.174 5.547 -3.132 42 HB3 LYS 8 2HB LYS 8 4.177 3.233 -1.836 43 HG3 LYS 8 2HG LYS 8 4.607 5.835 -1.056 44 HD3 LYS 8 2HD LYS 8 2.152 5.101 0.080 45 HE3 LYS 8 2HE LYS 8 3.738 3.760 1.640 46 HZ1 LYS 8 1HZ LYS 8 4.720 4.982 3.384 47 HZ2 LYS 8 2HZ LYS 8 4.030 6.438 2.874 48 HZ3 LYS 8 3HZ LYS 8 5.252 5.715 1.956 49 H LYS 9 H LYS 9 4.702 5.034 -5.174 50 HA LYS 9 HA LYS 9 3.461 2.823 -6.554 51 HB3 LYS 9 2HB LYS 9 4.852 3.473 -8.442 52 HG3 LYS 9 2HG LYS 9 4.350 6.204 -7.680 53 HD3 LYS 9 2HD LYS 9 2.456 5.720 -9.433 54 HE3 LYS 9 2HE LYS 9 5.418 5.733 -9.928 55 HZ1 LYS 9 1HZ LYS 9 3.556 6.318 -12.106 56 HZ2 LYS 9 2HZ LYS 9 3.884 4.693 -11.771 57 HZ3 LYS 9 3HZ LYS 9 5.146 5.746 -12.170 58 H ILE 10 H ILE 10 5.376 1.622 -7.985 59 HA ILE 10 HA ILE 10 6.451 -0.276 -6.222 60 HB ILE 10 HB ILE 10 7.355 0.293 -9.047 61 HG13 ILE 10 2HG1 ILE 10 5.742 -1.490 -9.672 62 HG21 ILE 10 1HG2 ILE 10 7.982 -1.792 -7.071 63 HG22 ILE 10 2HG2 ILE 10 7.604 -2.376 -8.691 64 HG23 ILE 10 3HG2 ILE 10 8.913 -1.219 -8.455 65 HD11 ILE 10 1HD1 ILE 10 4.111 -1.191 -7.277 66 HD12 ILE 10 2HD1 ILE 10 4.455 -2.621 -8.251 67 HD13 ILE 10 3HD1 ILE 10 5.600 -2.098 -7.015 68 H GLY 11 H GLY 11 8.150 -0.157 -4.920 69 HA2 GLY 11 2HA GLY 11 10.527 0.124 -4.640 70 HA3 GLY 11 3HA GLY 11 10.453 1.480 -5.756 71 H GLU 12 H GLU 12 7.817 1.717 -3.787 72 HA GLU 12 HA GLU 12 9.094 3.807 -2.215 73 HB3 GLU 12 2HB GLU 12 6.732 4.321 -1.520 74 HG3 GLU 12 2HG GLU 12 6.142 5.448 -3.440 75 H HIS 13 H HIS 13 8.104 4.021 0.105 76 HA HIS 13 HA HIS 13 8.572 1.444 1.432 77 HB3 HIS 13 2HB HIS 13 8.624 4.193 2.685 78 HD1 HIS 13 1HD HIS 13 7.781 3.297 4.948 79 HD2 HIS 13 2HD HIS 13 11.125 1.311 3.488 80 HE1 HIS 13 1HE HIS 13 8.636 1.918 6.868 81 H CYS 14 H CYS 14 7.148 0.607 2.913 82 HA CYS 14 HA CYS 14 4.886 2.029 3.898 83 HB3 CYS 14 2HB CYS 14 3.916 1.777 1.753 84 H TYR 15 H TYR 15 3.814 0.914 5.521 85 HA TYR 15 HA TYR 15 5.231 -1.418 6.521 86 HB3 TYR 15 2HB TYR 15 3.931 -1.068 8.572 87 HD1 TYR 15 1HD TYR 15 3.790 2.405 7.586 88 HD2 TYR 15 2HD TYR 15 6.361 -0.670 9.014 89 HE1 TYR 15 1HE TYR 15 5.423 4.105 8.288 90 HE2 TYR 15 2HE TYR 15 8.000 1.022 9.722 91 HH TYR 15 HH TYR 15 7.338 4.488 9.357 92 H VAL 16 H VAL 16 2.093 -0.560 5.223 93 HA VAL 16 HA VAL 16 1.409 -3.416 5.141 94 HB VAL 16 HB VAL 16 -1.001 -2.749 5.515 95 HG11 VAL 16 1HG1 VAL 16 0.981 -2.390 7.760 96 HG12 VAL 16 2HG1 VAL 16 -0.751 -2.647 7.979 97 HG13 VAL 16 3HG1 VAL 16 0.240 -3.900 7.230 98 HG21 VAL 16 1HG2 VAL 16 -0.282 -0.244 5.171 99 HG22 VAL 16 2HG2 VAL 16 -1.600 -0.664 6.265 100 HG23 VAL 16 3HG2 VAL 16 0.004 -0.315 6.910 101 H ALA 17 H ALA 17 -0.648 -3.667 3.678 102 HA ALA 17 HA ALA 17 0.090 -2.775 1.087 103 HB1 ALA 17 1HB ALA 17 -0.936 -4.850 1.088 104 HB2 ALA 17 2HB ALA 17 -2.217 -4.331 2.185 105 HB3 ALA 17 3HB ALA 17 -2.220 -3.788 0.506 106 H ASP 18 H ASP 18 -2.511 -1.875 3.317 107 HA ASP 18 HA ASP 18 -3.951 -0.168 1.671 108 HB3 ASP 18 2HB ASP 18 -4.726 0.920 3.746 109 H GLU 19 H GLU 19 -0.955 0.376 3.408 110 HA GLU 19 HA GLU 19 -0.847 3.174 3.205 111 HB3 GLU 19 2HB GLU 19 1.791 2.186 3.005 112 HG3 GLU 19 2HG GLU 19 0.742 3.984 4.535 113 H CYS 20 H CYS 20 -0.088 0.635 0.929 114 HA CYS 20 HA CYS 20 1.095 2.511 -0.958 115 HB3 CYS 20 2HB CYS 20 0.697 -0.041 -2.147 116 H CYS 21 H CYS 21 0.009 3.469 -2.548 117 HA CYS 21 HA CYS 21 -2.776 3.334 -2.778 118 HB3 CYS 21 2HB CYS 21 -1.726 4.242 -5.252 119 H SER 22 H SER 22 -0.249 1.506 -4.324 120 HA SER 22 HA SER 22 -2.004 0.391 -6.334 121 HB3 SER 22 2HB SER 22 0.816 -0.413 -5.577 122 HG SER 22 HG SER 22 0.367 -1.945 -6.946 123 H LYS 23 H LYS 23 -1.197 -0.262 -3.099 124 HA LYS 23 HA LYS 23 -1.808 -1.907 -1.651 125 HB3 LYS 23 2HB LYS 23 -3.723 -3.279 -2.171 126 HG3 LYS 23 2HG LYS 23 -4.967 -1.293 -3.676 127 HD3 LYS 23 2HD LYS 23 -4.657 -1.359 -0.678 128 HE3 LYS 23 2HE LYS 23 -7.005 -0.569 -2.396 129 HZ1 LYS 23 1HZ LYS 23 -7.948 -0.985 -0.393 130 HZ2 LYS 23 2HZ LYS 23 -7.419 0.591 -0.080 131 HZ3 LYS 23 3HZ LYS 23 -6.521 -0.729 0.480 132 H ARG 24 H ARG 24 0.571 -2.288 -2.920 133 HA ARG 24 HA ARG 24 0.632 -5.213 -3.246 134 HB3 ARG 24 2HB ARG 24 2.791 -4.361 -4.712 135 HG3 ARG 24 2HG ARG 24 1.510 -4.899 -6.720 136 HD3 ARG 24 2HD ARG 24 0.364 -6.947 -5.017 137 HE ARG 24 HE ARG 24 2.710 -7.566 -6.540 138 HH11 ARG 24 1HH1 ARG 24 -0.701 -6.899 -6.720 139 HH12 ARG 24 2HH1 ARG 24 -0.921 -7.753 -8.212 140 HH21 ARG 24 1HH2 ARG 24 2.434 -8.692 -8.504 141 HH22 ARG 24 2HH2 ARG 24 0.862 -8.773 -9.225 142 H CYS 25 H CYS 25 1.077 -3.602 -0.884 143 HA CYS 25 HA CYS 25 3.951 -3.616 -0.467 144 HB3 CYS 25 2HB CYS 25 1.939 -3.092 1.696 145 H LEU 26 H LEU 26 5.002 -4.842 1.148 146 HA LEU 26 HA LEU 26 3.506 -7.158 2.164 147 HB3 LEU 26 2HB LEU 26 6.302 -7.326 1.062 148 HG LEU 26 HG LEU 26 5.402 -9.151 2.672 149 HD11 LEU 26 1HD1 LEU 26 3.926 -10.734 1.845 150 HD12 LEU 26 2HD1 LEU 26 4.137 -10.208 0.175 151 HD13 LEU 26 3HD1 LEU 26 3.214 -9.215 1.301 152 HD21 LEU 26 1HD2 LEU 26 6.882 -10.610 1.735 153 HD22 LEU 26 2HD2 LEU 26 7.351 -9.139 0.882 154 HD23 LEU 26 3HD2 LEU 26 6.303 -10.321 0.094 155 H PHE 27 H PHE 27 4.311 -8.077 4.095 156 HA PHE 27 HA PHE 27 5.386 -6.204 5.925 157 HB3 PHE 27 2HB PHE 27 5.593 -8.356 7.384 158 HD1 PHE 27 1HD PHE 27 2.665 -7.527 5.218 159 HD2 PHE 27 2HD PHE 27 4.262 -7.792 9.154 160 HE1 PHE 27 1HE PHE 27 0.523 -6.740 6.136 161 HE2 PHE 27 2HE PHE 27 2.122 -7.006 10.079 162 HZ PHE 27 HZ PHE 27 0.249 -6.480 8.570 163 H TYR 28 H TYR 28 6.794 -8.705 3.952 164 HA TYR 28 HA TYR 28 9.344 -8.599 5.330 165 HB3 TYR 28 2HB TYR 28 10.061 -10.210 3.557 166 HD1 TYR 28 1HD TYR 28 10.370 -11.306 5.741 167 HD2 TYR 28 2HD TYR 28 6.570 -11.193 3.833 168 HE1 TYR 28 1HE TYR 28 9.576 -13.093 7.233 169 HE2 TYR 28 2HE TYR 28 5.763 -12.980 5.320 170 HH TYR 28 HH TYR 28 6.357 -13.868 7.620 171 H ALA 29 H ALA 29 8.108 -7.808 2.087 172 HA ALA 29 HA ALA 29 10.525 -6.639 1.176 173 HB1 ALA 29 1HB ALA 29 8.649 -7.526 -0.256 174 HB2 ALA 29 2HB ALA 29 7.775 -6.038 0.115 175 HB3 ALA 29 3HB ALA 29 9.314 -5.967 -0.743 176 H ALA 30 H ALA 30 7.591 -5.316 2.639 177 HA ALA 30 HA ALA 30 7.140 -3.308 3.610 178 HB1 ALA 30 1HB ALA 30 9.778 -2.191 3.804 179 HB2 ALA 30 2HB ALA 30 8.708 -2.765 5.084 180 HB3 ALA 30 3HB ALA 30 9.798 -3.892 4.273 181 H LYS 31 H LYS 31 8.029 -3.651 0.600 182 HA LYS 31 HA LYS 31 7.687 -0.812 -0.014 183 HB3 LYS 31 2HB LYS 31 9.974 -2.544 -0.882 184 HG3 LYS 31 2HG LYS 31 10.374 -0.438 -2.459 185 HD3 LYS 31 2HD LYS 31 9.271 -1.853 -4.310 186 HE3 LYS 31 2HE LYS 31 11.655 -2.166 -2.822 187 HZ1 LYS 31 1HZ LYS 31 10.277 -4.433 -2.460 188 HZ2 LYS 31 2HZ LYS 31 11.965 -4.347 -2.510 189 HZ3 LYS 31 3HZ LYS 31 11.099 -4.792 -3.894 190 H CYS 32 H CYS 32 6.475 -0.410 -1.812 191 HA CYS 32 HA CYS 32 4.673 -2.287 -2.733 192 HB3 CYS 32 2HB CYS 32 5.082 -0.432 -4.842 193 H VAL 33 H VAL 33 5.050 -4.116 -3.783 194 HA VAL 33 HA VAL 33 7.141 -4.141 -5.863 195 HB VAL 33 HB VAL 33 7.077 -6.691 -5.439 196 HG11 VAL 33 1HG1 VAL 33 8.568 -4.559 -4.292 197 HG12 VAL 33 2HG1 VAL 33 8.365 -5.818 -3.071 198 HG13 VAL 33 3HG1 VAL 33 9.086 -6.210 -4.631 199 HG21 VAL 33 1HG2 VAL 33 6.003 -7.527 -3.655 200 HG22 VAL 33 2HG2 VAL 33 6.436 -6.160 -2.628 201 HG23 VAL 33 3HG2 VAL 33 5.061 -6.039 -3.726 202 H SER 34 H SER 34 6.583 -4.729 -7.874 203 HA SER 34 HA SER 34 3.950 -4.761 -8.733 204 HB3 SER 34 2HB SER 34 6.350 -6.032 -10.076 205 HG SER 34 HG SER 34 3.950 -5.062 -11.236 Start of MODEL 15 1 H1 SER 1 H SER 1 -5.183 4.997 -18.557 2 HA SER 1 HA SER 1 -5.089 7.576 -19.550 3 HB3 SER 1 2HB SER 1 -7.591 6.768 -18.161 4 HG SER 1 HG SER 1 -7.460 8.502 -19.695 5 H GLN 2 H GLN 2 -6.296 6.607 -16.335 6 HA GLN 2 HA GLN 2 -5.768 9.351 -15.411 7 HB3 GLN 2 2HB GLN 2 -7.342 7.815 -13.558 8 HG3 GLN 2 2HG GLN 2 -7.484 10.382 -14.944 9 HE21 GLN 2 1HE2 GLN 2 -9.987 8.967 -12.932 10 HE22 GLN 2 2HE2 GLN 2 -11.300 9.299 -14.006 11 H GLU 3 H GLU 3 -3.747 9.345 -14.601 12 HA GLU 3 HA GLU 3 -3.187 7.438 -12.435 13 HB3 GLU 3 2HB GLU 3 -1.942 6.679 -14.375 14 HG3 GLU 3 2HG GLU 3 -0.504 9.315 -14.412 15 H GLN 4 H GLN 4 -4.223 9.967 -12.029 16 HA GLN 4 HA GLN 4 -1.958 11.655 -11.269 17 HB3 GLN 4 2HB GLN 4 -3.990 13.201 -10.606 18 HG3 GLN 4 2HG GLN 4 -4.260 13.844 -13.075 19 HE21 GLN 4 1HE2 GLN 4 -3.423 15.792 -13.082 20 HE22 GLN 4 2HE2 GLN 4 -1.900 16.254 -12.410 21 H ARG 5 H ARG 5 -1.622 12.369 -9.159 22 HA ARG 5 HA ARG 5 -1.546 12.225 -6.891 23 HB3 ARG 5 2HB ARG 5 -4.318 11.067 -6.902 24 HG3 ARG 5 2HG ARG 5 -2.922 13.032 -5.099 25 HD3 ARG 5 2HD ARG 5 -5.326 12.062 -3.984 26 HE ARG 5 HE ARG 5 -4.106 14.502 -4.173 27 HH11 ARG 5 1HH1 ARG 5 -7.357 13.320 -4.566 28 HH12 ARG 5 2HH1 ARG 5 -8.095 14.800 -4.051 29 HH21 ARG 5 1HH2 ARG 5 -5.067 16.456 -3.493 30 HH22 ARG 5 2HH2 ARG 5 -6.793 16.583 -3.441 31 H GLN 6 H GLN 6 -0.097 10.703 -6.363 32 HA GLN 6 HA GLN 6 -1.048 7.922 -6.180 33 HB3 GLN 6 2HB GLN 6 0.602 8.267 -8.017 34 HG3 GLN 6 2HG GLN 6 2.874 8.396 -6.180 35 HE21 GLN 6 1HE2 GLN 6 4.542 8.367 -7.487 36 HE22 GLN 6 2HE2 GLN 6 4.611 9.039 -9.078 37 H CYS 7 H CYS 7 -0.469 6.748 -4.374 38 HA CYS 7 HA CYS 7 0.404 8.345 -2.099 39 HB3 CYS 7 2HB CYS 7 -0.539 6.690 -0.720 40 H LYS 8 H LYS 8 1.206 5.195 -3.561 41 HA LYS 8 HA LYS 8 4.013 5.621 -3.124 42 HB3 LYS 8 2HB LYS 8 4.046 3.300 -1.840 43 HG3 LYS 8 2HG LYS 8 4.434 5.904 -1.045 44 HD3 LYS 8 2HD LYS 8 1.987 5.129 0.078 45 HE3 LYS 8 2HE LYS 8 3.589 3.801 1.635 46 HZ1 LYS 8 1HZ LYS 8 5.076 5.764 1.975 47 HZ2 LYS 8 2HZ LYS 8 4.533 5.031 3.400 48 HZ3 LYS 8 3HZ LYS 8 3.837 6.482 2.877 49 H LYS 9 H LYS 9 4.555 5.127 -5.167 50 HA LYS 9 HA LYS 9 3.352 2.906 -6.563 51 HB3 LYS 9 2HB LYS 9 4.744 3.586 -8.441 52 HG3 LYS 9 2HG LYS 9 4.193 6.304 -7.670 53 HD3 LYS 9 2HD LYS 9 2.289 5.735 -9.425 54 HE3 LYS 9 2HE LYS 9 5.038 6.542 -9.590 55 HZ1 LYS 9 1HZ LYS 9 4.388 5.784 -12.247 56 HZ2 LYS 9 2HZ LYS 9 4.523 4.415 -11.262 57 HZ3 LYS 9 3HZ LYS 9 5.811 5.506 -11.376 58 H ILE 10 H ILE 10 5.298 1.746 -7.996 59 HA ILE 10 HA ILE 10 6.391 -0.147 -6.237 60 HB ILE 10 HB ILE 10 7.297 0.451 -9.055 61 HG13 ILE 10 2HG1 ILE 10 5.715 -1.354 -9.696 62 HG21 ILE 10 1HG2 ILE 10 7.590 -2.214 -8.716 63 HG22 ILE 10 2HG2 ILE 10 8.878 -1.037 -8.466 64 HG23 ILE 10 3HG2 ILE 10 7.952 -1.634 -7.091 65 HD11 ILE 10 1HD1 ILE 10 4.436 -2.510 -8.287 66 HD12 ILE 10 2HD1 ILE 10 5.574 -1.982 -7.046 67 HD13 ILE 10 3HD1 ILE 10 4.074 -1.092 -7.303 68 H GLY 11 H GLY 11 8.085 -0.013 -4.930 69 HA2 GLY 11 2HA GLY 11 10.454 0.304 -4.637 70 HA3 GLY 11 3HA GLY 11 10.366 1.665 -5.746 71 H GLU 12 H GLU 12 7.719 1.848 -3.784 72 HA GLU 12 HA GLU 12 8.958 3.950 -2.197 73 HB3 GLU 12 2HB GLU 12 6.586 4.423 -1.508 74 HG3 GLU 12 2HG GLU 12 5.983 5.549 -3.425 75 H HIS 13 H HIS 13 7.952 4.134 0.120 76 HA HIS 13 HA HIS 13 8.456 1.557 1.436 77 HB3 HIS 13 2HB HIS 13 8.464 4.300 2.704 78 HD1 HIS 13 1HD HIS 13 7.626 3.379 4.957 79 HD2 HIS 13 2HD HIS 13 11.004 1.451 3.498 80 HE1 HIS 13 1HE HIS 13 8.495 2.002 6.874 81 H CYS 14 H CYS 14 7.039 0.691 2.905 82 HA CYS 14 HA CYS 14 4.754 2.074 3.890 83 HB3 CYS 14 2HB CYS 14 3.793 1.819 1.742 84 H TYR 15 H TYR 15 3.693 0.933 5.504 85 HA TYR 15 HA TYR 15 5.141 -1.382 6.496 86 HB3 TYR 15 2HB TYR 15 3.587 -1.074 8.489 87 HD1 TYR 15 1HD TYR 15 6.149 -1.203 8.891 88 HD2 TYR 15 2HD TYR 15 4.071 2.408 8.030 89 HE1 TYR 15 1HE TYR 15 8.003 0.088 9.863 90 HE2 TYR 15 2HE TYR 15 5.919 3.710 8.999 91 HH TYR 15 HH TYR 15 7.869 2.986 10.918 92 H VAL 16 H VAL 16 1.998 -0.565 5.187 93 HA VAL 16 HA VAL 16 1.357 -3.432 5.088 94 HB VAL 16 HB VAL 16 -1.068 -2.794 5.452 95 HG11 VAL 16 1HG1 VAL 16 1.035 -2.688 7.576 96 HG12 VAL 16 2HG1 VAL 16 -0.666 -2.483 7.997 97 HG13 VAL 16 3HG1 VAL 16 -0.123 -3.966 7.210 98 HG21 VAL 16 1HG2 VAL 16 -1.679 -0.731 6.282 99 HG22 VAL 16 2HG2 VAL 16 -0.052 -0.359 6.854 100 HG23 VAL 16 3HG2 VAL 16 -0.418 -0.287 5.130 101 H ALA 17 H ALA 17 -0.692 -3.705 3.616 102 HA ALA 17 HA ALA 17 0.043 -2.787 1.033 103 HB1 ALA 17 1HB ALA 17 -0.953 -4.876 1.017 104 HB2 ALA 17 2HB ALA 17 -2.244 -4.383 2.113 105 HB3 ALA 17 3HB ALA 17 -2.250 -3.831 0.439 106 H ASP 18 H ASP 18 -2.580 -1.939 3.258 107 HA ASP 18 HA ASP 18 -4.040 -0.245 1.617 108 HB3 ASP 18 2HB ASP 18 -4.068 0.911 4.192 109 H GLU 19 H GLU 19 -1.060 0.334 3.368 110 HA GLU 19 HA GLU 19 -0.994 3.135 3.182 111 HB3 GLU 19 2HB GLU 19 1.659 2.142 2.976 112 HG3 GLU 19 2HG GLU 19 -0.029 3.273 5.149 113 H CYS 20 H CYS 20 -0.186 0.620 0.894 114 HA CYS 20 HA CYS 20 0.974 2.526 -0.978 115 HB3 CYS 20 2HB CYS 20 0.620 -0.025 -2.182 116 H CYS 21 H CYS 21 -0.121 3.477 -2.565 117 HA CYS 21 HA CYS 21 -2.902 3.300 -2.807 118 HB3 CYS 21 2HB CYS 21 -1.854 4.239 -5.271 119 H SER 22 H SER 22 -0.341 1.522 -4.354 120 HA SER 22 HA SER 22 -2.071 0.392 -6.379 121 HB3 SER 22 2HB SER 22 0.586 -0.817 -5.792 122 HG SER 22 HG SER 22 0.636 -0.478 -8.160 123 H LYS 23 H LYS 23 -1.266 -0.269 -3.144 124 HA LYS 23 HA LYS 23 -1.859 -1.931 -1.709 125 HB3 LYS 23 2HB LYS 23 -3.751 -3.329 -2.245 126 HG3 LYS 23 2HG LYS 23 -5.019 -1.353 -3.743 127 HD3 LYS 23 2HD LYS 23 -4.720 -1.428 -0.744 128 HE3 LYS 23 2HE LYS 23 -6.141 0.292 -2.347 129 HZ1 LYS 23 1HZ LYS 23 -7.735 -2.077 -1.861 130 HZ2 LYS 23 2HZ LYS 23 -7.922 -0.868 -3.027 131 HZ3 LYS 23 3HZ LYS 23 -8.483 -0.615 -1.452 132 H ARG 24 H ARG 24 0.530 -2.269 -2.969 133 HA ARG 24 HA ARG 24 0.638 -5.190 -3.312 134 HB3 ARG 24 2HB ARG 24 2.789 -4.297 -4.766 135 HG3 ARG 24 2HG ARG 24 1.524 -4.844 -6.780 136 HD3 ARG 24 2HD ARG 24 0.589 -6.793 -4.718 137 HE ARG 24 HE ARG 24 1.315 -6.961 -7.492 138 HH11 ARG 24 1HH1 ARG 24 1.006 -8.720 -4.505 139 HH12 ARG 24 2HH1 ARG 24 0.815 -10.258 -5.279 140 HH21 ARG 24 1HH2 ARG 24 1.066 -8.980 -8.523 141 HH22 ARG 24 2HH2 ARG 24 0.850 -10.405 -7.564 142 H CYS 25 H CYS 25 1.048 -3.587 -0.939 143 HA CYS 25 HA CYS 25 3.922 -3.559 -0.512 144 HB3 CYS 25 2HB CYS 25 1.894 -3.079 1.647 145 H LEU 26 H LEU 26 4.985 -4.778 1.100 146 HA LEU 26 HA LEU 26 3.520 -7.123 2.097 147 HB3 LEU 26 2HB LEU 26 6.322 -7.242 1.005 148 HG LEU 26 HG LEU 26 5.445 -9.089 2.601 149 HD11 LEU 26 1HD1 LEU 26 3.997 -10.691 1.759 150 HD12 LEU 26 2HD1 LEU 26 4.206 -10.152 0.093 151 HD13 LEU 26 3HD1 LEU 26 3.264 -9.180 1.222 152 HD21 LEU 26 1HD2 LEU 26 7.400 -9.037 0.819 153 HD22 LEU 26 2HD2 LEU 26 6.375 -10.229 0.019 154 HD23 LEU 26 3HD2 LEU 26 6.951 -10.521 1.661 155 H PHE 27 H PHE 27 4.332 -8.041 4.026 156 HA PHE 27 HA PHE 27 5.370 -6.162 5.871 157 HB3 PHE 27 2HB PHE 27 5.605 -8.318 7.320 158 HD1 PHE 27 1HD PHE 27 4.248 -7.813 9.086 159 HD2 PHE 27 2HD PHE 27 2.682 -7.499 5.140 160 HE1 PHE 27 1HE PHE 27 2.090 -7.067 10.005 161 HE2 PHE 27 2HE PHE 27 0.523 -6.753 6.053 162 HZ PHE 27 HZ PHE 27 0.225 -6.535 8.488 163 H TYR 28 H TYR 28 6.825 -8.632 3.890 164 HA TYR 28 HA TYR 28 9.367 -8.493 5.279 165 HB3 TYR 28 2HB TYR 28 10.116 -10.083 3.500 166 HD1 TYR 28 1HD TYR 28 10.433 -11.188 5.679 167 HD2 TYR 28 2HD TYR 28 6.637 -11.120 3.756 168 HE1 TYR 28 1HE TYR 28 9.659 -12.995 7.156 169 HE2 TYR 28 2HE TYR 28 5.853 -12.928 5.229 170 HH TYR 28 HH TYR 28 7.692 -13.997 7.967 171 H ALA 29 H ALA 29 8.132 -7.703 2.035 172 HA ALA 29 HA ALA 29 10.535 -6.493 1.139 173 HB1 ALA 29 1HB ALA 29 9.487 -6.390 -0.827 174 HB2 ALA 29 2HB ALA 29 8.171 -7.262 -0.039 175 HB3 ALA 29 3HB ALA 29 8.122 -5.503 -0.149 176 H ALA 30 H ALA 30 7.575 -5.224 2.598 177 HA ALA 30 HA ALA 30 7.090 -3.227 3.579 178 HB1 ALA 30 1HB ALA 30 9.712 -2.073 3.789 179 HB2 ALA 30 2HB ALA 30 8.644 -2.667 5.061 180 HB3 ALA 30 3HB ALA 30 9.752 -3.775 4.251 181 H LYS 31 H LYS 31 7.995 -3.539 0.571 182 HA LYS 31 HA LYS 31 7.614 -0.703 -0.029 183 HB3 LYS 31 2HB LYS 31 9.928 -2.396 -0.898 184 HG3 LYS 31 2HG LYS 31 10.305 -0.275 -2.462 185 HD3 LYS 31 2HD LYS 31 9.226 -1.695 -4.324 186 HE3 LYS 31 2HE LYS 31 11.654 -1.787 -3.172 187 HZ1 LYS 31 1HZ LYS 31 10.302 -4.242 -2.419 188 HZ2 LYS 31 2HZ LYS 31 11.641 -3.483 -1.717 189 HZ3 LYS 31 3HZ LYS 31 11.837 -4.437 -3.101 190 H CYS 32 H CYS 32 6.402 -0.309 -1.829 191 HA CYS 32 HA CYS 32 4.632 -2.207 -2.767 192 HB3 CYS 32 2HB CYS 32 5.020 -0.334 -4.864 193 H VAL 33 H VAL 33 5.042 -4.025 -3.825 194 HA VAL 33 HA VAL 33 7.140 -4.006 -5.898 195 HB VAL 33 HB VAL 33 7.113 -6.558 -5.489 196 HG11 VAL 33 1HG1 VAL 33 8.567 -4.412 -4.325 197 HG12 VAL 33 2HG1 VAL 33 8.378 -5.678 -3.111 198 HG13 VAL 33 3HG1 VAL 33 9.112 -6.052 -4.671 199 HG21 VAL 33 1HG2 VAL 33 6.454 -6.053 -2.679 200 HG22 VAL 33 2HG2 VAL 33 5.081 -5.947 -3.780 201 HG23 VAL 33 3HG2 VAL 33 6.045 -7.422 -3.714 202 H SER 34 H SER 34 6.597 -4.590 -7.915 203 HA SER 34 HA SER 34 3.968 -4.658 -8.783 204 HB3 SER 34 2HB SER 34 6.401 -5.869 -10.120 205 HG SER 34 HG SER 34 5.183 -5.626 -12.013 Start of MODEL 16 1 H1 SER 1 H SER 1 -2.925 19.092 -17.021 2 HA SER 1 HA SER 1 -4.137 20.698 -15.641 3 HB3 SER 1 2HB SER 1 -6.529 19.751 -17.239 4 HG SER 1 HG SER 1 -7.477 20.528 -15.521 5 H GLN 2 H GLN 2 -5.505 17.598 -16.714 6 HA GLN 2 HA GLN 2 -6.329 16.888 -14.049 7 HB3 GLN 2 2HB GLN 2 -6.836 14.661 -15.145 8 HG3 GLN 2 2HG GLN 2 -8.080 16.831 -16.772 9 HE21 GLN 2 1HE2 GLN 2 -9.032 14.436 -14.337 10 HE22 GLN 2 2HE2 GLN 2 -10.141 13.588 -15.355 11 H GLU 3 H GLU 3 -4.707 16.567 -12.636 12 HA GLU 3 HA GLU 3 -2.824 14.410 -13.231 13 HB3 GLU 3 2HB GLU 3 -1.559 16.396 -13.755 14 HG3 GLU 3 2HG GLU 3 -2.264 17.382 -11.000 15 H GLN 4 H GLN 4 -2.397 13.108 -11.524 16 HA GLN 4 HA GLN 4 -3.191 13.989 -8.846 17 HB3 GLN 4 2HB GLN 4 -4.207 11.673 -8.513 18 HG3 GLN 4 2HG GLN 4 -5.377 13.971 -9.816 19 HE21 GLN 4 1HE2 GLN 4 -6.192 13.858 -11.798 20 HE22 GLN 4 2HE2 GLN 4 -7.261 12.630 -12.373 21 H ARG 5 H ARG 5 -1.770 13.435 -7.315 22 HA ARG 5 HA ARG 5 0.541 11.856 -8.088 23 HB3 ARG 5 2HB ARG 5 0.187 12.990 -5.346 24 HG3 ARG 5 2HG ARG 5 2.371 12.042 -6.923 25 HD3 ARG 5 2HD ARG 5 3.914 13.956 -6.250 26 HE ARG 5 HE ARG 5 2.549 13.633 -8.620 27 HH11 ARG 5 1HH1 ARG 5 3.918 16.284 -6.827 28 HH12 ARG 5 2HH1 ARG 5 4.266 17.230 -8.238 29 HH21 ARG 5 1HH2 ARG 5 3.000 14.868 -10.484 30 HH22 ARG 5 2HH2 ARG 5 3.742 16.424 -10.316 31 H GLN 6 H GLN 6 0.799 9.777 -7.620 32 HA GLN 6 HA GLN 6 -1.185 8.281 -6.271 33 HB3 GLN 6 2HB GLN 6 0.974 6.611 -6.309 34 HG3 GLN 6 2HG GLN 6 -1.041 5.984 -7.389 35 HE21 GLN 6 1HE2 GLN 6 -2.771 7.217 -7.773 36 HE22 GLN 6 2HE2 GLN 6 -2.948 8.284 -9.119 37 H CYS 7 H CYS 7 -0.379 6.618 -4.521 38 HA CYS 7 HA CYS 7 0.527 8.240 -2.277 39 HB3 CYS 7 2HB CYS 7 -0.433 6.623 -0.866 40 H LYS 8 H LYS 8 1.280 5.057 -3.691 41 HA LYS 8 HA LYS 8 4.094 5.452 -3.276 42 HB3 LYS 8 2HB LYS 8 4.103 3.152 -1.953 43 HG3 LYS 8 2HG LYS 8 4.531 5.765 -1.205 44 HD3 LYS 8 2HD LYS 8 2.081 5.047 -0.057 45 HE3 LYS 8 2HE LYS 8 3.673 3.709 1.506 46 HZ1 LYS 8 1HZ LYS 8 5.067 4.838 2.788 47 HZ2 LYS 8 2HZ LYS 8 3.886 5.969 3.222 48 HZ3 LYS 8 3HZ LYS 8 4.793 6.194 1.812 49 H LYS 9 H LYS 9 4.624 4.913 -5.310 50 HA LYS 9 HA LYS 9 3.381 2.690 -6.666 51 HB3 LYS 9 2HB LYS 9 4.769 3.317 -8.560 52 HG3 LYS 9 2HG LYS 9 3.108 5.252 -7.197 53 HD3 LYS 9 2HD LYS 9 4.178 6.903 -9.134 54 HE3 LYS 9 2HE LYS 9 5.221 7.255 -6.396 55 HZ1 LYS 9 1HZ LYS 9 4.095 9.409 -6.689 56 HZ2 LYS 9 2HZ LYS 9 3.553 8.909 -8.212 57 HZ3 LYS 9 3HZ LYS 9 5.209 9.087 -7.921 58 H ILE 10 H ILE 10 5.349 1.516 -8.097 59 HA ILE 10 HA ILE 10 6.398 -0.385 -6.307 60 HB ILE 10 HB ILE 10 7.306 0.160 -9.135 61 HG13 ILE 10 2HG1 ILE 10 5.703 -1.641 -9.741 62 HG21 ILE 10 1HG2 ILE 10 8.874 -1.334 -8.524 63 HG22 ILE 10 2HG2 ILE 10 7.941 -1.903 -7.141 64 HG23 ILE 10 3HG2 ILE 10 7.573 -2.502 -8.758 65 HD11 ILE 10 1HD1 ILE 10 4.411 -2.754 -8.308 66 HD12 ILE 10 2HD1 ILE 10 5.560 -2.219 -7.081 67 HD13 ILE 10 3HD1 ILE 10 4.071 -1.313 -7.350 68 H GLY 11 H GLY 11 8.103 -0.268 -5.011 69 HA2 GLY 11 2HA GLY 11 10.474 0.022 -4.721 70 HA3 GLY 11 3HA GLY 11 10.404 1.368 -5.850 71 H GLU 12 H GLU 12 7.763 1.613 -3.883 72 HA GLU 12 HA GLU 12 9.031 3.725 -2.334 73 HB3 GLU 12 2HB GLU 12 6.675 4.244 -1.645 74 HG3 GLU 12 2HG GLU 12 6.061 5.322 -3.585 75 H HIS 13 H HIS 13 8.006 3.951 -0.016 76 HA HIS 13 HA HIS 13 8.500 1.389 1.336 77 HB3 HIS 13 2HB HIS 13 8.558 4.152 2.560 78 HD1 HIS 13 1HD HIS 13 7.711 3.274 4.830 79 HD2 HIS 13 2HD HIS 13 11.063 1.284 3.393 80 HE1 HIS 13 1HE HIS 13 8.569 1.918 6.766 81 H CYS 14 H CYS 14 7.075 0.560 2.816 82 HA CYS 14 HA CYS 14 4.820 1.995 3.800 83 HB3 CYS 14 2HB CYS 14 3.840 1.725 1.663 84 H TYR 15 H TYR 15 3.747 0.890 5.434 85 HA TYR 15 HA TYR 15 5.170 -1.428 6.454 86 HB3 TYR 15 2HB TYR 15 3.705 -1.077 8.466 87 HD1 TYR 15 1HD TYR 15 6.247 -1.039 8.852 88 HD2 TYR 15 2HD TYR 15 3.989 2.412 7.808 89 HE1 TYR 15 1HE TYR 15 8.050 0.395 9.716 90 HE2 TYR 15 2HE TYR 15 5.786 3.856 8.667 91 HH TYR 15 HH TYR 15 7.880 3.199 10.656 92 H VAL 16 H VAL 16 2.031 -0.593 5.143 93 HA VAL 16 HA VAL 16 1.358 -3.453 5.083 94 HB VAL 16 HB VAL 16 -1.011 -2.908 5.531 95 HG11 VAL 16 1HG1 VAL 16 0.425 -1.806 7.881 96 HG12 VAL 16 2HG1 VAL 16 -0.774 -3.098 7.788 97 HG13 VAL 16 3HG1 VAL 16 0.897 -3.407 7.312 98 HG21 VAL 16 1HG2 VAL 16 0.119 -0.153 5.825 99 HG22 VAL 16 2HG2 VAL 16 -1.323 -0.683 4.958 100 HG23 VAL 16 3HG2 VAL 16 -1.326 -0.624 6.720 101 H ALA 17 H ALA 17 -0.702 -3.719 3.623 102 HA ALA 17 HA ALA 17 0.037 -2.848 1.025 103 HB1 ALA 17 1HB ALA 17 -2.277 -4.390 2.132 104 HB2 ALA 17 2HB ALA 17 -2.265 -3.872 0.445 105 HB3 ALA 17 3HB ALA 17 -0.989 -4.927 1.053 106 H ASP 18 H ASP 18 -2.564 -1.931 3.247 107 HA ASP 18 HA ASP 18 -4.007 -0.240 1.586 108 HB3 ASP 18 2HB ASP 18 -4.770 0.873 3.658 109 H GLU 19 H GLU 19 -1.012 0.321 3.317 110 HA GLU 19 HA GLU 19 -0.906 3.118 3.092 111 HB3 GLU 19 2HB GLU 19 1.704 2.491 3.047 112 HG3 GLU 19 2HG GLU 19 1.685 2.291 5.480 113 H CYS 20 H CYS 20 -0.146 0.561 0.836 114 HA CYS 20 HA CYS 20 1.030 2.425 -1.068 115 HB3 CYS 20 2HB CYS 20 0.640 -0.139 -2.235 116 H CYS 21 H CYS 21 -0.060 3.367 -2.665 117 HA CYS 21 HA CYS 21 -2.844 3.220 -2.892 118 HB3 CYS 21 2HB CYS 21 -1.797 4.109 -5.375 119 H SER 22 H SER 22 -0.312 1.391 -4.428 120 HA SER 22 HA SER 22 -2.065 0.251 -6.426 121 HB3 SER 22 2HB SER 22 0.710 -0.693 -5.694 122 HG SER 22 HG SER 22 0.532 -0.976 -8.139 123 H LYS 23 H LYS 23 -1.256 -0.372 -3.186 124 HA LYS 23 HA LYS 23 -1.863 -2.006 -1.724 125 HB3 LYS 23 2HB LYS 23 -3.774 -3.387 -2.231 126 HG3 LYS 23 2HG LYS 23 -5.023 -1.419 -3.756 127 HD3 LYS 23 2HD LYS 23 -4.716 -1.454 -0.757 128 HE3 LYS 23 2HE LYS 23 -6.164 0.216 -2.442 129 HZ1 LYS 23 1HZ LYS 23 -8.426 -0.695 -1.226 130 HZ2 LYS 23 2HZ LYS 23 -7.713 -2.108 -1.823 131 HZ3 LYS 23 3HZ LYS 23 -8.063 -0.829 -2.873 132 H ARG 24 H ARG 24 0.517 -2.391 -2.990 133 HA ARG 24 HA ARG 24 0.586 -5.318 -3.291 134 HB3 ARG 24 2HB ARG 24 2.744 -4.474 -4.764 135 HG3 ARG 24 2HG ARG 24 1.465 -5.031 -6.767 136 HD3 ARG 24 2HD ARG 24 0.412 -6.994 -4.821 137 HE ARG 24 HE ARG 24 1.527 -7.088 -7.446 138 HH11 ARG 24 1HH1 ARG 24 1.064 -8.925 -4.524 139 HH12 ARG 24 2HH1 ARG 24 1.129 -10.460 -5.324 140 HH21 ARG 24 1HH2 ARG 24 1.613 -9.104 -8.510 141 HH22 ARG 24 2HH2 ARG 24 1.442 -10.561 -7.592 142 H CYS 25 H CYS 25 1.026 -3.686 -0.942 143 HA CYS 25 HA CYS 25 3.900 -3.689 -0.524 144 HB3 CYS 25 2HB CYS 25 1.887 -3.152 1.634 145 H LEU 26 H LEU 26 4.952 -4.897 1.104 146 HA LEU 26 HA LEU 26 3.462 -7.208 2.139 147 HB3 LEU 26 2HB LEU 26 6.259 -7.378 1.041 148 HG LEU 26 HG LEU 26 5.364 -9.191 2.665 149 HD11 LEU 26 1HD1 LEU 26 3.178 -9.274 1.295 150 HD12 LEU 26 2HD1 LEU 26 3.892 -10.785 1.854 151 HD13 LEU 26 3HD1 LEU 26 4.104 -10.277 0.179 152 HD21 LEU 26 1HD2 LEU 26 7.311 -9.189 0.873 153 HD22 LEU 26 2HD2 LEU 26 6.269 -10.384 0.099 154 HD23 LEU 26 3HD2 LEU 26 6.851 -10.653 1.744 155 H PHE 27 H PHE 27 4.268 -8.110 4.078 156 HA PHE 27 HA PHE 27 5.334 -6.217 5.893 157 HB3 PHE 27 2HB PHE 27 5.546 -8.355 7.372 158 HD1 PHE 27 1HD PHE 27 4.209 -7.792 9.134 159 HD2 PHE 27 2HD PHE 27 2.622 -7.544 5.193 160 HE1 PHE 27 1HE PHE 27 2.065 -7.005 10.051 161 HE2 PHE 27 2HE PHE 27 0.476 -6.757 6.103 162 HZ PHE 27 HZ PHE 27 0.196 -6.485 8.534 163 H TYR 28 H TYR 28 6.753 -8.735 3.946 164 HA TYR 28 HA TYR 28 9.301 -8.605 5.325 165 HB3 TYR 28 2HB TYR 28 10.025 -10.234 3.573 166 HD1 TYR 28 1HD TYR 28 10.328 -11.305 5.771 167 HD2 TYR 28 2HD TYR 28 6.533 -11.222 3.849 168 HE1 TYR 28 1HE TYR 28 9.533 -13.078 7.279 169 HE2 TYR 28 2HE TYR 28 5.727 -12.995 5.351 170 HH TYR 28 HH TYR 28 7.413 -14.989 6.912 171 H ALA 29 H ALA 29 8.064 -7.853 2.073 172 HA ALA 29 HA ALA 29 10.479 -6.688 1.149 173 HB1 ALA 29 1HB ALA 29 9.350 -6.216 -0.808 174 HB2 ALA 29 2HB ALA 29 8.427 -7.581 -0.177 175 HB3 ALA 29 3HB ALA 29 7.817 -5.938 0.018 176 H ALA 30 H ALA 30 7.542 -5.356 2.598 177 HA ALA 30 HA ALA 30 7.085 -3.337 3.546 178 HB1 ALA 30 1HB ALA 30 8.649 -2.771 5.016 179 HB2 ALA 30 2HB ALA 30 9.737 -3.914 4.228 180 HB3 ALA 30 3HB ALA 30 9.727 -2.222 3.733 181 H LYS 31 H LYS 31 7.979 -3.710 0.542 182 HA LYS 31 HA LYS 31 7.639 -0.877 -0.101 183 HB3 LYS 31 2HB LYS 31 9.923 -2.621 -0.951 184 HG3 LYS 31 2HG LYS 31 10.326 -0.530 -2.549 185 HD3 LYS 31 2HD LYS 31 9.213 -1.964 -4.383 186 HE3 LYS 31 2HE LYS 31 11.016 -3.803 -3.039 187 HZ1 LYS 31 1HZ LYS 31 11.637 -2.089 -5.362 188 HZ2 LYS 31 2HZ LYS 31 10.588 -3.406 -5.512 189 HZ3 LYS 31 3HZ LYS 31 12.188 -3.652 -5.021 190 H CYS 32 H CYS 32 6.422 -0.493 -1.898 191 HA CYS 32 HA CYS 32 4.622 -2.379 -2.802 192 HB3 CYS 32 2HB CYS 32 5.028 -0.540 -4.926 193 H VAL 33 H VAL 33 5.006 -4.219 -3.832 194 HA VAL 33 HA VAL 33 7.094 -4.258 -5.915 195 HB VAL 33 HB VAL 33 7.033 -6.803 -5.471 196 HG11 VAL 33 1HG1 VAL 33 8.318 -5.908 -3.109 197 HG12 VAL 33 2HG1 VAL 33 9.043 -6.314 -4.667 198 HG13 VAL 33 3HG1 VAL 33 8.521 -4.661 -4.339 199 HG21 VAL 33 1HG2 VAL 33 5.961 -7.628 -3.679 200 HG22 VAL 33 2HG2 VAL 33 6.391 -6.251 -2.664 201 HG23 VAL 33 3HG2 VAL 33 5.016 -6.141 -3.763 202 H SER 34 H SER 34 6.534 -4.862 -7.921 203 HA SER 34 HA SER 34 3.902 -4.903 -8.779 204 HB3 SER 34 2HB SER 34 6.510 -5.685 -9.974 205 HG SER 34 HG SER 34 5.544 -7.247 -11.030 Start of MODEL 17 1 H1 SER 1 H SER 1 -10.317 17.125 -9.147 2 HA SER 1 HA SER 1 -9.102 17.740 -11.623 3 HB3 SER 1 2HB SER 1 -7.297 16.210 -10.042 4 HG SER 1 HG SER 1 -6.295 17.935 -10.684 5 H GLN 2 H GLN 2 -8.360 16.483 -13.255 6 HA GLN 2 HA GLN 2 -9.529 14.030 -13.802 7 HB3 GLN 2 2HB GLN 2 -7.185 13.957 -15.255 8 HG3 GLN 2 2HG GLN 2 -9.681 14.018 -15.975 9 HE21 GLN 2 1HE2 GLN 2 -11.389 15.272 -16.022 10 HE22 GLN 2 2HE2 GLN 2 -11.398 16.987 -16.232 11 H GLU 3 H GLU 3 -6.023 14.385 -13.290 12 HA GLU 3 HA GLU 3 -5.998 11.692 -12.130 13 HB3 GLU 3 2HB GLU 3 -4.507 12.267 -14.085 14 HG3 GLU 3 2HG GLU 3 -3.763 14.446 -12.506 15 H GLN 4 H GLN 4 -4.418 11.324 -10.339 16 HA GLN 4 HA GLN 4 -4.057 13.653 -8.602 17 HB3 GLN 4 2HB GLN 4 -5.003 12.553 -6.689 18 HG3 GLN 4 2HG GLN 4 -7.087 11.796 -8.649 19 HE21 GLN 4 1HE2 GLN 4 -8.398 11.046 -7.089 20 HE22 GLN 4 2HE2 GLN 4 -8.968 11.980 -5.752 21 H ARG 5 H ARG 5 -2.336 13.510 -7.167 22 HA ARG 5 HA ARG 5 -0.122 12.020 -7.967 23 HB3 ARG 5 2HB ARG 5 -0.656 13.244 -5.256 24 HG3 ARG 5 2HG ARG 5 1.845 12.243 -6.548 25 HD3 ARG 5 2HD ARG 5 1.633 14.808 -5.484 26 HE ARG 5 HE ARG 5 2.329 13.002 -3.354 27 HH11 ARG 5 1HH1 ARG 5 2.759 16.196 -4.670 28 HH12 ARG 5 2HH1 ARG 5 3.188 16.907 -3.149 29 HH21 ARG 5 1HH2 ARG 5 2.892 13.925 -1.347 30 HH22 ARG 5 2HH2 ARG 5 3.264 15.613 -1.260 31 H GLN 6 H GLN 6 0.511 9.992 -7.620 32 HA GLN 6 HA GLN 6 -1.143 8.112 -6.332 33 HB3 GLN 6 2HB GLN 6 1.322 6.891 -6.455 34 HG3 GLN 6 2HG GLN 6 -0.960 6.328 -7.566 35 HE21 GLN 6 1HE2 GLN 6 -2.205 6.491 -9.333 36 HE22 GLN 6 2HE2 GLN 6 -1.848 7.486 -10.700 37 H CYS 7 H CYS 7 -0.378 6.632 -4.570 38 HA CYS 7 HA CYS 7 0.527 8.257 -2.326 39 HB3 CYS 7 2HB CYS 7 -0.430 6.639 -0.913 40 H LYS 8 H LYS 8 1.283 5.073 -3.738 41 HA LYS 8 HA LYS 8 4.097 5.472 -3.327 42 HB3 LYS 8 2HB LYS 8 4.110 3.175 -2.002 43 HG3 LYS 8 2HG LYS 8 4.536 5.788 -1.256 44 HD3 LYS 8 2HD LYS 8 2.089 5.070 -0.106 45 HE3 LYS 8 2HE LYS 8 3.686 3.736 1.458 46 HZ1 LYS 8 1HZ LYS 8 3.881 6.099 3.092 47 HZ2 LYS 8 2HZ LYS 8 4.888 6.135 1.734 48 HZ3 LYS 8 3HZ LYS 8 5.007 4.861 2.841 49 H LYS 9 H LYS 9 4.625 4.934 -5.361 50 HA LYS 9 HA LYS 9 3.384 2.707 -6.714 51 HB3 LYS 9 2HB LYS 9 4.774 3.333 -8.609 52 HG3 LYS 9 2HG LYS 9 3.109 5.271 -7.248 53 HD3 LYS 9 2HD LYS 9 4.154 6.906 -9.208 54 HE3 LYS 9 2HE LYS 9 3.481 7.138 -6.606 55 HZ1 LYS 9 1HZ LYS 9 5.203 7.214 -5.232 56 HZ2 LYS 9 2HZ LYS 9 6.103 8.197 -6.275 57 HZ3 LYS 9 3HZ LYS 9 6.146 6.515 -6.451 58 H ILE 10 H ILE 10 5.348 1.529 -8.144 59 HA ILE 10 HA ILE 10 6.403 -0.366 -6.352 60 HB ILE 10 HB ILE 10 7.306 0.175 -9.183 61 HG13 ILE 10 2HG1 ILE 10 5.703 -1.627 -9.783 62 HG21 ILE 10 1HG2 ILE 10 8.875 -1.319 -8.572 63 HG22 ILE 10 2HG2 ILE 10 7.945 -1.885 -7.186 64 HG23 ILE 10 3HG2 ILE 10 7.574 -2.487 -8.801 65 HD11 ILE 10 1HD1 ILE 10 5.565 -2.206 -7.124 66 HD12 ILE 10 2HD1 ILE 10 4.075 -1.300 -7.390 67 HD13 ILE 10 3HD1 ILE 10 4.416 -2.740 -8.349 68 H GLY 11 H GLY 11 8.109 -0.244 -5.058 69 HA2 GLY 11 2HA GLY 11 10.480 0.048 -4.774 70 HA3 GLY 11 3HA GLY 11 10.407 1.392 -5.905 71 H GLU 12 H GLU 12 7.769 1.638 -3.933 72 HA GLU 12 HA GLU 12 9.038 3.754 -2.390 73 HB3 GLU 12 2HB GLU 12 6.682 4.271 -1.697 74 HG3 GLU 12 2HG GLU 12 6.065 5.346 -3.638 75 H HIS 13 H HIS 13 8.015 3.982 -0.070 76 HA HIS 13 HA HIS 13 8.515 1.423 1.285 77 HB3 HIS 13 2HB HIS 13 8.571 4.188 2.504 78 HD1 HIS 13 1HD HIS 13 7.726 3.311 4.776 79 HD2 HIS 13 2HD HIS 13 11.081 1.325 3.341 80 HE1 HIS 13 1HE HIS 13 8.588 1.960 6.714 81 H CYS 14 H CYS 14 7.091 0.593 2.767 82 HA CYS 14 HA CYS 14 4.837 2.027 3.753 83 HB3 CYS 14 2HB CYS 14 3.856 1.753 1.616 84 H TYR 15 H TYR 15 3.767 0.924 5.389 85 HA TYR 15 HA TYR 15 5.193 -1.393 6.409 86 HB3 TYR 15 2HB TYR 15 3.784 -1.039 8.437 87 HD1 TYR 15 1HD TYR 15 6.166 -0.861 9.086 88 HD2 TYR 15 2HD TYR 15 4.058 2.432 7.407 89 HE1 TYR 15 1HE TYR 15 7.920 0.663 9.889 90 HE2 TYR 15 2HE TYR 15 5.808 3.966 8.204 91 HH TYR 15 HH TYR 15 7.751 4.155 9.254 92 H VAL 16 H VAL 16 2.053 -0.561 5.102 93 HA VAL 16 HA VAL 16 1.380 -3.421 5.050 94 HB VAL 16 HB VAL 16 -1.037 -2.747 5.412 95 HG11 VAL 16 1HG1 VAL 16 0.510 -2.101 7.874 96 HG12 VAL 16 2HG1 VAL 16 -0.880 -3.169 7.660 97 HG13 VAL 16 3HG1 VAL 16 0.721 -3.685 7.126 98 HG21 VAL 16 1HG2 VAL 16 -1.621 -0.664 6.195 99 HG22 VAL 16 2HG2 VAL 16 0.001 -0.313 6.792 100 HG23 VAL 16 3HG2 VAL 16 -0.336 -0.250 5.062 101 H ALA 17 H ALA 17 -0.681 -3.691 3.592 102 HA ALA 17 HA ALA 17 0.054 -2.824 0.991 103 HB1 ALA 17 1HB ALA 17 -2.246 -3.851 0.415 104 HB2 ALA 17 2HB ALA 17 -0.970 -4.905 1.025 105 HB3 ALA 17 3HB ALA 17 -2.258 -4.366 2.102 106 H ASP 18 H ASP 18 -2.547 -1.907 3.215 107 HA ASP 18 HA ASP 18 -3.993 -0.220 1.552 108 HB3 ASP 18 2HB ASP 18 -4.687 0.938 3.664 109 H GLU 19 H GLU 19 -0.997 0.347 3.279 110 HA GLU 19 HA GLU 19 -0.896 3.144 3.049 111 HB3 GLU 19 2HB GLU 19 1.741 2.083 2.838 112 HG3 GLU 19 2HG GLU 19 1.320 4.009 4.167 113 H CYS 20 H CYS 20 -0.135 0.584 0.796 114 HA CYS 20 HA CYS 20 1.038 2.446 -1.112 115 HB3 CYS 20 2HB CYS 20 0.650 -0.120 -2.274 116 H CYS 21 H CYS 21 -0.054 3.384 -2.709 117 HA CYS 21 HA CYS 21 -2.839 3.235 -2.933 118 HB3 CYS 21 2HB CYS 21 -1.795 4.121 -5.418 119 H SER 22 H SER 22 -0.306 1.404 -4.467 120 HA SER 22 HA SER 22 -2.060 0.261 -6.463 121 HB3 SER 22 2HB SER 22 0.735 -0.625 -5.718 122 HG SER 22 HG SER 22 0.625 -1.147 -8.059 123 H LYS 23 H LYS 23 -1.246 -0.357 -3.222 124 HA LYS 23 HA LYS 23 -1.851 -1.989 -1.757 125 HB3 LYS 23 2HB LYS 23 -3.760 -3.373 -2.260 126 HG3 LYS 23 2HG LYS 23 -5.013 -1.408 -3.785 127 HD3 LYS 23 2HD LYS 23 -4.702 -1.441 -0.786 128 HE3 LYS 23 2HE LYS 23 -7.233 -0.843 -1.133 129 HZ1 LYS 23 1HZ LYS 23 -6.212 1.598 -1.660 130 HZ2 LYS 23 2HZ LYS 23 -4.865 0.793 -1.028 131 HZ3 LYS 23 3HZ LYS 23 -6.292 0.895 -0.123 132 H ARG 24 H ARG 24 0.528 -2.374 -3.024 133 HA ARG 24 HA ARG 24 0.600 -5.301 -3.319 134 HB3 ARG 24 2HB ARG 24 2.755 -4.457 -4.798 135 HG3 ARG 24 2HG ARG 24 1.473 -5.021 -6.797 136 HD3 ARG 24 2HD ARG 24 0.550 -6.916 -4.674 137 HE ARG 24 HE ARG 24 1.000 -7.142 -7.458 138 HH11 ARG 24 1HH1 ARG 24 1.385 -8.882 -4.467 139 HH12 ARG 24 2HH1 ARG 24 1.281 -10.444 -5.211 140 HH21 ARG 24 1HH2 ARG 24 0.861 -9.193 -8.449 141 HH22 ARG 24 2HH2 ARG 24 0.984 -10.619 -7.475 142 H CYS 25 H CYS 25 1.042 -3.665 -0.975 143 HA CYS 25 HA CYS 25 3.916 -3.663 -0.562 144 HB3 CYS 25 2HB CYS 25 1.905 -3.126 1.598 145 H LEU 26 H LEU 26 4.973 -4.868 1.068 146 HA LEU 26 HA LEU 26 3.487 -7.180 2.108 147 HB3 LEU 26 2HB LEU 26 6.284 -7.347 1.006 148 HG LEU 26 HG LEU 26 5.393 -9.158 2.635 149 HD11 LEU 26 1HD1 LEU 26 3.205 -9.247 1.268 150 HD12 LEU 26 2HD1 LEU 26 3.922 -10.757 1.827 151 HD13 LEU 26 3HD1 LEU 26 4.130 -10.249 0.151 152 HD21 LEU 26 1HD2 LEU 26 6.295 -10.355 0.070 153 HD22 LEU 26 2HD2 LEU 26 6.880 -10.620 1.713 154 HD23 LEU 26 3HD2 LEU 26 7.338 -9.157 0.838 155 H PHE 27 H PHE 27 4.296 -8.075 4.048 156 HA PHE 27 HA PHE 27 5.363 -6.179 5.858 157 HB3 PHE 27 2HB PHE 27 5.581 -8.316 7.338 158 HD1 PHE 27 1HD PHE 27 4.249 -7.748 9.105 159 HD2 PHE 27 2HD PHE 27 2.648 -7.509 5.167 160 HE1 PHE 27 1HE PHE 27 2.107 -6.961 10.026 161 HE2 PHE 27 2HE PHE 27 0.505 -6.721 6.083 162 HZ PHE 27 HZ PHE 27 0.233 -6.444 8.514 163 H TYR 28 H TYR 28 6.781 -8.699 3.914 164 HA TYR 28 HA TYR 28 9.332 -8.563 5.290 165 HB3 TYR 28 2HB TYR 28 10.054 -10.195 3.540 166 HD1 TYR 28 1HD TYR 28 6.564 -11.185 3.822 167 HD2 TYR 28 2HD TYR 28 10.362 -11.262 5.740 168 HE1 TYR 28 1HE TYR 28 5.761 -12.954 5.328 169 HE2 TYR 28 2HE TYR 28 9.569 -13.033 7.250 170 HH TYR 28 HH TYR 28 7.187 -13.771 8.130 171 H ALA 29 H ALA 29 8.089 -7.819 2.038 172 HA ALA 29 HA ALA 29 10.501 -6.652 1.108 173 HB1 ALA 29 1HB ALA 29 9.440 -6.659 -0.845 174 HB2 ALA 29 2HB ALA 29 8.056 -7.366 -0.011 175 HB3 ALA 29 3HB ALA 29 8.159 -5.618 -0.225 176 H ALA 30 H ALA 30 7.565 -5.321 2.560 177 HA ALA 30 HA ALA 30 7.109 -3.302 3.505 178 HB1 ALA 30 1HB ALA 30 9.748 -2.180 3.685 179 HB2 ALA 30 2HB ALA 30 8.675 -2.733 4.972 180 HB3 ALA 30 3HB ALA 30 9.764 -3.873 4.181 181 H LYS 31 H LYS 31 7.998 -3.678 0.500 182 HA LYS 31 HA LYS 31 7.654 -0.846 -0.147 183 HB3 LYS 31 2HB LYS 31 9.939 -2.590 -0.998 184 HG3 LYS 31 2HG LYS 31 10.338 -0.501 -2.599 185 HD3 LYS 31 2HD LYS 31 9.222 -1.940 -4.430 186 HE3 LYS 31 2HE LYS 31 11.174 -3.470 -2.749 187 HZ1 LYS 31 1HZ LYS 31 11.595 -2.948 -5.574 188 HZ2 LYS 31 2HZ LYS 31 10.266 -3.927 -5.205 189 HZ3 LYS 31 3HZ LYS 31 11.815 -4.374 -4.691 190 H CYS 32 H CYS 32 6.434 -0.466 -1.943 191 HA CYS 32 HA CYS 32 4.635 -2.357 -2.841 192 HB3 CYS 32 2HB CYS 32 5.036 -0.520 -4.968 193 H VAL 33 H VAL 33 5.019 -4.197 -3.869 194 HA VAL 33 HA VAL 33 7.103 -4.237 -5.955 195 HB VAL 33 HB VAL 33 7.047 -6.782 -5.507 196 HG11 VAL 33 1HG1 VAL 33 8.337 -5.888 -3.149 197 HG12 VAL 33 2HG1 VAL 33 9.058 -6.282 -4.711 198 HG13 VAL 33 3HG1 VAL 33 8.531 -4.634 -4.373 199 HG21 VAL 33 1HG2 VAL 33 6.410 -6.226 -2.702 200 HG22 VAL 33 2HG2 VAL 33 5.031 -6.120 -3.797 201 HG23 VAL 33 3HG2 VAL 33 5.977 -7.605 -3.712 202 H SER 34 H SER 34 6.542 -4.845 -7.959 203 HA SER 34 HA SER 34 3.909 -4.890 -8.814 204 HB3 SER 34 2HB SER 34 6.453 -5.915 -10.055 205 HG SER 34 HG SER 34 5.383 -6.599 -11.780 Start of MODEL 18 1 H1 SER 1 H SER 1 -8.380 16.773 -19.196 2 HA SER 1 HA SER 1 -7.404 14.366 -19.087 3 HB3 SER 1 2HB SER 1 -4.782 15.146 -18.544 4 HG SER 1 HG SER 1 -5.815 13.313 -19.826 5 H GLN 2 H GLN 2 -7.264 13.629 -17.025 6 HA GLN 2 HA GLN 2 -7.516 15.613 -14.916 7 HB3 GLN 2 2HB GLN 2 -7.987 13.562 -13.497 8 HG3 GLN 2 2HG GLN 2 -10.000 13.067 -15.423 9 HE21 GLN 2 1HE2 GLN 2 -9.774 15.944 -13.420 10 HE22 GLN 2 2HE2 GLN 2 -10.858 15.399 -12.189 11 H GLU 3 H GLU 3 -6.385 15.197 -12.817 12 HA GLU 3 HA GLU 3 -3.732 13.996 -13.163 13 HB3 GLU 3 2HB GLU 3 -3.614 16.466 -13.583 14 HG3 GLU 3 2HG GLU 3 -4.149 16.723 -10.635 15 H GLN 4 H GLN 4 -2.956 12.966 -11.391 16 HA GLN 4 HA GLN 4 -4.135 13.440 -8.780 17 HB3 GLN 4 2HB GLN 4 -5.684 11.817 -9.555 18 HG3 GLN 4 2HG GLN 4 -4.263 9.496 -10.108 19 HE21 GLN 4 1HE2 GLN 4 -4.151 10.850 -13.024 20 HE22 GLN 4 2HE2 GLN 4 -5.784 10.633 -13.544 21 H ARG 5 H ARG 5 -2.937 12.491 -7.047 22 HA ARG 5 HA ARG 5 -0.176 11.821 -7.818 23 HB3 ARG 5 2HB ARG 5 -1.252 13.102 -5.302 24 HG3 ARG 5 2HG ARG 5 1.558 12.289 -5.991 25 HD3 ARG 5 2HD ARG 5 0.535 14.183 -3.885 26 HE ARG 5 HE ARG 5 2.883 12.542 -3.775 27 HH11 ARG 5 1HH1 ARG 5 1.528 15.627 -2.903 28 HH12 ARG 5 2HH1 ARG 5 2.612 15.874 -1.574 29 HH21 ARG 5 1HH2 ARG 5 4.315 12.855 -2.027 30 HH22 ARG 5 2HH2 ARG 5 4.197 14.296 -1.078 31 H GLN 6 H GLN 6 0.294 9.740 -7.627 32 HA GLN 6 HA GLN 6 -1.285 7.840 -6.316 33 HB3 GLN 6 2HB GLN 6 1.184 6.655 -6.410 34 HG3 GLN 6 2HG GLN 6 -0.796 5.761 -7.494 35 HE21 GLN 6 1HE2 GLN 6 -2.630 6.580 -8.215 36 HE22 GLN 6 2HE2 GLN 6 -2.807 7.623 -9.580 37 H CYS 7 H CYS 7 -0.503 6.381 -4.541 38 HA CYS 7 HA CYS 7 0.338 8.032 -2.292 39 HB3 CYS 7 2HB CYS 7 -0.594 6.394 -0.886 40 H LYS 8 H LYS 8 1.188 4.866 -3.689 41 HA LYS 8 HA LYS 8 3.986 5.336 -3.247 42 HB3 LYS 8 2HB LYS 8 4.043 3.042 -1.918 43 HG3 LYS 8 2HG LYS 8 4.394 5.667 -1.173 44 HD3 LYS 8 2HD LYS 8 1.952 4.888 -0.049 45 HE3 LYS 8 2HE LYS 8 3.561 3.595 1.535 46 HZ1 LYS 8 1HZ LYS 8 4.777 4.752 3.009 47 HZ2 LYS 8 2HZ LYS 8 3.680 6.036 3.100 48 HZ3 LYS 8 3HZ LYS 8 4.771 5.947 1.810 49 H LYS 9 H LYS 9 4.549 4.808 -5.275 50 HA LYS 9 HA LYS 9 3.378 2.549 -6.637 51 HB3 LYS 9 2HB LYS 9 4.771 3.207 -8.519 52 HG3 LYS 9 2HG LYS 9 3.045 5.102 -7.178 53 HD3 LYS 9 2HD LYS 9 4.079 6.769 -9.119 54 HE3 LYS 9 2HE LYS 9 5.112 7.172 -6.387 55 HZ1 LYS 9 1HZ LYS 9 3.920 9.284 -6.687 56 HZ2 LYS 9 2HZ LYS 9 3.372 8.755 -8.198 57 HZ3 LYS 9 3HZ LYS 9 5.027 8.989 -7.933 58 H ILE 10 H ILE 10 5.389 1.420 -8.045 59 HA ILE 10 HA ILE 10 6.471 -0.447 -6.237 60 HB ILE 10 HB ILE 10 7.390 0.113 -9.059 61 HG13 ILE 10 2HG1 ILE 10 5.841 -1.732 -9.673 62 HG21 ILE 10 1HG2 ILE 10 7.723 -2.540 -8.671 63 HG22 ILE 10 2HG2 ILE 10 8.990 -1.338 -8.431 64 HG23 ILE 10 3HG2 ILE 10 8.062 -1.927 -7.052 65 HD11 ILE 10 1HD1 ILE 10 5.688 -2.307 -7.014 66 HD12 ILE 10 2HD1 ILE 10 4.179 -1.440 -7.298 67 HD13 ILE 10 3HD1 ILE 10 4.566 -2.873 -8.250 68 H GLY 11 H GLY 11 8.158 -0.279 -4.925 69 HA2 GLY 11 2HA GLY 11 10.518 0.074 -4.615 70 HA3 GLY 11 3HA GLY 11 10.423 1.413 -5.748 71 H GLU 12 H GLU 12 7.759 1.594 -3.806 72 HA GLU 12 HA GLU 12 8.957 3.743 -2.252 73 HB3 GLU 12 2HB GLU 12 6.583 4.205 -1.588 74 HG3 GLU 12 2HG GLU 12 5.960 5.257 -3.537 75 H HIS 13 H HIS 13 7.902 3.949 0.055 76 HA HIS 13 HA HIS 13 8.451 1.405 1.420 77 HB3 HIS 13 2HB HIS 13 8.420 4.171 2.636 78 HD1 HIS 13 1HD HIS 13 7.575 3.277 4.901 79 HD2 HIS 13 2HD HIS 13 10.992 1.372 3.503 80 HE1 HIS 13 1HE HIS 13 8.448 1.950 6.850 81 H CYS 14 H CYS 14 7.034 0.545 2.893 82 HA CYS 14 HA CYS 14 4.731 1.919 3.848 83 HB3 CYS 14 2HB CYS 14 3.781 1.618 1.702 84 H TYR 15 H TYR 15 3.673 0.790 5.474 85 HA TYR 15 HA TYR 15 5.144 -1.488 6.512 86 HB3 TYR 15 2HB TYR 15 3.767 -1.162 8.537 87 HD1 TYR 15 1HD TYR 15 6.135 -0.786 9.147 88 HD2 TYR 15 2HD TYR 15 3.750 2.305 7.455 89 HE1 TYR 15 1HE TYR 15 7.775 0.884 9.903 90 HE2 TYR 15 2HE TYR 15 5.384 3.983 8.204 91 HH TYR 15 HH TYR 15 8.399 3.030 9.796 92 H VAL 16 H VAL 16 2.001 -0.737 5.167 93 HA VAL 16 HA VAL 16 1.400 -3.613 5.112 94 HB VAL 16 HB VAL 16 -1.031 -3.015 5.455 95 HG11 VAL 16 1HG1 VAL 16 0.379 -4.066 7.184 96 HG12 VAL 16 2HG1 VAL 16 0.811 -2.461 7.779 97 HG13 VAL 16 3HG1 VAL 16 -0.862 -3.016 7.868 98 HG21 VAL 16 1HG2 VAL 16 -0.216 -0.450 5.176 99 HG22 VAL 16 2HG2 VAL 16 -1.714 -0.931 5.972 100 HG23 VAL 16 3HG2 VAL 16 -0.278 -0.586 6.933 101 H ALA 17 H ALA 17 -0.637 -3.937 3.632 102 HA ALA 17 HA ALA 17 0.105 -3.053 1.038 103 HB1 ALA 17 1HB ALA 17 -0.866 -5.159 1.065 104 HB2 ALA 17 2HB ALA 17 -2.182 -4.651 2.124 105 HB3 ALA 17 3HB ALA 17 -2.161 -4.140 0.436 106 H ASP 18 H ASP 18 -2.543 -2.199 3.233 107 HA ASP 18 HA ASP 18 -4.012 -0.551 1.552 108 HB3 ASP 18 2HB ASP 18 -3.723 0.351 4.361 109 H GLU 19 H GLU 19 -1.049 0.094 3.311 110 HA GLU 19 HA GLU 19 -1.017 2.891 3.078 111 HB3 GLU 19 2HB GLU 19 1.617 2.305 3.044 112 HG3 GLU 19 2HG GLU 19 1.006 1.659 5.652 113 H CYS 20 H CYS 20 -0.167 0.348 0.837 114 HA CYS 20 HA CYS 20 0.980 2.237 -1.060 115 HB3 CYS 20 2HB CYS 20 0.669 -0.339 -2.223 116 H CYS 21 H CYS 21 -0.117 3.145 -2.671 117 HA CYS 21 HA CYS 21 -2.895 2.925 -2.925 118 HB3 CYS 21 2HB CYS 21 -1.846 3.835 -5.400 119 H SER 22 H SER 22 -0.300 1.156 -4.427 120 HA SER 22 HA SER 22 -2.001 -0.033 -6.441 121 HB3 SER 22 2HB SER 22 0.789 -0.900 -5.677 122 HG SER 22 HG SER 22 0.714 -1.959 -7.509 123 H LYS 23 H LYS 23 -1.210 -0.627 -3.191 124 HA LYS 23 HA LYS 23 -1.790 -2.271 -1.730 125 HB3 LYS 23 2HB LYS 23 -3.658 -3.704 -2.254 126 HG3 LYS 23 2HG LYS 23 -4.944 -1.772 -3.795 127 HD3 LYS 23 2HD LYS 23 -4.664 -1.794 -0.792 128 HE3 LYS 23 2HE LYS 23 -6.583 -0.640 -2.744 129 HZ1 LYS 23 1HZ LYS 23 -7.446 -1.423 -0.019 130 HZ2 LYS 23 2HZ LYS 23 -7.844 -2.311 -1.402 131 HZ3 LYS 23 3HZ LYS 23 -8.383 -0.716 -1.238 132 H ARG 24 H ARG 24 0.613 -2.597 -2.973 133 HA ARG 24 HA ARG 24 0.761 -5.521 -3.263 134 HB3 ARG 24 2HB ARG 24 2.910 -4.626 -4.717 135 HG3 ARG 24 2HG ARG 24 1.665 -5.222 -6.732 136 HD3 ARG 24 2HD ARG 24 0.672 -7.190 -4.745 137 HE ARG 24 HE ARG 24 2.477 -8.045 -6.785 138 HH11 ARG 24 1HH1 ARG 24 -0.809 -7.084 -6.156 139 HH12 ARG 24 2HH1 ARG 24 -1.462 -7.970 -7.494 140 HH21 ARG 24 1HH2 ARG 24 1.629 -9.216 -8.551 141 HH22 ARG 24 2HH2 ARG 24 -0.075 -9.183 -8.856 142 H CYS 25 H CYS 25 1.135 -3.872 -0.915 143 HA CYS 25 HA CYS 25 4.005 -3.798 -0.471 144 HB3 CYS 25 2HB CYS 25 1.957 -3.308 1.666 145 H LEU 26 H LEU 26 5.072 -4.974 1.172 146 HA LEU 26 HA LEU 26 3.632 -7.320 2.200 147 HB3 LEU 26 2HB LEU 26 6.444 -7.420 1.130 148 HG LEU 26 HG LEU 26 5.581 -9.250 2.751 149 HD11 LEU 26 1HD1 LEU 26 4.159 -10.885 1.930 150 HD12 LEU 26 2HD1 LEU 26 4.373 -10.375 0.256 151 HD13 LEU 26 3HD1 LEU 26 3.410 -9.394 1.360 152 HD21 LEU 26 1HD2 LEU 26 7.545 -9.203 0.977 153 HD22 LEU 26 2HD2 LEU 26 6.541 -10.426 0.198 154 HD23 LEU 26 3HD2 LEU 26 7.114 -10.676 1.848 155 H PHE 27 H PHE 27 4.443 -8.193 4.150 156 HA PHE 27 HA PHE 27 5.441 -6.268 5.969 157 HB3 PHE 27 2HB PHE 27 5.697 -8.398 7.455 158 HD1 PHE 27 1HD PHE 27 2.773 -7.654 5.252 159 HD2 PHE 27 2HD PHE 27 4.329 -7.871 9.207 160 HE1 PHE 27 1HE PHE 27 0.602 -6.915 6.142 161 HE2 PHE 27 2HE PHE 27 2.160 -7.133 10.104 162 HZ PHE 27 HZ PHE 27 0.293 -6.656 8.571 163 H TYR 28 H TYR 28 6.944 -8.754 4.044 164 HA TYR 28 HA TYR 28 9.474 -8.553 5.447 165 HB3 TYR 28 2HB TYR 28 10.257 -10.168 3.707 166 HD1 TYR 28 1HD TYR 28 6.791 -11.246 3.952 167 HD2 TYR 28 2HD TYR 28 10.567 -11.223 5.913 168 HE1 TYR 28 1HE TYR 28 6.016 -13.035 5.452 169 HE2 TYR 28 2HE TYR 28 9.803 -13.013 7.417 170 HH TYR 28 HH TYR 28 6.565 -13.910 7.710 171 H ALA 29 H ALA 29 8.251 -7.844 2.181 172 HA ALA 29 HA ALA 29 10.643 -6.618 1.278 173 HB1 ALA 29 1HB ALA 29 7.954 -5.971 0.132 174 HB2 ALA 29 2HB ALA 29 9.506 -6.147 -0.688 175 HB3 ALA 29 3HB ALA 29 8.662 -7.572 -0.084 176 H ALA 30 H ALA 30 7.658 -5.359 2.694 177 HA ALA 30 HA ALA 30 7.140 -3.351 3.630 178 HB1 ALA 30 1HB ALA 30 9.752 -2.168 3.835 179 HB2 ALA 30 2HB ALA 30 8.674 -2.734 5.112 180 HB3 ALA 30 3HB ALA 30 9.796 -3.857 4.342 181 H LYS 31 H LYS 31 8.072 -3.709 0.636 182 HA LYS 31 HA LYS 31 7.663 -0.887 -0.019 183 HB3 LYS 31 2HB LYS 31 10.001 -2.573 -0.842 184 HG3 LYS 31 2HG LYS 31 10.365 -0.477 -2.441 185 HD3 LYS 31 2HD LYS 31 9.309 -1.945 -4.283 186 HE3 LYS 31 2HE LYS 31 11.196 -3.616 -2.744 187 HZ1 LYS 31 1HZ LYS 31 12.388 -2.946 -5.024 188 HZ2 LYS 31 2HZ LYS 31 10.772 -2.751 -5.481 189 HZ3 LYS 31 3HZ LYS 31 11.307 -4.241 -4.885 190 H CYS 32 H CYS 32 6.455 -0.540 -1.829 191 HA CYS 32 HA CYS 32 4.714 -2.477 -2.745 192 HB3 CYS 32 2HB CYS 32 5.092 -0.634 -4.870 193 H VAL 33 H VAL 33 5.156 -4.308 -3.765 194 HA VAL 33 HA VAL 33 7.264 -4.298 -5.828 195 HB VAL 33 HB VAL 33 7.269 -6.843 -5.376 196 HG11 VAL 33 1HG1 VAL 33 9.255 -6.300 -4.548 197 HG12 VAL 33 2HG1 VAL 33 8.688 -4.657 -4.238 198 HG13 VAL 33 3HG1 VAL 33 8.503 -5.904 -3.003 199 HG21 VAL 33 1HG2 VAL 33 6.585 -6.303 -2.580 200 HG22 VAL 33 2HG2 VAL 33 5.217 -6.228 -3.689 201 HG23 VAL 33 3HG2 VAL 33 6.197 -7.691 -3.596 202 H SER 34 H SER 34 6.740 -4.922 -7.838 203 HA SER 34 HA SER 34 4.118 -5.037 -8.719 204 HB3 SER 34 2HB SER 34 6.493 -6.342 -10.068 205 HG SER 34 HG SER 34 5.116 -6.631 -11.613 Start of MODEL 19 1 H1 SER 1 H SER 1 3.136 14.343 -14.521 2 HA SER 1 HA SER 1 4.525 14.881 -16.624 3 HB3 SER 1 2HB SER 1 5.804 16.621 -15.363 4 HG SER 1 HG SER 1 7.585 14.850 -14.313 5 H GLN 2 H GLN 2 5.060 13.259 -13.549 6 HA GLN 2 HA GLN 2 5.616 10.785 -15.022 7 HB3 GLN 2 2HB GLN 2 7.793 11.530 -14.354 8 HG3 GLN 2 2HG GLN 2 6.933 11.624 -11.484 9 HE21 GLN 2 1HE2 GLN 2 8.781 10.979 -10.571 10 HE22 GLN 2 2HE2 GLN 2 10.332 11.676 -10.874 11 H GLU 3 H GLU 3 4.825 12.253 -11.891 12 HA GLU 3 HA GLU 3 3.416 9.785 -11.142 13 HB3 GLU 3 2HB GLU 3 5.166 10.704 -9.592 14 HG3 GLU 3 2HG GLU 3 3.263 12.694 -8.547 15 H GLN 4 H GLN 4 1.313 9.947 -10.163 16 HA GLN 4 HA GLN 4 -0.171 12.349 -11.004 17 HB3 GLN 4 2HB GLN 4 -1.520 9.691 -10.797 18 HG3 GLN 4 2HG GLN 4 -2.028 12.274 -12.095 19 HE21 GLN 4 1HE2 GLN 4 -2.557 12.618 -14.132 20 HE22 GLN 4 2HE2 GLN 4 -2.872 11.402 -15.318 21 H ARG 5 H ARG 5 0.865 12.461 -8.552 22 HA ARG 5 HA ARG 5 0.378 12.774 -6.353 23 HB3 ARG 5 2HB ARG 5 -2.546 12.493 -6.916 24 HG3 ARG 5 2HG ARG 5 -1.061 14.670 -5.471 25 HD3 ARG 5 2HD ARG 5 -3.946 13.791 -5.475 26 HE ARG 5 HE ARG 5 -2.589 15.271 -3.504 27 HH11 ARG 5 1HH1 ARG 5 -5.487 15.367 -5.431 28 HH12 ARG 5 2HH1 ARG 5 -6.391 16.273 -4.261 29 HH21 ARG 5 1HH2 ARG 5 -3.768 16.462 -1.957 30 HH22 ARG 5 2HH2 ARG 5 -5.410 16.896 -2.286 31 H GLN 6 H GLN 6 0.891 10.124 -7.177 32 HA GLN 6 HA GLN 6 -1.011 8.324 -6.039 33 HB3 GLN 6 2HB GLN 6 1.137 6.781 -6.149 34 HG3 GLN 6 2HG GLN 6 0.841 6.748 -8.743 35 HE21 GLN 6 1HE2 GLN 6 -2.386 6.892 -7.797 36 HE22 GLN 6 2HE2 GLN 6 -2.600 5.231 -7.376 37 H CYS 7 H CYS 7 -0.243 6.722 -4.310 38 HA CYS 7 HA CYS 7 0.588 8.292 -2.000 39 HB3 CYS 7 2HB CYS 7 -0.377 6.620 -0.657 40 H LYS 8 H LYS 8 1.420 5.161 -3.485 41 HA LYS 8 HA LYS 8 4.218 5.585 -2.994 42 HB3 LYS 8 2HB LYS 8 4.232 3.249 -1.737 43 HG3 LYS 8 2HG LYS 8 4.603 5.844 -0.904 44 HD3 LYS 8 2HD LYS 8 2.137 5.048 0.167 45 HE3 LYS 8 2HE LYS 8 3.714 3.712 1.739 46 HZ1 LYS 8 1HZ LYS 8 4.506 6.415 2.269 47 HZ2 LYS 8 2HZ LYS 8 5.252 4.964 2.717 48 HZ3 LYS 8 3HZ LYS 8 4.006 5.602 3.666 49 H LYS 9 H LYS 9 4.797 5.116 -5.033 50 HA LYS 9 HA LYS 9 3.622 2.908 -6.475 51 HB3 LYS 9 2HB LYS 9 5.046 3.614 -8.321 52 HG3 LYS 9 2HG LYS 9 4.470 6.322 -7.530 53 HD3 LYS 9 2HD LYS 9 4.500 5.324 -9.839 54 HE3 LYS 9 2HE LYS 9 2.043 4.018 -8.738 55 HZ1 LYS 9 1HZ LYS 9 2.482 4.281 -11.644 56 HZ2 LYS 9 2HZ LYS 9 1.558 5.423 -10.806 57 HZ3 LYS 9 3HZ LYS 9 1.085 3.799 -10.822 58 H ILE 10 H ILE 10 5.587 1.765 -7.886 59 HA ILE 10 HA ILE 10 6.657 -0.145 -6.133 60 HB ILE 10 HB ILE 10 7.609 0.489 -8.928 61 HG13 ILE 10 2HG1 ILE 10 6.043 -1.315 -9.615 62 HG21 ILE 10 1HG2 ILE 10 7.904 -2.181 -8.615 63 HG22 ILE 10 2HG2 ILE 10 9.184 -1.003 -8.330 64 HG23 ILE 10 3HG2 ILE 10 8.237 -1.619 -6.978 65 HD11 ILE 10 1HD1 ILE 10 5.859 -1.974 -6.977 66 HD12 ILE 10 2HD1 ILE 10 4.362 -1.080 -7.247 67 HD13 ILE 10 3HD1 ILE 10 4.742 -2.487 -8.240 68 H GLY 11 H GLY 11 8.329 -0.025 -4.796 69 HA2 GLY 11 2HA GLY 11 10.692 0.293 -4.458 70 HA3 GLY 11 3HA GLY 11 10.619 1.666 -5.553 71 H GLU 12 H GLU 12 7.939 1.827 -3.638 72 HA GLU 12 HA GLU 12 9.147 3.911 -2.005 73 HB3 GLU 12 2HB GLU 12 6.761 4.371 -1.351 74 HG3 GLU 12 2HG GLU 12 6.192 5.522 -3.263 75 H HIS 13 H HIS 13 8.105 4.069 0.297 76 HA HIS 13 HA HIS 13 8.589 1.478 1.592 77 HB3 HIS 13 2HB HIS 13 8.569 4.207 2.890 78 HD1 HIS 13 1HD HIS 13 7.694 3.258 5.119 79 HD2 HIS 13 2HD HIS 13 11.101 1.352 3.697 80 HE1 HIS 13 1HE HIS 13 8.533 1.861 7.034 81 H CYS 14 H CYS 14 7.146 0.592 3.027 82 HA CYS 14 HA CYS 14 4.843 1.962 3.987 83 HB3 CYS 14 2HB CYS 14 3.922 1.729 1.818 84 H TYR 15 H TYR 15 3.755 0.801 5.569 85 HA TYR 15 HA TYR 15 5.190 -1.522 6.561 86 HB3 TYR 15 2HB TYR 15 3.714 -1.241 8.560 87 HD1 TYR 15 1HD TYR 15 4.128 2.237 7.500 88 HD2 TYR 15 2HD TYR 15 5.982 -1.072 9.428 89 HE1 TYR 15 1HE TYR 15 5.859 3.737 8.396 90 HE2 TYR 15 2HE TYR 15 7.718 0.419 10.330 91 HH TYR 15 HH TYR 15 8.718 2.751 9.566 92 H VAL 16 H VAL 16 2.067 -0.696 5.210 93 HA VAL 16 HA VAL 16 1.434 -3.562 5.068 94 HB VAL 16 HB VAL 16 -0.997 -2.936 5.399 95 HG11 VAL 16 1HG1 VAL 16 0.130 -2.273 7.987 96 HG12 VAL 16 2HG1 VAL 16 -0.759 -3.709 7.476 97 HG13 VAL 16 3HG1 VAL 16 0.983 -3.608 7.213 98 HG21 VAL 16 1HG2 VAL 16 -0.189 -0.567 6.955 99 HG22 VAL 16 2HG2 VAL 16 -0.160 -0.382 5.202 100 HG23 VAL 16 3HG2 VAL 16 -1.649 -0.863 6.013 101 H ALA 17 H ALA 17 -0.588 -3.822 3.558 102 HA ALA 17 HA ALA 17 0.188 -2.874 0.998 103 HB1 ALA 17 1HB ALA 17 -2.119 -4.482 2.020 104 HB2 ALA 17 2HB ALA 17 -2.087 -3.919 0.348 105 HB3 ALA 17 3HB ALA 17 -0.804 -4.969 0.949 106 H ASP 18 H ASP 18 -2.473 -2.056 3.187 107 HA ASP 18 HA ASP 18 -3.909 -0.345 1.539 108 HB3 ASP 18 2HB ASP 18 -4.106 0.828 4.040 109 H GLU 19 H GLU 19 -0.958 0.218 3.347 110 HA GLU 19 HA GLU 19 -0.895 3.021 3.194 111 HB3 GLU 19 2HB GLU 19 1.741 2.366 3.148 112 HG3 GLU 19 2HG GLU 19 1.629 2.162 5.630 113 H CYS 20 H CYS 20 -0.045 0.534 0.892 114 HA CYS 20 HA CYS 20 1.145 2.461 -0.938 115 HB3 CYS 20 2HB CYS 20 0.816 -0.076 -2.177 116 H CYS 21 H CYS 21 0.077 3.429 -2.534 117 HA CYS 21 HA CYS 21 -2.701 3.252 -2.825 118 HB3 CYS 21 2HB CYS 21 -1.613 4.219 -5.261 119 H SER 22 H SER 22 -0.110 1.494 -4.349 120 HA SER 22 HA SER 22 -1.806 0.384 -6.413 121 HB3 SER 22 2HB SER 22 0.995 -0.453 -5.625 122 HG SER 22 HG SER 22 0.472 -0.651 -8.218 123 H LYS 23 H LYS 23 -1.053 -0.312 -3.174 124 HA LYS 23 HA LYS 23 -1.666 -1.991 -1.766 125 HB3 LYS 23 2HB LYS 23 -3.545 -3.385 -2.350 126 HG3 LYS 23 2HG LYS 23 -4.792 -1.395 -3.847 127 HD3 LYS 23 2HD LYS 23 -4.544 -1.510 -0.843 128 HE3 LYS 23 2HE LYS 23 -6.569 -0.418 -2.768 129 HZ1 LYS 23 1HZ LYS 23 -7.098 -1.731 -0.280 130 HZ2 LYS 23 2HZ LYS 23 -8.178 -1.195 -1.465 131 HZ3 LYS 23 3HZ LYS 23 -7.629 -0.124 -0.277 132 H ARG 24 H ARG 24 0.745 -2.311 -2.988 133 HA ARG 24 HA ARG 24 0.862 -5.227 -3.362 134 HB3 ARG 24 2HB ARG 24 3.037 -4.316 -4.769 135 HG3 ARG 24 2HG ARG 24 1.807 -4.839 -6.811 136 HD3 ARG 24 2HD ARG 24 0.950 -6.769 -4.671 137 HE ARG 24 HE ARG 24 2.072 -7.730 -7.137 138 HH11 ARG 24 1HH1 ARG 24 -0.836 -6.702 -5.521 139 HH12 ARG 24 2HH1 ARG 24 -1.890 -7.588 -6.574 140 HH21 ARG 24 1HH2 ARG 24 0.695 -8.902 -8.528 141 HH22 ARG 24 2HH2 ARG 24 -1.017 -8.840 -8.283 142 H CYS 25 H CYS 25 1.230 -3.650 -0.965 143 HA CYS 25 HA CYS 25 4.095 -3.623 -0.488 144 HB3 CYS 25 2HB CYS 25 2.030 -3.170 1.641 145 H LEU 26 H LEU 26 5.133 -4.860 1.127 146 HA LEU 26 HA LEU 26 3.655 -7.217 2.074 147 HB3 LEU 26 2HB LEU 26 6.475 -7.321 1.028 148 HG LEU 26 HG LEU 26 5.573 -9.187 2.588 149 HD11 LEU 26 1HD1 LEU 26 4.142 -10.779 1.704 150 HD12 LEU 26 2HD1 LEU 26 4.380 -10.225 0.047 151 HD13 LEU 26 3HD1 LEU 26 3.416 -9.263 1.169 152 HD21 LEU 26 1HD2 LEU 26 7.558 -9.112 0.840 153 HD22 LEU 26 2HD2 LEU 26 6.549 -10.297 0.009 154 HD23 LEU 26 3HD2 LEU 26 7.097 -10.606 1.658 155 H PHE 27 H PHE 27 4.436 -8.156 4.005 156 HA PHE 27 HA PHE 27 5.440 -6.297 5.888 157 HB3 PHE 27 2HB PHE 27 5.652 -8.467 7.317 158 HD1 PHE 27 1HD PHE 27 4.259 -7.997 9.065 159 HD2 PHE 27 2HD PHE 27 2.771 -7.620 5.095 160 HE1 PHE 27 1HE PHE 27 2.084 -7.266 9.953 161 HE2 PHE 27 2HE PHE 27 0.594 -6.888 5.976 162 HZ PHE 27 HZ PHE 27 0.248 -6.709 8.408 163 H TYR 28 H TYR 28 6.932 -8.741 3.904 164 HA TYR 28 HA TYR 28 9.450 -8.616 5.337 165 HB3 TYR 28 2HB TYR 28 10.230 -10.184 3.552 166 HD1 TYR 28 1HD TYR 28 6.750 -11.227 3.742 167 HD2 TYR 28 2HD TYR 28 10.514 -11.312 5.724 168 HE1 TYR 28 1HE TYR 28 5.944 -13.052 5.181 169 HE2 TYR 28 2HE TYR 28 9.719 -13.139 7.167 170 HH TYR 28 HH TYR 28 7.669 -14.099 7.959 171 H ALA 29 H ALA 29 8.268 -7.791 2.082 172 HA ALA 29 HA ALA 29 10.684 -6.565 1.241 173 HB1 ALA 29 1HB ALA 29 9.607 -6.100 -0.731 174 HB2 ALA 29 2HB ALA 29 8.634 -7.445 -0.132 175 HB3 ALA 29 3HB ALA 29 8.061 -5.787 0.059 176 H ALA 30 H ALA 30 7.697 -5.317 2.663 177 HA ALA 30 HA ALA 30 7.191 -3.333 3.657 178 HB1 ALA 30 1HB ALA 30 9.804 -2.173 3.929 179 HB2 ALA 30 2HB ALA 30 8.719 -2.793 5.175 180 HB3 ALA 30 3HB ALA 30 9.846 -3.881 4.365 181 H LYS 31 H LYS 31 8.150 -3.611 0.663 182 HA LYS 31 HA LYS 31 7.773 -0.766 0.088 183 HB3 LYS 31 2HB LYS 31 10.106 -2.447 -0.760 184 HG3 LYS 31 2HG LYS 31 10.504 -0.308 -2.292 185 HD3 LYS 31 2HD LYS 31 9.460 -1.709 -4.190 186 HE3 LYS 31 2HE LYS 31 11.791 -2.112 -2.555 187 HZ1 LYS 31 1HZ LYS 31 12.149 -4.321 -2.640 188 HZ2 LYS 31 2HZ LYS 31 11.262 -4.543 -4.063 189 HZ3 LYS 31 3HZ LYS 31 10.461 -4.400 -2.579 190 H CYS 32 H CYS 32 6.591 -0.355 -1.727 191 HA CYS 32 HA CYS 32 4.841 -2.246 -2.717 192 HB3 CYS 32 2HB CYS 32 5.263 -0.348 -4.785 193 H VAL 33 H VAL 33 5.271 -4.051 -3.787 194 HA VAL 33 HA VAL 33 7.404 -4.006 -5.822 195 HB VAL 33 HB VAL 33 7.374 -6.563 -5.444 196 HG11 VAL 33 1HG1 VAL 33 8.806 -4.428 -4.232 197 HG12 VAL 33 2HG1 VAL 33 8.599 -5.709 -3.035 198 HG13 VAL 33 3HG1 VAL 33 9.359 -6.064 -4.587 199 HG21 VAL 33 1HG2 VAL 33 5.313 -5.973 -3.764 200 HG22 VAL 33 2HG2 VAL 33 6.278 -7.448 -3.694 201 HG23 VAL 33 3HG2 VAL 33 6.666 -6.089 -2.639 202 H SER 34 H SER 34 6.898 -4.568 -7.856 203 HA SER 34 HA SER 34 4.284 -4.631 -8.769 204 HB3 SER 34 2HB SER 34 6.924 -5.375 -9.936 205 HG SER 34 HG SER 34 5.310 -5.679 -11.902 Start of MODEL 20 1 H1 SER 1 H SER 1 -11.667 14.867 -15.711 2 HA SER 1 HA SER 1 -9.133 15.942 -14.657 3 HB3 SER 1 2HB SER 1 -10.515 15.304 -12.820 4 HG SER 1 HG SER 1 -10.824 12.668 -13.654 5 H GLN 2 H GLN 2 -7.318 14.455 -14.561 6 HA GLN 2 HA GLN 2 -7.429 12.401 -16.671 7 HB3 GLN 2 2HB GLN 2 -4.901 12.966 -16.878 8 HG3 GLN 2 2HG GLN 2 -6.488 15.268 -17.850 9 HE21 GLN 2 1HE2 GLN 2 -5.205 16.281 -19.198 10 HE22 GLN 2 2HE2 GLN 2 -3.970 15.568 -20.172 11 H GLU 3 H GLU 3 -5.056 13.356 -14.191 12 HA GLU 3 HA GLU 3 -5.193 10.614 -13.127 13 HB3 GLU 3 2HB GLU 3 -3.170 10.782 -14.446 14 HG3 GLU 3 2HG GLU 3 -1.944 12.833 -12.708 15 H GLN 4 H GLN 4 -3.771 10.637 -10.958 16 HA GLN 4 HA GLN 4 -4.456 13.032 -9.408 17 HB3 GLN 4 2HB GLN 4 -6.241 11.357 -9.075 18 HG3 GLN 4 2HG GLN 4 -4.464 9.617 -7.482 19 HE21 GLN 4 1HE2 GLN 4 -6.502 9.357 -6.416 20 HE22 GLN 4 2HE2 GLN 4 -7.718 8.342 -7.108 21 H ARG 5 H ARG 5 -3.597 12.367 -6.959 22 HA ARG 5 HA ARG 5 -0.727 12.126 -7.362 23 HB3 ARG 5 2HB ARG 5 -2.290 12.754 -4.853 24 HG3 ARG 5 2HG ARG 5 0.157 11.939 -4.669 25 HD3 ARG 5 2HD ARG 5 1.406 14.380 -4.789 26 HE ARG 5 HE ARG 5 1.774 12.757 -7.131 27 HH11 ARG 5 1HH1 ARG 5 2.377 13.029 -3.713 28 HH12 ARG 5 2HH1 ARG 5 3.763 11.991 -3.742 29 HH21 ARG 5 1HH2 ARG 5 3.598 11.387 -7.183 30 HH22 ARG 5 2HH2 ARG 5 4.457 11.058 -5.717 31 H GLN 6 H GLN 6 0.259 10.233 -7.197 32 HA GLN 6 HA GLN 6 -1.024 7.915 -6.163 33 HB3 GLN 6 2HB GLN 6 1.199 6.833 -6.538 34 HG3 GLN 6 2HG GLN 6 -0.542 7.814 -8.474 35 HE21 GLN 6 1HE2 GLN 6 0.938 7.154 -10.840 36 HE22 GLN 6 2HE2 GLN 6 1.843 8.559 -11.281 37 H CYS 7 H CYS 7 -0.350 6.609 -4.384 38 HA CYS 7 HA CYS 7 0.499 8.215 -2.104 39 HB3 CYS 7 2HB CYS 7 -0.446 6.557 -0.729 40 H LYS 8 H LYS 8 1.329 5.066 -3.554 41 HA LYS 8 HA LYS 8 4.130 5.508 -3.098 42 HB3 LYS 8 2HB LYS 8 4.167 3.191 -1.809 43 HG3 LYS 8 2HG LYS 8 4.535 5.799 -1.016 44 HD3 LYS 8 2HD LYS 8 2.085 5.008 0.092 45 HE3 LYS 8 2HE LYS 8 3.681 3.699 1.665 46 HZ1 LYS 8 1HZ LYS 8 4.820 4.851 3.251 47 HZ2 LYS 8 2HZ LYS 8 3.854 6.234 3.126 48 HZ3 LYS 8 3HZ LYS 8 5.019 5.908 1.945 49 H LYS 9 H LYS 9 4.690 5.014 -5.136 50 HA LYS 9 HA LYS 9 3.509 2.781 -6.535 51 HB3 LYS 9 2HB LYS 9 4.910 3.466 -8.405 52 HG3 LYS 9 2HG LYS 9 4.335 6.182 -7.638 53 HD3 LYS 9 2HD LYS 9 2.673 5.943 -9.480 54 HE3 LYS 9 2HE LYS 9 5.258 4.691 -10.343 55 HZ1 LYS 9 1HZ LYS 9 3.265 5.572 -11.811 56 HZ2 LYS 9 2HZ LYS 9 4.876 5.730 -12.301 57 HZ3 LYS 9 3HZ LYS 9 4.072 7.043 -11.600 58 H ILE 10 H ILE 10 5.467 1.628 -7.950 59 HA ILE 10 HA ILE 10 6.561 -0.254 -6.181 60 HB ILE 10 HB ILE 10 7.482 0.346 -8.994 61 HG13 ILE 10 2HG1 ILE 10 5.919 -1.477 -9.639 62 HG21 ILE 10 1HG2 ILE 10 8.141 -1.731 -7.019 63 HG22 ILE 10 2HG2 ILE 10 7.793 -2.318 -8.645 64 HG23 ILE 10 3HG2 ILE 10 9.072 -1.129 -8.392 65 HD11 ILE 10 1HD1 ILE 10 4.635 -2.632 -8.233 66 HD12 ILE 10 2HD1 ILE 10 5.763 -2.095 -6.988 67 HD13 ILE 10 3HD1 ILE 10 4.260 -1.212 -7.258 68 H GLY 11 H GLY 11 8.248 -0.112 -4.864 69 HA2 GLY 11 2HA GLY 11 10.612 0.221 -4.553 70 HA3 GLY 11 3HA GLY 11 10.522 1.580 -5.665 71 H GLU 12 H GLU 12 7.859 1.759 -3.731 72 HA GLU 12 HA GLU 12 9.075 3.867 -2.135 73 HB3 GLU 12 2HB GLU 12 6.694 4.328 -1.464 74 HG3 GLU 12 2HG GLU 12 6.102 5.449 -3.387 75 H HIS 13 H HIS 13 8.057 4.052 0.174 76 HA HIS 13 HA HIS 13 8.564 1.481 1.499 77 HB3 HIS 13 2HB HIS 13 8.545 4.228 2.760 78 HD1 HIS 13 1HD HIS 13 7.695 3.306 5.009 79 HD2 HIS 13 2HD HIS 13 11.097 1.395 3.582 80 HE1 HIS 13 1HE HIS 13 8.556 1.940 6.937 81 H CYS 14 H CYS 14 7.143 0.612 2.966 82 HA CYS 14 HA CYS 14 4.842 1.983 3.929 83 HB3 CYS 14 2HB CYS 14 3.900 1.718 1.773 84 H TYR 15 H TYR 15 3.774 0.837 5.536 85 HA TYR 15 HA TYR 15 5.229 -1.468 6.541 86 HB3 TYR 15 2HB TYR 15 3.789 -1.165 8.557 87 HD1 TYR 15 1HD TYR 15 3.923 2.338 7.780 88 HD2 TYR 15 2HD TYR 15 6.271 -0.981 9.036 89 HE1 TYR 15 1HE TYR 15 5.642 3.881 8.624 90 HE2 TYR 15 2HE TYR 15 7.996 0.554 9.885 91 HH TYR 15 HH TYR 15 8.314 2.784 10.545 92 H VAL 16 H VAL 16 2.087 -0.668 5.216 93 HA VAL 16 HA VAL 16 1.462 -3.538 5.118 94 HB VAL 16 HB VAL 16 -0.958 -2.941 5.481 95 HG11 VAL 16 1HG1 VAL 16 -0.781 -3.401 7.697 96 HG12 VAL 16 2HG1 VAL 16 0.895 -3.709 7.240 97 HG13 VAL 16 3HG1 VAL 16 0.449 -2.167 7.969 98 HG21 VAL 16 1HG2 VAL 16 -0.124 -0.476 6.896 99 HG22 VAL 16 2HG2 VAL 16 -0.237 -0.394 5.138 100 HG23 VAL 16 3HG2 VAL 16 -1.645 -0.862 6.092 101 H ALA 17 H ALA 17 -0.573 -3.827 3.631 102 HA ALA 17 HA ALA 17 0.176 -2.911 1.051 103 HB1 ALA 17 1HB ALA 17 -2.116 -4.513 2.117 104 HB2 ALA 17 2HB ALA 17 -2.100 -3.973 0.438 105 HB3 ALA 17 3HB ALA 17 -0.808 -5.010 1.043 106 H ASP 18 H ASP 18 -2.467 -2.073 3.256 107 HA ASP 18 HA ASP 18 -3.925 -0.390 1.598 108 HB3 ASP 18 2HB ASP 18 -3.537 0.284 4.496 109 H GLU 19 H GLU 19 -0.961 0.209 3.370 110 HA GLU 19 HA GLU 19 -0.910 3.011 3.177 111 HB3 GLU 19 2HB GLU 19 1.749 2.187 3.036 112 HG3 GLU 19 2HG GLU 19 0.700 3.789 4.655 113 H CYS 20 H CYS 20 -0.073 0.495 0.901 114 HA CYS 20 HA CYS 20 1.092 2.401 -0.966 115 HB3 CYS 20 2HB CYS 20 0.761 -0.154 -2.167 116 H CYS 21 H CYS 21 0.003 3.344 -2.562 117 HA CYS 21 HA CYS 21 -2.776 3.151 -2.825 118 HB3 CYS 21 2HB CYS 21 -1.715 4.089 -5.285 119 H SER 22 H SER 22 -0.193 1.385 -4.353 120 HA SER 22 HA SER 22 -1.903 0.240 -6.385 121 HB3 SER 22 2HB SER 22 0.938 -0.455 -5.594 122 HG SER 22 HG SER 22 0.691 -1.136 -7.994 123 H LYS 23 H LYS 23 -1.117 -0.409 -3.144 124 HA LYS 23 HA LYS 23 -1.711 -2.071 -1.708 125 HB3 LYS 23 2HB LYS 23 -3.591 -3.479 -2.254 126 HG3 LYS 23 2HG LYS 23 -4.859 -1.514 -3.766 127 HD3 LYS 23 2HD LYS 23 -4.582 -1.587 -0.764 128 HE3 LYS 23 2HE LYS 23 -6.502 -0.396 -2.699 129 HZ1 LYS 23 1HZ LYS 23 -7.267 -1.881 -0.324 130 HZ2 LYS 23 2HZ LYS 23 -8.179 -1.477 -1.689 131 HZ3 LYS 23 3HZ LYS 23 -7.940 -0.336 -0.465 132 H ARG 24 H ARG 24 0.690 -2.400 -2.944 133 HA ARG 24 HA ARG 24 0.815 -5.321 -3.281 134 HB3 ARG 24 2HB ARG 24 2.971 -4.421 -4.723 135 HG3 ARG 24 2HG ARG 24 1.722 -4.980 -6.745 136 HD3 ARG 24 2HD ARG 24 0.870 -6.890 -4.589 137 HE ARG 24 HE ARG 24 2.058 -7.903 -6.987 138 HH11 ARG 24 1HH1 ARG 24 -0.901 -6.741 -5.568 139 HH12 ARG 24 2HH1 ARG 24 -1.922 -7.613 -6.664 140 HH21 ARG 24 1HH2 ARG 24 0.724 -9.057 -8.435 141 HH22 ARG 24 2HH2 ARG 24 -0.996 -8.930 -8.294 142 H CYS 25 H CYS 25 1.200 -3.709 -0.910 143 HA CYS 25 HA CYS 25 4.071 -3.664 -0.463 144 HB3 CYS 25 2HB CYS 25 2.025 -3.191 1.680 145 H LEU 26 H LEU 26 5.130 -4.874 1.158 146 HA LEU 26 HA LEU 26 3.671 -7.224 2.152 147 HB3 LEU 26 2HB LEU 26 6.481 -7.331 1.078 148 HG LEU 26 HG LEU 26 5.603 -9.179 2.673 149 HD11 LEU 26 1HD1 LEU 26 4.386 -10.254 0.160 150 HD12 LEU 26 2HD1 LEU 26 3.431 -9.284 1.280 151 HD13 LEU 26 3HD1 LEU 26 4.168 -10.790 1.826 152 HD21 LEU 26 1HD2 LEU 26 7.568 -9.121 0.904 153 HD22 LEU 26 2HD2 LEU 26 6.555 -10.320 0.099 154 HD23 LEU 26 3HD2 LEU 26 7.122 -10.605 1.746 155 H PHE 27 H PHE 27 4.477 -8.134 4.088 156 HA PHE 27 HA PHE 27 5.493 -6.244 5.935 157 HB3 PHE 27 2HB PHE 27 5.731 -8.400 7.387 158 HD1 PHE 27 1HD PHE 27 2.808 -7.606 5.202 159 HD2 PHE 27 2HD PHE 27 4.375 -7.874 9.149 160 HE1 PHE 27 1HE PHE 27 0.644 -6.862 6.107 161 HE2 PHE 27 2HE PHE 27 2.214 -7.132 10.061 162 HZ PHE 27 HZ PHE 27 0.345 -6.625 8.539 163 H TYR 28 H TYR 28 6.974 -8.710 3.968 164 HA TYR 28 HA TYR 28 9.506 -8.557 5.373 165 HB3 TYR 28 2HB TYR 28 10.273 -10.145 3.601 166 HD1 TYR 28 1HD TYR 28 6.795 -11.190 3.851 167 HD2 TYR 28 2HD TYR 28 10.589 -11.253 5.775 168 HE1 TYR 28 1HE TYR 28 6.012 -12.999 5.323 169 HE2 TYR 28 2HE TYR 28 9.817 -13.063 7.252 170 HH TYR 28 HH TYR 28 6.531 -13.973 7.478 171 H ALA 29 H ALA 29 8.288 -7.779 2.120 172 HA ALA 29 HA ALA 29 10.691 -6.556 1.240 173 HB1 ALA 29 1HB ALA 29 8.299 -7.316 0.066 174 HB2 ALA 29 2HB ALA 29 8.320 -5.558 -0.093 175 HB3 ALA 29 3HB ALA 29 9.655 -6.518 -0.731 176 H ALA 30 H ALA 30 7.712 -5.301 2.674 177 HA ALA 30 HA ALA 30 7.209 -3.306 3.646 178 HB1 ALA 30 1HB ALA 30 9.872 -3.835 4.335 179 HB2 ALA 30 2HB ALA 30 9.820 -2.133 3.874 180 HB3 ALA 30 3HB ALA 30 8.749 -2.738 5.140 181 H LYS 31 H LYS 31 8.138 -3.620 0.645 182 HA LYS 31 HA LYS 31 7.743 -0.786 0.036 183 HB3 LYS 31 2HB LYS 31 10.073 -2.468 -0.812 184 HG3 LYS 31 2HG LYS 31 10.447 -0.350 -2.379 185 HD3 LYS 31 2HD LYS 31 9.391 -1.784 -4.245 186 HE3 LYS 31 2HE LYS 31 11.241 -3.529 -2.772 187 HZ1 LYS 31 1HZ LYS 31 11.115 -3.902 -5.047 188 HZ2 LYS 31 2HZ LYS 31 12.545 -3.013 -4.883 189 HZ3 LYS 31 3HZ LYS 31 11.136 -2.256 -5.433 190 H CYS 32 H CYS 32 6.540 -0.404 -1.772 191 HA CYS 32 HA CYS 32 4.788 -2.315 -2.719 192 HB3 CYS 32 2HB CYS 32 5.180 -0.445 -4.818 193 H VAL 33 H VAL 33 5.215 -4.133 -3.767 194 HA VAL 33 HA VAL 33 7.327 -4.109 -5.825 195 HB VAL 33 HB VAL 33 7.309 -6.662 -5.410 196 HG11 VAL 33 1HG1 VAL 33 9.301 -6.151 -4.576 197 HG12 VAL 33 2HG1 VAL 33 8.751 -4.506 -4.250 198 HG13 VAL 33 3HG1 VAL 33 8.555 -5.762 -3.026 199 HG21 VAL 33 1HG2 VAL 33 6.631 -6.145 -2.605 200 HG22 VAL 33 2HG2 VAL 33 5.264 -6.056 -3.716 201 HG23 VAL 33 3HG2 VAL 33 6.238 -7.523 -3.633 202 H SER 34 H SER 34 6.803 -4.701 -7.845 203 HA SER 34 HA SER 34 4.180 -4.787 -8.730 204 HB3 SER 34 2HB SER 34 6.759 -5.736 -9.959 205 HG SER 34 HG SER 34 5.716 -6.609 -11.561
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