![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
647890 |
6k59 ![]() ![]() |
36258 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -6.141 -24.002 6.992 2 H2 GLY 1 H2 GLY 1 -7.367 -24.853 7.679 3 H3 GLY 1 H3 GLY 1 -7.154 -23.281 8.073 4 HA2 GLY 1 HA2 GLY 1 -8.054 -24.346 5.481 5 HA3 GLY 1 HA3 GLY 1 -8.996 -23.358 6.617 6 H ILE 2 H ILE 2 -8.840 -22.548 4.011 7 HA ILE 2 HA ILE 2 -6.565 -21.138 3.224 8 HB ILE 2 HB ILE 2 -8.083 -21.849 1.645 9 HG12 ILE 2 HG12 ILE 2 -6.805 -19.680 1.224 10 HG13 ILE 2 HG13 ILE 2 -8.054 -20.188 0.110 11 HG21 ILE 2 HG21 ILE 2 -10.256 -20.033 2.747 12 HG22 ILE 2 HG22 ILE 2 -10.341 -20.961 1.241 13 HG23 ILE 2 HG23 ILE 2 -10.225 -21.809 2.779 14 HD11 ILE 2 HD11 ILE 2 -8.422 -17.975 2.169 15 HD12 ILE 2 HD12 ILE 2 -8.108 -17.782 0.443 16 HD13 ILE 2 HD13 ILE 2 -9.623 -18.512 0.980 17 H VAL 3 H VAL 3 -9.443 -19.607 4.831 18 HA VAL 3 HA VAL 3 -8.141 -17.018 4.647 19 HB VAL 3 HB VAL 3 -10.497 -17.799 6.351 20 HG11 VAL 3 HG11 VAL 3 -9.420 -15.050 5.637 21 HG12 VAL 3 HG12 VAL 3 -10.999 -15.366 6.389 22 HG13 VAL 3 HG13 VAL 3 -9.514 -15.762 7.260 23 HG21 VAL 3 HG21 VAL 3 -11.012 -18.113 4.012 24 HG22 VAL 3 HG22 VAL 3 -11.798 -16.636 4.566 25 HG23 VAL 3 HG23 VAL 3 -10.302 -16.549 3.604 26 H GLU 4 H GLU 4 -8.056 -19.543 7.162 27 HA GLU 4 HA GLU 4 -6.655 -17.986 9.173 28 HB2 GLU 4 HB2 GLU 4 -6.641 -20.937 8.484 29 HB3 GLU 4 HB3 GLU 4 -5.672 -20.282 9.784 30 HG2 GLU 4 HG2 GLU 4 -7.360 -20.125 11.230 31 HG3 GLU 4 HG3 GLU 4 -8.433 -19.394 10.063 32 H GLN 5 H GLN 5 -5.510 -19.978 6.411 33 HA GLN 5 HA GLN 5 -2.727 -19.444 6.693 34 HB2 GLN 5 HB2 GLN 5 -3.553 -21.260 5.331 35 HB3 GLN 5 HB3 GLN 5 -4.477 -20.172 4.321 36 HG2 GLN 5 HG2 GLN 5 -2.589 -20.855 3.067 37 HG3 GLN 5 HG3 GLN 5 -2.392 -19.156 3.443 38 HE21 GLN 5 HE21 GLN 5 0.939 -20.178 4.228 39 HE22 GLN 5 HE22 GLN 5 -0.109 -19.235 3.156 40 H CYS 6 H CYS 6 -5.261 -17.574 4.898 41 HA CYS 6 HA CYS 6 -3.421 -15.588 3.942 42 HB2 CYS 6 HB2 CYS 6 -6.390 -15.285 4.493 43 HB3 CYS 6 HB3 CYS 6 -5.392 -14.218 3.531 44 H CYS 7 H CYS 7 -5.284 -15.759 7.025 45 HA CYS 7 HA CYS 7 -4.693 -13.108 7.914 46 HB2 CYS 7 HB2 CYS 7 -5.103 -15.638 9.544 47 HB3 CYS 7 HB3 CYS 7 -5.170 -14.005 10.175 48 H THR 8 H THR 8 -2.816 -16.170 8.262 49 HA THR 8 HA THR 8 -0.760 -14.836 9.904 50 HB THR 8 HB THR 8 0.230 -17.076 10.064 51 HG1 THR 8 HG1 THR 8 -0.862 -18.819 9.182 52 HG21 THR 8 HG21 THR 8 -2.769 -17.117 10.617 53 HG22 THR 8 HG22 THR 8 -1.531 -18.143 11.370 54 HG23 THR 8 HG23 THR 8 -1.533 -16.397 11.673 55 H SER 9 H SER 9 -0.996 -16.065 6.583 56 HA SER 9 HA SER 9 1.854 -15.367 5.998 57 HB2 SER 9 HB2 SER 9 0.455 -18.061 5.797 58 HB3 SER 9 HB3 SER 9 2.019 -17.715 5.038 59 HG SER 9 HG SER 9 2.201 -18.707 7.118 60 H ILE 10 H ILE 10 2.263 -16.293 3.600 61 HA ILE 10 HA ILE 10 0.728 -14.767 1.734 62 HB ILE 10 HB ILE 10 1.947 -16.276 0.020 63 HG12 ILE 10 HG12 ILE 10 4.051 -17.260 0.733 64 HG13 ILE 10 HG13 ILE 10 3.658 -17.025 2.430 65 HG21 ILE 10 HG21 ILE 10 3.504 -14.516 1.957 66 HG22 ILE 10 HG22 ILE 10 3.974 -14.919 0.291 67 HG23 ILE 10 HG23 ILE 10 2.524 -13.954 0.584 68 HD11 ILE 10 HD11 ILE 10 2.033 -18.776 0.528 69 HD12 ILE 10 HD12 ILE 10 3.348 -19.367 1.565 70 HD13 ILE 10 HD13 ILE 10 1.898 -18.687 2.305 71 H CYS 11 H CYS 11 -0.521 -15.502 -0.099 72 HA CYS 11 HA CYS 11 -2.172 -17.896 0.344 73 HB2 CYS 11 HB2 CYS 11 -2.896 -15.451 1.577 74 HB3 CYS 11 HB3 CYS 11 -3.922 -15.562 0.152 75 H SER 12 H SER 12 -2.924 -18.686 -1.498 76 HA SER 12 HA SER 12 -2.793 -17.077 -4.019 77 HB2 SER 12 HB2 SER 12 -1.600 -19.835 -3.532 78 HB3 SER 12 HB3 SER 12 -1.607 -18.958 -5.073 79 HG SER 12 HG SER 12 0.376 -18.740 -3.897 80 H LEU 13 H LEU 13 -3.842 -18.143 -5.887 81 HA LEU 13 HA LEU 13 -6.491 -19.003 -5.229 82 HB2 LEU 13 HB2 LEU 13 -4.973 -19.009 -7.875 83 HB3 LEU 13 HB3 LEU 13 -6.663 -19.451 -7.686 84 HG LEU 13 HG LEU 13 -7.008 -17.116 -6.606 85 HD11 LEU 13 HD11 LEU 13 -4.388 -16.618 -8.092 86 HD12 LEU 13 HD12 LEU 13 -5.512 -15.352 -7.560 87 HD13 LEU 13 HD13 LEU 13 -4.695 -16.340 -6.359 88 HD21 LEU 13 HD21 LEU 13 -7.899 -17.795 -8.790 89 HD22 LEU 13 HD22 LEU 13 -7.359 -16.113 -8.821 90 HD23 LEU 13 HD23 LEU 13 -6.353 -17.378 -9.565 91 H TYR 14 H TYR 14 -3.582 -20.897 -5.717 92 HA TYR 14 HA TYR 14 -4.759 -23.480 -6.034 93 HB2 TYR 14 HB2 TYR 14 -2.383 -23.028 -6.329 94 HB3 TYR 14 HB3 TYR 14 -2.223 -22.541 -4.647 95 HD1 TYR 14 HD1 TYR 14 -1.324 -24.107 -3.153 96 HD2 TYR 14 HD2 TYR 14 -3.398 -25.505 -6.674 97 HE1 TYR 14 HE1 TYR 14 -0.730 -26.451 -2.572 98 HE2 TYR 14 HE2 TYR 14 -2.806 -27.855 -6.082 99 HH TYR 14 HH TYR 14 -0.846 -28.656 -3.188 100 H GLN 15 H GLN 15 -4.326 -21.464 -3.094 101 HA GLN 15 HA GLN 15 -5.385 -23.557 -1.327 102 HB2 GLN 15 HB2 GLN 15 -4.684 -20.637 -0.877 103 HB3 GLN 15 HB3 GLN 15 -5.422 -21.643 0.360 104 HG2 GLN 15 HG2 GLN 15 -2.782 -22.329 -1.001 105 HG3 GLN 15 HG3 GLN 15 -2.924 -21.448 0.514 106 HE21 GLN 15 HE21 GLN 15 -2.318 -24.891 1.592 107 HE22 GLN 15 HE22 GLN 15 -1.424 -23.567 0.861 108 H LEU 16 H LEU 16 -6.803 -20.998 -3.306 109 HA LEU 16 HA LEU 16 -9.437 -21.242 -2.045 110 HB2 LEU 16 HB2 LEU 16 -8.738 -20.414 -4.889 111 HB3 LEU 16 HB3 LEU 16 -10.339 -20.381 -4.180 112 HG LEU 16 HG LEU 16 -7.979 -18.719 -3.212 113 HD11 LEU 16 HD11 LEU 16 -10.477 -17.964 -4.795 114 HD12 LEU 16 HD12 LEU 16 -9.220 -16.845 -4.222 115 HD13 LEU 16 HD13 LEU 16 -8.831 -18.062 -5.449 116 HD21 LEU 16 HD21 LEU 16 -9.599 -19.150 -1.390 117 HD22 LEU 16 HD22 LEU 16 -9.703 -17.472 -1.929 118 HD23 LEU 16 HD23 LEU 16 -10.934 -18.647 -2.441 119 H GLU 17 H GLU 17 -7.998 -22.753 -5.016 120 HA GLU 17 HA GLU 17 -10.146 -24.572 -5.432 121 HB2 GLU 17 HB2 GLU 17 -7.199 -24.781 -6.165 122 HB3 GLU 17 HB3 GLU 17 -8.436 -25.880 -6.761 123 HG2 GLU 17 HG2 GLU 17 -8.308 -22.883 -7.269 124 HG3 GLU 17 HG3 GLU 17 -7.907 -24.156 -8.412 125 H ASN 18 H ASN 18 -7.635 -24.802 -3.024 126 HA ASN 18 HA ASN 18 -7.778 -27.584 -2.434 127 HB2 ASN 18 HB2 ASN 18 -6.096 -25.821 -1.657 128 HB3 ASN 18 HB3 ASN 18 -7.308 -25.284 -0.493 129 HD21 ASN 18 HD21 ASN 18 -5.323 -27.428 1.564 130 HD22 ASN 18 HD22 ASN 18 -5.423 -25.773 0.969 131 H TYR 19 H TYR 19 -10.102 -25.024 -1.779 132 HA TYR 19 HA TYR 19 -11.856 -26.981 -0.336 133 HB2 TYR 19 HB2 TYR 19 -11.575 -24.083 0.487 134 HB3 TYR 19 HB3 TYR 19 -12.468 -25.362 1.294 135 HD1 TYR 19 HD1 TYR 19 -11.149 -27.322 2.349 136 HD2 TYR 19 HD2 TYR 19 -9.297 -23.674 0.998 137 HE1 TYR 19 HE1 TYR 19 -9.204 -27.763 3.835 138 HE2 TYR 19 HE2 TYR 19 -7.333 -24.125 2.476 139 HH TYR 19 HH TYR 19 -7.125 -27.051 4.520 140 H CYS 20 H CYS 20 -11.716 -24.082 -2.378 141 HA CYS 20 HA CYS 20 -14.554 -23.999 -2.971 142 HB2 CYS 20 HB2 CYS 20 -13.074 -22.006 -3.189 143 HB3 CYS 20 HB3 CYS 20 -12.174 -22.838 -4.462 144 H GLY 21 H GLY 21 -14.716 -26.355 -3.236 145 HA2 GLY 21 HA2 GLY 21 -13.562 -27.838 -5.400 146 HA3 GLY 21 HA3 GLY 21 -15.010 -28.281 -4.494 147 H1 PHE 1 H1 PHE 1 -7.110 -9.317 -3.367 148 H2 PHE 1 H2 PHE 1 -8.531 -9.857 -3.960 149 H3 PHE 1 H3 PHE 1 -7.162 -10.070 -4.828 150 HA PHE 1 HA PHE 1 -7.739 -11.275 -2.204 151 HB2 PHE 1 HB2 PHE 1 -9.191 -12.367 -3.716 152 HB3 PHE 1 HB3 PHE 1 -7.950 -12.505 -4.959 153 HD1 PHE 1 HD1 PHE 1 -6.836 -14.573 -5.190 154 HD2 PHE 1 HD2 PHE 1 -8.496 -13.503 -1.352 155 HE1 PHE 1 HE1 PHE 1 -6.015 -16.701 -4.229 156 HE2 PHE 1 HE2 PHE 1 -7.668 -15.637 -0.402 157 HZ PHE 1 HZ PHE 1 -6.408 -17.236 -1.833 158 H VAL 2 H VAL 2 -5.511 -11.890 -5.026 159 HA VAL 2 HA VAL 2 -4.014 -13.688 -3.581 160 HB VAL 2 HB VAL 2 -4.062 -13.524 -5.999 161 HG11 VAL 2 HG11 VAL 2 -2.058 -11.237 -5.791 162 HG12 VAL 2 HG12 VAL 2 -2.630 -12.031 -7.268 163 HG13 VAL 2 HG13 VAL 2 -3.750 -11.066 -6.299 164 HG21 VAL 2 HG21 VAL 2 -2.290 -14.837 -4.858 165 HG22 VAL 2 HG22 VAL 2 -1.793 -14.222 -6.442 166 HG23 VAL 2 HG23 VAL 2 -1.205 -13.432 -4.968 167 H ASN 3 H ASN 3 -2.372 -13.779 -2.238 168 HA ASN 3 HA ASN 3 -1.045 -13.128 -0.532 169 HB2 ASN 3 HB2 ASN 3 0.232 -11.809 -2.946 170 HB3 ASN 3 HB3 ASN 3 1.055 -11.994 -1.396 171 HD21 ASN 3 HD21 ASN 3 1.402 -15.057 -3.774 172 HD22 ASN 3 HD22 ASN 3 1.234 -13.376 -4.264 173 H GLN 4 H GLN 4 -3.263 -11.670 -0.147 174 HA GLN 4 HA GLN 4 -2.015 -9.531 1.455 175 HB2 GLN 4 HB2 GLN 4 -3.710 -7.906 1.063 176 HB3 GLN 4 HB3 GLN 4 -2.991 -8.365 -0.464 177 HG2 GLN 4 HG2 GLN 4 -5.230 -10.095 -0.158 178 HG3 GLN 4 HG3 GLN 4 -5.780 -8.563 0.484 179 HE21 GLN 4 HE21 GLN 4 -4.607 -8.273 -3.467 180 HE22 GLN 4 HE22 GLN 4 -3.577 -9.211 -2.404 181 H HIS 5 H HIS 5 -2.990 -9.111 3.420 182 HA HIS 5 HA HIS 5 -3.918 -11.629 4.511 183 HB2 HIS 5 HB2 HIS 5 -2.872 -9.189 5.963 184 HB3 HIS 5 HB3 HIS 5 -2.990 -10.833 6.590 185 HD2 HIS 5 HD2 HIS 5 -1.045 -12.530 5.998 186 HE1 HIS 5 HE1 HIS 5 1.290 -9.985 3.492 187 HE2 HIS 5 HE2 HIS 5 1.229 -12.227 4.698 188 H LEU 6 H LEU 6 -6.080 -10.127 3.318 189 HA LEU 6 HA LEU 6 -7.729 -8.945 5.352 190 HB2 LEU 6 HB2 LEU 6 -7.853 -8.700 2.808 191 HB3 LEU 6 HB3 LEU 6 -8.656 -10.256 2.759 192 HG LEU 6 HG LEU 6 -10.102 -8.240 2.558 193 HD11 LEU 6 HD11 LEU 6 -10.845 -9.915 4.979 194 HD12 LEU 6 HD12 LEU 6 -11.922 -8.929 3.981 195 HD13 LEU 6 HD13 LEU 6 -11.123 -10.329 3.267 196 HD21 LEU 6 HD21 LEU 6 -8.908 -6.800 4.204 197 HD22 LEU 6 HD22 LEU 6 -10.666 -6.841 4.415 198 HD23 LEU 6 HD23 LEU 6 -9.630 -7.759 5.520 199 H CYS 7 H CYS 7 -9.034 -9.864 6.852 200 HA CYS 7 HA CYS 7 -8.945 -12.840 7.106 201 HB2 CYS 7 HB2 CYS 7 -7.041 -11.630 8.140 202 HB3 CYS 7 HB3 CYS 7 -8.175 -10.709 9.118 203 H GLY 8 H GLY 8 -10.366 -13.788 8.690 204 HA2 GLY 8 HA2 GLY 8 -12.406 -14.095 9.773 205 HA3 GLY 8 HA3 GLY 8 -12.683 -12.360 9.746 206 H SER 9 H SER 9 -14.928 -13.373 9.336 207 HA SER 9 HA SER 9 -15.501 -14.715 6.950 208 HB2 SER 9 HB2 SER 9 -17.817 -14.428 7.395 209 HB3 SER 9 HB3 SER 9 -16.973 -14.683 8.921 210 HG SER 9 HG SER 9 -18.165 -12.339 7.865 211 H HIS 10 H HIS 10 -14.813 -11.333 7.076 212 HA HIS 10 HA HIS 10 -16.311 -10.599 4.706 213 HB2 HIS 10 HB2 HIS 10 -13.927 -9.440 6.140 214 HB3 HIS 10 HB3 HIS 10 -14.331 -8.897 4.509 215 HD2 HIS 10 HD2 HIS 10 -15.960 -9.046 8.039 216 HE1 HIS 10 HE1 HIS 10 -18.359 -6.449 5.652 217 HE2 HIS 10 HE2 HIS 10 -18.017 -7.399 7.990 218 H LEU 11 H LEU 11 -13.335 -12.521 5.081 219 HA LEU 11 HA LEU 11 -13.060 -12.554 2.148 220 HB2 LEU 11 HB2 LEU 11 -11.052 -12.536 3.598 221 HB3 LEU 11 HB3 LEU 11 -11.476 -14.138 4.175 222 HG LEU 11 HG LEU 11 -11.116 -15.107 1.976 223 HD11 LEU 11 HD11 LEU 11 -10.698 -12.267 0.940 224 HD12 LEU 11 HD12 LEU 11 -10.308 -13.757 0.046 225 HD13 LEU 11 HD13 LEU 11 -11.975 -13.408 0.447 226 HD21 LEU 11 HD21 LEU 11 -9.081 -14.581 3.366 227 HD22 LEU 11 HD22 LEU 11 -8.757 -14.639 1.629 228 HD23 LEU 11 HD23 LEU 11 -8.897 -13.075 2.457 229 H VAL 12 H VAL 12 -14.804 -14.429 4.526 230 HA VAL 12 HA VAL 12 -15.372 -16.707 2.755 231 HB VAL 12 HB VAL 12 -16.900 -15.584 5.138 232 HG11 VAL 12 HG11 VAL 12 -17.496 -18.098 3.542 233 HG12 VAL 12 HG12 VAL 12 -18.194 -17.688 5.122 234 HG13 VAL 12 HG13 VAL 12 -18.546 -16.678 3.726 235 HG21 VAL 12 HG21 VAL 12 -14.720 -16.675 5.660 236 HG22 VAL 12 HG22 VAL 12 -16.116 -17.548 6.309 237 HG23 VAL 12 HG23 VAL 12 -15.304 -18.144 4.848 238 H GLU 13 H GLU 13 -16.988 -13.614 3.539 239 HA GLU 13 HA GLU 13 -19.121 -13.883 1.647 240 HB2 GLU 13 HB2 GLU 13 -17.884 -11.478 3.031 241 HB3 GLU 13 HB3 GLU 13 -19.367 -11.405 2.069 242 HG2 GLU 13 HG2 GLU 13 -20.573 -12.784 3.583 243 HG3 GLU 13 HG3 GLU 13 -19.126 -13.375 4.378 244 H ALA 14 H ALA 14 -15.910 -12.245 1.363 245 HA ALA 14 HA ALA 14 -16.328 -11.512 -1.396 246 HB1 ALA 14 HB1 ALA 14 -13.749 -11.767 0.190 247 HB2 ALA 14 HB2 ALA 14 -13.958 -10.927 -1.357 248 HB3 ALA 14 HB3 ALA 14 -14.777 -10.318 0.092 249 H LEU 15 H LEU 15 -15.250 -14.592 0.036 250 HA LEU 15 HA LEU 15 -13.985 -15.678 -2.265 251 HB2 LEU 15 HB2 LEU 15 -13.575 -16.786 -0.361 252 HB3 LEU 15 HB3 LEU 15 -15.185 -16.683 0.258 253 HG LEU 15 HG LEU 15 -14.292 -18.930 -0.113 254 HD11 LEU 15 HD11 LEU 15 -16.896 -18.378 -1.561 255 HD12 LEU 15 HD12 LEU 15 -16.365 -19.907 -0.831 256 HD13 LEU 15 HD13 LEU 15 -16.685 -18.501 0.192 257 HD21 LEU 15 HD21 LEU 15 -13.279 -18.476 -2.395 258 HD22 LEU 15 HD22 LEU 15 -14.171 -19.997 -2.186 259 HD23 LEU 15 HD23 LEU 15 -14.928 -18.658 -3.045 260 H TYR 16 H TYR 16 -17.477 -15.448 -1.520 261 HA TYR 16 HA TYR 16 -18.342 -16.723 -3.967 262 HB2 TYR 16 HB2 TYR 16 -19.760 -14.750 -2.150 263 HB3 TYR 16 HB3 TYR 16 -20.519 -15.648 -3.456 264 HD1 TYR 16 HD1 TYR 16 -20.668 -18.162 -3.368 265 HD2 TYR 16 HD2 TYR 16 -19.364 -15.804 -0.004 266 HE1 TYR 16 HE1 TYR 16 -20.967 -20.130 -1.875 267 HE2 TYR 16 HE2 TYR 16 -19.651 -17.778 1.491 268 HH TYR 16 HH TYR 16 -20.805 -20.944 0.262 269 H LEU 17 H LEU 17 -16.857 -13.674 -3.536 270 HA LEU 17 HA LEU 17 -17.801 -12.694 -6.194 271 HB2 LEU 17 HB2 LEU 17 -16.132 -11.258 -4.101 272 HB3 LEU 17 HB3 LEU 17 -16.837 -10.565 -5.552 273 HG LEU 17 HG LEU 17 -18.407 -11.622 -3.152 274 HD11 LEU 17 HD11 LEU 17 -17.915 -8.777 -4.113 275 HD12 LEU 17 HD12 LEU 17 -18.924 -9.270 -2.734 276 HD13 LEU 17 HD13 LEU 17 -17.175 -9.539 -2.688 277 HD21 LEU 17 HD21 LEU 17 -19.728 -11.857 -5.219 278 HD22 LEU 17 HD22 LEU 17 -20.358 -10.538 -4.228 279 HD23 LEU 17 HD23 LEU 17 -19.368 -10.171 -5.659 280 H VAL 18 H VAL 18 -15.119 -14.234 -4.654 281 HA VAL 18 HA VAL 18 -13.176 -13.431 -6.756 282 HB VAL 18 HB VAL 18 -12.866 -14.590 -3.982 283 HG11 VAL 18 HG11 VAL 18 -10.646 -14.038 -5.997 284 HG12 VAL 18 HG12 VAL 18 -10.434 -14.433 -4.274 285 HG13 VAL 18 HG13 VAL 18 -11.110 -15.632 -5.364 286 HG21 VAL 18 HG21 VAL 18 -13.288 -12.113 -4.223 287 HG22 VAL 18 HG22 VAL 18 -11.704 -12.486 -3.538 288 HG23 VAL 18 HG23 VAL 18 -11.847 -11.999 -5.244 289 H CYS 19 H CYS 19 -14.198 -16.541 -5.151 290 HA CYS 19 HA CYS 19 -12.956 -18.079 -7.334 291 HB2 CYS 19 HB2 CYS 19 -13.251 -18.827 -4.874 292 HB3 CYS 19 HB3 CYS 19 -14.926 -19.173 -5.326 293 H GLY 20 H GLY 20 -16.187 -17.016 -6.363 294 HA2 GLY 20 HA2 GLY 20 -17.853 -16.132 -7.621 295 HA3 GLY 20 HA3 GLY 20 -16.805 -16.304 -9.014 296 H GLU 21 H GLU 21 -16.708 -18.865 -9.674 297 HA GLU 21 HA GLU 21 -19.199 -18.751 -11.069 298 HB2 GLU 21 HB2 GLU 21 -17.881 -21.009 -12.082 299 HB3 GLU 21 HB3 GLU 21 -17.957 -19.387 -12.711 300 HG2 GLU 21 HG2 GLU 21 -15.715 -20.002 -12.765 301 HG3 GLU 21 HG3 GLU 21 -15.844 -18.815 -11.482 302 H ARG 22 H ARG 22 -17.834 -21.595 -9.410 303 HA ARG 22 HA ARG 22 -19.940 -23.330 -10.154 304 HB2 ARG 22 HB2 ARG 22 -17.705 -23.431 -8.119 305 HB3 ARG 22 HB3 ARG 22 -18.835 -24.776 -8.246 306 HG2 ARG 22 HG2 ARG 22 -18.186 -25.339 -10.418 307 HG3 ARG 22 HG3 ARG 22 -17.436 -23.772 -10.744 308 HD2 ARG 22 HD2 ARG 22 -16.373 -25.607 -8.571 309 HD3 ARG 22 HD3 ARG 22 -15.882 -25.795 -10.264 310 HE ARG 22 HE ARG 22 -15.568 -23.066 -9.631 311 HH11 ARG 22 HH11 ARG 22 -14.033 -25.938 -8.254 312 HH12 ARG 22 HH12 ARG 22 -12.463 -25.133 -8.276 313 HH21 ARG 22 HH21 ARG 22 -13.613 -22.240 -9.688 314 HH22 ARG 22 HH22 ARG 22 -12.256 -23.072 -8.909 315 H GLY 23 H GLY 23 -19.618 -21.623 -7.058 316 HA2 GLY 23 HA2 GLY 23 -21.040 -21.586 -5.175 317 HA3 GLY 23 HA3 GLY 23 -22.209 -22.621 -6.003 318 H PHE 24 H PHE 24 -19.993 -22.580 -3.551 319 HA PHE 24 HA PHE 24 -18.447 -24.896 -4.447 320 HB2 PHE 24 HB2 PHE 24 -17.524 -23.138 -2.232 321 HB3 PHE 24 HB3 PHE 24 -16.636 -23.866 -3.561 322 HD1 PHE 24 HD1 PHE 24 -17.946 -20.859 -2.261 323 HD2 PHE 24 HD2 PHE 24 -17.281 -22.900 -5.993 324 HE1 PHE 24 HE1 PHE 24 -18.129 -18.721 -3.463 325 HE2 PHE 24 HE2 PHE 24 -17.470 -20.731 -7.212 326 HZ PHE 24 HZ PHE 24 -17.972 -18.646 -5.938 327 H PHE 25 H PHE 25 -17.361 -26.332 -3.029 328 HA PHE 25 HA PHE 25 -19.055 -27.639 -1.110 329 HB2 PHE 25 HB2 PHE 25 -17.489 -28.762 -2.646 330 HB3 PHE 25 HB3 PHE 25 -16.123 -28.028 -1.824 331 HD1 PHE 25 HD1 PHE 25 -19.146 -30.167 -1.124 332 HD2 PHE 25 HD2 PHE 25 -15.028 -29.304 -0.165 333 HE1 PHE 25 HE1 PHE 25 -19.078 -32.150 0.370 334 HE2 PHE 25 HE2 PHE 25 -14.958 -31.307 1.304 335 HZ PHE 25 HZ PHE 25 -16.983 -32.722 1.586 336 H TYR 26 H TYR 26 -15.874 -26.064 -0.649 337 HA TYR 26 HA TYR 26 -14.809 -25.190 1.078 338 HB2 TYR 26 HB2 TYR 26 -16.315 -23.495 0.042 339 HB3 TYR 26 HB3 TYR 26 -17.410 -23.685 1.399 340 HD1 TYR 26 HD1 TYR 26 -13.818 -23.822 2.300 341 HD2 TYR 26 HD2 TYR 26 -17.130 -21.170 1.488 342 HE1 TYR 26 HE1 TYR 26 -12.604 -21.990 3.392 343 HE2 TYR 26 HE2 TYR 26 -15.858 -19.307 2.550 344 HH TYR 26 HH TYR 26 -12.599 -19.793 3.948 345 H THR 27 H THR 27 -14.476 -26.977 2.401 346 HA THR 27 HA THR 27 -16.341 -27.486 4.625 347 HB THR 27 HB THR 27 -15.743 -29.146 2.863 348 HG1 THR 27 HG1 THR 27 -15.776 -30.833 4.280 349 HG21 THR 27 HG21 THR 27 -13.143 -29.417 4.446 350 HG22 THR 27 HG22 THR 27 -13.705 -30.486 3.152 351 HG23 THR 27 HG23 THR 27 -13.284 -28.810 2.781 352 HA PRO 28 HA PRO 28 -12.220 -27.283 7.095 353 HB2 PRO 28 HB2 PRO 28 -10.612 -25.141 6.860 354 HB3 PRO 28 HB3 PRO 28 -10.635 -26.416 5.611 355 HG2 PRO 28 HG2 PRO 28 -12.162 -23.781 5.579 356 HG3 PRO 28 HG3 PRO 28 -11.095 -24.445 4.304 357 HD2 PRO 28 HD2 PRO 28 -13.824 -24.787 4.327 358 HD3 PRO 28 HD3 PRO 28 -12.705 -26.013 3.645 359 H LYS 29 H LYS 29 -14.453 -26.912 8.150 360 HA LYS 29 HA LYS 29 -16.076 -25.848 9.343 361 HB2 LYS 29 HB2 LYS 29 -14.078 -23.746 10.273 362 HB3 LYS 29 HB3 LYS 29 -15.651 -24.124 10.935 363 HG2 LYS 29 HG2 LYS 29 -14.424 -25.173 12.487 364 HG3 LYS 29 HG3 LYS 29 -14.658 -26.516 11.382 365 HD2 LYS 29 HD2 LYS 29 -12.376 -26.449 12.222 366 HD3 LYS 29 HD3 LYS 29 -12.352 -26.170 10.493 367 HE2 LYS 29 HE2 LYS 29 -12.586 -23.633 11.953 368 HE3 LYS 29 HE3 LYS 29 -11.244 -24.571 12.599 369 HZ1 LYS 29 HZ1 LYS 29 -11.581 -23.922 9.716 370 HZ2 LYS 29 HZ2 LYS 29 -10.558 -23.133 10.739 371 HZ3 LYS 29 HZ3 LYS 29 -10.301 -24.700 10.385 372 H THR 30 H THR 30 -16.533 -23.013 9.591 373 HA THR 30 HA THR 30 -16.048 -21.898 6.877 374 HB THR 30 HB THR 30 -18.615 -21.417 8.429 375 HG1 THR 30 HG1 THR 30 -18.531 -23.389 7.273 376 HG21 THR 30 HG21 THR 30 -17.590 -20.302 5.773 377 HG22 THR 30 HG22 THR 30 -19.260 -20.152 6.358 378 HG23 THR 30 HG23 THR 30 -17.949 -19.373 7.251 379 H ARG 31 H ARG 31 -15.106 -19.931 6.920 380 HA ARG 31 HA ARG 31 -13.742 -19.422 9.402 381 HB2 ARG 31 HB2 ARG 31 -13.440 -18.615 6.531 382 HB3 ARG 31 HB3 ARG 31 -12.581 -17.658 7.718 383 HG2 ARG 31 HG2 ARG 31 -12.382 -20.681 7.881 384 HG3 ARG 31 HG3 ARG 31 -11.509 -19.826 6.625 385 HD2 ARG 31 HD2 ARG 31 -10.018 -20.117 8.430 386 HD3 ARG 31 HD3 ARG 31 -10.375 -18.404 8.365 387 HE ARG 31 HE ARG 31 -10.984 -20.293 10.505 388 HH11 ARG 31 HH11 ARG 31 -11.435 -16.951 9.432 389 HH12 ARG 31 HH12 ARG 31 -12.282 -16.566 10.937 390 HH21 ARG 31 HH21 ARG 31 -12.077 -19.558 12.378 391 HH22 ARG 31 HH22 ARG 31 -12.605 -17.872 12.404 392 H ARG 32 H ARG 32 -15.445 -18.724 10.686 393 HA ARG 32 HA ARG 32 -16.522 -16.074 10.750 394 HB2 ARG 32 HB2 ARG 32 -17.475 -17.658 12.170 395 HB3 ARG 32 HB3 ARG 32 -15.931 -18.250 12.748 396 HG2 ARG 32 HG2 ARG 32 -17.300 -17.082 14.442 397 HG3 ARG 32 HG3 ARG 32 -15.651 -16.511 14.288 398 HD2 ARG 32 HD2 ARG 32 -17.402 -14.760 14.702 399 HD3 ARG 32 HD3 ARG 32 -16.301 -14.443 13.387 400 HE ARG 32 HE ARG 32 -19.137 -15.395 13.074 401 HH11 ARG 32 HH11 ARG 32 -16.403 -13.737 11.609 402 HH12 ARG 32 HH12 ARG 32 -17.434 -12.961 10.431 403 HH21 ARG 32 HH21 ARG 32 -20.311 -14.449 11.409 404 HH22 ARG 32 HH22 ARG 32 -19.497 -13.381 10.294 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -6.165 -24.043 7.064 2 H2 GLY 1 H2 GLY 1 -7.413 -24.900 7.700 3 H3 GLY 1 H3 GLY 1 -7.232 -23.323 8.091 4 HA2 GLY 1 HA2 GLY 1 -8.001 -24.415 5.468 5 HA3 GLY 1 HA3 GLY 1 -9.005 -23.432 6.553 6 H ILE 2 H ILE 2 -8.734 -22.642 3.950 7 HA ILE 2 HA ILE 2 -6.491 -21.147 3.249 8 HB ILE 2 HB ILE 2 -7.914 -21.833 1.608 9 HG12 ILE 2 HG12 ILE 2 -6.792 -19.562 1.296 10 HG13 ILE 2 HG13 ILE 2 -7.980 -20.115 0.137 11 HG21 ILE 2 HG21 ILE 2 -10.234 -20.226 2.736 12 HG22 ILE 2 HG22 ILE 2 -10.221 -21.083 1.184 13 HG23 ILE 2 HG23 ILE 2 -10.082 -21.995 2.684 14 HD11 ILE 2 HD11 ILE 2 -8.533 -18.006 2.259 15 HD12 ILE 2 HD12 ILE 2 -8.237 -17.748 0.539 16 HD13 ILE 2 HD13 ILE 2 -9.690 -18.604 1.049 17 H VAL 3 H VAL 3 -9.457 -19.726 4.790 18 HA VAL 3 HA VAL 3 -8.276 -17.090 4.686 19 HB VAL 3 HB VAL 3 -10.576 -18.081 6.354 20 HG11 VAL 3 HG11 VAL 3 -9.669 -15.232 5.827 21 HG12 VAL 3 HG12 VAL 3 -11.233 -15.686 6.533 22 HG13 VAL 3 HG13 VAL 3 -9.735 -16.050 7.398 23 HG21 VAL 3 HG21 VAL 3 -11.095 -18.295 4.018 24 HG22 VAL 3 HG22 VAL 3 -11.948 -16.882 4.639 25 HG23 VAL 3 HG23 VAL 3 -10.466 -16.679 3.678 26 H GLU 4 H GLU 4 -8.116 -19.634 7.192 27 HA GLU 4 HA GLU 4 -6.761 -18.050 9.209 28 HB2 GLU 4 HB2 GLU 4 -6.699 -21.005 8.537 29 HB3 GLU 4 HB3 GLU 4 -5.760 -20.329 9.847 30 HG2 GLU 4 HG2 GLU 4 -7.463 -20.198 11.268 31 HG3 GLU 4 HG3 GLU 4 -8.519 -19.454 10.093 32 H GLN 5 H GLN 5 -5.554 -19.975 6.425 33 HA GLN 5 HA GLN 5 -2.773 -19.428 6.812 34 HB2 GLN 5 HB2 GLN 5 -3.473 -21.240 5.409 35 HB3 GLN 5 HB3 GLN 5 -4.452 -20.194 4.406 36 HG2 GLN 5 HG2 GLN 5 -2.525 -20.775 3.155 37 HG3 GLN 5 HG3 GLN 5 -2.433 -19.068 3.531 38 HE21 GLN 5 HE21 GLN 5 0.964 -19.944 4.221 39 HE22 GLN 5 HE22 GLN 5 -0.150 -19.141 3.101 40 H CYS 6 H CYS 6 -5.279 -17.577 4.949 41 HA CYS 6 HA CYS 6 -3.380 -15.601 4.078 42 HB2 CYS 6 HB2 CYS 6 -6.368 -15.206 4.342 43 HB3 CYS 6 HB3 CYS 6 -5.241 -14.321 3.324 44 H CYS 7 H CYS 7 -5.384 -15.766 7.049 45 HA CYS 7 HA CYS 7 -4.986 -13.107 7.953 46 HB2 CYS 7 HB2 CYS 7 -5.188 -15.698 9.523 47 HB3 CYS 7 HB3 CYS 7 -5.304 -14.102 10.235 48 H THR 8 H THR 8 -2.709 -15.854 8.010 49 HA THR 8 HA THR 8 -0.755 -14.276 9.631 50 HB THR 8 HB THR 8 0.336 -16.430 10.035 51 HG1 THR 8 HG1 THR 8 -0.686 -18.317 9.390 52 HG21 THR 8 HG21 THR 8 -2.645 -16.584 10.663 53 HG22 THR 8 HG22 THR 8 -1.324 -17.411 11.514 54 HG23 THR 8 HG23 THR 8 -1.450 -15.646 11.589 55 H SER 9 H SER 9 -1.061 -15.887 6.488 56 HA SER 9 HA SER 9 1.717 -15.119 5.694 57 HB2 SER 9 HB2 SER 9 0.456 -17.883 5.819 58 HB3 SER 9 HB3 SER 9 1.958 -17.532 4.945 59 HG SER 9 HG SER 9 2.306 -18.308 7.093 60 H ILE 10 H ILE 10 2.064 -16.225 3.374 61 HA ILE 10 HA ILE 10 0.430 -14.793 1.532 62 HB ILE 10 HB ILE 10 1.710 -16.177 -0.209 63 HG12 ILE 10 HG12 ILE 10 3.850 -17.125 0.481 64 HG13 ILE 10 HG13 ILE 10 3.416 -17.003 2.180 65 HG21 ILE 10 HG21 ILE 10 3.233 -14.464 1.791 66 HG22 ILE 10 HG22 ILE 10 3.691 -14.779 0.104 67 HG23 ILE 10 HG23 ILE 10 2.220 -13.866 0.459 68 HD11 ILE 10 HD11 ILE 10 1.888 -18.685 0.138 69 HD12 ILE 10 HD12 ILE 10 3.198 -19.298 1.169 70 HD13 ILE 10 HD13 ILE 10 1.710 -18.712 1.913 71 H CYS 11 H CYS 11 -0.679 -15.600 -0.342 72 HA CYS 11 HA CYS 11 -2.238 -18.071 -0.077 73 HB2 CYS 11 HB2 CYS 11 -3.340 -15.355 0.604 74 HB3 CYS 11 HB3 CYS 11 -4.343 -16.439 -0.351 75 H SER 12 H SER 12 -1.393 -18.640 -2.038 76 HA SER 12 HA SER 12 -2.007 -17.182 -4.513 77 HB2 SER 12 HB2 SER 12 -1.142 -20.064 -4.050 78 HB3 SER 12 HB3 SER 12 -1.213 -19.230 -5.614 79 HG SER 12 HG SER 12 0.905 -19.227 -4.708 80 H LEU 13 H LEU 13 -3.473 -18.105 -6.172 81 HA LEU 13 HA LEU 13 -6.077 -18.741 -5.153 82 HB2 LEU 13 HB2 LEU 13 -4.892 -18.809 -7.956 83 HB3 LEU 13 HB3 LEU 13 -6.555 -19.250 -7.598 84 HG LEU 13 HG LEU 13 -6.888 -16.964 -6.546 85 HD11 LEU 13 HD11 LEU 13 -4.251 -16.380 -7.963 86 HD12 LEU 13 HD12 LEU 13 -5.406 -15.146 -7.423 87 HD13 LEU 13 HD13 LEU 13 -4.609 -16.161 -6.229 88 HD21 LEU 13 HD21 LEU 13 -7.738 -17.583 -8.768 89 HD22 LEU 13 HD22 LEU 13 -7.235 -15.889 -8.727 90 HD23 LEU 13 HD23 LEU 13 -6.192 -17.103 -9.505 91 H TYR 14 H TYR 14 -3.421 -20.888 -5.838 92 HA TYR 14 HA TYR 14 -4.820 -23.356 -6.077 93 HB2 TYR 14 HB2 TYR 14 -2.404 -23.095 -6.401 94 HB3 TYR 14 HB3 TYR 14 -2.191 -22.671 -4.707 95 HD1 TYR 14 HD1 TYR 14 -1.838 -24.374 -3.067 96 HD2 TYR 14 HD2 TYR 14 -3.321 -25.430 -6.983 97 HE1 TYR 14 HE1 TYR 14 -1.539 -26.785 -2.530 98 HE2 TYR 14 HE2 TYR 14 -3.021 -27.846 -6.438 99 HH TYR 14 HH TYR 14 -1.719 -28.943 -3.283 100 H GLN 15 H GLN 15 -4.212 -21.333 -3.169 101 HA GLN 15 HA GLN 15 -5.272 -23.348 -1.339 102 HB2 GLN 15 HB2 GLN 15 -4.669 -20.388 -1.000 103 HB3 GLN 15 HB3 GLN 15 -5.336 -21.389 0.283 104 HG2 GLN 15 HG2 GLN 15 -2.684 -21.955 -1.108 105 HG3 GLN 15 HG3 GLN 15 -2.863 -21.102 0.419 106 HE21 GLN 15 HE21 GLN 15 -2.055 -24.565 1.370 107 HE22 GLN 15 HE22 GLN 15 -1.239 -23.211 0.603 108 H LEU 16 H LEU 16 -6.783 -20.951 -3.425 109 HA LEU 16 HA LEU 16 -9.380 -21.131 -2.068 110 HB2 LEU 16 HB2 LEU 16 -8.800 -20.458 -4.978 111 HB3 LEU 16 HB3 LEU 16 -10.345 -20.318 -4.166 112 HG LEU 16 HG LEU 16 -7.861 -18.713 -3.427 113 HD11 LEU 16 HD11 LEU 16 -10.371 -17.925 -4.965 114 HD12 LEU 16 HD12 LEU 16 -9.026 -16.849 -4.516 115 HD13 LEU 16 HD13 LEU 16 -8.760 -18.167 -5.670 116 HD21 LEU 16 HD21 LEU 16 -9.414 -18.949 -1.519 117 HD22 LEU 16 HD22 LEU 16 -9.473 -17.305 -2.161 118 HD23 LEU 16 HD23 LEU 16 -10.775 -18.451 -2.545 119 H GLU 17 H GLU 17 -7.975 -22.727 -5.011 120 HA GLU 17 HA GLU 17 -10.112 -24.581 -5.323 121 HB2 GLU 17 HB2 GLU 17 -7.180 -24.813 -6.116 122 HB3 GLU 17 HB3 GLU 17 -8.447 -25.901 -6.671 123 HG2 GLU 17 HG2 GLU 17 -8.257 -22.917 -7.227 124 HG3 GLU 17 HG3 GLU 17 -7.950 -24.222 -8.365 125 H ASN 18 H ASN 18 -7.507 -24.728 -3.005 126 HA ASN 18 HA ASN 18 -7.629 -27.479 -2.303 127 HB2 ASN 18 HB2 ASN 18 -5.920 -25.685 -1.674 128 HB3 ASN 18 HB3 ASN 18 -7.077 -25.104 -0.478 129 HD21 ASN 18 HD21 ASN 18 -4.993 -27.159 1.572 130 HD22 ASN 18 HD22 ASN 18 -5.134 -25.527 0.923 131 H TYR 19 H TYR 19 -9.959 -24.928 -1.669 132 HA TYR 19 HA TYR 19 -11.629 -26.829 -0.062 133 HB2 TYR 19 HB2 TYR 19 -11.226 -23.903 0.628 134 HB3 TYR 19 HB3 TYR 19 -12.226 -25.062 1.485 135 HD1 TYR 19 HD1 TYR 19 -11.100 -27.026 2.704 136 HD2 TYR 19 HD2 TYR 19 -8.887 -23.734 1.031 137 HE1 TYR 19 HE1 TYR 19 -9.154 -27.603 4.146 138 HE2 TYR 19 HE2 TYR 19 -6.940 -24.293 2.493 139 HH TYR 19 HH TYR 19 -6.962 -27.122 4.678 140 H CYS 20 H CYS 20 -11.603 -23.935 -2.132 141 HA CYS 20 HA CYS 20 -14.461 -23.943 -2.673 142 HB2 CYS 20 HB2 CYS 20 -13.008 -21.901 -2.878 143 HB3 CYS 20 HB3 CYS 20 -12.155 -22.689 -4.210 144 H GLY 21 H GLY 21 -14.421 -26.359 -2.936 145 HA2 GLY 21 HA2 GLY 21 -13.354 -27.584 -5.354 146 HA3 GLY 21 HA3 GLY 21 -14.546 -28.287 -4.263 147 H1 PHE 1 H1 PHE 1 -7.238 -10.176 -4.563 148 H2 PHE 1 H2 PHE 1 -7.133 -9.415 -3.109 149 H3 PHE 1 H3 PHE 1 -8.571 -9.982 -3.636 150 HA PHE 1 HA PHE 1 -7.688 -11.385 -1.915 151 HB2 PHE 1 HB2 PHE 1 -9.160 -12.526 -3.355 152 HB3 PHE 1 HB3 PHE 1 -7.984 -12.608 -4.663 153 HD1 PHE 1 HD1 PHE 1 -6.811 -14.636 -4.980 154 HD2 PHE 1 HD2 PHE 1 -8.295 -13.664 -1.046 155 HE1 PHE 1 HE1 PHE 1 -5.870 -16.749 -4.090 156 HE2 PHE 1 HE2 PHE 1 -7.367 -15.784 -0.174 157 HZ PHE 1 HZ PHE 1 -6.159 -17.342 -1.698 158 H VAL 2 H VAL 2 -5.555 -11.957 -4.814 159 HA VAL 2 HA VAL 2 -4.042 -13.780 -3.457 160 HB VAL 2 HB VAL 2 -4.137 -13.542 -5.866 161 HG11 VAL 2 HG11 VAL 2 -2.070 -11.316 -5.643 162 HG12 VAL 2 HG12 VAL 2 -2.706 -12.050 -7.125 163 HG13 VAL 2 HG13 VAL 2 -3.772 -11.083 -6.096 164 HG21 VAL 2 HG21 VAL 2 -2.384 -14.932 -4.817 165 HG22 VAL 2 HG22 VAL 2 -1.885 -14.267 -6.378 166 HG23 VAL 2 HG23 VAL 2 -1.261 -13.555 -4.878 167 H ASN 3 H ASN 3 -2.431 -13.924 -2.109 168 HA ASN 3 HA ASN 3 -1.004 -13.339 -0.441 169 HB2 ASN 3 HB2 ASN 3 0.222 -11.861 -2.791 170 HB3 ASN 3 HB3 ASN 3 1.087 -12.287 -1.315 171 HD21 ASN 3 HD21 ASN 3 1.524 -14.948 -3.994 172 HD22 ASN 3 HD22 ASN 3 1.617 -13.196 -4.108 173 H GLN 4 H GLN 4 -3.256 -11.725 -0.088 174 HA GLN 4 HA GLN 4 -1.917 -9.643 1.543 175 HB2 GLN 4 HB2 GLN 4 -3.512 -7.955 1.104 176 HB3 GLN 4 HB3 GLN 4 -2.850 -8.495 -0.421 177 HG2 GLN 4 HG2 GLN 4 -5.179 -10.090 -0.008 178 HG3 GLN 4 HG3 GLN 4 -5.624 -8.506 0.585 179 HE21 GLN 4 HE21 GLN 4 -4.538 -8.401 -3.394 180 HE22 GLN 4 HE22 GLN 4 -3.501 -9.315 -2.318 181 H HIS 5 H HIS 5 -2.938 -9.094 3.474 182 HA HIS 5 HA HIS 5 -3.888 -11.572 4.629 183 HB2 HIS 5 HB2 HIS 5 -2.795 -9.119 6.019 184 HB3 HIS 5 HB3 HIS 5 -2.952 -10.742 6.693 185 HD2 HIS 5 HD2 HIS 5 -1.090 -12.536 6.089 186 HE1 HIS 5 HE1 HIS 5 1.364 -10.077 3.611 187 HE2 HIS 5 HE2 HIS 5 1.211 -12.313 4.819 188 H LEU 6 H LEU 6 -6.032 -10.022 3.419 189 HA LEU 6 HA LEU 6 -7.707 -8.936 5.496 190 HB2 LEU 6 HB2 LEU 6 -7.864 -8.529 3.015 191 HB3 LEU 6 HB3 LEU 6 -8.534 -10.135 2.816 192 HG LEU 6 HG LEU 6 -10.103 -8.163 2.763 193 HD11 LEU 6 HD11 LEU 6 -10.847 -10.248 4.838 194 HD12 LEU 6 HD12 LEU 6 -11.943 -9.199 3.927 195 HD13 LEU 6 HD13 LEU 6 -10.983 -10.405 3.067 196 HD21 LEU 6 HD21 LEU 6 -9.136 -6.909 4.682 197 HD22 LEU 6 HD22 LEU 6 -10.892 -7.119 4.767 198 HD23 LEU 6 HD23 LEU 6 -9.843 -8.113 5.789 199 H CYS 7 H CYS 7 -9.157 -9.930 6.854 200 HA CYS 7 HA CYS 7 -8.998 -12.903 7.076 201 HB2 CYS 7 HB2 CYS 7 -7.085 -11.770 8.153 202 HB3 CYS 7 HB3 CYS 7 -8.196 -10.793 9.101 203 H GLY 8 H GLY 8 -10.434 -13.861 8.641 204 HA2 GLY 8 HA2 GLY 8 -12.461 -14.143 9.759 205 HA3 GLY 8 HA3 GLY 8 -12.720 -12.405 9.732 206 H SER 9 H SER 9 -14.974 -13.352 9.351 207 HA SER 9 HA SER 9 -15.618 -14.730 6.994 208 HB2 SER 9 HB2 SER 9 -17.936 -14.326 7.506 209 HB3 SER 9 HB3 SER 9 -17.033 -14.698 8.975 210 HG SER 9 HG SER 9 -18.094 -12.212 8.096 211 H HIS 10 H HIS 10 -14.911 -11.344 7.135 212 HA HIS 10 HA HIS 10 -16.390 -10.524 4.787 213 HB2 HIS 10 HB2 HIS 10 -13.760 -9.541 5.954 214 HB3 HIS 10 HB3 HIS 10 -14.598 -8.784 4.602 215 HD2 HIS 10 HD2 HIS 10 -17.455 -9.603 6.647 216 HE1 HIS 10 HE1 HIS 10 -16.156 -5.892 8.289 217 HE2 HIS 10 HE2 HIS 10 -18.079 -7.558 8.171 218 H LEU 11 H LEU 11 -13.348 -12.394 5.131 219 HA LEU 11 HA LEU 11 -12.948 -12.349 2.234 220 HB2 LEU 11 HB2 LEU 11 -11.044 -12.557 3.821 221 HB3 LEU 11 HB3 LEU 11 -11.634 -14.140 4.300 222 HG LEU 11 HG LEU 11 -11.196 -15.062 2.101 223 HD11 LEU 11 HD11 LEU 11 -10.471 -12.233 1.211 224 HD12 LEU 11 HD12 LEU 11 -10.135 -13.719 0.288 225 HD13 LEU 11 HD13 LEU 11 -11.794 -13.247 0.583 226 HD21 LEU 11 HD21 LEU 11 -9.222 -14.732 3.653 227 HD22 LEU 11 HD22 LEU 11 -8.794 -14.813 1.939 228 HD23 LEU 11 HD23 LEU 11 -8.845 -13.246 2.773 229 H VAL 12 H VAL 12 -14.726 -14.391 4.504 230 HA VAL 12 HA VAL 12 -15.266 -16.548 2.617 231 HB VAL 12 HB VAL 12 -16.840 -15.687 5.073 232 HG11 VAL 12 HG11 VAL 12 -16.995 -18.246 3.428 233 HG12 VAL 12 HG12 VAL 12 -17.782 -17.977 4.999 234 HG13 VAL 12 HG13 VAL 12 -18.275 -17.024 3.603 235 HG21 VAL 12 HG21 VAL 12 -14.536 -16.425 5.617 236 HG22 VAL 12 HG22 VAL 12 -15.738 -17.602 6.151 237 HG23 VAL 12 HG23 VAL 12 -14.794 -17.909 4.673 238 H GLU 13 H GLU 13 -16.987 -13.511 3.479 239 HA GLU 13 HA GLU 13 -19.116 -13.822 1.565 240 HB2 GLU 13 HB2 GLU 13 -17.847 -11.373 2.842 241 HB3 GLU 13 HB3 GLU 13 -19.266 -11.306 1.786 242 HG2 GLU 13 HG2 GLU 13 -20.581 -12.636 3.305 243 HG3 GLU 13 HG3 GLU 13 -19.182 -13.029 4.296 244 H ALA 14 H ALA 14 -15.881 -12.248 1.268 245 HA ALA 14 HA ALA 14 -16.223 -11.515 -1.484 246 HB1 ALA 14 HB1 ALA 14 -13.688 -11.967 0.133 247 HB2 ALA 14 HB2 ALA 14 -13.806 -11.096 -1.408 248 HB3 ALA 14 HB3 ALA 14 -14.607 -10.448 0.037 249 H LEU 15 H LEU 15 -15.167 -14.601 -0.041 250 HA LEU 15 HA LEU 15 -14.005 -15.810 -2.306 251 HB2 LEU 15 HB2 LEU 15 -13.630 -16.783 -0.295 252 HB3 LEU 15 HB3 LEU 15 -15.261 -16.664 0.259 253 HG LEU 15 HG LEU 15 -14.360 -18.919 0.065 254 HD11 LEU 15 HD11 LEU 15 -16.871 -18.482 -1.571 255 HD12 LEU 15 HD12 LEU 15 -16.377 -19.965 -0.734 256 HD13 LEU 15 HD13 LEU 15 -16.768 -18.512 0.197 257 HD21 LEU 15 HD21 LEU 15 -13.181 -18.635 -2.134 258 HD22 LEU 15 HD22 LEU 15 -14.161 -20.105 -1.957 259 HD23 LEU 15 HD23 LEU 15 -14.778 -18.761 -2.916 260 H TYR 16 H TYR 16 -17.483 -15.449 -1.570 261 HA TYR 16 HA TYR 16 -18.386 -16.889 -3.915 262 HB2 TYR 16 HB2 TYR 16 -19.764 -14.841 -2.152 263 HB3 TYR 16 HB3 TYR 16 -20.554 -15.717 -3.453 264 HD1 TYR 16 HD1 TYR 16 -20.857 -18.191 -3.361 265 HD2 TYR 16 HD2 TYR 16 -19.340 -15.935 -0.017 266 HE1 TYR 16 HE1 TYR 16 -21.254 -20.142 -1.868 267 HE2 TYR 16 HE2 TYR 16 -19.721 -17.894 1.478 268 HH TYR 16 HH TYR 16 -21.104 -20.973 0.263 269 H LEU 17 H LEU 17 -16.770 -13.925 -3.779 270 HA LEU 17 HA LEU 17 -17.779 -13.125 -6.485 271 HB2 LEU 17 HB2 LEU 17 -16.009 -11.545 -4.587 272 HB3 LEU 17 HB3 LEU 17 -16.740 -10.981 -6.079 273 HG LEU 17 HG LEU 17 -18.264 -11.738 -3.538 274 HD11 LEU 17 HD11 LEU 17 -17.665 -9.019 -4.768 275 HD12 LEU 17 HD12 LEU 17 -18.654 -9.331 -3.323 276 HD13 LEU 17 HD13 LEU 17 -16.921 -9.689 -3.299 277 HD21 LEU 17 HD21 LEU 17 -19.657 -12.091 -5.545 278 HD22 LEU 17 HD22 LEU 17 -20.200 -10.666 -4.651 279 HD23 LEU 17 HD23 LEU 17 -19.241 -10.465 -6.136 280 H VAL 18 H VAL 18 -14.838 -13.816 -4.606 281 HA VAL 18 HA VAL 18 -12.988 -13.481 -6.780 282 HB VAL 18 HB VAL 18 -12.707 -14.700 -4.015 283 HG11 VAL 18 HG11 VAL 18 -10.479 -13.968 -5.965 284 HG12 VAL 18 HG12 VAL 18 -10.284 -14.494 -4.274 285 HG13 VAL 18 HG13 VAL 18 -10.917 -15.615 -5.470 286 HG21 VAL 18 HG21 VAL 18 -13.189 -12.230 -4.118 287 HG22 VAL 18 HG22 VAL 18 -11.595 -12.596 -3.459 288 HG23 VAL 18 HG23 VAL 18 -11.756 -12.022 -5.136 289 H CYS 19 H CYS 19 -14.148 -16.505 -5.134 290 HA CYS 19 HA CYS 19 -12.915 -18.157 -7.247 291 HB2 CYS 19 HB2 CYS 19 -13.184 -18.801 -4.766 292 HB3 CYS 19 HB3 CYS 19 -14.884 -19.091 -5.159 293 H GLY 20 H GLY 20 -16.163 -17.151 -6.206 294 HA2 GLY 20 HA2 GLY 20 -17.845 -16.239 -7.428 295 HA3 GLY 20 HA3 GLY 20 -16.794 -16.334 -8.824 296 H GLU 21 H GLU 21 -16.657 -18.876 -9.578 297 HA GLU 21 HA GLU 21 -19.115 -18.737 -11.011 298 HB2 GLU 21 HB2 GLU 21 -17.799 -20.995 -12.028 299 HB3 GLU 21 HB3 GLU 21 -17.843 -19.364 -12.635 300 HG2 GLU 21 HG2 GLU 21 -15.608 -20.010 -12.648 301 HG3 GLU 21 HG3 GLU 21 -15.752 -18.831 -11.360 302 H ARG 22 H ARG 22 -17.820 -21.624 -9.363 303 HA ARG 22 HA ARG 22 -19.932 -23.321 -10.190 304 HB2 ARG 22 HB2 ARG 22 -17.768 -23.492 -8.084 305 HB3 ARG 22 HB3 ARG 22 -18.902 -24.822 -8.296 306 HG2 ARG 22 HG2 ARG 22 -18.151 -25.347 -10.438 307 HG3 ARG 22 HG3 ARG 22 -17.386 -23.775 -10.703 308 HD2 ARG 22 HD2 ARG 22 -16.429 -25.641 -8.505 309 HD3 ARG 22 HD3 ARG 22 -15.858 -25.811 -10.175 310 HE ARG 22 HE ARG 22 -15.568 -23.091 -9.519 311 HH11 ARG 22 HH11 ARG 22 -14.122 -25.929 -7.997 312 HH12 ARG 22 HH12 ARG 22 -12.531 -25.157 -8.027 313 HH21 ARG 22 HH21 ARG 22 -13.606 -22.288 -9.533 314 HH22 ARG 22 HH22 ARG 22 -12.277 -23.118 -8.709 315 H GLY 23 H GLY 23 -19.619 -21.711 -7.039 316 HA2 GLY 23 HA2 GLY 23 -21.037 -21.769 -5.145 317 HA3 GLY 23 HA3 GLY 23 -22.205 -22.772 -6.015 318 H PHE 24 H PHE 24 -19.943 -22.840 -3.605 319 HA PHE 24 HA PHE 24 -18.326 -24.998 -4.721 320 HB2 PHE 24 HB2 PHE 24 -17.491 -23.375 -2.357 321 HB3 PHE 24 HB3 PHE 24 -16.545 -23.972 -3.711 322 HD1 PHE 24 HD1 PHE 24 -18.024 -21.114 -2.241 323 HD2 PHE 24 HD2 PHE 24 -17.189 -22.880 -6.078 324 HE1 PHE 24 HE1 PHE 24 -18.294 -18.915 -3.314 325 HE2 PHE 24 HE2 PHE 24 -17.462 -20.652 -7.166 326 HZ PHE 24 HZ PHE 24 -18.074 -18.672 -5.775 327 H PHE 25 H PHE 25 -17.286 -26.630 -3.574 328 HA PHE 25 HA PHE 25 -18.665 -27.870 -1.332 329 HB2 PHE 25 HB2 PHE 25 -17.526 -29.043 -3.246 330 HB3 PHE 25 HB3 PHE 25 -15.984 -28.535 -2.577 331 HD1 PHE 25 HD1 PHE 25 -19.122 -30.400 -1.642 332 HD2 PHE 25 HD2 PHE 25 -14.862 -30.004 -1.096 333 HE1 PHE 25 HE1 PHE 25 -19.105 -32.461 -0.254 334 HE2 PHE 25 HE2 PHE 25 -14.848 -32.065 0.289 335 HZ PHE 25 HZ PHE 25 -16.970 -33.296 0.714 336 H TYR 26 H TYR 26 -17.838 -25.209 -0.596 337 HA TYR 26 HA TYR 26 -15.331 -25.181 0.793 338 HB2 TYR 26 HB2 TYR 26 -16.483 -23.175 -0.075 339 HB3 TYR 26 HB3 TYR 26 -17.739 -23.370 1.143 340 HD1 TYR 26 HD1 TYR 26 -13.984 -23.139 0.851 341 HD2 TYR 26 HD2 TYR 26 -17.504 -22.099 3.125 342 HE1 TYR 26 HE1 TYR 26 -12.579 -21.825 2.427 343 HE2 TYR 26 HE2 TYR 26 -16.092 -20.756 4.680 344 HH TYR 26 HH TYR 26 -12.551 -20.474 4.266 345 H THR 27 H THR 27 -14.746 -25.799 2.755 346 HA THR 27 HA THR 27 -16.730 -26.959 4.636 347 HB THR 27 HB THR 27 -16.312 -28.453 2.691 348 HG1 THR 27 HG1 THR 27 -16.125 -30.279 3.900 349 HG21 THR 27 HG21 THR 27 -13.531 -28.828 3.894 350 HG22 THR 27 HG22 THR 27 -14.246 -29.739 2.547 351 HG23 THR 27 HG23 THR 27 -13.887 -28.022 2.347 352 HA PRO 28 HA PRO 28 -12.504 -26.996 6.898 353 HB2 PRO 28 HB2 PRO 28 -10.874 -24.855 6.753 354 HB3 PRO 28 HB3 PRO 28 -10.919 -26.085 5.463 355 HG2 PRO 28 HG2 PRO 28 -12.401 -23.428 5.525 356 HG3 PRO 28 HG3 PRO 28 -11.355 -24.072 4.221 357 HD2 PRO 28 HD2 PRO 28 -14.077 -24.349 4.231 358 HD3 PRO 28 HD3 PRO 28 -12.995 -25.599 3.533 359 H LYS 29 H LYS 29 -14.669 -26.693 8.036 360 HA LYS 29 HA LYS 29 -16.266 -25.724 9.335 361 HB2 LYS 29 HB2 LYS 29 -14.249 -23.652 10.300 362 HB3 LYS 29 HB3 LYS 29 -15.806 -24.049 10.987 363 HG2 LYS 29 HG2 LYS 29 -14.528 -25.167 12.453 364 HG3 LYS 29 HG3 LYS 29 -14.841 -26.460 11.310 365 HD2 LYS 29 HD2 LYS 29 -12.530 -26.491 12.051 366 HD3 LYS 29 HD3 LYS 29 -12.562 -26.131 10.337 367 HE2 LYS 29 HE2 LYS 29 -12.671 -23.664 11.932 368 HE3 LYS 29 HE3 LYS 29 -11.328 -24.668 12.468 369 HZ1 LYS 29 HZ1 LYS 29 -11.770 -23.841 9.646 370 HZ2 LYS 29 HZ2 LYS 29 -10.672 -23.159 10.670 371 HZ3 LYS 29 HZ3 LYS 29 -10.492 -24.708 10.204 372 H THR 30 H THR 30 -16.841 -22.966 9.741 373 HA THR 30 HA THR 30 -16.549 -21.701 7.047 374 HB THR 30 HB THR 30 -18.858 -21.194 8.951 375 HG1 THR 30 HG1 THR 30 -20.069 -22.160 7.323 376 HG21 THR 30 HG21 THR 30 -18.232 -20.130 6.153 377 HG22 THR 30 HG22 THR 30 -19.740 -19.847 7.047 378 HG23 THR 30 HG23 THR 30 -18.224 -19.175 7.656 379 H ARG 31 H ARG 31 -15.294 -19.947 7.104 380 HA ARG 31 HA ARG 31 -13.876 -19.460 9.552 381 HB2 ARG 31 HB2 ARG 31 -13.591 -18.722 6.669 382 HB3 ARG 31 HB3 ARG 31 -12.695 -17.746 7.811 383 HG2 ARG 31 HG2 ARG 31 -12.560 -20.765 8.079 384 HG3 ARG 31 HG3 ARG 31 -11.704 -19.986 6.765 385 HD2 ARG 31 HD2 ARG 31 -10.156 -20.208 8.515 386 HD3 ARG 31 HD3 ARG 31 -10.514 -18.497 8.424 387 HE ARG 31 HE ARG 31 -11.067 -20.339 10.623 388 HH11 ARG 31 HH11 ARG 31 -11.518 -17.017 9.490 389 HH12 ARG 31 HH12 ARG 31 -12.311 -16.589 11.013 390 HH21 ARG 31 HH21 ARG 31 -12.095 -19.549 12.514 391 HH22 ARG 31 HH22 ARG 31 -12.602 -17.856 12.518 392 H ARG 32 H ARG 32 -15.492 -18.694 10.862 393 HA ARG 32 HA ARG 32 -16.537 -16.045 10.944 394 HB2 ARG 32 HB2 ARG 32 -17.452 -17.626 12.396 395 HB3 ARG 32 HB3 ARG 32 -15.892 -18.220 12.928 396 HG2 ARG 32 HG2 ARG 32 -17.197 -17.060 14.667 397 HG3 ARG 32 HG3 ARG 32 -15.560 -16.471 14.453 398 HD2 ARG 32 HD2 ARG 32 -17.314 -14.738 14.929 399 HD3 ARG 32 HD3 ARG 32 -16.271 -14.411 13.569 400 HE ARG 32 HE ARG 32 -19.112 -15.375 13.392 401 HH11 ARG 32 HH11 ARG 32 -16.433 -13.771 11.765 402 HH12 ARG 32 HH12 ARG 32 -17.504 -13.030 10.602 403 HH21 ARG 32 HH21 ARG 32 -20.355 -14.472 11.762 404 HH22 ARG 32 HH22 ARG 32 -19.597 -13.436 10.582 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -7.184 -23.358 8.301 2 H2 GLY 1 H2 GLY 1 -6.136 -24.061 7.244 3 H3 GLY 1 H3 GLY 1 -7.360 -24.935 7.903 4 HA2 GLY 1 HA2 GLY 1 -7.997 -24.438 5.683 5 HA3 GLY 1 HA3 GLY 1 -8.996 -23.485 6.801 6 H ILE 2 H ILE 2 -8.853 -22.613 4.244 7 HA ILE 2 HA ILE 2 -6.597 -21.166 3.471 8 HB ILE 2 HB ILE 2 -8.113 -21.858 1.880 9 HG12 ILE 2 HG12 ILE 2 -6.849 -19.652 1.534 10 HG13 ILE 2 HG13 ILE 2 -8.056 -20.177 0.385 11 HG21 ILE 2 HG21 ILE 2 -10.295 -20.073 3.017 12 HG22 ILE 2 HG22 ILE 2 -10.376 -20.983 1.500 13 HG23 ILE 2 HG23 ILE 2 -10.253 -21.850 3.028 14 HD11 ILE 2 HD11 ILE 2 -8.568 -18.021 2.475 15 HD12 ILE 2 HD12 ILE 2 -8.156 -17.757 0.778 16 HD13 ILE 2 HD13 ILE 2 -9.680 -18.547 1.195 17 H VAL 3 H VAL 3 -9.505 -19.651 5.049 18 HA VAL 3 HA VAL 3 -8.257 -17.055 4.895 19 HB VAL 3 HB VAL 3 -10.485 -17.892 6.745 20 HG11 VAL 3 HG11 VAL 3 -9.590 -15.132 5.861 21 HG12 VAL 3 HG12 VAL 3 -11.098 -15.492 6.727 22 HG13 VAL 3 HG13 VAL 3 -9.543 -15.792 7.506 23 HG21 VAL 3 HG21 VAL 3 -11.203 -18.334 4.500 24 HG22 VAL 3 HG22 VAL 3 -11.964 -16.830 5.014 25 HG23 VAL 3 HG23 VAL 3 -10.559 -16.790 3.926 26 H GLU 4 H GLU 4 -8.078 -19.579 7.395 27 HA GLU 4 HA GLU 4 -6.696 -18.015 9.407 28 HB2 GLU 4 HB2 GLU 4 -6.661 -20.963 8.718 29 HB3 GLU 4 HB3 GLU 4 -5.774 -20.303 10.081 30 HG2 GLU 4 HG2 GLU 4 -7.609 -19.943 11.374 31 HG3 GLU 4 HG3 GLU 4 -8.642 -19.542 10.021 32 H GLN 5 H GLN 5 -5.525 -20.007 6.646 33 HA GLN 5 HA GLN 5 -2.743 -19.457 6.954 34 HB2 GLN 5 HB2 GLN 5 -3.472 -21.259 5.554 35 HB3 GLN 5 HB3 GLN 5 -4.482 -20.211 4.589 36 HG2 GLN 5 HG2 GLN 5 -2.613 -20.759 3.260 37 HG3 GLN 5 HG3 GLN 5 -2.477 -19.064 3.670 38 HE21 GLN 5 HE21 GLN 5 0.929 -19.989 4.247 39 HE22 GLN 5 HE22 GLN 5 -0.202 -19.094 3.222 40 H CYS 6 H CYS 6 -5.298 -17.557 5.218 41 HA CYS 6 HA CYS 6 -3.426 -15.579 4.284 42 HB2 CYS 6 HB2 CYS 6 -6.388 -15.153 4.733 43 HB3 CYS 6 HB3 CYS 6 -5.316 -14.273 3.659 44 H CYS 7 H CYS 7 -5.279 -15.812 7.335 45 HA CYS 7 HA CYS 7 -4.712 -13.154 8.267 46 HB2 CYS 7 HB2 CYS 7 -5.185 -15.720 9.817 47 HB3 CYS 7 HB3 CYS 7 -5.223 -14.108 10.504 48 H THR 8 H THR 8 -2.865 -16.244 8.584 49 HA THR 8 HA THR 8 -0.797 -14.944 10.241 50 HB THR 8 HB THR 8 0.192 -17.181 10.361 51 HG1 THR 8 HG1 THR 8 -0.891 -18.912 9.439 52 HG21 THR 8 HG21 THR 8 -2.809 -17.254 10.899 53 HG22 THR 8 HG22 THR 8 -1.566 -18.285 11.637 54 HG23 THR 8 HG23 THR 8 -1.583 -16.546 11.974 55 H SER 9 H SER 9 -1.079 -16.086 6.909 56 HA SER 9 HA SER 9 1.706 -15.256 6.222 57 HB2 SER 9 HB2 SER 9 0.428 -18.005 5.950 58 HB3 SER 9 HB3 SER 9 1.927 -17.536 5.129 59 HG SER 9 HG SER 9 2.281 -18.635 7.132 60 H ILE 10 H ILE 10 1.978 -16.022 3.715 61 HA ILE 10 HA ILE 10 0.113 -14.442 2.183 62 HB ILE 10 HB ILE 10 1.357 -15.407 0.188 63 HG12 ILE 10 HG12 ILE 10 3.597 -16.295 0.542 64 HG13 ILE 10 HG13 ILE 10 3.337 -16.435 2.274 65 HG21 ILE 10 HG21 ILE 10 2.939 -13.927 2.323 66 HG22 ILE 10 HG22 ILE 10 3.259 -13.927 0.577 67 HG23 ILE 10 HG23 ILE 10 1.772 -13.202 1.197 68 HD11 ILE 10 HD11 ILE 10 1.701 -17.960 0.198 69 HD12 ILE 10 HD12 ILE 10 3.187 -18.580 0.946 70 HD13 ILE 10 HD13 ILE 10 1.782 -18.254 1.959 71 H CYS 11 H CYS 11 -1.167 -15.060 0.423 72 HA CYS 11 HA CYS 11 -2.249 -17.830 0.391 73 HB2 CYS 11 HB2 CYS 11 -3.701 -15.261 0.932 74 HB3 CYS 11 HB3 CYS 11 -4.494 -16.430 -0.120 75 H SER 12 H SER 12 -3.220 -18.484 -1.531 76 HA SER 12 HA SER 12 -2.771 -16.929 -4.015 77 HB2 SER 12 HB2 SER 12 -1.555 -19.672 -3.474 78 HB3 SER 12 HB3 SER 12 -1.552 -18.832 -5.035 79 HG SER 12 HG SER 12 0.410 -18.558 -3.842 80 H LEU 13 H LEU 13 -3.808 -18.002 -5.910 81 HA LEU 13 HA LEU 13 -6.461 -18.834 -5.248 82 HB2 LEU 13 HB2 LEU 13 -4.951 -18.836 -7.895 83 HB3 LEU 13 HB3 LEU 13 -6.636 -19.299 -7.711 84 HG LEU 13 HG LEU 13 -7.019 -16.983 -6.617 85 HD11 LEU 13 HD11 LEU 13 -4.393 -16.435 -8.077 86 HD12 LEU 13 HD12 LEU 13 -5.534 -15.189 -7.536 87 HD13 LEU 13 HD13 LEU 13 -4.713 -16.184 -6.343 88 HD21 LEU 13 HD21 LEU 13 -7.880 -17.648 -8.816 89 HD22 LEU 13 HD22 LEU 13 -7.361 -15.959 -8.825 90 HD23 LEU 13 HD23 LEU 13 -6.332 -17.204 -9.573 91 H TYR 14 H TYR 14 -3.592 -20.774 -5.733 92 HA TYR 14 HA TYR 14 -4.786 -23.340 -6.067 93 HB2 TYR 14 HB2 TYR 14 -2.406 -22.915 -6.325 94 HB3 TYR 14 HB3 TYR 14 -2.269 -22.398 -4.651 95 HD1 TYR 14 HD1 TYR 14 -1.046 -23.901 -3.365 96 HD2 TYR 14 HD2 TYR 14 -3.697 -25.440 -6.408 97 HE1 TYR 14 HE1 TYR 14 -0.404 -26.222 -2.751 98 HE2 TYR 14 HE2 TYR 14 -3.058 -27.765 -5.779 99 HH TYR 14 HH TYR 14 -0.652 -28.453 -3.212 100 H GLN 15 H GLN 15 -4.376 -21.346 -3.109 101 HA GLN 15 HA GLN 15 -5.494 -23.443 -1.379 102 HB2 GLN 15 HB2 GLN 15 -4.744 -20.543 -0.866 103 HB3 GLN 15 HB3 GLN 15 -5.474 -21.584 0.349 104 HG2 GLN 15 HG2 GLN 15 -2.835 -22.183 -1.055 105 HG3 GLN 15 HG3 GLN 15 -2.993 -21.435 0.528 106 HE21 GLN 15 HE21 GLN 15 -2.355 -25.012 1.188 107 HE22 GLN 15 HE22 GLN 15 -1.470 -23.662 0.494 108 H LEU 16 H LEU 16 -6.833 -20.866 -3.357 109 HA LEU 16 HA LEU 16 -9.478 -21.045 -2.093 110 HB2 LEU 16 HB2 LEU 16 -8.787 -20.177 -4.929 111 HB3 LEU 16 HB3 LEU 16 -10.357 -20.079 -4.155 112 HG LEU 16 HG LEU 16 -7.865 -18.508 -3.407 113 HD11 LEU 16 HD11 LEU 16 -10.606 -17.674 -4.462 114 HD12 LEU 16 HD12 LEU 16 -9.255 -16.587 -4.082 115 HD13 LEU 16 HD13 LEU 16 -9.106 -17.744 -5.415 116 HD21 LEU 16 HD21 LEU 16 -8.983 -18.943 -1.330 117 HD22 LEU 16 HD22 LEU 16 -9.436 -17.306 -1.810 118 HD23 LEU 16 HD23 LEU 16 -10.578 -18.647 -2.037 119 H GLU 17 H GLU 17 -8.047 -22.526 -5.074 120 HA GLU 17 HA GLU 17 -10.224 -24.288 -5.581 121 HB2 GLU 17 HB2 GLU 17 -7.265 -24.493 -6.252 122 HB3 GLU 17 HB3 GLU 17 -8.473 -25.604 -6.882 123 HG2 GLU 17 HG2 GLU 17 -8.439 -22.592 -7.339 124 HG3 GLU 17 HG3 GLU 17 -7.897 -23.813 -8.481 125 H ASN 18 H ASN 18 -7.783 -24.610 -3.116 126 HA ASN 18 HA ASN 18 -7.991 -27.399 -2.570 127 HB2 ASN 18 HB2 ASN 18 -6.309 -25.664 -1.721 128 HB3 ASN 18 HB3 ASN 18 -7.547 -25.131 -0.584 129 HD21 ASN 18 HD21 ASN 18 -5.575 -27.337 1.450 130 HD22 ASN 18 HD22 ASN 18 -5.595 -25.684 0.843 131 H TYR 19 H TYR 19 -10.277 -24.799 -1.957 132 HA TYR 19 HA TYR 19 -12.111 -26.699 -0.537 133 HB2 TYR 19 HB2 TYR 19 -11.675 -23.801 0.236 134 HB3 TYR 19 HB3 TYR 19 -12.705 -24.977 1.034 135 HD1 TYR 19 HD1 TYR 19 -11.579 -27.090 2.069 136 HD2 TYR 19 HD2 TYR 19 -9.425 -23.535 0.932 137 HE1 TYR 19 HE1 TYR 19 -9.759 -27.691 3.654 138 HE2 TYR 19 HE2 TYR 19 -7.583 -24.155 2.503 139 HH TYR 19 HH TYR 19 -7.679 -27.137 4.469 140 H CYS 20 H CYS 20 -11.861 -23.855 -2.629 141 HA CYS 20 HA CYS 20 -14.663 -23.826 -3.438 142 HB2 CYS 20 HB2 CYS 20 -13.208 -21.817 -3.597 143 HB3 CYS 20 HB3 CYS 20 -12.170 -22.674 -4.739 144 H GLY 21 H GLY 21 -14.741 -26.203 -3.594 145 HA2 GLY 21 HA2 GLY 21 -13.303 -27.698 -5.611 146 HA3 GLY 21 HA3 GLY 21 -14.708 -28.246 -4.698 147 H1 PHE 1 H1 PHE 1 -6.949 -9.165 -3.561 148 H2 PHE 1 H2 PHE 1 -8.401 -9.659 -4.121 149 H3 PHE 1 H3 PHE 1 -7.053 -9.958 -4.994 150 HA PHE 1 HA PHE 1 -7.693 -11.071 -2.343 151 HB2 PHE 1 HB2 PHE 1 -9.124 -12.183 -3.864 152 HB3 PHE 1 HB3 PHE 1 -7.857 -12.361 -5.075 153 HD1 PHE 1 HD1 PHE 1 -6.714 -14.421 -5.224 154 HD2 PHE 1 HD2 PHE 1 -8.550 -13.306 -1.480 155 HE1 PHE 1 HE1 PHE 1 -5.929 -16.533 -4.199 156 HE2 PHE 1 HE2 PHE 1 -7.751 -15.426 -0.462 157 HZ PHE 1 HZ PHE 1 -6.424 -17.036 -1.816 158 H VAL 2 H VAL 2 -5.364 -11.680 -5.086 159 HA VAL 2 HA VAL 2 -4.008 -13.584 -3.666 160 HB VAL 2 HB VAL 2 -3.943 -13.231 -6.088 161 HG11 VAL 2 HG11 VAL 2 -1.762 -11.164 -5.568 162 HG12 VAL 2 HG12 VAL 2 -2.299 -11.780 -7.141 163 HG13 VAL 2 HG13 VAL 2 -3.397 -10.798 -6.159 164 HG21 VAL 2 HG21 VAL 2 -2.358 -14.783 -4.947 165 HG22 VAL 2 HG22 VAL 2 -1.754 -14.128 -6.476 166 HG23 VAL 2 HG23 VAL 2 -1.142 -13.482 -4.947 167 H ASN 3 H ASN 3 -2.298 -13.856 -2.457 168 HA ASN 3 HA ASN 3 -0.784 -13.641 -0.864 169 HB2 ASN 3 HB2 ASN 3 0.144 -11.333 -2.580 170 HB3 ASN 3 HB3 ASN 3 1.061 -12.014 -1.243 171 HD21 ASN 3 HD21 ASN 3 1.037 -15.142 -3.626 172 HD22 ASN 3 HD22 ASN 3 -0.255 -14.833 -2.495 173 H GLN 4 H GLN 4 -2.775 -10.788 -1.031 174 HA GLN 4 HA GLN 4 -1.670 -9.563 1.340 175 HB2 GLN 4 HB2 GLN 4 -3.383 -7.921 1.110 176 HB3 GLN 4 HB3 GLN 4 -2.732 -8.306 -0.471 177 HG2 GLN 4 HG2 GLN 4 -4.909 -10.049 -0.268 178 HG3 GLN 4 HG3 GLN 4 -5.478 -8.652 0.622 179 HE21 GLN 4 HE21 GLN 4 -4.551 -7.984 -3.368 180 HE22 GLN 4 HE22 GLN 4 -3.622 -9.211 -2.527 181 H HIS 5 H HIS 5 -2.672 -9.176 3.339 182 HA HIS 5 HA HIS 5 -3.595 -11.705 4.428 183 HB2 HIS 5 HB2 HIS 5 -2.569 -9.244 5.865 184 HB3 HIS 5 HB3 HIS 5 -2.716 -10.875 6.525 185 HD2 HIS 5 HD2 HIS 5 -0.870 -12.676 5.854 186 HE1 HIS 5 HE1 HIS 5 1.632 -10.141 3.504 187 HE2 HIS 5 HE2 HIS 5 1.442 -12.428 4.602 188 H LEU 6 H LEU 6 -5.762 -10.272 3.195 189 HA LEU 6 HA LEU 6 -7.448 -9.067 5.191 190 HB2 LEU 6 HB2 LEU 6 -7.580 -8.827 2.682 191 HB3 LEU 6 HB3 LEU 6 -8.275 -10.432 2.593 192 HG LEU 6 HG LEU 6 -9.817 -8.457 2.389 193 HD11 LEU 6 HD11 LEU 6 -10.589 -10.344 4.635 194 HD12 LEU 6 HD12 LEU 6 -11.670 -9.361 3.637 195 HD13 LEU 6 HD13 LEU 6 -10.730 -10.651 2.885 196 HD21 LEU 6 HD21 LEU 6 -8.827 -7.059 4.191 197 HD22 LEU 6 HD22 LEU 6 -10.585 -7.235 4.298 198 HD23 LEU 6 HD23 LEU 6 -9.546 -8.153 5.398 199 H CYS 7 H CYS 7 -8.894 -9.963 6.611 200 HA CYS 7 HA CYS 7 -8.758 -12.918 7.024 201 HB2 CYS 7 HB2 CYS 7 -6.845 -11.774 8.043 202 HB3 CYS 7 HB3 CYS 7 -7.927 -10.669 8.877 203 H GLY 8 H GLY 8 -10.218 -13.777 8.608 204 HA2 GLY 8 HA2 GLY 8 -12.253 -14.002 9.709 205 HA3 GLY 8 HA3 GLY 8 -12.513 -12.266 9.598 206 H SER 9 H SER 9 -14.758 -13.354 9.250 207 HA SER 9 HA SER 9 -15.349 -14.736 6.882 208 HB2 SER 9 HB2 SER 9 -17.679 -14.413 7.379 209 HB3 SER 9 HB3 SER 9 -16.781 -14.742 8.861 210 HG SER 9 HG SER 9 -17.909 -12.299 7.942 211 H HIS 10 H HIS 10 -14.678 -11.354 6.989 212 HA HIS 10 HA HIS 10 -16.184 -10.638 4.605 213 HB2 HIS 10 HB2 HIS 10 -13.913 -9.431 6.146 214 HB3 HIS 10 HB3 HIS 10 -14.092 -8.976 4.452 215 HD2 HIS 10 HD2 HIS 10 -16.292 -9.033 7.681 216 HE1 HIS 10 HE1 HIS 10 -18.036 -6.228 4.980 217 HE2 HIS 10 HE2 HIS 10 -18.192 -7.242 7.311 218 H LEU 11 H LEU 11 -13.176 -12.506 5.046 219 HA LEU 11 HA LEU 11 -12.734 -12.523 2.152 220 HB2 LEU 11 HB2 LEU 11 -10.852 -12.753 3.754 221 HB3 LEU 11 HB3 LEU 11 -11.494 -14.305 4.268 222 HG LEU 11 HG LEU 11 -11.081 -15.292 2.090 223 HD11 LEU 11 HD11 LEU 11 -10.234 -12.516 1.141 224 HD12 LEU 11 HD12 LEU 11 -9.961 -14.035 0.255 225 HD13 LEU 11 HD13 LEU 11 -11.600 -13.480 0.527 226 HD21 LEU 11 HD21 LEU 11 -9.109 -15.025 3.636 227 HD22 LEU 11 HD22 LEU 11 -8.668 -15.109 1.927 228 HD23 LEU 11 HD23 LEU 11 -8.679 -13.546 2.766 229 H VAL 12 H VAL 12 -14.548 -14.530 4.458 230 HA VAL 12 HA VAL 12 -15.196 -16.676 2.610 231 HB VAL 12 HB VAL 12 -16.739 -15.602 5.003 232 HG11 VAL 12 HG11 VAL 12 -17.247 -18.140 3.419 233 HG12 VAL 12 HG12 VAL 12 -17.991 -17.719 4.974 234 HG13 VAL 12 HG13 VAL 12 -18.336 -16.741 3.552 235 HG21 VAL 12 HG21 VAL 12 -14.540 -16.642 5.550 236 HG22 VAL 12 HG22 VAL 12 -15.918 -17.564 6.165 237 HG23 VAL 12 HG23 VAL 12 -15.066 -18.116 4.710 238 H GLU 13 H GLU 13 -16.823 -13.569 3.403 239 HA GLU 13 HA GLU 13 -18.905 -13.838 1.440 240 HB2 GLU 13 HB2 GLU 13 -17.707 -11.423 2.843 241 HB3 GLU 13 HB3 GLU 13 -19.119 -11.345 1.776 242 HG2 GLU 13 HG2 GLU 13 -20.397 -12.815 3.211 243 HG3 GLU 13 HG3 GLU 13 -18.997 -13.175 4.212 244 H ALA 14 H ALA 14 -15.667 -12.249 1.223 245 HA ALA 14 HA ALA 14 -15.999 -11.401 -1.496 246 HB1 ALA 14 HB1 ALA 14 -13.463 -11.983 0.082 247 HB2 ALA 14 HB2 ALA 14 -13.570 -11.059 -1.429 248 HB3 ALA 14 HB3 ALA 14 -14.339 -10.434 0.042 249 H LEU 15 H LEU 15 -14.892 -14.543 -0.153 250 HA LEU 15 HA LEU 15 -13.829 -15.677 -2.501 251 HB2 LEU 15 HB2 LEU 15 -13.457 -16.641 -0.410 252 HB3 LEU 15 HB3 LEU 15 -15.144 -16.759 -0.009 253 HG LEU 15 HG LEU 15 -13.946 -18.881 -0.371 254 HD11 LEU 15 HD11 LEU 15 -16.288 -18.611 -2.278 255 HD12 LEU 15 HD12 LEU 15 -15.739 -20.043 -1.397 256 HD13 LEU 15 HD13 LEU 15 -16.447 -18.678 -0.517 257 HD21 LEU 15 HD21 LEU 15 -12.674 -18.081 -2.422 258 HD22 LEU 15 HD22 LEU 15 -13.379 -19.712 -2.502 259 HD23 LEU 15 HD23 LEU 15 -14.166 -18.362 -3.332 260 H TYR 16 H TYR 16 -17.279 -15.483 -1.530 261 HA TYR 16 HA TYR 16 -18.266 -16.845 -3.874 262 HB2 TYR 16 HB2 TYR 16 -19.610 -14.951 -1.929 263 HB3 TYR 16 HB3 TYR 16 -20.452 -15.794 -3.220 264 HD1 TYR 16 HD1 TYR 16 -20.361 -18.358 -3.317 265 HD2 TYR 16 HD2 TYR 16 -19.281 -16.068 0.171 266 HE1 TYR 16 HE1 TYR 16 -20.601 -20.394 -1.909 267 HE2 TYR 16 HE2 TYR 16 -19.489 -18.116 1.579 268 HH TYR 16 HH TYR 16 -20.506 -21.268 0.212 269 H LEU 17 H LEU 17 -16.819 -13.788 -3.697 270 HA LEU 17 HA LEU 17 -18.020 -12.958 -6.312 271 HB2 LEU 17 HB2 LEU 17 -16.387 -11.337 -4.326 272 HB3 LEU 17 HB3 LEU 17 -17.124 -10.738 -5.805 273 HG LEU 17 HG LEU 17 -18.665 -11.804 -3.387 274 HD11 LEU 17 HD11 LEU 17 -18.259 -8.955 -4.373 275 HD12 LEU 17 HD12 LEU 17 -19.281 -9.467 -3.010 276 HD13 LEU 17 HD13 LEU 17 -17.526 -9.677 -2.922 277 HD21 LEU 17 HD21 LEU 17 -19.952 -12.113 -5.465 278 HD22 LEU 17 HD22 LEU 17 -20.641 -10.806 -4.498 279 HD23 LEU 17 HD23 LEU 17 -19.648 -10.420 -5.923 280 H VAL 18 H VAL 18 -15.038 -13.940 -4.731 281 HA VAL 18 HA VAL 18 -13.324 -13.268 -7.012 282 HB VAL 18 HB VAL 18 -12.798 -14.499 -4.297 283 HG11 VAL 18 HG11 VAL 18 -10.757 -13.845 -6.467 284 HG12 VAL 18 HG12 VAL 18 -10.383 -14.236 -4.773 285 HG13 VAL 18 HG13 VAL 18 -11.112 -15.458 -5.808 286 HG21 VAL 18 HG21 VAL 18 -13.293 -12.031 -4.414 287 HG22 VAL 18 HG22 VAL 18 -11.648 -12.378 -3.874 288 HG23 VAL 18 HG23 VAL 18 -11.943 -11.842 -5.545 289 H CYS 19 H CYS 19 -14.220 -16.413 -5.405 290 HA CYS 19 HA CYS 19 -13.097 -17.883 -7.709 291 HB2 CYS 19 HB2 CYS 19 -13.106 -18.657 -5.249 292 HB3 CYS 19 HB3 CYS 19 -14.795 -19.105 -5.535 293 H GLY 20 H GLY 20 -16.277 -17.012 -6.404 294 HA2 GLY 20 HA2 GLY 20 -18.095 -16.191 -7.479 295 HA3 GLY 20 HA3 GLY 20 -17.159 -16.250 -8.958 296 H GLU 21 H GLU 21 -16.975 -18.928 -9.566 297 HA GLU 21 HA GLU 21 -19.546 -18.903 -10.850 298 HB2 GLU 21 HB2 GLU 21 -18.197 -21.095 -11.942 299 HB3 GLU 21 HB3 GLU 21 -18.383 -19.479 -12.560 300 HG2 GLU 21 HG2 GLU 21 -16.125 -20.010 -12.758 301 HG3 GLU 21 HG3 GLU 21 -16.226 -18.810 -11.486 302 H ARG 22 H ARG 22 -17.964 -21.728 -9.343 303 HA ARG 22 HA ARG 22 -20.056 -23.497 -10.019 304 HB2 ARG 22 HB2 ARG 22 -17.759 -23.661 -8.042 305 HB3 ARG 22 HB3 ARG 22 -18.848 -25.017 -8.283 306 HG2 ARG 22 HG2 ARG 22 -18.179 -25.406 -10.469 307 HG3 ARG 22 HG3 ARG 22 -17.531 -23.782 -10.714 308 HD2 ARG 22 HD2 ARG 22 -16.298 -25.646 -8.662 309 HD3 ARG 22 HD3 ARG 22 -15.869 -25.766 -10.377 310 HE ARG 22 HE ARG 22 -15.653 -23.041 -9.673 311 HH11 ARG 22 HH11 ARG 22 -13.919 -25.888 -8.489 312 HH12 ARG 22 HH12 ARG 22 -12.396 -25.004 -8.538 313 HH21 ARG 22 HH21 ARG 22 -13.737 -22.128 -9.805 314 HH22 ARG 22 HH22 ARG 22 -12.311 -22.920 -9.109 315 H GLY 23 H GLY 23 -19.650 -21.855 -6.905 316 HA2 GLY 23 HA2 GLY 23 -21.022 -21.865 -4.985 317 HA3 GLY 23 HA3 GLY 23 -22.175 -22.946 -5.775 318 H PHE 24 H PHE 24 -20.224 -22.918 -3.231 319 HA PHE 24 HA PHE 24 -18.368 -25.049 -4.071 320 HB2 PHE 24 HB2 PHE 24 -17.966 -23.010 -1.895 321 HB3 PHE 24 HB3 PHE 24 -16.748 -23.914 -2.781 322 HD1 PHE 24 HD1 PHE 24 -17.950 -20.749 -2.383 323 HD2 PHE 24 HD2 PHE 24 -17.242 -23.550 -5.586 324 HE1 PHE 24 HE1 PHE 24 -17.940 -18.894 -4.014 325 HE2 PHE 24 HE2 PHE 24 -17.210 -21.661 -7.211 326 HZ PHE 24 HZ PHE 24 -17.628 -19.354 -6.433 327 H PHE 25 H PHE 25 -17.423 -26.542 -2.755 328 HA PHE 25 HA PHE 25 -19.061 -27.845 -0.770 329 HB2 PHE 25 HB2 PHE 25 -17.560 -28.983 -2.370 330 HB3 PHE 25 HB3 PHE 25 -16.161 -28.241 -1.611 331 HD1 PHE 25 HD1 PHE 25 -19.156 -30.362 -0.740 332 HD2 PHE 25 HD2 PHE 25 -14.980 -29.535 -0.032 333 HE1 PHE 25 HE1 PHE 25 -19.014 -32.346 0.749 334 HE2 PHE 25 HE2 PHE 25 -14.839 -31.535 1.434 335 HZ PHE 25 HZ PHE 25 -16.855 -32.935 1.837 336 H TYR 26 H TYR 26 -15.960 -26.080 -0.557 337 HA TYR 26 HA TYR 26 -14.857 -25.113 1.131 338 HB2 TYR 26 HB2 TYR 26 -16.602 -23.624 0.067 339 HB3 TYR 26 HB3 TYR 26 -17.528 -23.763 1.545 340 HD1 TYR 26 HD1 TYR 26 -13.981 -23.636 2.378 341 HD2 TYR 26 HD2 TYR 26 -17.302 -21.197 1.078 342 HE1 TYR 26 HE1 TYR 26 -12.757 -21.619 3.061 343 HE2 TYR 26 HE2 TYR 26 -16.040 -19.162 1.761 344 HH TYR 26 HH TYR 26 -12.720 -19.331 3.068 345 H THR 27 H THR 27 -14.727 -27.192 2.335 346 HA THR 27 HA THR 27 -16.426 -27.514 4.666 347 HB THR 27 HB THR 27 -15.795 -29.253 2.980 348 HG1 THR 27 HG1 THR 27 -15.864 -30.867 4.474 349 HG21 THR 27 HG21 THR 27 -13.235 -29.465 4.634 350 HG22 THR 27 HG22 THR 27 -13.769 -30.571 3.359 351 HG23 THR 27 HG23 THR 27 -13.330 -28.908 2.948 352 HA PRO 28 HA PRO 28 -12.354 -27.030 7.164 353 HB2 PRO 28 HB2 PRO 28 -10.886 -24.797 6.873 354 HB3 PRO 28 HB3 PRO 28 -10.785 -26.130 5.687 355 HG2 PRO 28 HG2 PRO 28 -12.436 -23.587 5.473 356 HG3 PRO 28 HG3 PRO 28 -11.328 -24.290 4.255 357 HD2 PRO 28 HD2 PRO 28 -14.055 -24.718 4.316 358 HD3 PRO 28 HD3 PRO 28 -12.895 -25.904 3.637 359 H LYS 29 H LYS 29 -14.593 -26.803 8.173 360 HA LYS 29 HA LYS 29 -16.310 -25.851 9.330 361 HB2 LYS 29 HB2 LYS 29 -14.486 -23.608 10.273 362 HB3 LYS 29 HB3 LYS 29 -16.001 -24.149 10.953 363 HG2 LYS 29 HG2 LYS 29 -14.580 -25.027 12.466 364 HG3 LYS 29 HG3 LYS 29 -14.835 -26.413 11.421 365 HD2 LYS 29 HD2 LYS 29 -12.500 -26.173 12.170 366 HD3 LYS 29 HD3 LYS 29 -12.601 -26.083 10.415 367 HE2 LYS 29 HE2 LYS 29 -12.420 -23.628 10.493 368 HE3 LYS 29 HE3 LYS 29 -12.467 -23.654 12.262 369 HZ1 LYS 29 HZ1 LYS 29 -10.312 -24.860 10.608 370 HZ2 LYS 29 HZ2 LYS 29 -10.203 -23.435 11.395 371 HZ3 LYS 29 HZ3 LYS 29 -10.347 -24.827 12.247 372 H THR 30 H THR 30 -16.879 -23.001 9.617 373 HA THR 30 HA THR 30 -16.479 -21.887 6.880 374 HB THR 30 HB THR 30 -18.869 -21.217 8.628 375 HG1 THR 30 HG1 THR 30 -20.028 -22.230 6.989 376 HG21 THR 30 HG21 THR 30 -18.041 -20.319 5.823 377 HG22 THR 30 HG22 THR 30 -19.605 -19.966 6.587 378 HG23 THR 30 HG23 THR 30 -18.123 -19.291 7.273 379 H ARG 31 H ARG 31 -15.299 -20.053 6.899 380 HA ARG 31 HA ARG 31 -13.873 -19.657 9.363 381 HB2 ARG 31 HB2 ARG 31 -13.493 -18.874 6.496 382 HB3 ARG 31 HB3 ARG 31 -12.539 -18.033 7.698 383 HG2 ARG 31 HG2 ARG 31 -12.674 -21.068 7.746 384 HG3 ARG 31 HG3 ARG 31 -11.663 -20.244 6.573 385 HD2 ARG 31 HD2 ARG 31 -10.336 -20.911 8.452 386 HD3 ARG 31 HD3 ARG 31 -10.345 -19.167 8.351 387 HE ARG 31 HE ARG 31 -11.268 -20.816 10.531 388 HH11 ARG 31 HH11 ARG 31 -11.306 -17.491 9.321 389 HH12 ARG 31 HH12 ARG 31 -12.088 -16.954 10.812 390 HH21 ARG 31 HH21 ARG 31 -12.243 -19.886 12.368 391 HH22 ARG 31 HH22 ARG 31 -12.558 -18.148 12.324 392 H ARG 32 H ARG 32 -15.435 -18.799 10.666 393 HA ARG 32 HA ARG 32 -16.319 -16.092 10.761 394 HB2 ARG 32 HB2 ARG 32 -17.309 -17.620 12.220 395 HB3 ARG 32 HB3 ARG 32 -15.781 -18.301 12.738 396 HG2 ARG 32 HG2 ARG 32 -16.998 -17.076 14.491 397 HG3 ARG 32 HG3 ARG 32 -15.336 -16.572 14.259 398 HD2 ARG 32 HD2 ARG 32 -17.003 -14.756 14.758 399 HD3 ARG 32 HD3 ARG 32 -15.945 -14.475 13.400 400 HE ARG 32 HE ARG 32 -18.831 -15.294 13.213 401 HH11 ARG 32 HH11 ARG 32 -16.074 -13.809 11.608 402 HH12 ARG 32 HH12 ARG 32 -17.115 -13.009 10.450 403 HH21 ARG 32 HH21 ARG 32 -20.021 -14.328 11.569 404 HH22 ARG 32 HH22 ARG 32 -19.195 -13.333 10.396 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -7.565 -23.395 8.258 2 H2 GLY 1 H2 GLY 1 -6.419 -24.081 7.299 3 H3 GLY 1 H3 GLY 1 -7.690 -24.972 7.838 4 HA2 GLY 1 HA2 GLY 1 -8.102 -24.454 5.561 5 HA3 GLY 1 HA3 GLY 1 -9.235 -23.554 6.590 6 H ILE 2 H ILE 2 -8.953 -22.565 4.141 7 HA ILE 2 HA ILE 2 -6.668 -21.127 3.488 8 HB ILE 2 HB ILE 2 -8.163 -21.729 1.841 9 HG12 ILE 2 HG12 ILE 2 -6.847 -19.533 1.602 10 HG13 ILE 2 HG13 ILE 2 -8.024 -20.009 0.400 11 HG21 ILE 2 HG21 ILE 2 -10.328 -19.922 2.977 12 HG22 ILE 2 HG22 ILE 2 -10.398 -20.797 1.441 13 HG23 ILE 2 HG23 ILE 2 -10.333 -21.698 2.951 14 HD11 ILE 2 HD11 ILE 2 -8.573 -17.909 2.535 15 HD12 ILE 2 HD12 ILE 2 -8.109 -17.602 0.856 16 HD13 ILE 2 HD13 ILE 2 -9.653 -18.383 1.208 17 H VAL 3 H VAL 3 -9.568 -19.614 5.074 18 HA VAL 3 HA VAL 3 -8.299 -17.030 5.013 19 HB VAL 3 HB VAL 3 -10.543 -17.922 6.828 20 HG11 VAL 3 HG11 VAL 3 -9.649 -15.134 6.014 21 HG12 VAL 3 HG12 VAL 3 -11.140 -15.523 6.898 22 HG13 VAL 3 HG13 VAL 3 -9.570 -15.832 7.646 23 HG21 VAL 3 HG21 VAL 3 -11.203 -18.247 4.515 24 HG22 VAL 3 HG22 VAL 3 -12.006 -16.804 5.129 25 HG23 VAL 3 HG23 VAL 3 -10.588 -16.655 4.070 26 H GLU 4 H GLU 4 -8.160 -19.617 7.457 27 HA GLU 4 HA GLU 4 -6.798 -18.082 9.508 28 HB2 GLU 4 HB2 GLU 4 -6.783 -21.032 8.824 29 HB3 GLU 4 HB3 GLU 4 -5.961 -20.372 10.227 30 HG2 GLU 4 HG2 GLU 4 -7.864 -19.949 11.412 31 HG3 GLU 4 HG3 GLU 4 -8.833 -19.612 9.996 32 H GLN 5 H GLN 5 -5.629 -20.021 6.718 33 HA GLN 5 HA GLN 5 -2.831 -19.529 7.097 34 HB2 GLN 5 HB2 GLN 5 -3.525 -21.299 5.656 35 HB3 GLN 5 HB3 GLN 5 -4.548 -20.247 4.709 36 HG2 GLN 5 HG2 GLN 5 -2.673 -20.755 3.371 37 HG3 GLN 5 HG3 GLN 5 -2.558 -19.065 3.805 38 HE21 GLN 5 HE21 GLN 5 0.861 -19.978 4.330 39 HE22 GLN 5 HE22 GLN 5 -0.286 -19.113 3.296 40 H CYS 6 H CYS 6 -5.336 -17.591 5.323 41 HA CYS 6 HA CYS 6 -3.422 -15.631 4.453 42 HB2 CYS 6 HB2 CYS 6 -6.390 -15.177 4.796 43 HB3 CYS 6 HB3 CYS 6 -5.271 -14.315 3.751 44 H CYS 7 H CYS 7 -5.315 -15.858 7.469 45 HA CYS 7 HA CYS 7 -4.787 -13.208 8.422 46 HB2 CYS 7 HB2 CYS 7 -5.188 -15.811 9.933 47 HB3 CYS 7 HB3 CYS 7 -5.216 -14.219 10.667 48 H THR 8 H THR 8 -2.814 -16.214 8.619 49 HA THR 8 HA THR 8 -0.762 -14.849 10.267 50 HB THR 8 HB THR 8 0.253 -17.073 10.433 51 HG1 THR 8 HG1 THR 8 -0.835 -18.839 9.583 52 HG21 THR 8 HG21 THR 8 -2.738 -17.170 11.025 53 HG22 THR 8 HG22 THR 8 -1.465 -18.151 11.779 54 HG23 THR 8 HG23 THR 8 -1.509 -16.402 12.057 55 H SER 9 H SER 9 -1.104 -16.087 6.977 56 HA SER 9 HA SER 9 1.663 -15.266 6.211 57 HB2 SER 9 HB2 SER 9 0.387 -18.023 6.054 58 HB3 SER 9 HB3 SER 9 1.864 -17.579 5.182 59 HG SER 9 HG SER 9 2.263 -18.608 7.216 60 H ILE 10 H ILE 10 1.915 -16.076 3.741 61 HA ILE 10 HA ILE 10 0.067 -14.509 2.191 62 HB ILE 10 HB ILE 10 1.330 -15.475 0.213 63 HG12 ILE 10 HG12 ILE 10 3.549 -16.403 0.591 64 HG13 ILE 10 HG13 ILE 10 3.263 -16.550 2.319 65 HG21 ILE 10 HG21 ILE 10 2.906 -14.034 2.380 66 HG22 ILE 10 HG22 ILE 10 3.249 -14.028 0.638 67 HG23 ILE 10 HG23 ILE 10 1.766 -13.284 1.243 68 HD11 ILE 10 HD11 ILE 10 1.632 -18.035 0.211 69 HD12 ILE 10 HD12 ILE 10 3.097 -18.683 0.977 70 HD13 ILE 10 HD13 ILE 10 1.682 -18.340 1.971 71 H CYS 11 H CYS 11 -1.152 -15.138 0.373 72 HA CYS 11 HA CYS 11 -2.267 -17.884 0.299 73 HB2 CYS 11 HB2 CYS 11 -3.757 -15.315 0.858 74 HB3 CYS 11 HB3 CYS 11 -4.547 -16.598 -0.057 75 H SER 12 H SER 12 -3.278 -18.450 -1.645 76 HA SER 12 HA SER 12 -2.923 -16.747 -4.045 77 HB2 SER 12 HB2 SER 12 -1.661 -19.501 -3.705 78 HB3 SER 12 HB3 SER 12 -1.722 -18.576 -5.216 79 HG SER 12 HG SER 12 0.277 -18.347 -4.069 80 H LEU 13 H LEU 13 -3.954 -17.805 -5.999 81 HA LEU 13 HA LEU 13 -6.613 -18.609 -5.348 82 HB2 LEU 13 HB2 LEU 13 -5.082 -18.652 -7.985 83 HB3 LEU 13 HB3 LEU 13 -6.768 -19.115 -7.814 84 HG LEU 13 HG LEU 13 -7.160 -16.784 -6.746 85 HD11 LEU 13 HD11 LEU 13 -4.544 -16.246 -8.231 86 HD12 LEU 13 HD12 LEU 13 -5.678 -15.001 -7.669 87 HD13 LEU 13 HD13 LEU 13 -4.835 -15.999 -6.492 88 HD21 LEU 13 HD21 LEU 13 -8.021 -17.482 -8.935 89 HD22 LEU 13 HD22 LEU 13 -7.499 -15.794 -8.971 90 HD23 LEU 13 HD23 LEU 13 -6.472 -17.052 -9.698 91 H TYR 14 H TYR 14 -3.771 -20.596 -5.851 92 HA TYR 14 HA TYR 14 -5.000 -23.136 -6.187 93 HB2 TYR 14 HB2 TYR 14 -2.612 -22.694 -6.457 94 HB3 TYR 14 HB3 TYR 14 -2.468 -22.253 -4.762 95 HD1 TYR 14 HD1 TYR 14 -0.833 -23.762 -4.019 96 HD2 TYR 14 HD2 TYR 14 -4.241 -25.272 -6.207 97 HE1 TYR 14 HE1 TYR 14 -0.116 -26.090 -3.535 98 HE2 TYR 14 HE2 TYR 14 -3.522 -27.598 -5.706 99 HH TYR 14 HH TYR 14 -0.541 -28.320 -3.849 100 H GLN 15 H GLN 15 -4.570 -21.166 -3.218 101 HA GLN 15 HA GLN 15 -5.675 -23.273 -1.491 102 HB2 GLN 15 HB2 GLN 15 -4.939 -20.371 -0.970 103 HB3 GLN 15 HB3 GLN 15 -5.649 -21.424 0.245 104 HG2 GLN 15 HG2 GLN 15 -3.018 -22.008 -1.179 105 HG3 GLN 15 HG3 GLN 15 -3.165 -21.237 0.394 106 HE21 GLN 15 HE21 GLN 15 -2.488 -24.755 1.183 107 HE22 GLN 15 HE22 GLN 15 -1.623 -23.378 0.516 108 H LEU 16 H LEU 16 -7.032 -20.691 -3.451 109 HA LEU 16 HA LEU 16 -9.667 -20.880 -2.153 110 HB2 LEU 16 HB2 LEU 16 -9.002 -19.926 -4.964 111 HB3 LEU 16 HB3 LEU 16 -10.553 -19.808 -4.151 112 HG LEU 16 HG LEU 16 -7.995 -18.344 -3.399 113 HD11 LEU 16 HD11 LEU 16 -10.704 -17.387 -4.428 114 HD12 LEU 16 HD12 LEU 16 -9.328 -16.351 -4.003 115 HD13 LEU 16 HD13 LEU 16 -9.200 -17.469 -5.370 116 HD21 LEU 16 HD21 LEU 16 -9.170 -18.826 -1.323 117 HD22 LEU 16 HD22 LEU 16 -9.424 -17.130 -1.737 118 HD23 LEU 16 HD23 LEU 16 -10.717 -18.313 -2.023 119 H GLU 17 H GLU 17 -8.215 -22.291 -5.148 120 HA GLU 17 HA GLU 17 -10.363 -24.047 -5.768 121 HB2 GLU 17 HB2 GLU 17 -7.376 -24.204 -6.306 122 HB3 GLU 17 HB3 GLU 17 -8.517 -25.356 -6.979 123 HG2 GLU 17 HG2 GLU 17 -8.599 -22.344 -7.448 124 HG3 GLU 17 HG3 GLU 17 -7.904 -23.528 -8.547 125 H ASN 18 H ASN 18 -7.983 -24.405 -3.238 126 HA ASN 18 HA ASN 18 -8.213 -27.198 -2.731 127 HB2 ASN 18 HB2 ASN 18 -6.540 -25.459 -1.852 128 HB3 ASN 18 HB3 ASN 18 -7.783 -24.964 -0.704 129 HD21 ASN 18 HD21 ASN 18 -5.729 -27.196 1.239 130 HD22 ASN 18 HD22 ASN 18 -5.738 -25.541 0.639 131 H TYR 19 H TYR 19 -10.489 -24.595 -2.122 132 HA TYR 19 HA TYR 19 -12.309 -26.443 -0.613 133 HB2 TYR 19 HB2 TYR 19 -11.736 -23.530 0.017 134 HB3 TYR 19 HB3 TYR 19 -12.850 -24.575 0.876 135 HD1 TYR 19 HD1 TYR 19 -11.756 -26.886 1.768 136 HD2 TYR 19 HD2 TYR 19 -9.567 -23.287 0.871 137 HE1 TYR 19 HE1 TYR 19 -9.894 -27.658 3.228 138 HE2 TYR 19 HE2 TYR 19 -7.706 -24.052 2.355 139 HH TYR 19 HH TYR 19 -7.807 -27.186 4.070 140 H CYS 20 H CYS 20 -12.121 -23.615 -2.742 141 HA CYS 20 HA CYS 20 -14.891 -23.818 -3.685 142 HB2 CYS 20 HB2 CYS 20 -13.633 -21.687 -3.789 143 HB3 CYS 20 HB3 CYS 20 -12.426 -22.456 -4.823 144 H GLY 21 H GLY 21 -14.667 -26.215 -3.743 145 HA2 GLY 21 HA2 GLY 21 -12.965 -27.540 -5.694 146 HA3 GLY 21 HA3 GLY 21 -14.252 -28.275 -4.741 147 H1 PHE 1 H1 PHE 1 -7.080 -9.663 -4.634 148 H2 PHE 1 H2 PHE 1 -6.987 -8.967 -3.146 149 H3 PHE 1 H3 PHE 1 -8.428 -9.463 -3.731 150 HA PHE 1 HA PHE 1 -7.624 -10.955 -2.046 151 HB2 PHE 1 HB2 PHE 1 -9.116 -11.997 -3.549 152 HB3 PHE 1 HB3 PHE 1 -7.919 -12.068 -4.839 153 HD1 PHE 1 HD1 PHE 1 -6.940 -14.164 -5.253 154 HD2 PHE 1 HD2 PHE 1 -8.215 -13.213 -1.241 155 HE1 PHE 1 HE1 PHE 1 -6.097 -16.347 -4.454 156 HE2 PHE 1 HE2 PHE 1 -7.362 -15.405 -0.452 157 HZ PHE 1 HZ PHE 1 -6.286 -16.973 -2.056 158 H VAL 2 H VAL 2 -5.440 -11.476 -4.923 159 HA VAL 2 HA VAL 2 -4.064 -13.430 -3.607 160 HB VAL 2 HB VAL 2 -4.107 -13.065 -6.017 161 HG11 VAL 2 HG11 VAL 2 -1.862 -11.042 -5.608 162 HG12 VAL 2 HG12 VAL 2 -2.494 -11.642 -7.152 163 HG13 VAL 2 HG13 VAL 2 -3.518 -10.643 -6.110 164 HG21 VAL 2 HG21 VAL 2 -2.496 -14.652 -4.967 165 HG22 VAL 2 HG22 VAL 2 -1.952 -13.999 -6.519 166 HG23 VAL 2 HG23 VAL 2 -1.256 -13.375 -5.015 167 H ASN 3 H ASN 3 -2.369 -13.773 -2.422 168 HA ASN 3 HA ASN 3 -0.800 -13.612 -0.873 169 HB2 ASN 3 HB2 ASN 3 0.198 -11.329 -2.588 170 HB3 ASN 3 HB3 ASN 3 1.109 -12.095 -1.295 171 HD21 ASN 3 HD21 ASN 3 0.866 -15.159 -3.741 172 HD22 ASN 3 HD22 ASN 3 -0.359 -14.816 -2.548 173 H GLN 4 H GLN 4 -2.790 -10.770 -0.968 174 HA GLN 4 HA GLN 4 -1.554 -9.550 1.363 175 HB2 GLN 4 HB2 GLN 4 -3.258 -7.898 1.252 176 HB3 GLN 4 HB3 GLN 4 -2.635 -8.207 -0.349 177 HG2 GLN 4 HG2 GLN 4 -4.916 -9.930 0.005 178 HG3 GLN 4 HG3 GLN 4 -5.362 -8.388 0.697 179 HE21 GLN 4 HE21 GLN 4 -4.388 -7.978 -3.284 180 HE22 GLN 4 HE22 GLN 4 -3.280 -8.910 -2.301 181 H HIS 5 H HIS 5 -2.318 -9.334 3.444 182 HA HIS 5 HA HIS 5 -3.378 -11.801 4.482 183 HB2 HIS 5 HB2 HIS 5 -2.375 -9.356 5.967 184 HB3 HIS 5 HB3 HIS 5 -2.591 -10.977 6.630 185 HD2 HIS 5 HD2 HIS 5 -0.731 -12.800 6.121 186 HE1 HIS 5 HE1 HIS 5 1.925 -10.352 3.847 187 HE2 HIS 5 HE2 HIS 5 1.658 -12.599 5.009 188 H LEU 6 H LEU 6 -5.536 -10.656 3.222 189 HA LEU 6 HA LEU 6 -7.309 -9.297 5.068 190 HB2 LEU 6 HB2 LEU 6 -7.337 -9.611 2.402 191 HB3 LEU 6 HB3 LEU 6 -8.328 -10.998 2.788 192 HG LEU 6 HG LEU 6 -9.634 -9.055 2.158 193 HD11 LEU 6 HD11 LEU 6 -10.111 -9.434 5.131 194 HD12 LEU 6 HD12 LEU 6 -11.262 -8.928 3.892 195 HD13 LEU 6 HD13 LEU 6 -10.630 -10.576 3.867 196 HD21 LEU 6 HD21 LEU 6 -8.061 -7.289 2.932 197 HD22 LEU 6 HD22 LEU 6 -9.745 -6.998 3.398 198 HD23 LEU 6 HD23 LEU 6 -8.589 -7.579 4.605 199 H CYS 7 H CYS 7 -8.747 -10.143 6.533 200 HA CYS 7 HA CYS 7 -8.631 -13.060 7.131 201 HB2 CYS 7 HB2 CYS 7 -6.713 -11.910 8.143 202 HB3 CYS 7 HB3 CYS 7 -7.789 -10.742 8.895 203 H GLY 8 H GLY 8 -10.181 -13.814 8.648 204 HA2 GLY 8 HA2 GLY 8 -12.262 -13.944 9.664 205 HA3 GLY 8 HA3 GLY 8 -12.462 -12.203 9.514 206 H SER 9 H SER 9 -14.693 -13.442 9.103 207 HA SER 9 HA SER 9 -15.186 -14.764 6.718 208 HB2 SER 9 HB2 SER 9 -17.515 -14.520 7.095 209 HB3 SER 9 HB3 SER 9 -16.718 -14.697 8.657 210 HG SER 9 HG SER 9 -17.945 -12.437 7.478 211 H HIS 10 H HIS 10 -14.611 -11.340 6.790 212 HA HIS 10 HA HIS 10 -16.026 -10.674 4.359 213 HB2 HIS 10 HB2 HIS 10 -13.505 -9.562 5.628 214 HB3 HIS 10 HB3 HIS 10 -14.143 -8.972 4.097 215 HD2 HIS 10 HD2 HIS 10 -17.120 -9.714 6.188 216 HE1 HIS 10 HE1 HIS 10 -16.297 -5.591 6.878 217 HE2 HIS 10 HE2 HIS 10 -18.023 -7.446 7.148 218 H LEU 11 H LEU 11 -13.039 -12.562 4.858 219 HA LEU 11 HA LEU 11 -12.544 -12.614 1.974 220 HB2 LEU 11 HB2 LEU 11 -10.701 -12.775 3.586 221 HB3 LEU 11 HB3 LEU 11 -11.334 -14.303 4.180 222 HG LEU 11 HG LEU 11 -10.856 -15.401 2.061 223 HD11 LEU 11 HD11 LEU 11 -9.960 -12.679 1.003 224 HD12 LEU 11 HD12 LEU 11 -9.722 -14.250 0.195 225 HD13 LEU 11 HD13 LEU 11 -11.345 -13.627 0.414 226 HD21 LEU 11 HD21 LEU 11 -8.952 -15.057 3.659 227 HD22 LEU 11 HD22 LEU 11 -8.432 -15.165 1.970 228 HD23 LEU 11 HD23 LEU 11 -8.510 -13.588 2.777 229 H VAL 12 H VAL 12 -14.505 -14.555 4.197 230 HA VAL 12 HA VAL 12 -15.056 -16.727 2.310 231 HB VAL 12 HB VAL 12 -16.710 -15.663 4.642 232 HG11 VAL 12 HG11 VAL 12 -17.132 -18.164 2.972 233 HG12 VAL 12 HG12 VAL 12 -17.950 -17.795 4.506 234 HG13 VAL 12 HG13 VAL 12 -18.227 -16.771 3.104 235 HG21 VAL 12 HG21 VAL 12 -14.566 -16.701 5.329 236 HG22 VAL 12 HG22 VAL 12 -15.970 -17.655 5.821 237 HG23 VAL 12 HG23 VAL 12 -15.009 -18.159 4.418 238 H GLU 13 H GLU 13 -16.717 -13.696 3.203 239 HA GLU 13 HA GLU 13 -18.819 -13.867 1.291 240 HB2 GLU 13 HB2 GLU 13 -17.560 -11.500 2.719 241 HB3 GLU 13 HB3 GLU 13 -19.071 -11.413 1.805 242 HG2 GLU 13 HG2 GLU 13 -20.241 -12.776 3.340 243 HG3 GLU 13 HG3 GLU 13 -18.783 -13.449 4.044 244 H ALA 14 H ALA 14 -15.582 -12.312 1.025 245 HA ALA 14 HA ALA 14 -15.980 -11.414 -1.692 246 HB1 ALA 14 HB1 ALA 14 -13.422 -11.949 -0.125 247 HB2 ALA 14 HB2 ALA 14 -13.556 -11.034 -1.642 248 HB3 ALA 14 HB3 ALA 14 -14.324 -10.414 -0.170 249 H LEU 15 H LEU 15 -14.732 -14.520 -0.341 250 HA LEU 15 HA LEU 15 -13.744 -15.600 -2.779 251 HB2 LEU 15 HB2 LEU 15 -13.036 -16.481 -0.781 252 HB3 LEU 15 HB3 LEU 15 -14.631 -16.661 -0.113 253 HG LEU 15 HG LEU 15 -13.252 -18.705 -0.615 254 HD11 LEU 15 HD11 LEU 15 -16.124 -18.572 -1.559 255 HD12 LEU 15 HD12 LEU 15 -15.231 -20.050 -1.119 256 HD13 LEU 15 HD13 LEU 15 -15.557 -18.802 0.094 257 HD21 LEU 15 HD21 LEU 15 -12.783 -18.002 -3.058 258 HD22 LEU 15 HD22 LEU 15 -13.169 -19.696 -2.696 259 HD23 LEU 15 HD23 LEU 15 -14.411 -18.648 -3.384 260 H TYR 16 H TYR 16 -17.085 -15.615 -1.487 261 HA TYR 16 HA TYR 16 -18.234 -17.021 -3.735 262 HB2 TYR 16 HB2 TYR 16 -19.406 -15.169 -1.651 263 HB3 TYR 16 HB3 TYR 16 -20.371 -15.901 -2.921 264 HD1 TYR 16 HD1 TYR 16 -20.248 -18.481 -3.226 265 HD2 TYR 16 HD2 TYR 16 -19.124 -16.409 0.385 266 HE1 TYR 16 HE1 TYR 16 -20.510 -20.589 -1.937 267 HE2 TYR 16 HE2 TYR 16 -19.369 -18.532 1.672 268 HH TYR 16 HH TYR 16 -20.429 -21.583 0.135 269 H LEU 17 H LEU 17 -16.778 -13.974 -3.815 270 HA LEU 17 HA LEU 17 -18.211 -13.309 -6.366 271 HB2 LEU 17 HB2 LEU 17 -16.433 -11.530 -4.662 272 HB3 LEU 17 HB3 LEU 17 -17.296 -11.063 -6.119 273 HG LEU 17 HG LEU 17 -18.611 -11.902 -3.490 274 HD11 LEU 17 HD11 LEU 17 -18.310 -9.160 -4.777 275 HD12 LEU 17 HD12 LEU 17 -19.194 -9.533 -3.279 276 HD13 LEU 17 HD13 LEU 17 -17.438 -9.742 -3.340 277 HD21 LEU 17 HD21 LEU 17 -20.079 -12.399 -5.404 278 HD22 LEU 17 HD22 LEU 17 -20.684 -11.003 -4.508 279 HD23 LEU 17 HD23 LEU 17 -19.825 -10.759 -6.046 280 H VAL 18 H VAL 18 -14.994 -13.736 -4.894 281 HA VAL 18 HA VAL 18 -13.492 -13.285 -7.301 282 HB VAL 18 HB VAL 18 -12.761 -14.489 -4.614 283 HG11 VAL 18 HG11 VAL 18 -10.891 -13.779 -6.915 284 HG12 VAL 18 HG12 VAL 18 -10.384 -14.134 -5.249 285 HG13 VAL 18 HG13 VAL 18 -11.141 -15.396 -6.217 286 HG21 VAL 18 HG21 VAL 18 -13.330 -12.043 -4.665 287 HG22 VAL 18 HG22 VAL 18 -11.635 -12.336 -4.265 288 HG23 VAL 18 HG23 VAL 18 -12.084 -11.801 -5.901 289 H CYS 19 H CYS 19 -14.344 -16.387 -5.617 290 HA CYS 19 HA CYS 19 -13.337 -17.904 -7.952 291 HB2 CYS 19 HB2 CYS 19 -13.212 -18.629 -5.467 292 HB3 CYS 19 HB3 CYS 19 -14.904 -19.097 -5.672 293 H GLY 20 H GLY 20 -16.433 -17.043 -6.439 294 HA2 GLY 20 HA2 GLY 20 -18.387 -16.352 -7.371 295 HA3 GLY 20 HA3 GLY 20 -17.590 -16.411 -8.929 296 H GLU 21 H GLU 21 -17.293 -19.031 -9.531 297 HA GLU 21 HA GLU 21 -19.943 -19.193 -10.579 298 HB2 GLU 21 HB2 GLU 21 -18.577 -21.375 -11.689 299 HB3 GLU 21 HB3 GLU 21 -18.877 -19.794 -12.351 300 HG2 GLU 21 HG2 GLU 21 -16.617 -20.243 -12.689 301 HG3 GLU 21 HG3 GLU 21 -16.683 -18.995 -11.463 302 H ARG 22 H ARG 22 -18.133 -21.856 -9.054 303 HA ARG 22 HA ARG 22 -20.075 -23.788 -9.622 304 HB2 ARG 22 HB2 ARG 22 -17.685 -23.652 -7.775 305 HB3 ARG 22 HB3 ARG 22 -18.689 -25.101 -7.778 306 HG2 ARG 22 HG2 ARG 22 -18.226 -25.634 -10.001 307 HG3 ARG 22 HG3 ARG 22 -17.669 -24.012 -10.419 308 HD2 ARG 22 HD2 ARG 22 -16.189 -25.673 -8.359 309 HD3 ARG 22 HD3 ARG 22 -15.908 -25.908 -10.094 310 HE ARG 22 HE ARG 22 -15.746 -23.123 -9.550 311 HH11 ARG 22 HH11 ARG 22 -13.792 -25.898 -8.555 312 HH12 ARG 22 HH12 ARG 22 -12.317 -24.955 -8.736 313 HH21 ARG 22 HH21 ARG 22 -13.878 -22.142 -9.893 314 HH22 ARG 22 HH22 ARG 22 -12.363 -22.874 -9.329 315 H GLY 23 H GLY 23 -19.858 -22.020 -6.558 316 HA2 GLY 23 HA2 GLY 23 -21.257 -22.101 -4.659 317 HA3 GLY 23 HA3 GLY 23 -22.294 -23.296 -5.443 318 H PHE 24 H PHE 24 -20.053 -22.880 -3.028 319 HA PHE 24 HA PHE 24 -18.258 -25.014 -3.826 320 HB2 PHE 24 HB2 PHE 24 -17.933 -23.068 -1.550 321 HB3 PHE 24 HB3 PHE 24 -16.672 -23.919 -2.425 322 HD1 PHE 24 HD1 PHE 24 -17.405 -20.815 -1.875 323 HD2 PHE 24 HD2 PHE 24 -17.593 -23.418 -5.311 324 HE1 PHE 24 HE1 PHE 24 -17.352 -18.858 -3.380 325 HE2 PHE 24 HE2 PHE 24 -17.601 -21.434 -6.804 326 HZ PHE 24 HZ PHE 24 -17.540 -19.156 -5.834 327 H PHE 25 H PHE 25 -17.227 -26.514 -2.552 328 HA PHE 25 HA PHE 25 -18.891 -28.014 -0.716 329 HB2 PHE 25 HB2 PHE 25 -17.376 -29.020 -2.377 330 HB3 PHE 25 HB3 PHE 25 -15.986 -28.302 -1.580 331 HD1 PHE 25 HD1 PHE 25 -18.880 -30.621 -0.961 332 HD2 PHE 25 HD2 PHE 25 -14.824 -29.562 0.061 333 HE1 PHE 25 HE1 PHE 25 -18.691 -32.674 0.425 334 HE2 PHE 25 HE2 PHE 25 -14.634 -31.627 1.430 335 HZ PHE 25 HZ PHE 25 -16.568 -33.179 1.621 336 H TYR 26 H TYR 26 -15.825 -26.231 -0.344 337 HA TYR 26 HA TYR 26 -14.691 -25.494 1.466 338 HB2 TYR 26 HB2 TYR 26 -16.361 -23.861 0.474 339 HB3 TYR 26 HB3 TYR 26 -17.320 -24.073 1.925 340 HD1 TYR 26 HD1 TYR 26 -13.978 -24.243 3.111 341 HD2 TYR 26 HD2 TYR 26 -16.780 -21.440 1.392 342 HE1 TYR 26 HE1 TYR 26 -12.663 -22.389 4.029 343 HE2 TYR 26 HE2 TYR 26 -15.421 -19.564 2.322 344 HH TYR 26 HH TYR 26 -12.413 -20.149 4.166 345 H THR 27 H THR 27 -14.631 -27.645 2.533 346 HA THR 27 HA THR 27 -16.452 -28.227 4.650 347 HB THR 27 HB THR 27 -15.492 -29.880 3.179 348 HG1 THR 27 HG1 THR 27 -15.251 -31.430 4.734 349 HG21 THR 27 HG21 THR 27 -12.911 -29.612 4.783 350 HG22 THR 27 HG22 THR 27 -13.277 -30.844 3.561 351 HG23 THR 27 HG23 THR 27 -13.118 -29.155 3.073 352 HA PRO 28 HA PRO 28 -12.970 -27.666 7.855 353 HB2 PRO 28 HB2 PRO 28 -10.981 -25.855 7.635 354 HB3 PRO 28 HB3 PRO 28 -10.954 -27.383 6.710 355 HG2 PRO 28 HG2 PRO 28 -11.999 -24.687 5.738 356 HG3 PRO 28 HG3 PRO 28 -10.733 -25.701 4.990 357 HD2 PRO 28 HD2 PRO 28 -13.312 -25.873 4.206 358 HD3 PRO 28 HD3 PRO 28 -12.316 -27.347 4.337 359 H LYS 29 H LYS 29 -15.192 -26.828 8.369 360 HA LYS 29 HA LYS 29 -16.740 -25.441 9.282 361 HB2 LYS 29 HB2 LYS 29 -14.634 -23.417 10.088 362 HB3 LYS 29 HB3 LYS 29 -16.227 -23.667 10.742 363 HG2 LYS 29 HG2 LYS 29 -15.057 -24.566 12.425 364 HG3 LYS 29 HG3 LYS 29 -15.354 -26.021 11.494 365 HD2 LYS 29 HD2 LYS 29 -13.071 -25.898 12.421 366 HD3 LYS 29 HD3 LYS 29 -13.027 -25.984 10.666 367 HE2 LYS 29 HE2 LYS 29 -12.640 -23.547 10.528 368 HE3 LYS 29 HE3 LYS 29 -12.797 -23.405 12.287 369 HZ1 LYS 29 HZ1 LYS 29 -10.662 -24.917 10.878 370 HZ2 LYS 29 HZ2 LYS 29 -10.471 -23.454 11.580 371 HZ3 LYS 29 HZ3 LYS 29 -10.794 -24.766 12.505 372 H THR 30 H THR 30 -17.547 -23.019 9.156 373 HA THR 30 HA THR 30 -16.720 -21.757 6.561 374 HB THR 30 HB THR 30 -19.155 -21.066 8.232 375 HG1 THR 30 HG1 THR 30 -20.270 -22.033 6.534 376 HG21 THR 30 HG21 THR 30 -18.194 -20.157 5.472 377 HG22 THR 30 HG22 THR 30 -19.773 -19.762 6.186 378 HG23 THR 30 HG23 THR 30 -18.294 -19.143 6.931 379 H ARG 31 H ARG 31 -15.362 -20.071 6.722 380 HA ARG 31 HA ARG 31 -14.132 -19.713 9.285 381 HB2 ARG 31 HB2 ARG 31 -13.571 -18.847 6.464 382 HB3 ARG 31 HB3 ARG 31 -12.667 -18.081 7.746 383 HG2 ARG 31 HG2 ARG 31 -12.881 -21.111 7.683 384 HG3 ARG 31 HG3 ARG 31 -11.796 -20.289 6.576 385 HD2 ARG 31 HD2 ARG 31 -10.626 -21.086 8.552 386 HD3 ARG 31 HD3 ARG 31 -10.482 -19.352 8.378 387 HE ARG 31 HE ARG 31 -11.813 -20.833 10.531 388 HH11 ARG 31 HH11 ARG 31 -11.165 -17.578 9.288 389 HH12 ARG 31 HH12 ARG 31 -12.002 -16.879 10.678 390 HH21 ARG 31 HH21 ARG 31 -12.670 -19.694 12.315 391 HH22 ARG 31 HH22 ARG 31 -12.735 -17.935 12.186 392 H ARG 32 H ARG 32 -15.232 -18.676 10.743 393 HA ARG 32 HA ARG 32 -16.330 -16.016 10.624 394 HB2 ARG 32 HB2 ARG 32 -17.159 -17.438 12.278 395 HB3 ARG 32 HB3 ARG 32 -15.573 -17.999 12.764 396 HG2 ARG 32 HG2 ARG 32 -16.763 -16.641 14.451 397 HG3 ARG 32 HG3 ARG 32 -15.129 -16.121 14.087 398 HD2 ARG 32 HD2 ARG 32 -16.820 -14.305 14.483 399 HD3 ARG 32 HD3 ARG 32 -15.838 -14.140 13.051 400 HE ARG 32 HE ARG 32 -18.702 -15.060 13.087 401 HH11 ARG 32 HH11 ARG 32 -16.095 -13.617 11.231 402 HH12 ARG 32 HH12 ARG 32 -17.209 -12.926 10.077 403 HH21 ARG 32 HH21 ARG 32 -20.013 -14.247 11.454 404 HH22 ARG 32 HH22 ARG 32 -19.295 -13.303 10.175 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -7.883 -23.378 8.472 2 H2 GLY 1 H2 GLY 1 -6.763 -24.173 7.572 3 H3 GLY 1 H3 GLY 1 -8.094 -24.960 8.120 4 HA2 GLY 1 HA2 GLY 1 -8.424 -24.538 5.810 5 HA3 GLY 1 HA3 GLY 1 -9.525 -23.520 6.760 6 H ILE 2 H ILE 2 -9.122 -22.675 4.262 7 HA ILE 2 HA ILE 2 -6.758 -21.364 3.610 8 HB ILE 2 HB ILE 2 -8.238 -21.923 1.933 9 HG12 ILE 2 HG12 ILE 2 -6.847 -19.770 1.694 10 HG13 ILE 2 HG13 ILE 2 -8.021 -20.218 0.476 11 HG21 ILE 2 HG21 ILE 2 -10.362 -20.033 3.008 12 HG22 ILE 2 HG22 ILE 2 -10.428 -20.916 1.476 13 HG23 ILE 2 HG23 ILE 2 -10.427 -21.805 2.995 14 HD11 ILE 2 HD11 ILE 2 -8.542 -18.081 2.576 15 HD12 ILE 2 HD12 ILE 2 -8.027 -17.808 0.906 16 HD13 ILE 2 HD13 ILE 2 -9.604 -18.535 1.228 17 H VAL 3 H VAL 3 -9.619 -19.680 5.087 18 HA VAL 3 HA VAL 3 -8.204 -17.176 5.017 19 HB VAL 3 HB VAL 3 -10.591 -17.884 6.721 20 HG11 VAL 3 HG11 VAL 3 -9.476 -15.178 5.911 21 HG12 VAL 3 HG12 VAL 3 -11.042 -15.457 6.701 22 HG13 VAL 3 HG13 VAL 3 -9.548 -15.843 7.556 23 HG21 VAL 3 HG21 VAL 3 -11.183 -18.253 4.424 24 HG22 VAL 3 HG22 VAL 3 -11.856 -16.697 4.898 25 HG23 VAL 3 HG23 VAL 3 -10.381 -16.761 3.914 26 H GLU 4 H GLU 4 -8.203 -19.724 7.493 27 HA GLU 4 HA GLU 4 -6.850 -18.186 9.563 28 HB2 GLU 4 HB2 GLU 4 -7.021 -21.130 8.908 29 HB3 GLU 4 HB3 GLU 4 -6.002 -20.555 10.215 30 HG2 GLU 4 HG2 GLU 4 -7.705 -20.046 11.615 31 HG3 GLU 4 HG3 GLU 4 -8.766 -19.509 10.335 32 H GLN 5 H GLN 5 -5.683 -20.137 6.783 33 HA GLN 5 HA GLN 5 -2.875 -19.681 7.218 34 HB2 GLN 5 HB2 GLN 5 -3.511 -21.443 5.764 35 HB3 GLN 5 HB3 GLN 5 -4.572 -20.425 4.831 36 HG2 GLN 5 HG2 GLN 5 -2.742 -20.847 3.443 37 HG3 GLN 5 HG3 GLN 5 -2.598 -19.173 3.926 38 HE21 GLN 5 HE21 GLN 5 0.821 -20.201 4.277 39 HE22 GLN 5 HE22 GLN 5 -0.341 -19.354 3.246 40 H CYS 6 H CYS 6 -5.335 -17.760 5.358 41 HA CYS 6 HA CYS 6 -3.421 -15.808 4.522 42 HB2 CYS 6 HB2 CYS 6 -6.384 -15.318 4.841 43 HB3 CYS 6 HB3 CYS 6 -5.252 -14.496 3.779 44 H CYS 7 H CYS 7 -5.335 -15.976 7.529 45 HA CYS 7 HA CYS 7 -4.860 -13.319 8.435 46 HB2 CYS 7 HB2 CYS 7 -5.204 -15.908 9.980 47 HB3 CYS 7 HB3 CYS 7 -5.254 -14.312 10.707 48 H THR 8 H THR 8 -2.695 -16.160 8.518 49 HA THR 8 HA THR 8 -0.693 -14.631 10.137 50 HB THR 8 HB THR 8 0.345 -16.744 10.609 51 HG1 THR 8 HG1 THR 8 -0.636 -18.671 9.864 52 HG21 THR 8 HG21 THR 8 -2.660 -17.094 10.986 53 HG22 THR 8 HG22 THR 8 -1.358 -17.844 11.930 54 HG23 THR 8 HG23 THR 8 -1.613 -16.093 12.020 55 H SER 9 H SER 9 -1.135 -16.099 6.978 56 HA SER 9 HA SER 9 1.679 -15.546 6.139 57 HB2 SER 9 HB2 SER 9 0.152 -18.171 5.930 58 HB3 SER 9 HB3 SER 9 1.784 -17.865 5.314 59 HG SER 9 HG SER 9 0.884 -18.007 7.995 60 H ILE 10 H ILE 10 1.893 -16.363 3.724 61 HA ILE 10 HA ILE 10 0.125 -14.758 2.134 62 HB ILE 10 HB ILE 10 1.357 -15.874 0.176 63 HG12 ILE 10 HG12 ILE 10 3.560 -16.795 0.617 64 HG13 ILE 10 HG13 ILE 10 3.287 -16.803 2.353 65 HG21 ILE 10 HG21 ILE 10 2.908 -14.299 2.267 66 HG22 ILE 10 HG22 ILE 10 3.285 -14.411 0.535 67 HG23 ILE 10 HG23 ILE 10 1.793 -13.624 1.060 68 HD11 ILE 10 HD11 ILE 10 1.645 -18.445 0.374 69 HD12 ILE 10 HD12 ILE 10 3.093 -19.038 1.212 70 HD13 ILE 10 HD13 ILE 10 1.670 -18.592 2.154 71 H CYS 11 H CYS 11 -1.164 -15.289 0.390 72 HA CYS 11 HA CYS 11 -2.346 -17.994 0.194 73 HB2 CYS 11 HB2 CYS 11 -3.798 -15.435 0.916 74 HB3 CYS 11 HB3 CYS 11 -4.619 -16.705 0.010 75 H SER 12 H SER 12 -3.375 -18.423 -1.768 76 HA SER 12 HA SER 12 -3.083 -16.552 -4.049 77 HB2 SER 12 HB2 SER 12 -1.792 -19.311 -3.923 78 HB3 SER 12 HB3 SER 12 -1.883 -18.283 -5.365 79 HG SER 12 HG SER 12 0.131 -18.134 -4.221 80 H LEU 13 H LEU 13 -4.078 -17.584 -6.087 81 HA LEU 13 HA LEU 13 -6.750 -18.371 -5.486 82 HB2 LEU 13 HB2 LEU 13 -5.182 -18.452 -8.102 83 HB3 LEU 13 HB3 LEU 13 -6.883 -18.859 -7.945 84 HG LEU 13 HG LEU 13 -7.173 -16.497 -6.866 85 HD11 LEU 13 HD11 LEU 13 -4.594 -16.078 -8.452 86 HD12 LEU 13 HD12 LEU 13 -5.651 -14.788 -7.847 87 HD13 LEU 13 HD13 LEU 13 -4.797 -15.816 -6.704 88 HD21 LEU 13 HD21 LEU 13 -8.128 -17.188 -9.017 89 HD22 LEU 13 HD22 LEU 13 -7.537 -15.524 -9.095 90 HD23 LEU 13 HD23 LEU 13 -6.587 -16.836 -9.833 91 H TYR 14 H TYR 14 -3.916 -20.376 -6.028 92 HA TYR 14 HA TYR 14 -5.174 -22.902 -6.368 93 HB2 TYR 14 HB2 TYR 14 -2.797 -22.451 -6.728 94 HB3 TYR 14 HB3 TYR 14 -2.581 -22.065 -5.027 95 HD1 TYR 14 HD1 TYR 14 -0.963 -23.609 -4.340 96 HD2 TYR 14 HD2 TYR 14 -4.389 -25.023 -6.562 97 HE1 TYR 14 HE1 TYR 14 -0.241 -25.956 -3.965 98 HE2 TYR 14 HE2 TYR 14 -3.666 -27.369 -6.169 99 HH TYR 14 HH TYR 14 -0.671 -28.170 -4.369 100 H GLN 15 H GLN 15 -4.694 -20.967 -3.397 101 HA GLN 15 HA GLN 15 -5.710 -23.118 -1.661 102 HB2 GLN 15 HB2 GLN 15 -4.992 -20.217 -1.124 103 HB3 GLN 15 HB3 GLN 15 -5.671 -21.288 0.093 104 HG2 GLN 15 HG2 GLN 15 -3.070 -21.864 -1.386 105 HG3 GLN 15 HG3 GLN 15 -3.180 -21.070 0.179 106 HE21 GLN 15 HE21 GLN 15 -2.480 -24.542 1.067 107 HE22 GLN 15 HE22 GLN 15 -1.637 -23.151 0.401 108 H LEU 16 H LEU 16 -7.114 -20.427 -3.478 109 HA LEU 16 HA LEU 16 -9.720 -20.634 -2.157 110 HB2 LEU 16 HB2 LEU 16 -9.099 -19.668 -4.976 111 HB3 LEU 16 HB3 LEU 16 -10.615 -19.489 -4.112 112 HG LEU 16 HG LEU 16 -7.969 -18.150 -3.424 113 HD11 LEU 16 HD11 LEU 16 -10.646 -17.058 -4.401 114 HD12 LEU 16 HD12 LEU 16 -9.221 -16.089 -3.987 115 HD13 LEU 16 HD13 LEU 16 -9.160 -17.203 -5.363 116 HD21 LEU 16 HD21 LEU 16 -9.133 -18.597 -1.325 117 HD22 LEU 16 HD22 LEU 16 -9.281 -16.883 -1.719 118 HD23 LEU 16 HD23 LEU 16 -10.656 -17.970 -1.993 119 H GLU 17 H GLU 17 -8.329 -22.052 -5.157 120 HA GLU 17 HA GLU 17 -10.478 -23.796 -5.805 121 HB2 GLU 17 HB2 GLU 17 -7.486 -23.942 -6.290 122 HB3 GLU 17 HB3 GLU 17 -8.592 -25.122 -6.962 123 HG2 GLU 17 HG2 GLU 17 -8.785 -22.121 -7.472 124 HG3 GLU 17 HG3 GLU 17 -7.934 -23.255 -8.512 125 H ASN 18 H ASN 18 -8.207 -24.114 -3.183 126 HA ASN 18 HA ASN 18 -8.370 -26.938 -2.755 127 HB2 ASN 18 HB2 ASN 18 -6.738 -25.159 -1.827 128 HB3 ASN 18 HB3 ASN 18 -7.983 -24.795 -0.632 129 HD21 ASN 18 HD21 ASN 18 -5.717 -27.068 1.055 130 HD22 ASN 18 HD22 ASN 18 -5.752 -25.394 0.507 131 H TYR 19 H TYR 19 -10.674 -24.371 -2.110 132 HA TYR 19 HA TYR 19 -12.526 -26.329 -0.793 133 HB2 TYR 19 HB2 TYR 19 -12.131 -23.434 0.017 134 HB3 TYR 19 HB3 TYR 19 -13.292 -24.563 0.708 135 HD1 TYR 19 HD1 TYR 19 -12.406 -26.704 1.839 136 HD2 TYR 19 HD2 TYR 19 -9.857 -23.385 0.796 137 HE1 TYR 19 HE1 TYR 19 -10.650 -27.567 3.382 138 HE2 TYR 19 HE2 TYR 19 -8.106 -24.246 2.359 139 HH TYR 19 HH TYR 19 -8.507 -27.283 4.186 140 H CYS 20 H CYS 20 -12.284 -23.442 -2.867 141 HA CYS 20 HA CYS 20 -14.978 -23.805 -3.986 142 HB2 CYS 20 HB2 CYS 20 -13.837 -21.602 -4.015 143 HB3 CYS 20 HB3 CYS 20 -12.546 -22.299 -4.998 144 H GLY 21 H GLY 21 -14.510 -26.202 -3.952 145 HA2 GLY 21 HA2 GLY 21 -12.657 -27.372 -5.876 146 HA3 GLY 21 HA3 GLY 21 -13.816 -28.227 -4.861 147 H1 PHE 1 H1 PHE 1 -6.837 -9.290 -4.578 148 H2 PHE 1 H2 PHE 1 -6.748 -8.651 -3.064 149 H3 PHE 1 H3 PHE 1 -8.194 -9.079 -3.691 150 HA PHE 1 HA PHE 1 -7.470 -10.654 -2.047 151 HB2 PHE 1 HB2 PHE 1 -8.965 -11.603 -3.605 152 HB3 PHE 1 HB3 PHE 1 -7.755 -11.650 -4.885 153 HD1 PHE 1 HD1 PHE 1 -6.850 -13.761 -5.384 154 HD2 PHE 1 HD2 PHE 1 -8.091 -12.926 -1.336 155 HE1 PHE 1 HE1 PHE 1 -6.049 -15.986 -4.667 156 HE2 PHE 1 HE2 PHE 1 -7.276 -15.162 -0.627 157 HZ PHE 1 HZ PHE 1 -6.235 -16.691 -2.289 158 H VAL 2 H VAL 2 -5.257 -11.160 -4.903 159 HA VAL 2 HA VAL 2 -4.005 -13.215 -3.621 160 HB VAL 2 HB VAL 2 -3.998 -12.789 -6.021 161 HG11 VAL 2 HG11 VAL 2 -1.648 -10.906 -5.539 162 HG12 VAL 2 HG12 VAL 2 -2.299 -11.430 -7.102 163 HG13 VAL 2 HG13 VAL 2 -3.275 -10.401 -6.044 164 HG21 VAL 2 HG21 VAL 2 -2.491 -14.488 -4.994 165 HG22 VAL 2 HG22 VAL 2 -1.890 -13.827 -6.521 166 HG23 VAL 2 HG23 VAL 2 -1.183 -13.281 -4.992 167 H ASN 3 H ASN 3 -2.379 -13.675 -2.385 168 HA ASN 3 HA ASN 3 -0.808 -13.623 -0.829 169 HB2 ASN 3 HB2 ASN 3 0.361 -11.426 -2.551 170 HB3 ASN 3 HB3 ASN 3 1.216 -12.264 -1.265 171 HD21 ASN 3 HD21 ASN 3 0.711 -15.297 -3.711 172 HD22 ASN 3 HD22 ASN 3 -0.462 -14.858 -2.503 173 H GLN 4 H GLN 4 -2.748 -10.808 -0.816 174 HA GLN 4 HA GLN 4 -1.394 -9.635 1.510 175 HB2 GLN 4 HB2 GLN 4 -3.051 -7.934 1.486 176 HB3 GLN 4 HB3 GLN 4 -2.412 -8.172 -0.119 177 HG2 GLN 4 HG2 GLN 4 -4.772 -9.830 0.142 178 HG3 GLN 4 HG3 GLN 4 -5.155 -8.279 0.851 179 HE21 GLN 4 HE21 GLN 4 -4.068 -7.814 -3.090 180 HE22 GLN 4 HE22 GLN 4 -3.013 -8.793 -2.096 181 H HIS 5 H HIS 5 -2.130 -9.485 3.595 182 HA HIS 5 HA HIS 5 -3.212 -11.975 4.534 183 HB2 HIS 5 HB2 HIS 5 -2.151 -9.618 6.118 184 HB3 HIS 5 HB3 HIS 5 -2.353 -11.274 6.695 185 HD2 HIS 5 HD2 HIS 5 -0.529 -13.076 5.999 186 HE1 HIS 5 HE1 HIS 5 2.071 -10.504 3.798 187 HE2 HIS 5 HE2 HIS 5 1.820 -12.823 4.813 188 H LEU 6 H LEU 6 -5.373 -10.681 3.378 189 HA LEU 6 HA LEU 6 -7.020 -9.348 5.340 190 HB2 LEU 6 HB2 LEU 6 -7.123 -9.200 2.798 191 HB3 LEU 6 HB3 LEU 6 -7.942 -10.746 2.793 192 HG LEU 6 HG LEU 6 -9.297 -8.618 2.529 193 HD11 LEU 6 HD11 LEU 6 -10.228 -10.472 4.741 194 HD12 LEU 6 HD12 LEU 6 -11.230 -9.344 3.816 195 HD13 LEU 6 HD13 LEU 6 -10.436 -10.680 2.983 196 HD21 LEU 6 HD21 LEU 6 -8.204 -7.306 4.340 197 HD22 LEU 6 HD22 LEU 6 -9.972 -7.318 4.413 198 HD23 LEU 6 HD23 LEU 6 -9.047 -8.321 5.539 199 H CYS 7 H CYS 7 -8.632 -10.161 6.673 200 HA CYS 7 HA CYS 7 -8.611 -13.097 7.193 201 HB2 CYS 7 HB2 CYS 7 -6.716 -11.982 8.301 202 HB3 CYS 7 HB3 CYS 7 -7.817 -10.845 9.061 203 H GLY 8 H GLY 8 -10.210 -13.840 8.698 204 HA2 GLY 8 HA2 GLY 8 -12.320 -13.924 9.677 205 HA3 GLY 8 HA3 GLY 8 -12.514 -12.192 9.450 206 H SER 9 H SER 9 -14.723 -13.523 9.029 207 HA SER 9 HA SER 9 -15.146 -14.929 6.688 208 HB2 SER 9 HB2 SER 9 -17.485 -14.639 6.961 209 HB3 SER 9 HB3 SER 9 -16.758 -14.730 8.564 210 HG SER 9 HG SER 9 -17.931 -12.550 7.203 211 H HIS 10 H HIS 10 -14.733 -11.447 6.730 212 HA HIS 10 HA HIS 10 -16.022 -10.830 4.250 213 HB2 HIS 10 HB2 HIS 10 -13.631 -9.630 5.671 214 HB3 HIS 10 HB3 HIS 10 -14.160 -9.059 4.094 215 HD2 HIS 10 HD2 HIS 10 -17.184 -9.949 6.150 216 HE1 HIS 10 HE1 HIS 10 -16.703 -5.735 6.553 217 HE2 HIS 10 HE2 HIS 10 -18.281 -7.698 6.935 218 H LEU 11 H LEU 11 -12.958 -12.588 4.799 219 HA LEU 11 HA LEU 11 -12.293 -12.468 1.964 220 HB2 LEU 11 HB2 LEU 11 -10.566 -12.799 3.712 221 HB3 LEU 11 HB3 LEU 11 -11.263 -14.360 4.103 222 HG LEU 11 HG LEU 11 -10.653 -15.273 1.940 223 HD11 LEU 11 HD11 LEU 11 -9.671 -12.481 1.179 224 HD12 LEU 11 HD12 LEU 11 -9.381 -13.978 0.260 225 HD13 LEU 11 HD13 LEU 11 -11.014 -13.366 0.418 226 HD21 LEU 11 HD21 LEU 11 -8.836 -15.098 3.664 227 HD22 LEU 11 HD22 LEU 11 -8.232 -15.082 2.002 228 HD23 LEU 11 HD23 LEU 11 -8.326 -13.571 2.927 229 H VAL 12 H VAL 12 -14.247 -14.669 3.963 230 HA VAL 12 HA VAL 12 -14.625 -16.695 1.895 231 HB VAL 12 HB VAL 12 -16.423 -16.054 4.264 232 HG11 VAL 12 HG11 VAL 12 -16.181 -18.557 2.545 233 HG12 VAL 12 HG12 VAL 12 -17.187 -18.384 3.999 234 HG13 VAL 12 HG13 VAL 12 -17.549 -17.426 2.566 235 HG21 VAL 12 HG21 VAL 12 -14.200 -16.623 5.100 236 HG22 VAL 12 HG22 VAL 12 -15.306 -17.969 5.364 237 HG23 VAL 12 HG23 VAL 12 -14.132 -18.046 4.030 238 H GLU 13 H GLU 13 -16.460 -13.845 3.007 239 HA GLU 13 HA GLU 13 -18.597 -13.994 1.111 240 HB2 GLU 13 HB2 GLU 13 -17.401 -11.661 2.638 241 HB3 GLU 13 HB3 GLU 13 -18.909 -11.577 1.720 242 HG2 GLU 13 HG2 GLU 13 -20.034 -13.080 3.175 243 HG3 GLU 13 HG3 GLU 13 -18.549 -13.669 3.901 244 H ALA 14 H ALA 14 -15.394 -12.360 0.896 245 HA ALA 14 HA ALA 14 -15.800 -11.365 -1.782 246 HB1 ALA 14 HB1 ALA 14 -13.243 -12.004 -0.250 247 HB2 ALA 14 HB2 ALA 14 -13.359 -11.046 -1.742 248 HB3 ALA 14 HB3 ALA 14 -14.108 -10.449 -0.249 249 H LEU 15 H LEU 15 -14.431 -14.461 -0.536 250 HA LEU 15 HA LEU 15 -13.594 -15.542 -3.015 251 HB2 LEU 15 HB2 LEU 15 -12.752 -16.367 -1.042 252 HB3 LEU 15 HB3 LEU 15 -14.302 -16.591 -0.296 253 HG LEU 15 HG LEU 15 -12.834 -18.584 -0.890 254 HD11 LEU 15 HD11 LEU 15 -15.805 -18.553 -1.427 255 HD12 LEU 15 HD12 LEU 15 -14.820 -20.022 -1.188 256 HD13 LEU 15 HD13 LEU 15 -14.981 -18.828 0.109 257 HD21 LEU 15 HD21 LEU 15 -12.656 -17.949 -3.372 258 HD22 LEU 15 HD22 LEU 15 -12.967 -19.641 -2.939 259 HD23 LEU 15 HD23 LEU 15 -14.295 -18.633 -3.516 260 H TYR 16 H TYR 16 -16.873 -15.656 -1.530 261 HA TYR 16 HA TYR 16 -18.115 -17.116 -3.672 262 HB2 TYR 16 HB2 TYR 16 -19.205 -15.091 -1.706 263 HB3 TYR 16 HB3 TYR 16 -20.206 -15.919 -2.883 264 HD1 TYR 16 HD1 TYR 16 -19.729 -18.626 -2.966 265 HD2 TYR 16 HD2 TYR 16 -19.369 -16.029 0.459 266 HE1 TYR 16 HE1 TYR 16 -20.093 -20.565 -1.460 267 HE2 TYR 16 HE2 TYR 16 -19.781 -17.972 1.966 268 HH TYR 16 HH TYR 16 -20.345 -21.276 0.708 269 H LEU 17 H LEU 17 -16.887 -13.864 -3.776 270 HA LEU 17 HA LEU 17 -18.373 -13.326 -6.315 271 HB2 LEU 17 HB2 LEU 17 -16.508 -11.531 -4.722 272 HB3 LEU 17 HB3 LEU 17 -17.437 -11.074 -6.141 273 HG LEU 17 HG LEU 17 -18.639 -11.907 -3.458 274 HD11 LEU 17 HD11 LEU 17 -18.385 -9.165 -4.756 275 HD12 LEU 17 HD12 LEU 17 -19.211 -9.536 -3.224 276 HD13 LEU 17 HD13 LEU 17 -17.459 -9.749 -3.354 277 HD21 LEU 17 HD21 LEU 17 -20.185 -12.406 -5.303 278 HD22 LEU 17 HD22 LEU 17 -20.750 -11.002 -4.392 279 HD23 LEU 17 HD23 LEU 17 -19.953 -10.770 -5.964 280 H VAL 18 H VAL 18 -15.073 -13.749 -5.049 281 HA VAL 18 HA VAL 18 -13.717 -13.263 -7.536 282 HB VAL 18 HB VAL 18 -12.838 -14.508 -4.913 283 HG11 VAL 18 HG11 VAL 18 -11.095 -13.822 -7.317 284 HG12 VAL 18 HG12 VAL 18 -10.496 -14.178 -5.682 285 HG13 VAL 18 HG13 VAL 18 -11.324 -15.434 -6.598 286 HG21 VAL 18 HG21 VAL 18 -13.373 -12.054 -4.921 287 HG22 VAL 18 HG22 VAL 18 -11.663 -12.376 -4.616 288 HG23 VAL 18 HG23 VAL 18 -12.192 -11.824 -6.221 289 H CYS 19 H CYS 19 -14.478 -16.389 -5.859 290 HA CYS 19 HA CYS 19 -13.511 -17.872 -8.224 291 HB2 CYS 19 HB2 CYS 19 -13.256 -18.567 -5.758 292 HB3 CYS 19 HB3 CYS 19 -14.941 -19.079 -5.859 293 H GLY 20 H GLY 20 -16.603 -17.033 -6.704 294 HA2 GLY 20 HA2 GLY 20 -18.591 -16.471 -7.653 295 HA3 GLY 20 HA3 GLY 20 -17.826 -16.644 -9.217 296 H GLU 21 H GLU 21 -17.476 -19.249 -9.660 297 HA GLU 21 HA GLU 21 -20.160 -19.549 -10.578 298 HB2 GLU 21 HB2 GLU 21 -18.754 -21.722 -11.662 299 HB3 GLU 21 HB3 GLU 21 -19.149 -20.184 -12.373 300 HG2 GLU 21 HG2 GLU 21 -16.888 -20.549 -12.791 301 HG3 GLU 21 HG3 GLU 21 -16.954 -19.258 -11.609 302 H ARG 22 H ARG 22 -18.184 -22.062 -9.012 303 HA ARG 22 HA ARG 22 -20.031 -24.100 -9.477 304 HB2 ARG 22 HB2 ARG 22 -17.597 -23.775 -7.720 305 HB3 ARG 22 HB3 ARG 22 -18.531 -25.265 -7.595 306 HG2 ARG 22 HG2 ARG 22 -18.154 -25.902 -9.808 307 HG3 ARG 22 HG3 ARG 22 -17.684 -24.285 -10.338 308 HD2 ARG 22 HD2 ARG 22 -16.039 -25.770 -8.270 309 HD3 ARG 22 HD3 ARG 22 -15.837 -26.096 -10.002 310 HE ARG 22 HE ARG 22 -15.762 -23.273 -9.589 311 HH11 ARG 22 HH11 ARG 22 -13.644 -25.958 -8.693 312 HH12 ARG 22 HH12 ARG 22 -12.224 -24.947 -8.923 313 HH21 ARG 22 HH21 ARG 22 -13.956 -22.220 -10.041 314 HH22 ARG 22 HH22 ARG 22 -12.389 -22.875 -9.526 315 H GLY 23 H GLY 23 -19.882 -22.239 -6.467 316 HA2 GLY 23 HA2 GLY 23 -21.205 -22.403 -4.516 317 HA3 GLY 23 HA3 GLY 23 -22.163 -23.696 -5.244 318 H PHE 24 H PHE 24 -19.934 -23.074 -2.887 319 HA PHE 24 HA PHE 24 -17.907 -24.948 -3.772 320 HB2 PHE 24 HB2 PHE 24 -17.844 -22.987 -1.481 321 HB3 PHE 24 HB3 PHE 24 -16.463 -23.713 -2.279 322 HD1 PHE 24 HD1 PHE 24 -17.028 -20.758 -1.806 323 HD2 PHE 24 HD2 PHE 24 -17.717 -23.287 -5.235 324 HE1 PHE 24 HE1 PHE 24 -16.963 -18.791 -3.296 325 HE2 PHE 24 HE2 PHE 24 -17.766 -21.289 -6.694 326 HZ PHE 24 HZ PHE 24 -17.437 -19.033 -5.717 327 H PHE 25 H PHE 25 -16.598 -26.243 -2.490 328 HA PHE 25 HA PHE 25 -18.056 -27.973 -0.612 329 HB2 PHE 25 HB2 PHE 25 -16.778 -28.798 -2.634 330 HB3 PHE 25 HB3 PHE 25 -15.295 -28.304 -1.836 331 HD1 PHE 25 HD1 PHE 25 -18.348 -30.455 -1.412 332 HD2 PHE 25 HD2 PHE 25 -14.204 -29.862 -0.376 333 HE1 PHE 25 HE1 PHE 25 -18.306 -32.678 -0.304 334 HE2 PHE 25 HE2 PHE 25 -14.164 -32.086 0.730 335 HZ PHE 25 HZ PHE 25 -16.215 -33.496 0.769 336 H TYR 26 H TYR 26 -17.666 -25.487 0.512 337 HA TYR 26 HA TYR 26 -15.227 -25.299 2.046 338 HB2 TYR 26 HB2 TYR 26 -17.150 -23.514 1.395 339 HB3 TYR 26 HB3 TYR 26 -17.700 -23.916 3.012 340 HD1 TYR 26 HD1 TYR 26 -15.618 -24.026 4.805 341 HD2 TYR 26 HD2 TYR 26 -15.712 -21.695 1.178 342 HE1 TYR 26 HE1 TYR 26 -13.796 -22.591 5.690 343 HE2 TYR 26 HE2 TYR 26 -13.911 -20.227 2.087 344 HH TYR 26 HH TYR 26 -12.261 -20.973 5.142 345 H THR 27 H THR 27 -14.678 -26.388 3.833 346 HA THR 27 HA THR 27 -16.727 -27.867 5.397 347 HB THR 27 HB THR 27 -16.074 -29.205 3.471 348 HG1 THR 27 HG1 THR 27 -15.730 -31.055 4.632 349 HG21 THR 27 HG21 THR 27 -13.300 -29.370 4.729 350 HG22 THR 27 HG22 THR 27 -13.899 -30.302 3.342 351 HG23 THR 27 HG23 THR 27 -13.701 -28.556 3.193 352 HA PRO 28 HA PRO 28 -13.032 -27.689 8.340 353 HB2 PRO 28 HB2 PRO 28 -11.056 -25.871 8.136 354 HB3 PRO 28 HB3 PRO 28 -11.043 -27.378 7.172 355 HG2 PRO 28 HG2 PRO 28 -11.964 -24.624 6.282 356 HG3 PRO 28 HG3 PRO 28 -10.847 -25.743 5.448 357 HD2 PRO 28 HD2 PRO 28 -13.526 -25.560 4.900 358 HD3 PRO 28 HD3 PRO 28 -12.608 -27.085 4.702 359 H LYS 29 H LYS 29 -15.158 -26.964 9.042 360 HA LYS 29 HA LYS 29 -16.831 -25.622 9.813 361 HB2 LYS 29 HB2 LYS 29 -14.871 -23.381 10.415 362 HB3 LYS 29 HB3 LYS 29 -16.464 -23.654 11.068 363 HG2 LYS 29 HG2 LYS 29 -15.240 -24.272 12.849 364 HG3 LYS 29 HG3 LYS 29 -15.513 -25.836 12.104 365 HD2 LYS 29 HD2 LYS 29 -13.229 -25.560 12.993 366 HD3 LYS 29 HD3 LYS 29 -13.192 -25.856 11.260 367 HE2 LYS 29 HE2 LYS 29 -12.861 -23.440 10.830 368 HE3 LYS 29 HE3 LYS 29 -13.002 -23.098 12.561 369 HZ1 LYS 29 HZ1 LYS 29 -10.854 -24.729 11.313 370 HZ2 LYS 29 HZ2 LYS 29 -10.690 -23.189 11.829 371 HZ3 LYS 29 HZ3 LYS 29 -10.971 -24.386 12.912 372 H THR 30 H THR 30 -17.265 -22.850 9.448 373 HA THR 30 HA THR 30 -16.281 -22.160 6.734 374 HB THR 30 HB THR 30 -19.000 -21.282 7.765 375 HG1 THR 30 HG1 THR 30 -19.764 -22.498 6.044 376 HG21 THR 30 HG21 THR 30 -17.523 -20.722 5.145 377 HG22 THR 30 HG22 THR 30 -19.213 -20.288 5.482 378 HG23 THR 30 HG23 THR 30 -17.914 -19.527 6.406 379 H ARG 31 H ARG 31 -15.067 -20.326 6.803 380 HA ARG 31 HA ARG 31 -14.104 -19.679 9.390 381 HB2 ARG 31 HB2 ARG 31 -13.473 -18.802 6.588 382 HB3 ARG 31 HB3 ARG 31 -12.747 -17.910 7.901 383 HG2 ARG 31 HG2 ARG 31 -12.599 -20.941 7.958 384 HG3 ARG 31 HG3 ARG 31 -11.596 -20.062 6.818 385 HD2 ARG 31 HD2 ARG 31 -10.349 -20.580 8.787 386 HD3 ARG 31 HD3 ARG 31 -10.457 -18.846 8.586 387 HE ARG 31 HE ARG 31 -11.478 -20.455 10.787 388 HH11 ARG 31 HH11 ARG 31 -11.348 -17.195 9.441 389 HH12 ARG 31 HH12 ARG 31 -12.230 -16.561 10.835 390 HH21 ARG 31 HH21 ARG 31 -12.535 -19.409 12.534 391 HH22 ARG 31 HH22 ARG 31 -12.802 -17.669 12.393 392 H ARG 32 H ARG 32 -14.830 -18.470 10.839 393 HA ARG 32 HA ARG 32 -16.424 -16.014 10.456 394 HB2 ARG 32 HB2 ARG 32 -17.352 -17.401 12.061 395 HB3 ARG 32 HB3 ARG 32 -15.807 -17.926 12.693 396 HG2 ARG 32 HG2 ARG 32 -17.166 -16.594 14.261 397 HG3 ARG 32 HG3 ARG 32 -15.521 -16.033 14.039 398 HD2 ARG 32 HD2 ARG 32 -17.268 -14.253 14.280 399 HD3 ARG 32 HD3 ARG 32 -16.192 -14.079 12.917 400 HE ARG 32 HE ARG 32 -19.023 -15.084 12.758 401 HH11 ARG 32 HH11 ARG 32 -16.346 -13.543 11.090 402 HH12 ARG 32 HH12 ARG 32 -17.395 -12.900 9.858 403 HH21 ARG 32 HH21 ARG 32 -20.243 -14.318 11.036 404 HH22 ARG 32 HH22 ARG 32 -19.473 -13.341 9.813 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -7.951 -23.244 8.742 2 H2 GLY 1 H2 GLY 1 -7.017 -24.176 7.762 3 H3 GLY 1 H3 GLY 1 -8.383 -24.790 8.434 4 HA2 GLY 1 HA2 GLY 1 -8.849 -24.333 6.149 5 HA3 GLY 1 HA3 GLY 1 -9.744 -23.202 7.183 6 H ILE 2 H ILE 2 -9.217 -22.616 4.491 7 HA ILE 2 HA ILE 2 -6.751 -21.442 3.939 8 HB ILE 2 HB ILE 2 -8.164 -22.141 2.224 9 HG12 ILE 2 HG12 ILE 2 -6.566 -20.166 1.861 10 HG13 ILE 2 HG13 ILE 2 -7.697 -20.639 0.611 11 HG21 ILE 2 HG21 ILE 2 -10.182 -19.974 2.908 12 HG22 ILE 2 HG22 ILE 2 -10.214 -21.010 1.473 13 HG23 ILE 2 HG23 ILE 2 -10.404 -21.731 3.068 14 HD11 ILE 2 HD11 ILE 2 -8.156 -18.248 2.429 15 HD12 ILE 2 HD12 ILE 2 -7.494 -18.205 0.786 16 HD13 ILE 2 HD13 ILE 2 -9.154 -18.753 1.058 17 H VAL 3 H VAL 3 -9.625 -19.625 5.181 18 HA VAL 3 HA VAL 3 -8.199 -17.118 4.997 19 HB VAL 3 HB VAL 3 -10.655 -17.811 6.609 20 HG11 VAL 3 HG11 VAL 3 -9.448 -15.085 6.003 21 HG12 VAL 3 HG12 VAL 3 -11.061 -15.371 6.691 22 HG13 VAL 3 HG13 VAL 3 -9.624 -15.824 7.611 23 HG21 VAL 3 HG21 VAL 3 -11.023 -18.015 4.205 24 HG22 VAL 3 HG22 VAL 3 -11.806 -16.547 4.791 25 HG23 VAL 3 HG23 VAL 3 -10.256 -16.443 3.930 26 H GLU 4 H GLU 4 -8.240 -19.572 7.579 27 HA GLU 4 HA GLU 4 -6.876 -17.935 9.573 28 HB2 GLU 4 HB2 GLU 4 -7.026 -20.922 9.117 29 HB3 GLU 4 HB3 GLU 4 -6.117 -20.220 10.442 30 HG2 GLU 4 HG2 GLU 4 -7.942 -19.604 11.656 31 HG3 GLU 4 HG3 GLU 4 -8.931 -19.287 10.249 32 H GLN 5 H GLN 5 -5.774 -20.058 6.904 33 HA GLN 5 HA GLN 5 -2.952 -19.668 7.297 34 HB2 GLN 5 HB2 GLN 5 -3.604 -21.469 5.933 35 HB3 GLN 5 HB3 GLN 5 -4.704 -20.506 4.989 36 HG2 GLN 5 HG2 GLN 5 -2.892 -21.020 3.579 37 HG3 GLN 5 HG3 GLN 5 -2.795 -19.309 3.923 38 HE21 GLN 5 HE21 GLN 5 0.666 -20.158 4.305 39 HE22 GLN 5 HE22 GLN 5 -0.538 -19.363 3.283 40 H CYS 6 H CYS 6 -5.376 -17.694 5.449 41 HA CYS 6 HA CYS 6 -3.377 -15.812 4.576 42 HB2 CYS 6 HB2 CYS 6 -6.334 -15.260 4.860 43 HB3 CYS 6 HB3 CYS 6 -5.167 -14.433 3.839 44 H CYS 7 H CYS 7 -5.335 -15.925 7.568 45 HA CYS 7 HA CYS 7 -4.774 -13.301 8.504 46 HB2 CYS 7 HB2 CYS 7 -5.083 -15.879 10.078 47 HB3 CYS 7 HB3 CYS 7 -5.171 -14.270 10.762 48 H THR 8 H THR 8 -2.683 -16.188 8.489 49 HA THR 8 HA THR 8 -0.600 -14.771 10.096 50 HB THR 8 HB THR 8 0.362 -16.997 10.428 51 HG1 THR 8 HG1 THR 8 -0.788 -18.801 9.757 52 HG21 THR 8 HG21 THR 8 -2.612 -16.988 11.107 53 HG22 THR 8 HG22 THR 8 -1.330 -17.914 11.912 54 HG23 THR 8 HG23 THR 8 -1.348 -16.147 12.034 55 H SER 9 H SER 9 -1.081 -16.261 6.921 56 HA SER 9 HA SER 9 1.710 -15.633 6.065 57 HB2 SER 9 HB2 SER 9 0.289 -18.318 6.140 58 HB3 SER 9 HB3 SER 9 1.773 -18.026 5.213 59 HG SER 9 HG SER 9 2.145 -18.901 7.327 60 H ILE 10 H ILE 10 1.928 -16.639 3.701 61 HA ILE 10 HA ILE 10 0.385 -14.972 1.994 62 HB ILE 10 HB ILE 10 1.574 -16.366 0.155 63 HG12 ILE 10 HG12 ILE 10 3.677 -17.410 0.790 64 HG13 ILE 10 HG13 ILE 10 3.277 -17.313 2.498 65 HG21 ILE 10 HG21 ILE 10 3.153 -14.762 2.206 66 HG22 ILE 10 HG22 ILE 10 3.611 -15.045 0.513 67 HG23 ILE 10 HG23 ILE 10 2.170 -14.093 0.884 68 HD11 ILE 10 HD11 ILE 10 1.664 -18.890 0.438 69 HD12 ILE 10 HD12 ILE 10 2.951 -19.573 1.454 70 HD13 ILE 10 HD13 ILE 10 1.488 -18.940 2.212 71 H CYS 11 H CYS 11 -0.839 -15.475 0.120 72 HA CYS 11 HA CYS 11 -2.427 -17.933 0.057 73 HB2 CYS 11 HB2 CYS 11 -3.550 -15.284 0.993 74 HB3 CYS 11 HB3 CYS 11 -4.553 -16.393 0.062 75 H SER 12 H SER 12 -3.177 -18.396 -1.883 76 HA SER 12 HA SER 12 -3.091 -16.435 -4.135 77 HB2 SER 12 HB2 SER 12 -1.887 -19.234 -4.108 78 HB3 SER 12 HB3 SER 12 -1.981 -18.161 -5.516 79 HG SER 12 HG SER 12 0.068 -18.118 -4.416 80 H LEU 13 H LEU 13 -4.209 -17.361 -6.138 81 HA LEU 13 HA LEU 13 -6.857 -18.164 -5.419 82 HB2 LEU 13 HB2 LEU 13 -5.484 -18.095 -8.142 83 HB3 LEU 13 HB3 LEU 13 -7.180 -18.462 -7.873 84 HG LEU 13 HG LEU 13 -7.193 -16.143 -6.559 85 HD11 LEU 13 HD11 LEU 13 -4.965 -15.741 -8.612 86 HD12 LEU 13 HD12 LEU 13 -5.790 -14.456 -7.708 87 HD13 LEU 13 HD13 LEU 13 -4.775 -15.614 -6.851 88 HD21 LEU 13 HD21 LEU 13 -8.581 -16.676 -8.501 89 HD22 LEU 13 HD22 LEU 13 -7.922 -15.040 -8.628 90 HD23 LEU 13 HD23 LEU 13 -7.211 -16.357 -9.591 91 H TYR 14 H TYR 14 -4.067 -20.131 -6.250 92 HA TYR 14 HA TYR 14 -5.384 -22.629 -6.648 93 HB2 TYR 14 HB2 TYR 14 -3.038 -22.190 -7.174 94 HB3 TYR 14 HB3 TYR 14 -2.677 -21.904 -5.477 95 HD1 TYR 14 HD1 TYR 14 -1.250 -23.572 -4.700 96 HD2 TYR 14 HD2 TYR 14 -4.513 -24.677 -7.308 97 HE1 TYR 14 HE1 TYR 14 -0.608 -25.963 -4.493 98 HE2 TYR 14 HE2 TYR 14 -3.873 -27.072 -7.083 99 HH TYR 14 HH TYR 14 -1.053 -28.118 -5.131 100 H GLN 15 H GLN 15 -4.769 -20.821 -3.643 101 HA GLN 15 HA GLN 15 -5.661 -23.074 -1.959 102 HB2 GLN 15 HB2 GLN 15 -4.931 -20.206 -1.277 103 HB3 GLN 15 HB3 GLN 15 -5.493 -21.390 -0.105 104 HG2 GLN 15 HG2 GLN 15 -2.990 -21.730 -1.809 105 HG3 GLN 15 HG3 GLN 15 -3.017 -21.143 -0.153 106 HE21 GLN 15 HE21 GLN 15 -2.179 -24.729 0.094 107 HE22 GLN 15 HE22 GLN 15 -1.421 -23.277 -0.543 108 H LEU 16 H LEU 16 -7.135 -20.239 -3.509 109 HA LEU 16 HA LEU 16 -9.685 -20.524 -2.118 110 HB2 LEU 16 HB2 LEU 16 -9.181 -19.475 -4.932 111 HB3 LEU 16 HB3 LEU 16 -10.653 -19.310 -3.999 112 HG LEU 16 HG LEU 16 -7.969 -18.015 -3.370 113 HD11 LEU 16 HD11 LEU 16 -10.651 -16.835 -4.220 114 HD12 LEU 16 HD12 LEU 16 -9.166 -15.927 -3.871 115 HD13 LEU 16 HD13 LEU 16 -9.224 -17.020 -5.262 116 HD21 LEU 16 HD21 LEU 16 -9.087 -18.502 -1.261 117 HD22 LEU 16 HD22 LEU 16 -9.211 -16.774 -1.601 118 HD23 LEU 16 HD23 LEU 16 -10.615 -17.827 -1.866 119 H GLU 17 H GLU 17 -8.395 -21.861 -5.187 120 HA GLU 17 HA GLU 17 -10.535 -23.610 -5.840 121 HB2 GLU 17 HB2 GLU 17 -7.547 -23.710 -6.349 122 HB3 GLU 17 HB3 GLU 17 -8.632 -24.900 -7.029 123 HG2 GLU 17 HG2 GLU 17 -8.941 -21.899 -7.489 124 HG3 GLU 17 HG3 GLU 17 -7.980 -22.949 -8.522 125 H ASN 18 H ASN 18 -8.273 -23.952 -3.212 126 HA ASN 18 HA ASN 18 -8.395 -26.812 -2.911 127 HB2 ASN 18 HB2 ASN 18 -6.733 -25.053 -1.966 128 HB3 ASN 18 HB3 ASN 18 -7.926 -24.787 -0.693 129 HD21 ASN 18 HD21 ASN 18 -5.482 -27.150 0.647 130 HD22 ASN 18 HD22 ASN 18 -5.521 -25.457 0.157 131 H TYR 19 H TYR 19 -10.661 -24.264 -2.121 132 HA TYR 19 HA TYR 19 -12.486 -26.261 -0.824 133 HB2 TYR 19 HB2 TYR 19 -12.085 -23.374 0.015 134 HB3 TYR 19 HB3 TYR 19 -13.290 -24.482 0.667 135 HD1 TYR 19 HD1 TYR 19 -12.546 -26.587 1.872 136 HD2 TYR 19 HD2 TYR 19 -9.773 -23.475 0.757 137 HE1 TYR 19 HE1 TYR 19 -10.838 -27.559 3.403 138 HE2 TYR 19 HE2 TYR 19 -8.069 -24.451 2.304 139 HH TYR 19 HH TYR 19 -8.663 -27.439 4.158 140 H CYS 20 H CYS 20 -12.289 -23.373 -2.906 141 HA CYS 20 HA CYS 20 -14.982 -23.801 -4.010 142 HB2 CYS 20 HB2 CYS 20 -13.901 -21.577 -4.058 143 HB3 CYS 20 HB3 CYS 20 -12.577 -22.248 -5.014 144 H GLY 21 H GLY 21 -14.466 -26.191 -3.971 145 HA2 GLY 21 HA2 GLY 21 -12.533 -27.325 -5.828 146 HA3 GLY 21 HA3 GLY 21 -13.694 -28.203 -4.837 147 H1 PHE 1 H1 PHE 1 -6.575 -9.009 -4.329 148 H2 PHE 1 H2 PHE 1 -6.455 -8.456 -2.785 149 H3 PHE 1 H3 PHE 1 -7.916 -8.816 -3.416 150 HA PHE 1 HA PHE 1 -7.220 -10.502 -1.875 151 HB2 PHE 1 HB2 PHE 1 -8.743 -11.308 -3.496 152 HB3 PHE 1 HB3 PHE 1 -7.519 -11.340 -4.765 153 HD1 PHE 1 HD1 PHE 1 -6.529 -13.411 -5.295 154 HD2 PHE 1 HD2 PHE 1 -8.066 -12.783 -1.314 155 HE1 PHE 1 HE1 PHE 1 -5.787 -15.672 -4.640 156 HE2 PHE 1 HE2 PHE 1 -7.326 -15.067 -0.671 157 HZ PHE 1 HZ PHE 1 -6.174 -16.513 -2.330 158 H VAL 2 H VAL 2 -5.020 -10.846 -4.764 159 HA VAL 2 HA VAL 2 -3.692 -12.967 -3.672 160 HB VAL 2 HB VAL 2 -3.645 -12.378 -6.005 161 HG11 VAL 2 HG11 VAL 2 -1.543 -10.261 -5.373 162 HG12 VAL 2 HG12 VAL 2 -2.119 -10.757 -6.973 163 HG13 VAL 2 HG13 VAL 2 -3.215 -9.922 -5.865 164 HG21 VAL 2 HG21 VAL 2 -1.949 -13.953 -5.086 165 HG22 VAL 2 HG22 VAL 2 -1.405 -13.098 -6.539 166 HG23 VAL 2 HG23 VAL 2 -0.804 -12.595 -4.951 167 H ASN 3 H ASN 3 -2.217 -13.441 -2.243 168 HA ASN 3 HA ASN 3 -0.842 -13.235 -0.472 169 HB2 ASN 3 HB2 ASN 3 0.677 -11.821 -2.682 170 HB3 ASN 3 HB3 ASN 3 1.426 -12.347 -1.175 171 HD21 ASN 3 HD21 ASN 3 1.257 -15.077 -3.974 172 HD22 ASN 3 HD22 ASN 3 1.343 -13.341 -4.243 173 H GLN 4 H GLN 4 -2.824 -11.483 0.072 174 HA GLN 4 HA GLN 4 -1.311 -9.693 1.886 175 HB2 GLN 4 HB2 GLN 4 -2.802 -7.856 1.640 176 HB3 GLN 4 HB3 GLN 4 -2.150 -8.280 0.072 177 HG2 GLN 4 HG2 GLN 4 -4.559 -9.755 0.235 178 HG3 GLN 4 HG3 GLN 4 -4.945 -8.263 1.064 179 HE21 GLN 4 HE21 GLN 4 -3.795 -7.633 -2.856 180 HE22 GLN 4 HE22 GLN 4 -2.840 -8.770 -1.923 181 H HIS 5 H HIS 5 -2.128 -9.450 3.914 182 HA HIS 5 HA HIS 5 -3.346 -11.892 4.778 183 HB2 HIS 5 HB2 HIS 5 -2.184 -9.624 6.417 184 HB3 HIS 5 HB3 HIS 5 -2.505 -11.265 6.979 185 HD2 HIS 5 HD2 HIS 5 -0.717 -13.123 6.468 186 HE1 HIS 5 HE1 HIS 5 2.015 -10.791 4.164 187 HE2 HIS 5 HE2 HIS 5 1.667 -13.022 5.337 188 H LEU 6 H LEU 6 -5.443 -10.588 3.628 189 HA LEU 6 HA LEU 6 -7.156 -9.274 5.560 190 HB2 LEU 6 HB2 LEU 6 -7.223 -9.398 2.900 191 HB3 LEU 6 HB3 LEU 6 -8.200 -10.821 3.178 192 HG LEU 6 HG LEU 6 -9.566 -8.906 2.711 193 HD11 LEU 6 HD11 LEU 6 -9.964 -9.294 5.690 194 HD12 LEU 6 HD12 LEU 6 -11.155 -8.903 4.450 195 HD13 LEU 6 HD13 LEU 6 -10.426 -10.513 4.479 196 HD21 LEU 6 HD21 LEU 6 -8.009 -7.133 3.462 197 HD22 LEU 6 HD22 LEU 6 -9.662 -6.893 4.051 198 HD23 LEU 6 HD23 LEU 6 -8.414 -7.499 5.153 199 H CYS 7 H CYS 7 -8.607 -10.144 6.985 200 HA CYS 7 HA CYS 7 -8.613 -13.094 7.415 201 HB2 CYS 7 HB2 CYS 7 -6.725 -11.977 8.567 202 HB3 CYS 7 HB3 CYS 7 -7.860 -10.907 9.376 203 H GLY 8 H GLY 8 -10.290 -13.895 8.765 204 HA2 GLY 8 HA2 GLY 8 -12.441 -13.983 9.673 205 HA3 GLY 8 HA3 GLY 8 -12.587 -12.236 9.548 206 H SER 9 H SER 9 -14.795 -13.494 8.954 207 HA SER 9 HA SER 9 -15.115 -14.798 6.555 208 HB2 SER 9 HB2 SER 9 -17.465 -14.561 6.766 209 HB3 SER 9 HB3 SER 9 -16.783 -14.696 8.385 210 HG SER 9 HG SER 9 -17.951 -12.480 7.067 211 H HIS 10 H HIS 10 -14.586 -11.365 6.613 212 HA HIS 10 HA HIS 10 -15.928 -10.759 4.131 213 HB2 HIS 10 HB2 HIS 10 -13.742 -9.463 5.731 214 HB3 HIS 10 HB3 HIS 10 -13.932 -9.009 4.037 215 HD2 HIS 10 HD2 HIS 10 -16.288 -9.341 7.151 216 HE1 HIS 10 HE1 HIS 10 -17.953 -6.391 4.561 217 HE2 HIS 10 HE2 HIS 10 -18.231 -7.602 6.783 218 H LEU 11 H LEU 11 -12.895 -12.522 4.722 219 HA LEU 11 HA LEU 11 -12.379 -12.562 1.821 220 HB2 LEU 11 HB2 LEU 11 -10.505 -12.450 3.350 221 HB3 LEU 11 HB3 LEU 11 -10.949 -13.995 4.067 222 HG LEU 11 HG LEU 11 -10.406 -15.168 1.991 223 HD11 LEU 11 HD11 LEU 11 -9.767 -12.437 0.779 224 HD12 LEU 11 HD12 LEU 11 -9.448 -14.031 0.044 225 HD13 LEU 11 HD13 LEU 11 -11.099 -13.505 0.281 226 HD21 LEU 11 HD21 LEU 11 -8.544 -14.592 3.541 227 HD22 LEU 11 HD22 LEU 11 -8.018 -14.709 1.853 228 HD23 LEU 11 HD23 LEU 11 -8.239 -13.119 2.603 229 H VAL 12 H VAL 12 -14.438 -14.363 3.912 230 HA VAL 12 HA VAL 12 -14.685 -16.663 2.047 231 HB VAL 12 HB VAL 12 -16.429 -15.821 4.396 232 HG11 VAL 12 HG11 VAL 12 -16.557 -18.307 2.647 233 HG12 VAL 12 HG12 VAL 12 -17.436 -18.074 4.175 234 HG13 VAL 12 HG13 VAL 12 -17.794 -17.037 2.799 235 HG21 VAL 12 HG21 VAL 12 -14.235 -16.636 5.125 236 HG22 VAL 12 HG22 VAL 12 -15.485 -17.835 5.469 237 HG23 VAL 12 HG23 VAL 12 -14.401 -18.063 4.077 238 H GLU 13 H GLU 13 -16.500 -13.732 2.969 239 HA GLU 13 HA GLU 13 -18.566 -13.938 1.013 240 HB2 GLU 13 HB2 GLU 13 -17.405 -11.561 2.508 241 HB3 GLU 13 HB3 GLU 13 -18.889 -11.499 1.549 242 HG2 GLU 13 HG2 GLU 13 -20.056 -12.956 3.015 243 HG3 GLU 13 HG3 GLU 13 -18.593 -13.544 3.783 244 H ALA 14 H ALA 14 -15.385 -12.222 0.856 245 HA ALA 14 HA ALA 14 -15.720 -11.361 -1.869 246 HB1 ALA 14 HB1 ALA 14 -13.184 -11.890 -0.266 247 HB2 ALA 14 HB2 ALA 14 -13.297 -10.976 -1.783 248 HB3 ALA 14 HB3 ALA 14 -14.088 -10.356 -0.323 249 H LEU 15 H LEU 15 -14.429 -14.431 -0.479 250 HA LEU 15 HA LEU 15 -13.473 -15.543 -2.930 251 HB2 LEU 15 HB2 LEU 15 -12.665 -16.401 -0.976 252 HB3 LEU 15 HB3 LEU 15 -14.220 -16.528 -0.208 253 HG LEU 15 HG LEU 15 -12.895 -18.606 -0.709 254 HD11 LEU 15 HD11 LEU 15 -15.835 -18.484 -1.410 255 HD12 LEU 15 HD12 LEU 15 -14.915 -19.941 -0.948 256 HD13 LEU 15 HD13 LEU 15 -15.132 -18.610 0.199 257 HD21 LEU 15 HD21 LEU 15 -12.593 -18.067 -3.202 258 HD22 LEU 15 HD22 LEU 15 -13.018 -19.724 -2.728 259 HD23 LEU 15 HD23 LEU 15 -14.259 -18.660 -3.391 260 H TYR 16 H TYR 16 -16.776 -15.672 -1.482 261 HA TYR 16 HA TYR 16 -17.956 -17.163 -3.635 262 HB2 TYR 16 HB2 TYR 16 -19.102 -15.188 -1.653 263 HB3 TYR 16 HB3 TYR 16 -20.081 -15.975 -2.878 264 HD1 TYR 16 HD1 TYR 16 -19.719 -18.641 -3.065 265 HD2 TYR 16 HD2 TYR 16 -19.139 -16.247 0.478 266 HE1 TYR 16 HE1 TYR 16 -20.075 -20.651 -1.653 267 HE2 TYR 16 HE2 TYR 16 -19.537 -18.266 1.892 268 HH TYR 16 HH TYR 16 -20.269 -21.470 0.485 269 H LEU 17 H LEU 17 -16.958 -13.789 -3.621 270 HA LEU 17 HA LEU 17 -18.395 -13.276 -6.171 271 HB2 LEU 17 HB2 LEU 17 -16.531 -11.533 -4.519 272 HB3 LEU 17 HB3 LEU 17 -17.379 -11.023 -5.973 273 HG LEU 17 HG LEU 17 -18.761 -11.921 -3.400 274 HD11 LEU 17 HD11 LEU 17 -18.326 -9.130 -4.534 275 HD12 LEU 17 HD12 LEU 17 -19.270 -9.544 -3.084 276 HD13 LEU 17 HD13 LEU 17 -17.522 -9.815 -3.103 277 HD21 LEU 17 HD21 LEU 17 -20.202 -12.271 -5.355 278 HD22 LEU 17 HD22 LEU 17 -20.771 -10.887 -4.420 279 HD23 LEU 17 HD23 LEU 17 -19.865 -10.619 -5.926 280 H VAL 18 H VAL 18 -15.069 -13.797 -5.027 281 HA VAL 18 HA VAL 18 -13.793 -13.283 -7.563 282 HB VAL 18 HB VAL 18 -12.856 -14.561 -4.978 283 HG11 VAL 18 HG11 VAL 18 -11.181 -13.997 -7.461 284 HG12 VAL 18 HG12 VAL 18 -10.531 -14.343 -5.844 285 HG13 VAL 18 HG13 VAL 18 -11.449 -15.581 -6.695 286 HG21 VAL 18 HG21 VAL 18 -13.278 -12.079 -5.017 287 HG22 VAL 18 HG22 VAL 18 -11.579 -12.484 -4.748 288 HG23 VAL 18 HG23 VAL 18 -12.120 -11.932 -6.349 289 H CYS 19 H CYS 19 -14.534 -16.410 -5.879 290 HA CYS 19 HA CYS 19 -13.610 -17.879 -8.255 291 HB2 CYS 19 HB2 CYS 19 -13.289 -18.538 -5.788 292 HB3 CYS 19 HB3 CYS 19 -14.956 -19.102 -5.851 293 H GLY 20 H GLY 20 -16.711 -17.037 -6.765 294 HA2 GLY 20 HA2 GLY 20 -18.709 -16.571 -7.747 295 HA3 GLY 20 HA3 GLY 20 -17.940 -16.831 -9.297 296 H GLU 21 H GLU 21 -17.569 -19.411 -9.645 297 HA GLU 21 HA GLU 21 -20.280 -19.763 -10.478 298 HB2 GLU 21 HB2 GLU 21 -18.855 -21.892 -11.620 299 HB3 GLU 21 HB3 GLU 21 -19.312 -20.360 -12.309 300 HG2 GLU 21 HG2 GLU 21 -17.057 -20.662 -12.802 301 HG3 GLU 21 HG3 GLU 21 -17.115 -19.384 -11.605 302 H ARG 22 H ARG 22 -18.192 -22.224 -8.975 303 HA ARG 22 HA ARG 22 -19.975 -24.318 -9.398 304 HB2 ARG 22 HB2 ARG 22 -17.528 -23.903 -7.685 305 HB3 ARG 22 HB3 ARG 22 -18.414 -25.417 -7.517 306 HG2 ARG 22 HG2 ARG 22 -18.060 -26.086 -9.721 307 HG3 ARG 22 HG3 ARG 22 -17.661 -24.465 -10.295 308 HD2 ARG 22 HD2 ARG 22 -15.916 -25.843 -8.236 309 HD3 ARG 22 HD3 ARG 22 -15.741 -26.200 -9.965 310 HE ARG 22 HE ARG 22 -15.765 -23.368 -9.612 311 HH11 ARG 22 HH11 ARG 22 -13.528 -25.952 -8.712 312 HH12 ARG 22 HH12 ARG 22 -12.153 -24.894 -8.999 313 HH21 ARG 22 HH21 ARG 22 -14.014 -22.254 -10.122 314 HH22 ARG 22 HH22 ARG 22 -12.412 -22.836 -9.627 315 H GLY 23 H GLY 23 -19.887 -22.429 -6.409 316 HA2 GLY 23 HA2 GLY 23 -21.199 -22.627 -4.452 317 HA3 GLY 23 HA3 GLY 23 -22.088 -23.981 -5.155 318 H PHE 24 H PHE 24 -19.918 -23.213 -2.798 319 HA PHE 24 HA PHE 24 -17.789 -25.021 -3.608 320 HB2 PHE 24 HB2 PHE 24 -17.849 -22.975 -1.393 321 HB3 PHE 24 HB3 PHE 24 -16.423 -23.686 -2.123 322 HD1 PHE 24 HD1 PHE 24 -16.910 -20.775 -1.791 323 HD2 PHE 24 HD2 PHE 24 -17.752 -23.380 -5.124 324 HE1 PHE 24 HE1 PHE 24 -16.821 -18.854 -3.344 325 HE2 PHE 24 HE2 PHE 24 -17.804 -21.425 -6.637 326 HZ PHE 24 HZ PHE 24 -17.385 -19.152 -5.739 327 H PHE 25 H PHE 25 -16.364 -26.055 -2.091 328 HA PHE 25 HA PHE 25 -17.872 -27.968 -0.425 329 HB2 PHE 25 HB2 PHE 25 -16.430 -28.598 -2.436 330 HB3 PHE 25 HB3 PHE 25 -15.030 -28.155 -1.477 331 HD1 PHE 25 HD1 PHE 25 -18.032 -30.396 -1.580 332 HD2 PHE 25 HD2 PHE 25 -14.075 -29.784 0.023 333 HE1 PHE 25 HE1 PHE 25 -18.039 -32.711 -0.675 334 HE2 PHE 25 HE2 PHE 25 -14.086 -32.098 0.929 335 HZ PHE 25 HZ PHE 25 -16.067 -33.564 0.581 336 H TYR 26 H TYR 26 -17.532 -25.441 0.784 337 HA TYR 26 HA TYR 26 -15.230 -25.338 2.503 338 HB2 TYR 26 HB2 TYR 26 -17.437 -23.656 1.932 339 HB3 TYR 26 HB3 TYR 26 -17.582 -24.021 3.639 340 HD1 TYR 26 HD1 TYR 26 -15.058 -24.040 4.843 341 HD2 TYR 26 HD2 TYR 26 -16.324 -21.646 1.483 342 HE1 TYR 26 HE1 TYR 26 -13.264 -22.402 5.344 343 HE2 TYR 26 HE2 TYR 26 -14.521 -19.998 1.999 344 HH TYR 26 HH TYR 26 -12.139 -20.555 4.583 345 H THR 27 H THR 27 -14.761 -26.533 4.231 346 HA THR 27 HA THR 27 -16.869 -27.928 5.769 347 HB THR 27 HB THR 27 -16.369 -29.324 3.844 348 HG1 THR 27 HG1 THR 27 -16.133 -31.183 5.016 349 HG21 THR 27 HG21 THR 27 -13.583 -29.711 5.019 350 HG22 THR 27 HG22 THR 27 -14.297 -30.575 3.643 351 HG23 THR 27 HG23 THR 27 -13.957 -28.851 3.500 352 HA PRO 28 HA PRO 28 -13.143 -27.926 8.665 353 HB2 PRO 28 HB2 PRO 28 -10.996 -26.335 8.354 354 HB3 PRO 28 HB3 PRO 28 -11.141 -27.886 7.476 355 HG2 PRO 28 HG2 PRO 28 -11.786 -25.108 6.434 356 HG3 PRO 28 HG3 PRO 28 -10.794 -26.382 5.664 357 HD2 PRO 28 HD2 PRO 28 -13.447 -25.953 5.115 358 HD3 PRO 28 HD3 PRO 28 -12.682 -27.566 4.986 359 H LYS 29 H LYS 29 -15.219 -26.943 9.232 360 HA LYS 29 HA LYS 29 -16.765 -25.420 9.890 361 HB2 LYS 29 HB2 LYS 29 -14.657 -23.293 10.354 362 HB3 LYS 29 HB3 LYS 29 -16.273 -23.392 10.991 363 HG2 LYS 29 HG2 LYS 29 -15.197 -23.994 12.854 364 HG3 LYS 29 HG3 LYS 29 -15.458 -25.592 12.181 365 HD2 LYS 29 HD2 LYS 29 -13.214 -25.306 13.161 366 HD3 LYS 29 HD3 LYS 29 -13.097 -25.679 11.445 367 HE2 LYS 29 HE2 LYS 29 -12.711 -23.297 10.921 368 HE3 LYS 29 HE3 LYS 29 -12.954 -22.863 12.620 369 HZ1 LYS 29 HZ1 LYS 29 -10.742 -24.554 11.588 370 HZ2 LYS 29 HZ2 LYS 29 -10.612 -22.987 12.037 371 HZ3 LYS 29 HZ3 LYS 29 -10.953 -24.132 13.159 372 H THR 30 H THR 30 -17.454 -22.986 9.313 373 HA THR 30 HA THR 30 -16.387 -22.179 6.634 374 HB THR 30 HB THR 30 -19.045 -21.328 7.830 375 HG1 THR 30 HG1 THR 30 -19.890 -22.497 6.117 376 HG21 THR 30 HG21 THR 30 -17.699 -20.671 5.163 377 HG22 THR 30 HG22 THR 30 -19.376 -20.267 5.590 378 HG23 THR 30 HG23 THR 30 -18.044 -19.521 6.478 379 H ARG 31 H ARG 31 -15.246 -20.284 6.646 380 HA ARG 31 HA ARG 31 -14.140 -19.672 9.217 381 HB2 ARG 31 HB2 ARG 31 -13.547 -18.975 6.365 382 HB3 ARG 31 HB3 ARG 31 -12.767 -18.013 7.595 383 HG2 ARG 31 HG2 ARG 31 -12.694 -21.041 7.820 384 HG3 ARG 31 HG3 ARG 31 -11.668 -20.229 6.651 385 HD2 ARG 31 HD2 ARG 31 -10.423 -20.664 8.648 386 HD3 ARG 31 HD3 ARG 31 -10.546 -18.936 8.401 387 HE ARG 31 HE ARG 31 -11.519 -20.486 10.650 388 HH11 ARG 31 HH11 ARG 31 -11.610 -17.275 9.180 389 HH12 ARG 31 HH12 ARG 31 -12.486 -16.652 10.585 390 HH21 ARG 31 HH21 ARG 31 -12.612 -19.459 12.360 391 HH22 ARG 31 HH22 ARG 31 -12.995 -17.745 12.163 392 H ARG 32 H ARG 32 -15.522 -18.706 10.520 393 HA ARG 32 HA ARG 32 -16.700 -16.088 10.248 394 HB2 ARG 32 HB2 ARG 32 -17.664 -17.476 11.832 395 HB3 ARG 32 HB3 ARG 32 -16.132 -18.058 12.446 396 HG2 ARG 32 HG2 ARG 32 -17.437 -16.725 14.051 397 HG3 ARG 32 HG3 ARG 32 -15.783 -16.197 13.823 398 HD2 ARG 32 HD2 ARG 32 -17.486 -14.385 14.121 399 HD3 ARG 32 HD3 ARG 32 -16.422 -14.204 12.750 400 HE ARG 32 HE ARG 32 -19.281 -15.128 12.611 401 HH11 ARG 32 HH11 ARG 32 -16.576 -13.658 10.928 402 HH12 ARG 32 HH12 ARG 32 -17.610 -12.965 9.713 403 HH21 ARG 32 HH21 ARG 32 -20.501 -14.295 10.924 404 HH22 ARG 32 HH22 ARG 32 -19.721 -13.325 9.702 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -9.459 -22.981 8.974 2 H2 GLY 1 H2 GLY 1 -8.787 -24.228 8.151 3 H3 GLY 1 H3 GLY 1 -10.329 -24.355 8.710 4 HA2 GLY 1 HA2 GLY 1 -10.323 -23.982 6.328 5 HA3 GLY 1 HA3 GLY 1 -11.120 -22.676 7.220 6 H ILE 2 H ILE 2 -9.955 -22.465 4.573 7 HA ILE 2 HA ILE 2 -7.279 -21.783 4.524 8 HB ILE 2 HB ILE 2 -8.600 -22.461 2.663 9 HG12 ILE 2 HG12 ILE 2 -6.378 -21.091 2.498 10 HG13 ILE 2 HG13 ILE 2 -7.269 -21.644 1.100 11 HG21 ILE 2 HG21 ILE 2 -9.861 -19.701 2.575 12 HG22 ILE 2 HG22 ILE 2 -9.975 -20.938 1.307 13 HG23 ILE 2 HG23 ILE 2 -10.669 -21.252 2.894 14 HD11 ILE 2 HD11 ILE 2 -7.543 -18.813 2.162 15 HD12 ILE 2 HD12 ILE 2 -6.389 -19.304 0.905 16 HD13 ILE 2 HD13 ILE 2 -8.127 -19.458 0.619 17 H VAL 3 H VAL 3 -9.868 -19.445 5.260 18 HA VAL 3 HA VAL 3 -8.203 -17.134 4.921 19 HB VAL 3 HB VAL 3 -10.584 -17.451 6.746 20 HG11 VAL 3 HG11 VAL 3 -9.180 -14.939 5.803 21 HG12 VAL 3 HG12 VAL 3 -10.797 -14.979 6.536 22 HG13 VAL 3 HG13 VAL 3 -9.392 -15.498 7.470 23 HG21 VAL 3 HG21 VAL 3 -11.240 -17.908 4.462 24 HG22 VAL 3 HG22 VAL 3 -11.810 -16.301 4.905 25 HG23 VAL 3 HG23 VAL 3 -10.368 -16.483 3.883 26 H GLU 4 H GLU 4 -8.257 -19.487 7.590 27 HA GLU 4 HA GLU 4 -6.806 -17.811 9.489 28 HB2 GLU 4 HB2 GLU 4 -7.201 -20.804 9.228 29 HB3 GLU 4 HB3 GLU 4 -6.170 -20.112 10.468 30 HG2 GLU 4 HG2 GLU 4 -7.873 -19.129 11.651 31 HG3 GLU 4 HG3 GLU 4 -8.918 -18.957 10.259 32 H GLN 5 H GLN 5 -5.817 -19.972 6.834 33 HA GLN 5 HA GLN 5 -2.960 -19.758 7.280 34 HB2 GLN 5 HB2 GLN 5 -3.673 -21.542 5.909 35 HB3 GLN 5 HB3 GLN 5 -4.729 -20.534 4.960 36 HG2 GLN 5 HG2 GLN 5 -2.957 -21.113 3.547 37 HG3 GLN 5 HG3 GLN 5 -2.774 -19.411 3.903 38 HE21 GLN 5 HE21 GLN 5 0.645 -20.416 4.256 39 HE22 GLN 5 HE22 GLN 5 -0.530 -19.568 3.243 40 H CYS 6 H CYS 6 -5.342 -17.711 5.497 41 HA CYS 6 HA CYS 6 -3.304 -15.922 4.506 42 HB2 CYS 6 HB2 CYS 6 -6.225 -15.238 4.880 43 HB3 CYS 6 HB3 CYS 6 -5.066 -14.531 3.762 44 H CYS 7 H CYS 7 -5.301 -15.868 7.494 45 HA CYS 7 HA CYS 7 -4.621 -13.255 8.351 46 HB2 CYS 7 HB2 CYS 7 -5.100 -15.726 10.048 47 HB3 CYS 7 HB3 CYS 7 -5.198 -14.066 10.608 48 H THR 8 H THR 8 -2.687 -16.259 8.578 49 HA THR 8 HA THR 8 -0.574 -14.861 10.154 50 HB THR 8 HB THR 8 0.366 -17.045 10.541 51 HG1 THR 8 HG1 THR 8 -0.764 -18.890 9.781 52 HG21 THR 8 HG21 THR 8 -2.645 -17.206 10.992 53 HG22 THR 8 HG22 THR 8 -1.375 -18.078 11.874 54 HG23 THR 8 HG23 THR 8 -1.501 -16.318 12.025 55 H SER 9 H SER 9 -1.071 -16.314 6.968 56 HA SER 9 HA SER 9 1.767 -15.837 6.155 57 HB2 SER 9 HB2 SER 9 0.176 -18.419 5.906 58 HB3 SER 9 HB3 SER 9 1.834 -18.152 5.349 59 HG SER 9 HG SER 9 0.836 -18.279 7.994 60 H ILE 10 H ILE 10 1.928 -16.795 3.727 61 HA ILE 10 HA ILE 10 0.328 -15.036 2.122 62 HB ILE 10 HB ILE 10 1.452 -16.276 0.171 63 HG12 ILE 10 HG12 ILE 10 3.580 -17.365 0.633 64 HG13 ILE 10 HG13 ILE 10 3.288 -17.349 2.365 65 HG21 ILE 10 HG21 ILE 10 3.129 -14.817 2.250 66 HG22 ILE 10 HG22 ILE 10 3.498 -14.977 0.520 67 HG23 ILE 10 HG23 ILE 10 2.077 -14.060 1.034 68 HD11 ILE 10 HD11 ILE 10 1.546 -18.853 0.361 69 HD12 ILE 10 HD12 ILE 10 2.926 -19.562 1.225 70 HD13 ILE 10 HD13 ILE 10 1.527 -18.998 2.141 71 H CYS 11 H CYS 11 -1.041 -15.406 0.431 72 HA CYS 11 HA CYS 11 -2.417 -17.995 0.123 73 HB2 CYS 11 HB2 CYS 11 -3.697 -15.414 1.056 74 HB3 CYS 11 HB3 CYS 11 -4.609 -16.554 0.069 75 H SER 12 H SER 12 -3.428 -18.267 -1.837 76 HA SER 12 HA SER 12 -3.136 -16.294 -4.029 77 HB2 SER 12 HB2 SER 12 -1.888 -19.076 -4.053 78 HB3 SER 12 HB3 SER 12 -1.987 -17.982 -5.442 79 HG SER 12 HG SER 12 0.049 -17.932 -4.330 80 H LEU 13 H LEU 13 -4.226 -17.167 -6.069 81 HA LEU 13 HA LEU 13 -6.889 -17.928 -5.449 82 HB2 LEU 13 HB2 LEU 13 -5.379 -18.037 -8.090 83 HB3 LEU 13 HB3 LEU 13 -7.123 -18.215 -7.940 84 HG LEU 13 HG LEU 13 -5.594 -15.709 -7.112 85 HD11 LEU 13 HD11 LEU 13 -7.243 -16.272 -9.609 86 HD12 LEU 13 HD12 LEU 13 -6.515 -14.713 -9.158 87 HD13 LEU 13 HD13 LEU 13 -5.475 -16.094 -9.543 88 HD21 LEU 13 HD21 LEU 13 -7.747 -15.932 -5.925 89 HD22 LEU 13 HD22 LEU 13 -7.838 -14.653 -7.133 90 HD23 LEU 13 HD23 LEU 13 -8.582 -16.233 -7.464 91 H TYR 14 H TYR 14 -4.161 -20.017 -6.314 92 HA TYR 14 HA TYR 14 -5.636 -22.414 -6.767 93 HB2 TYR 14 HB2 TYR 14 -3.281 -22.066 -7.373 94 HB3 TYR 14 HB3 TYR 14 -2.838 -21.971 -5.673 95 HD1 TYR 14 HD1 TYR 14 -1.694 -23.870 -4.929 96 HD2 TYR 14 HD2 TYR 14 -4.845 -24.345 -7.845 97 HE1 TYR 14 HE1 TYR 14 -1.300 -26.325 -4.958 98 HE2 TYR 14 HE2 TYR 14 -4.456 -26.805 -7.856 99 HH TYR 14 HH TYR 14 -1.903 -28.342 -5.863 100 H GLN 15 H GLN 15 -4.884 -20.764 -3.730 101 HA GLN 15 HA GLN 15 -5.726 -23.076 -2.104 102 HB2 GLN 15 HB2 GLN 15 -4.940 -20.241 -1.350 103 HB3 GLN 15 HB3 GLN 15 -5.455 -21.464 -0.199 104 HG2 GLN 15 HG2 GLN 15 -3.036 -21.738 -2.023 105 HG3 GLN 15 HG3 GLN 15 -2.993 -21.265 -0.330 106 HE21 GLN 15 HE21 GLN 15 -2.225 -24.905 -0.462 107 HE22 GLN 15 HE22 GLN 15 -1.480 -23.446 -1.098 108 H LEU 16 H LEU 16 -7.311 -20.350 -3.643 109 HA LEU 16 HA LEU 16 -9.819 -20.770 -2.146 110 HB2 LEU 16 HB2 LEU 16 -9.407 -19.497 -4.879 111 HB3 LEU 16 HB3 LEU 16 -10.881 -19.498 -3.932 112 HG LEU 16 HG LEU 16 -8.281 -18.084 -3.205 113 HD11 LEU 16 HD11 LEU 16 -11.026 -16.989 -3.959 114 HD12 LEU 16 HD12 LEU 16 -9.567 -16.046 -3.599 115 HD13 LEU 16 HD13 LEU 16 -9.625 -17.071 -5.042 116 HD21 LEU 16 HD21 LEU 16 -9.401 -18.783 -1.136 117 HD22 LEU 16 HD22 LEU 16 -9.605 -17.044 -1.365 118 HD23 LEU 16 HD23 LEU 16 -10.949 -18.149 -1.724 119 H GLU 17 H GLU 17 -8.464 -21.848 -5.297 120 HA GLU 17 HA GLU 17 -10.540 -23.619 -6.069 121 HB2 GLU 17 HB2 GLU 17 -7.549 -23.686 -6.550 122 HB3 GLU 17 HB3 GLU 17 -8.642 -24.805 -7.324 123 HG2 GLU 17 HG2 GLU 17 -8.931 -21.777 -7.573 124 HG3 GLU 17 HG3 GLU 17 -7.913 -22.734 -8.639 125 H ASN 18 H ASN 18 -8.184 -24.077 -3.527 126 HA ASN 18 HA ASN 18 -8.304 -26.916 -3.253 127 HB2 ASN 18 HB2 ASN 18 -6.677 -25.176 -2.277 128 HB3 ASN 18 HB3 ASN 18 -7.896 -24.863 -1.043 129 HD21 ASN 18 HD21 ASN 18 -5.540 -27.184 0.477 130 HD22 ASN 18 HD22 ASN 18 -5.572 -25.502 -0.044 131 H TYR 19 H TYR 19 -10.674 -24.478 -2.491 132 HA TYR 19 HA TYR 19 -12.443 -26.521 -1.178 133 HB2 TYR 19 HB2 TYR 19 -12.248 -23.559 -0.529 134 HB3 TYR 19 HB3 TYR 19 -13.397 -24.700 0.167 135 HD1 TYR 19 HD1 TYR 19 -12.662 -26.463 1.735 136 HD2 TYR 19 HD2 TYR 19 -9.857 -23.620 0.099 137 HE1 TYR 19 HE1 TYR 19 -10.938 -27.228 3.353 138 HE2 TYR 19 HE2 TYR 19 -8.116 -24.434 1.688 139 HH TYR 19 HH TYR 19 -8.748 -27.036 4.054 140 H CYS 20 H CYS 20 -12.321 -23.636 -3.265 141 HA CYS 20 HA CYS 20 -14.936 -24.134 -4.482 142 HB2 CYS 20 HB2 CYS 20 -13.939 -21.871 -4.323 143 HB3 CYS 20 HB3 CYS 20 -12.561 -22.418 -5.275 144 H GLY 21 H GLY 21 -14.319 -26.500 -4.602 145 HA2 GLY 21 HA2 GLY 21 -12.304 -27.402 -6.505 146 HA3 GLY 21 HA3 GLY 21 -13.432 -28.405 -5.599 147 H1 PHE 1 H1 PHE 1 -6.173 -8.694 -3.884 148 H2 PHE 1 H2 PHE 1 -6.112 -8.357 -2.276 149 H3 PHE 1 H3 PHE 1 -7.551 -8.564 -3.017 150 HA PHE 1 HA PHE 1 -7.017 -10.475 -1.696 151 HB2 PHE 1 HB2 PHE 1 -8.455 -10.931 -3.546 152 HB3 PHE 1 HB3 PHE 1 -7.114 -10.936 -4.689 153 HD1 PHE 1 HD1 PHE 1 -5.926 -12.954 -5.165 154 HD2 PHE 1 HD2 PHE 1 -8.447 -12.735 -1.673 155 HE1 PHE 1 HE1 PHE 1 -5.441 -15.319 -4.663 156 HE2 PHE 1 HE2 PHE 1 -7.973 -15.130 -1.187 157 HZ PHE 1 HZ PHE 1 -6.460 -16.424 -2.672 158 H VAL 2 H VAL 2 -4.631 -10.481 -4.460 159 HA VAL 2 HA VAL 2 -3.460 -12.802 -3.533 160 HB VAL 2 HB VAL 2 -3.345 -11.984 -5.811 161 HG11 VAL 2 HG11 VAL 2 -1.094 -10.124 -4.936 162 HG12 VAL 2 HG12 VAL 2 -1.676 -10.403 -6.585 163 HG13 VAL 2 HG13 VAL 2 -2.722 -9.597 -5.408 164 HG21 VAL 2 HG21 VAL 2 -1.804 -13.776 -5.021 165 HG22 VAL 2 HG22 VAL 2 -1.166 -12.835 -6.379 166 HG23 VAL 2 HG23 VAL 2 -0.554 -12.537 -4.746 167 H ASN 3 H ASN 3 -1.999 -13.461 -2.175 168 HA ASN 3 HA ASN 3 -0.466 -13.543 -0.518 169 HB2 ASN 3 HB2 ASN 3 0.951 -11.564 -2.327 170 HB3 ASN 3 HB3 ASN 3 1.715 -12.536 -1.076 171 HD21 ASN 3 HD21 ASN 3 0.680 -15.410 -3.558 172 HD22 ASN 3 HD22 ASN 3 -0.383 -14.823 -2.318 173 H GLN 4 H GLN 4 -2.551 -11.743 0.252 174 HA GLN 4 HA GLN 4 -1.045 -10.126 2.248 175 HB2 GLN 4 HB2 GLN 4 -2.332 -8.180 1.917 176 HB3 GLN 4 HB3 GLN 4 -1.747 -8.690 0.345 177 HG2 GLN 4 HG2 GLN 4 -4.195 -9.961 0.426 178 HG3 GLN 4 HG3 GLN 4 -4.539 -8.586 1.455 179 HE21 GLN 4 HE21 GLN 4 -3.454 -7.493 -2.384 180 HE22 GLN 4 HE22 GLN 4 -2.524 -8.775 -1.623 181 H HIS 5 H HIS 5 -2.262 -9.472 4.101 182 HA HIS 5 HA HIS 5 -3.445 -11.929 5.079 183 HB2 HIS 5 HB2 HIS 5 -2.292 -9.602 6.633 184 HB3 HIS 5 HB3 HIS 5 -2.606 -11.228 7.238 185 HD2 HIS 5 HD2 HIS 5 -0.758 -13.049 6.884 186 HE1 HIS 5 HE1 HIS 5 1.962 -10.791 4.495 187 HE2 HIS 5 HE2 HIS 5 1.640 -12.961 5.790 188 H LEU 6 H LEU 6 -5.402 -10.172 3.800 189 HA LEU 6 HA LEU 6 -7.076 -8.970 5.798 190 HB2 LEU 6 HB2 LEU 6 -7.094 -8.524 3.334 191 HB3 LEU 6 HB3 LEU 6 -7.863 -10.076 3.069 192 HG LEU 6 HG LEU 6 -9.307 -8.030 2.962 193 HD11 LEU 6 HD11 LEU 6 -10.271 -10.023 5.038 194 HD12 LEU 6 HD12 LEU 6 -11.253 -8.931 4.054 195 HD13 LEU 6 HD13 LEU 6 -10.334 -10.219 3.268 196 HD21 LEU 6 HD21 LEU 6 -8.328 -6.816 4.899 197 HD22 LEU 6 HD22 LEU 6 -10.095 -6.914 4.930 198 HD23 LEU 6 HD23 LEU 6 -9.144 -7.960 5.994 199 H CYS 7 H CYS 7 -8.542 -9.827 7.171 200 HA CYS 7 HA CYS 7 -8.710 -12.805 7.331 201 HB2 CYS 7 HB2 CYS 7 -6.843 -11.737 8.590 202 HB3 CYS 7 HB3 CYS 7 -8.021 -10.789 9.484 203 H GLY 8 H GLY 8 -10.393 -13.687 8.660 204 HA2 GLY 8 HA2 GLY 8 -12.541 -13.812 9.574 205 HA3 GLY 8 HA3 GLY 8 -12.714 -12.068 9.463 206 H SER 9 H SER 9 -14.915 -13.286 8.860 207 HA SER 9 HA SER 9 -15.217 -14.608 6.458 208 HB2 SER 9 HB2 SER 9 -17.566 -14.408 6.670 209 HB3 SER 9 HB3 SER 9 -16.881 -14.545 8.287 210 HG SER 9 HG SER 9 -18.084 -12.343 6.983 211 H HIS 10 H HIS 10 -14.772 -11.152 6.555 212 HA HIS 10 HA HIS 10 -16.076 -10.527 4.066 213 HB2 HIS 10 HB2 HIS 10 -13.668 -9.321 5.463 214 HB3 HIS 10 HB3 HIS 10 -14.270 -8.731 3.918 215 HD2 HIS 10 HD2 HIS 10 -17.300 -9.637 5.858 216 HE1 HIS 10 HE1 HIS 10 -16.674 -5.504 6.681 217 HE2 HIS 10 HE2 HIS 10 -18.335 -7.430 6.828 218 H LEU 11 H LEU 11 -13.020 -12.278 4.660 219 HA LEU 11 HA LEU 11 -12.362 -12.237 1.814 220 HB2 LEU 11 HB2 LEU 11 -10.623 -12.444 3.557 221 HB3 LEU 11 HB3 LEU 11 -11.273 -14.006 4.029 222 HG LEU 11 HG LEU 11 -10.659 -14.987 1.879 223 HD11 LEU 11 HD11 LEU 11 -9.731 -12.190 1.075 224 HD12 LEU 11 HD12 LEU 11 -9.366 -13.691 0.193 225 HD13 LEU 11 HD13 LEU 11 -11.027 -13.140 0.307 226 HD21 LEU 11 HD21 LEU 11 -8.857 -14.784 3.598 227 HD22 LEU 11 HD22 LEU 11 -8.228 -14.765 1.949 228 HD23 LEU 11 HD23 LEU 11 -8.358 -13.251 2.868 229 H VAL 12 H VAL 12 -14.313 -14.341 3.890 230 HA VAL 12 HA VAL 12 -14.667 -16.488 1.943 231 HB VAL 12 HB VAL 12 -16.480 -15.665 4.250 232 HG11 VAL 12 HG11 VAL 12 -16.374 -18.230 2.616 233 HG12 VAL 12 HG12 VAL 12 -17.327 -17.989 4.097 234 HG13 VAL 12 HG13 VAL 12 -17.704 -17.049 2.656 235 HG21 VAL 12 HG21 VAL 12 -14.262 -16.296 5.084 236 HG22 VAL 12 HG22 VAL 12 -15.440 -17.560 5.439 237 HG23 VAL 12 HG23 VAL 12 -14.296 -17.770 4.093 238 H GLU 13 H GLU 13 -16.559 -13.602 2.870 239 HA GLU 13 HA GLU 13 -18.614 -13.847 0.904 240 HB2 GLU 13 HB2 GLU 13 -17.476 -11.445 2.373 241 HB3 GLU 13 HB3 GLU 13 -18.958 -11.401 1.410 242 HG2 GLU 13 HG2 GLU 13 -20.137 -12.801 2.903 243 HG3 GLU 13 HG3 GLU 13 -18.683 -13.433 3.654 244 H ALA 14 H ALA 14 -15.392 -12.265 0.725 245 HA ALA 14 HA ALA 14 -15.689 -11.355 -1.994 246 HB1 ALA 14 HB1 ALA 14 -13.192 -12.038 -0.388 247 HB2 ALA 14 HB2 ALA 14 -13.242 -11.124 -1.908 248 HB3 ALA 14 HB3 ALA 14 -13.998 -10.453 -0.451 249 H LEU 15 H LEU 15 -14.447 -14.470 -0.630 250 HA LEU 15 HA LEU 15 -13.664 -15.657 -3.091 251 HB2 LEU 15 HB2 LEU 15 -12.813 -16.568 -1.203 252 HB3 LEU 15 HB3 LEU 15 -14.291 -16.532 -0.310 253 HG LEU 15 HG LEU 15 -13.291 -18.743 -0.762 254 HD11 LEU 15 HD11 LEU 15 -16.176 -18.438 -1.622 255 HD12 LEU 15 HD12 LEU 15 -15.391 -19.887 -0.963 256 HD13 LEU 15 HD13 LEU 15 -15.586 -18.441 0.043 257 HD21 LEU 15 HD21 LEU 15 -12.867 -18.336 -3.257 258 HD22 LEU 15 HD22 LEU 15 -13.498 -19.916 -2.754 259 HD23 LEU 15 HD23 LEU 15 -14.585 -18.736 -3.484 260 H TYR 16 H TYR 16 -16.911 -15.585 -1.571 261 HA TYR 16 HA TYR 16 -18.224 -17.003 -3.715 262 HB2 TYR 16 HB2 TYR 16 -19.188 -15.185 -1.506 263 HB3 TYR 16 HB3 TYR 16 -20.287 -15.744 -2.751 264 HD1 TYR 16 HD1 TYR 16 -20.593 -18.226 -3.179 265 HD2 TYR 16 HD2 TYR 16 -18.681 -16.662 0.353 266 HE1 TYR 16 HE1 TYR 16 -20.916 -20.411 -2.037 267 HE2 TYR 16 HE2 TYR 16 -18.983 -18.861 1.488 268 HH TYR 16 HH TYR 16 -20.647 -21.606 -0.090 269 H LEU 17 H LEU 17 -16.679 -14.068 -4.033 270 HA LEU 17 HA LEU 17 -18.283 -13.454 -6.495 271 HB2 LEU 17 HB2 LEU 17 -16.519 -11.600 -4.855 272 HB3 LEU 17 HB3 LEU 17 -17.362 -11.171 -6.336 273 HG LEU 17 HG LEU 17 -18.756 -12.012 -3.747 274 HD11 LEU 17 HD11 LEU 17 -18.339 -9.247 -4.947 275 HD12 LEU 17 HD12 LEU 17 -19.303 -9.635 -3.503 276 HD13 LEU 17 HD13 LEU 17 -17.552 -9.886 -3.485 277 HD21 LEU 17 HD21 LEU 17 -20.151 -12.429 -5.734 278 HD22 LEU 17 HD22 LEU 17 -20.768 -11.051 -4.820 279 HD23 LEU 17 HD23 LEU 17 -19.846 -10.776 -6.315 280 H VAL 18 H VAL 18 -14.997 -13.778 -5.156 281 HA VAL 18 HA VAL 18 -13.579 -13.388 -7.618 282 HB VAL 18 HB VAL 18 -12.795 -14.615 -4.955 283 HG11 VAL 18 HG11 VAL 18 -10.981 -14.012 -7.328 284 HG12 VAL 18 HG12 VAL 18 -10.428 -14.359 -5.676 285 HG13 VAL 18 HG13 VAL 18 -11.271 -15.606 -6.592 286 HG21 VAL 18 HG21 VAL 18 -13.259 -12.147 -5.005 287 HG22 VAL 18 HG22 VAL 18 -11.567 -12.516 -4.654 288 HG23 VAL 18 HG23 VAL 18 -12.039 -11.969 -6.278 289 H CYS 19 H CYS 19 -14.497 -16.437 -5.895 290 HA CYS 19 HA CYS 19 -13.674 -17.974 -8.306 291 HB2 CYS 19 HB2 CYS 19 -13.272 -18.643 -5.790 292 HB3 CYS 19 HB3 CYS 19 -14.921 -19.268 -5.902 293 H GLY 20 H GLY 20 -16.588 -17.428 -6.316 294 HA2 GLY 20 HA2 GLY 20 -18.720 -16.890 -6.886 295 HA3 GLY 20 HA3 GLY 20 -18.153 -16.670 -8.530 296 H GLU 21 H GLU 21 -17.628 -19.270 -9.381 297 HA GLU 21 HA GLU 21 -20.345 -19.697 -10.168 298 HB2 GLU 21 HB2 GLU 21 -18.871 -21.702 -11.467 299 HB3 GLU 21 HB3 GLU 21 -19.422 -20.162 -12.059 300 HG2 GLU 21 HG2 GLU 21 -17.177 -20.346 -12.650 301 HG3 GLU 21 HG3 GLU 21 -17.252 -19.120 -11.403 302 H ARG 22 H ARG 22 -18.097 -22.152 -8.901 303 HA ARG 22 HA ARG 22 -19.874 -24.281 -9.315 304 HB2 ARG 22 HB2 ARG 22 -17.298 -23.907 -7.777 305 HB3 ARG 22 HB3 ARG 22 -18.132 -25.457 -7.683 306 HG2 ARG 22 HG2 ARG 22 -17.936 -25.911 -9.965 307 HG3 ARG 22 HG3 ARG 22 -17.602 -24.236 -10.409 308 HD2 ARG 22 HD2 ARG 22 -15.692 -25.761 -8.618 309 HD3 ARG 22 HD3 ARG 22 -15.644 -25.963 -10.381 310 HE ARG 22 HE ARG 22 -15.665 -23.172 -9.774 311 HH11 ARG 22 HH11 ARG 22 -13.356 -25.797 -9.260 312 HH12 ARG 22 HH12 ARG 22 -12.012 -24.689 -9.480 313 HH21 ARG 22 HH21 ARG 22 -13.952 -21.983 -10.257 314 HH22 ARG 22 HH22 ARG 22 -12.324 -22.585 -9.885 315 H GLY 23 H GLY 23 -19.574 -22.491 -6.291 316 HA2 GLY 23 HA2 GLY 23 -20.727 -22.746 -4.254 317 HA3 GLY 23 HA3 GLY 23 -21.641 -24.109 -4.906 318 H PHE 24 H PHE 24 -19.615 -23.499 -2.516 319 HA PHE 24 HA PHE 24 -17.366 -25.221 -3.345 320 HB2 PHE 24 HB2 PHE 24 -17.329 -23.126 -1.199 321 HB3 PHE 24 HB3 PHE 24 -15.986 -23.747 -2.143 322 HD1 PHE 24 HD1 PHE 24 -17.441 -20.850 -1.606 323 HD2 PHE 24 HD2 PHE 24 -17.035 -23.519 -4.973 324 HE1 PHE 24 HE1 PHE 24 -17.813 -18.974 -3.154 325 HE2 PHE 24 HE2 PHE 24 -17.457 -21.626 -6.517 326 HZ PHE 24 HZ PHE 24 -17.889 -19.357 -5.604 327 H PHE 25 H PHE 25 -16.089 -26.414 -1.944 328 HA PHE 25 HA PHE 25 -17.666 -28.034 -0.090 329 HB2 PHE 25 HB2 PHE 25 -16.207 -28.877 -1.998 330 HB3 PHE 25 HB3 PHE 25 -14.811 -28.458 -1.021 331 HD1 PHE 25 HD1 PHE 25 -17.962 -30.490 -1.078 332 HD2 PHE 25 HD2 PHE 25 -14.029 -30.040 0.635 333 HE1 PHE 25 HE1 PHE 25 -18.180 -32.714 0.010 334 HE2 PHE 25 HE2 PHE 25 -14.250 -32.264 1.721 335 HZ PHE 25 HZ PHE 25 -16.325 -33.603 1.411 336 H TYR 26 H TYR 26 -17.460 -25.643 1.127 337 HA TYR 26 HA TYR 26 -15.256 -25.515 3.030 338 HB2 TYR 26 HB2 TYR 26 -17.746 -24.004 2.524 339 HB3 TYR 26 HB3 TYR 26 -17.412 -24.224 4.229 340 HD1 TYR 26 HD1 TYR 26 -14.921 -23.805 5.008 341 HD2 TYR 26 HD2 TYR 26 -16.737 -22.111 1.475 342 HE1 TYR 26 HE1 TYR 26 -13.252 -21.969 5.038 343 HE2 TYR 26 HE2 TYR 26 -15.055 -20.267 1.515 344 HH TYR 26 HH TYR 26 -12.471 -20.095 3.974 345 H THR 27 H THR 27 -14.905 -26.875 4.612 346 HA THR 27 HA THR 27 -17.080 -27.904 6.273 347 HB THR 27 HB THR 27 -17.039 -29.527 4.493 348 HG1 THR 27 HG1 THR 27 -16.970 -31.289 5.819 349 HG21 THR 27 HG21 THR 27 -14.244 -30.336 5.384 350 HG22 THR 27 HG22 THR 27 -15.264 -31.129 4.170 351 HG23 THR 27 HG23 THR 27 -14.636 -29.513 3.846 352 HA PRO 28 HA PRO 28 -13.200 -28.236 8.894 353 HB2 PRO 28 HB2 PRO 28 -10.765 -27.346 8.208 354 HB3 PRO 28 HB3 PRO 28 -11.387 -28.909 7.603 355 HG2 PRO 28 HG2 PRO 28 -11.374 -26.242 6.161 356 HG3 PRO 28 HG3 PRO 28 -10.850 -27.845 5.558 357 HD2 PRO 28 HD2 PRO 28 -13.348 -26.732 5.129 358 HD3 PRO 28 HD3 PRO 28 -13.026 -28.490 5.132 359 H LYS 29 H LYS 29 -14.986 -26.650 9.184 360 HA LYS 29 HA LYS 29 -15.967 -24.774 9.951 361 HB2 LYS 29 HB2 LYS 29 -13.218 -23.565 10.284 362 HB3 LYS 29 HB3 LYS 29 -14.711 -22.927 10.938 363 HG2 LYS 29 HG2 LYS 29 -14.636 -24.242 12.756 364 HG3 LYS 29 HG3 LYS 29 -14.362 -25.702 11.817 365 HD2 LYS 29 HD2 LYS 29 -12.503 -25.329 13.360 366 HD3 LYS 29 HD3 LYS 29 -11.956 -25.215 11.680 367 HE2 LYS 29 HE2 LYS 29 -12.167 -22.698 11.857 368 HE3 LYS 29 HE3 LYS 29 -12.544 -22.883 13.571 369 HZ1 LYS 29 HZ1 LYS 29 -10.031 -23.862 12.319 370 HZ2 LYS 29 HZ2 LYS 29 -10.166 -22.405 13.010 371 HZ3 LYS 29 HZ3 LYS 29 -10.345 -23.768 13.929 372 H THR 30 H THR 30 -17.151 -23.447 8.784 373 HA THR 30 HA THR 30 -16.145 -21.949 6.463 374 HB THR 30 HB THR 30 -18.706 -21.529 8.045 375 HG1 THR 30 HG1 THR 30 -19.628 -22.741 6.395 376 HG21 THR 30 HG21 THR 30 -17.849 -20.633 5.247 377 HG22 THR 30 HG22 THR 30 -19.476 -20.441 5.936 378 HG23 THR 30 HG23 THR 30 -18.115 -19.570 6.650 379 H ARG 31 H ARG 31 -15.140 -20.009 6.553 380 HA ARG 31 HA ARG 31 -14.031 -19.397 9.141 381 HB2 ARG 31 HB2 ARG 31 -13.456 -18.613 6.296 382 HB3 ARG 31 HB3 ARG 31 -12.660 -17.739 7.589 383 HG2 ARG 31 HG2 ARG 31 -12.625 -20.777 7.610 384 HG3 ARG 31 HG3 ARG 31 -11.591 -19.893 6.499 385 HD2 ARG 31 HD2 ARG 31 -10.285 -20.378 8.411 386 HD3 ARG 31 HD3 ARG 31 -10.559 -18.656 8.421 387 HE ARG 31 HE ARG 31 -11.426 -20.635 10.368 388 HH11 ARG 31 HH11 ARG 31 -12.049 -17.322 9.364 389 HH12 ARG 31 HH12 ARG 31 -12.620 -16.900 10.962 390 HH21 ARG 31 HH21 ARG 31 -11.456 -19.781 12.379 391 HH22 ARG 31 HH22 ARG 31 -12.229 -18.233 12.635 392 H ARG 32 H ARG 32 -15.703 -18.576 10.310 393 HA ARG 32 HA ARG 32 -16.792 -15.927 10.128 394 HB2 ARG 32 HB2 ARG 32 -17.826 -17.373 11.617 395 HB3 ARG 32 HB3 ARG 32 -16.321 -17.984 12.271 396 HG2 ARG 32 HG2 ARG 32 -17.690 -16.696 13.865 397 HG3 ARG 32 HG3 ARG 32 -16.023 -16.176 13.727 398 HD2 ARG 32 HD2 ARG 32 -17.722 -14.358 14.012 399 HD3 ARG 32 HD3 ARG 32 -16.599 -14.142 12.694 400 HE ARG 32 HE ARG 32 -19.457 -15.033 12.405 401 HH11 ARG 32 HH11 ARG 32 -16.670 -13.536 10.878 402 HH12 ARG 32 HH12 ARG 32 -17.656 -12.810 9.638 403 HH21 ARG 32 HH21 ARG 32 -20.594 -14.149 10.685 404 HH22 ARG 32 HH22 ARG 32 -19.750 -13.161 9.521 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -9.650 -22.711 8.711 2 H2 GLY 1 H2 GLY 1 -9.026 -23.907 7.780 3 H3 GLY 1 H3 GLY 1 -10.527 -24.079 8.420 4 HA2 GLY 1 HA2 GLY 1 -10.725 -23.586 6.099 5 HA3 GLY 1 HA3 GLY 1 -11.389 -22.278 7.095 6 H ILE 2 H ILE 2 -10.309 -22.143 4.327 7 HA ILE 2 HA ILE 2 -7.635 -21.570 4.177 8 HB ILE 2 HB ILE 2 -9.167 -22.088 2.360 9 HG12 ILE 2 HG12 ILE 2 -6.777 -21.091 2.132 10 HG13 ILE 2 HG13 ILE 2 -7.794 -21.394 0.744 11 HG21 ILE 2 HG21 ILE 2 -9.990 -19.164 2.317 12 HG22 ILE 2 HG22 ILE 2 -10.383 -20.396 1.103 13 HG23 ILE 2 HG23 ILE 2 -11.014 -20.549 2.744 14 HD11 ILE 2 HD11 ILE 2 -7.584 -18.627 1.959 15 HD12 ILE 2 HD12 ILE 2 -6.505 -19.230 0.685 16 HD13 ILE 2 HD13 ILE 2 -8.238 -19.089 0.384 17 H VAL 3 H VAL 3 -10.070 -19.126 5.035 18 HA VAL 3 HA VAL 3 -8.333 -16.877 4.736 19 HB VAL 3 HB VAL 3 -10.642 -17.131 6.668 20 HG11 VAL 3 HG11 VAL 3 -9.266 -14.686 5.539 21 HG12 VAL 3 HG12 VAL 3 -10.828 -14.672 6.380 22 HG13 VAL 3 HG13 VAL 3 -9.371 -15.182 7.238 23 HG21 VAL 3 HG21 VAL 3 -11.470 -17.655 4.452 24 HG22 VAL 3 HG22 VAL 3 -11.962 -16.014 4.857 25 HG23 VAL 3 HG23 VAL 3 -10.589 -16.283 3.759 26 H GLU 4 H GLU 4 -8.344 -19.323 7.311 27 HA GLU 4 HA GLU 4 -6.792 -17.744 9.228 28 HB2 GLU 4 HB2 GLU 4 -7.319 -20.698 8.864 29 HB3 GLU 4 HB3 GLU 4 -6.086 -20.154 9.979 30 HG2 GLU 4 HG2 GLU 4 -7.511 -19.253 11.493 31 HG3 GLU 4 HG3 GLU 4 -8.688 -18.767 10.298 32 H GLN 5 H GLN 5 -5.958 -19.920 6.505 33 HA GLN 5 HA GLN 5 -3.106 -19.820 6.860 34 HB2 GLN 5 HB2 GLN 5 -4.031 -21.537 5.483 35 HB3 GLN 5 HB3 GLN 5 -4.913 -20.393 4.493 36 HG2 GLN 5 HG2 GLN 5 -3.079 -21.240 3.218 37 HG3 GLN 5 HG3 GLN 5 -2.844 -19.531 3.507 38 HE21 GLN 5 HE21 GLN 5 0.489 -20.501 4.271 39 HE22 GLN 5 HE22 GLN 5 -0.579 -19.568 3.214 40 H CYS 6 H CYS 6 -5.371 -17.659 5.060 41 HA CYS 6 HA CYS 6 -3.235 -15.930 4.141 42 HB2 CYS 6 HB2 CYS 6 -6.149 -15.172 4.468 43 HB3 CYS 6 HB3 CYS 6 -4.946 -14.459 3.399 44 H CYS 7 H CYS 7 -5.287 -15.925 7.044 45 HA CYS 7 HA CYS 7 -4.664 -13.335 8.004 46 HB2 CYS 7 HB2 CYS 7 -6.451 -15.099 8.684 47 HB3 CYS 7 HB3 CYS 7 -5.220 -15.748 9.752 48 H THR 8 H THR 8 -2.901 -16.433 8.388 49 HA THR 8 HA THR 8 -0.811 -15.154 10.064 50 HB THR 8 HB THR 8 0.068 -17.422 10.308 51 HG1 THR 8 HG1 THR 8 -1.091 -19.150 9.467 52 HG21 THR 8 HG21 THR 8 -2.938 -17.359 10.823 53 HG22 THR 8 HG22 THR 8 -1.734 -18.382 11.632 54 HG23 THR 8 HG23 THR 8 -1.701 -16.626 11.869 55 H SER 9 H SER 9 -1.140 -16.512 6.789 56 HA SER 9 HA SER 9 1.721 -15.924 6.147 57 HB2 SER 9 HB2 SER 9 0.225 -18.569 6.010 58 HB3 SER 9 HB3 SER 9 1.797 -18.289 5.242 59 HG SER 9 HG SER 9 1.943 -19.244 7.346 60 H ILE 10 H ILE 10 2.034 -16.974 3.759 61 HA ILE 10 HA ILE 10 0.698 -15.220 1.957 62 HB ILE 10 HB ILE 10 1.870 -16.696 0.189 63 HG12 ILE 10 HG12 ILE 10 3.846 -17.912 0.921 64 HG13 ILE 10 HG13 ILE 10 3.376 -17.780 2.609 65 HG21 ILE 10 HG21 ILE 10 3.478 -15.241 2.329 66 HG22 ILE 10 HG22 ILE 10 3.989 -15.551 0.656 67 HG23 ILE 10 HG23 ILE 10 2.618 -14.483 0.971 68 HD11 ILE 10 HD11 ILE 10 1.737 -19.228 0.478 69 HD12 ILE 10 HD12 ILE 10 2.921 -20.009 1.547 70 HD13 ILE 10 HD13 ILE 10 1.482 -19.259 2.242 71 H CYS 11 H CYS 11 -0.481 -15.695 0.027 72 HA CYS 11 HA CYS 11 -2.249 -18.018 -0.037 73 HB2 CYS 11 HB2 CYS 11 -3.143 -15.403 1.111 74 HB3 CYS 11 HB3 CYS 11 -4.209 -16.123 -0.087 75 H SER 12 H SER 12 -2.987 -18.417 -1.987 76 HA SER 12 HA SER 12 -3.013 -16.376 -4.157 77 HB2 SER 12 HB2 SER 12 -1.796 -19.162 -4.351 78 HB3 SER 12 HB3 SER 12 -1.997 -18.021 -5.693 79 HG SER 12 HG SER 12 0.127 -17.998 -4.767 80 H LEU 13 H LEU 13 -4.312 -17.183 -6.082 81 HA LEU 13 HA LEU 13 -6.888 -17.982 -5.167 82 HB2 LEU 13 HB2 LEU 13 -5.737 -17.811 -7.987 83 HB3 LEU 13 HB3 LEU 13 -7.409 -18.199 -7.617 84 HG LEU 13 HG LEU 13 -7.491 -15.966 -6.298 85 HD11 LEU 13 HD11 LEU 13 -5.078 -15.431 -8.094 86 HD12 LEU 13 HD12 LEU 13 -6.034 -14.185 -7.268 87 HD13 LEU 13 HD13 LEU 13 -5.105 -15.334 -6.317 88 HD21 LEU 13 HD21 LEU 13 -8.699 -16.393 -8.385 89 HD22 LEU 13 HD22 LEU 13 -8.069 -14.742 -8.348 90 HD23 LEU 13 HD23 LEU 13 -7.248 -15.979 -9.329 91 H TYR 14 H TYR 14 -4.241 -20.003 -6.279 92 HA TYR 14 HA TYR 14 -5.724 -22.398 -6.731 93 HB2 TYR 14 HB2 TYR 14 -3.371 -21.959 -7.403 94 HB3 TYR 14 HB3 TYR 14 -2.884 -22.050 -5.714 95 HD1 TYR 14 HD1 TYR 14 -2.055 -24.130 -4.949 96 HD2 TYR 14 HD2 TYR 14 -4.778 -24.045 -8.300 97 HE1 TYR 14 HE1 TYR 14 -1.780 -26.586 -5.238 98 HE2 TYR 14 HE2 TYR 14 -4.508 -26.508 -8.577 99 HH TYR 14 HH TYR 14 -2.354 -28.439 -6.459 100 H GLN 15 H GLN 15 -4.905 -20.789 -3.693 101 HA GLN 15 HA GLN 15 -5.585 -23.130 -2.041 102 HB2 GLN 15 HB2 GLN 15 -5.182 -20.204 -1.313 103 HB3 GLN 15 HB3 GLN 15 -5.503 -21.493 -0.163 104 HG2 GLN 15 HG2 GLN 15 -3.069 -21.389 -1.995 105 HG3 GLN 15 HG3 GLN 15 -3.096 -20.890 -0.310 106 HE21 GLN 15 HE21 GLN 15 -1.762 -24.370 -0.410 107 HE22 GLN 15 HE22 GLN 15 -1.264 -22.831 -1.097 108 H LEU 16 H LEU 16 -7.327 -20.307 -3.383 109 HA LEU 16 HA LEU 16 -9.806 -20.873 -1.954 110 HB2 LEU 16 HB2 LEU 16 -9.381 -19.491 -4.635 111 HB3 LEU 16 HB3 LEU 16 -10.879 -19.516 -3.725 112 HG LEU 16 HG LEU 16 -8.297 -18.255 -2.698 113 HD11 LEU 16 HD11 LEU 16 -10.737 -16.954 -3.984 114 HD12 LEU 16 HD12 LEU 16 -9.361 -16.101 -3.252 115 HD13 LEU 16 HD13 LEU 16 -9.119 -17.083 -4.706 116 HD21 LEU 16 HD21 LEU 16 -10.008 -18.911 -0.941 117 HD22 LEU 16 HD22 LEU 16 -9.702 -17.169 -1.046 118 HD23 LEU 16 HD23 LEU 16 -11.170 -17.862 -1.758 119 H GLU 17 H GLU 17 -8.505 -21.854 -5.145 120 HA GLU 17 HA GLU 17 -10.573 -23.623 -5.958 121 HB2 GLU 17 HB2 GLU 17 -7.585 -23.619 -6.441 122 HB3 GLU 17 HB3 GLU 17 -8.642 -24.751 -7.237 123 HG2 GLU 17 HG2 GLU 17 -9.044 -21.733 -7.429 124 HG3 GLU 17 HG3 GLU 17 -7.959 -22.615 -8.494 125 H ASN 18 H ASN 18 -8.270 -24.121 -3.359 126 HA ASN 18 HA ASN 18 -8.381 -27.004 -3.314 127 HB2 ASN 18 HB2 ASN 18 -6.649 -25.404 -2.250 128 HB3 ASN 18 HB3 ASN 18 -7.839 -25.151 -0.970 129 HD21 ASN 18 HD21 ASN 18 -5.957 -27.718 0.600 130 HD22 ASN 18 HD22 ASN 18 -6.185 -25.980 0.481 131 H TYR 19 H TYR 19 -10.687 -24.607 -2.418 132 HA TYR 19 HA TYR 19 -12.408 -26.651 -1.049 133 HB2 TYR 19 HB2 TYR 19 -12.195 -23.690 -0.401 134 HB3 TYR 19 HB3 TYR 19 -13.268 -24.849 0.368 135 HD1 TYR 19 HD1 TYR 19 -12.290 -26.756 1.742 136 HD2 TYR 19 HD2 TYR 19 -9.866 -23.520 0.235 137 HE1 TYR 19 HE1 TYR 19 -10.481 -27.367 3.334 138 HE2 TYR 19 HE2 TYR 19 -8.045 -24.158 1.816 139 HH TYR 19 HH TYR 19 -8.356 -26.919 4.072 140 H CYS 20 H CYS 20 -12.340 -23.763 -3.121 141 HA CYS 20 HA CYS 20 -14.979 -24.247 -4.305 142 HB2 CYS 20 HB2 CYS 20 -13.995 -21.986 -4.176 143 HB3 CYS 20 HB3 CYS 20 -12.591 -22.542 -5.083 144 H GLY 21 H GLY 21 -14.385 -26.618 -4.432 145 HA2 GLY 21 HA2 GLY 21 -12.366 -27.549 -6.305 146 HA3 GLY 21 HA3 GLY 21 -13.559 -28.533 -5.462 147 H1 PHE 1 H1 PHE 1 -6.511 -9.188 -3.473 148 H2 PHE 1 H2 PHE 1 -6.288 -8.635 -1.942 149 H3 PHE 1 H3 PHE 1 -7.791 -8.975 -2.481 150 HA PHE 1 HA PHE 1 -7.032 -10.679 -0.987 151 HB2 PHE 1 HB2 PHE 1 -8.656 -11.471 -2.483 152 HB3 PHE 1 HB3 PHE 1 -7.556 -11.444 -3.855 153 HD1 PHE 1 HD1 PHE 1 -6.904 -13.542 -4.641 154 HD2 PHE 1 HD2 PHE 1 -7.564 -13.034 -0.403 155 HE1 PHE 1 HE1 PHE 1 -6.244 -15.889 -4.241 156 HE2 PHE 1 HE2 PHE 1 -6.912 -15.396 -0.026 157 HZ PHE 1 HZ PHE 1 -6.239 -16.829 -1.941 158 H VAL 2 H VAL 2 -5.033 -11.118 -4.008 159 HA VAL 2 HA VAL 2 -3.599 -13.176 -2.903 160 HB VAL 2 HB VAL 2 -3.741 -12.694 -5.268 161 HG11 VAL 2 HG11 VAL 2 -1.581 -10.577 -4.888 162 HG12 VAL 2 HG12 VAL 2 -2.281 -11.134 -6.417 163 HG13 VAL 2 HG13 VAL 2 -3.282 -10.238 -5.267 164 HG21 VAL 2 HG21 VAL 2 -2.004 -14.247 -4.425 165 HG22 VAL 2 HG22 VAL 2 -1.538 -13.445 -5.930 166 HG23 VAL 2 HG23 VAL 2 -0.837 -12.907 -4.393 167 H ASN 3 H ASN 3 -1.951 -13.555 -1.646 168 HA ASN 3 HA ASN 3 -0.528 -13.228 0.087 169 HB2 ASN 3 HB2 ASN 3 0.817 -11.752 -2.196 170 HB3 ASN 3 HB3 ASN 3 1.653 -12.262 -0.729 171 HD21 ASN 3 HD21 ASN 3 1.595 -14.945 -3.536 172 HD22 ASN 3 HD22 ASN 3 1.678 -13.200 -3.740 173 H GLN 4 H GLN 4 -2.591 -11.552 0.668 174 HA GLN 4 HA GLN 4 -1.097 -9.740 2.455 175 HB2 GLN 4 HB2 GLN 4 -2.495 -7.855 2.150 176 HB3 GLN 4 HB3 GLN 4 -1.901 -8.336 0.575 177 HG2 GLN 4 HG2 GLN 4 -4.351 -9.717 0.820 178 HG3 GLN 4 HG3 GLN 4 -4.667 -8.207 1.648 179 HE21 GLN 4 HE21 GLN 4 -3.637 -7.705 -2.326 180 HE22 GLN 4 HE22 GLN 4 -2.702 -8.871 -1.408 181 H HIS 5 H HIS 5 -2.059 -9.363 4.454 182 HA HIS 5 HA HIS 5 -3.412 -11.740 5.342 183 HB2 HIS 5 HB2 HIS 5 -2.288 -9.452 6.972 184 HB3 HIS 5 HB3 HIS 5 -2.716 -11.056 7.567 185 HD2 HIS 5 HD2 HIS 5 -0.967 -12.994 7.290 186 HE1 HIS 5 HE1 HIS 5 2.031 -10.876 5.118 187 HE2 HIS 5 HE2 HIS 5 1.494 -13.042 6.351 188 H LEU 6 H LEU 6 -5.284 -10.131 3.945 189 HA LEU 6 HA LEU 6 -7.105 -8.857 5.802 190 HB2 LEU 6 HB2 LEU 6 -6.889 -8.505 3.275 191 HB3 LEU 6 HB3 LEU 6 -7.743 -10.018 3.059 192 HG LEU 6 HG LEU 6 -9.124 -8.021 2.742 193 HD11 LEU 6 HD11 LEU 6 -10.173 -9.441 5.208 194 HD12 LEU 6 HD12 LEU 6 -11.082 -8.629 3.933 195 HD13 LEU 6 HD13 LEU 6 -10.203 -10.118 3.561 196 HD21 LEU 6 HD21 LEU 6 -8.015 -6.545 4.405 197 HD22 LEU 6 HD22 LEU 6 -9.782 -6.538 4.519 198 HD23 LEU 6 HD23 LEU 6 -8.830 -7.436 5.713 199 H CYS 7 H CYS 7 -8.597 -9.773 7.107 200 HA CYS 7 HA CYS 7 -8.898 -12.738 7.106 201 HB2 CYS 7 HB2 CYS 7 -6.905 -11.969 8.316 202 HB3 CYS 7 HB3 CYS 7 -7.896 -10.954 9.350 203 H GLY 8 H GLY 8 -10.548 -13.575 8.535 204 HA2 GLY 8 HA2 GLY 8 -12.663 -13.565 9.561 205 HA3 GLY 8 HA3 GLY 8 -12.777 -11.823 9.372 206 H SER 9 H SER 9 -15.034 -12.937 8.839 207 HA SER 9 HA SER 9 -15.404 -14.389 6.498 208 HB2 SER 9 HB2 SER 9 -17.754 -14.073 6.732 209 HB3 SER 9 HB3 SER 9 -17.038 -14.231 8.334 210 HG SER 9 HG SER 9 -18.151 -11.974 7.045 211 H HIS 10 H HIS 10 -14.814 -10.967 6.469 212 HA HIS 10 HA HIS 10 -16.150 -10.325 4.011 213 HB2 HIS 10 HB2 HIS 10 -13.724 -9.212 5.432 214 HB3 HIS 10 HB3 HIS 10 -14.126 -8.687 3.798 215 HD2 HIS 10 HD2 HIS 10 -15.427 -8.400 7.402 216 HE1 HIS 10 HE1 HIS 10 -18.094 -6.120 4.972 217 HE2 HIS 10 HE2 HIS 10 -17.459 -6.719 7.365 218 H LEU 11 H LEU 11 -13.131 -12.177 4.541 219 HA LEU 11 HA LEU 11 -12.661 -12.268 1.650 220 HB2 LEU 11 HB2 LEU 11 -10.788 -12.289 3.208 221 HB3 LEU 11 HB3 LEU 11 -11.331 -13.819 3.882 222 HG LEU 11 HG LEU 11 -10.866 -14.976 1.777 223 HD11 LEU 11 HD11 LEU 11 -10.049 -12.262 0.639 224 HD12 LEU 11 HD12 LEU 11 -9.808 -13.848 -0.141 225 HD13 LEU 11 HD13 LEU 11 -11.430 -13.247 0.105 226 HD21 LEU 11 HD21 LEU 11 -8.961 -14.595 3.325 227 HD22 LEU 11 HD22 LEU 11 -8.439 -14.662 1.644 228 HD23 LEU 11 HD23 LEU 11 -8.569 -13.094 2.473 229 H VAL 12 H VAL 12 -14.552 -14.186 3.913 230 HA VAL 12 HA VAL 12 -14.972 -16.457 2.103 231 HB VAL 12 HB VAL 12 -16.643 -15.460 4.449 232 HG11 VAL 12 HG11 VAL 12 -16.886 -18.007 2.810 233 HG12 VAL 12 HG12 VAL 12 -17.675 -17.727 4.380 234 HG13 VAL 12 HG13 VAL 12 -18.103 -16.726 2.994 235 HG21 VAL 12 HG21 VAL 12 -14.448 -16.255 5.156 236 HG22 VAL 12 HG22 VAL 12 -15.682 -17.439 5.593 237 HG23 VAL 12 HG23 VAL 12 -14.639 -17.727 4.181 238 H GLU 13 H GLU 13 -16.783 -13.487 2.913 239 HA GLU 13 HA GLU 13 -18.866 -13.773 0.985 240 HB2 GLU 13 HB2 GLU 13 -17.643 -11.333 2.324 241 HB3 GLU 13 HB3 GLU 13 -19.131 -11.293 1.369 242 HG2 GLU 13 HG2 GLU 13 -20.324 -12.628 2.928 243 HG3 GLU 13 HG3 GLU 13 -18.871 -13.200 3.727 244 H ALA 14 H ALA 14 -15.622 -12.247 0.697 245 HA ALA 14 HA ALA 14 -15.959 -11.501 -2.072 246 HB1 ALA 14 HB1 ALA 14 -13.433 -11.981 -0.446 247 HB2 ALA 14 HB2 ALA 14 -13.536 -11.145 -2.007 248 HB3 ALA 14 HB3 ALA 14 -14.314 -10.440 -0.578 249 H LEU 15 H LEU 15 -14.739 -14.543 -0.540 250 HA LEU 15 HA LEU 15 -13.770 -15.767 -2.916 251 HB2 LEU 15 HB2 LEU 15 -13.061 -16.563 -0.891 252 HB3 LEU 15 HB3 LEU 15 -14.639 -16.651 -0.187 253 HG LEU 15 HG LEU 15 -13.290 -18.763 -0.639 254 HD11 LEU 15 HD11 LEU 15 -16.233 -18.618 -1.311 255 HD12 LEU 15 HD12 LEU 15 -15.327 -20.089 -0.868 256 HD13 LEU 15 HD13 LEU 15 -15.504 -18.768 0.293 257 HD21 LEU 15 HD21 LEU 15 -13.008 -18.286 -3.154 258 HD22 LEU 15 HD22 LEU 15 -13.437 -19.926 -2.631 259 HD23 LEU 15 HD23 LEU 15 -14.680 -18.876 -3.305 260 H TYR 16 H TYR 16 -17.098 -15.725 -1.594 261 HA TYR 16 HA TYR 16 -18.276 -17.182 -3.791 262 HB2 TYR 16 HB2 TYR 16 -19.429 -15.263 -1.751 263 HB3 TYR 16 HB3 TYR 16 -20.408 -16.060 -2.970 264 HD1 TYR 16 HD1 TYR 16 -20.263 -18.653 -3.157 265 HD2 TYR 16 HD2 TYR 16 -19.130 -16.397 0.339 266 HE1 TYR 16 HE1 TYR 16 -20.478 -20.702 -1.767 267 HE2 TYR 16 HE2 TYR 16 -19.340 -18.457 1.729 268 HH TYR 16 HH TYR 16 -20.335 -21.602 0.340 269 H LEU 17 H LEU 17 -16.699 -14.276 -4.086 270 HA LEU 17 HA LEU 17 -18.210 -13.641 -6.600 271 HB2 LEU 17 HB2 LEU 17 -16.502 -11.782 -4.906 272 HB3 LEU 17 HB3 LEU 17 -17.309 -11.360 -6.407 273 HG LEU 17 HG LEU 17 -18.758 -12.186 -3.845 274 HD11 LEU 17 HD11 LEU 17 -18.326 -9.430 -5.065 275 HD12 LEU 17 HD12 LEU 17 -19.316 -9.807 -3.636 276 HD13 LEU 17 HD13 LEU 17 -17.565 -10.051 -3.583 277 HD21 LEU 17 HD21 LEU 17 -20.109 -12.625 -5.860 278 HD22 LEU 17 HD22 LEU 17 -20.750 -11.241 -4.970 279 HD23 LEU 17 HD23 LEU 17 -19.796 -10.975 -6.447 280 H VAL 18 H VAL 18 -14.974 -13.910 -5.122 281 HA VAL 18 HA VAL 18 -13.456 -13.539 -7.522 282 HB VAL 18 HB VAL 18 -12.771 -14.745 -4.820 283 HG11 VAL 18 HG11 VAL 18 -10.870 -14.118 -7.120 284 HG12 VAL 18 HG12 VAL 18 -10.379 -14.456 -5.446 285 HG13 VAL 18 HG13 VAL 18 -11.166 -15.715 -6.393 286 HG21 VAL 18 HG21 VAL 18 -13.265 -12.285 -4.890 287 HG22 VAL 18 HG22 VAL 18 -11.583 -12.627 -4.477 288 HG23 VAL 18 HG23 VAL 18 -12.003 -12.088 -6.118 289 H CYS 19 H CYS 19 -14.411 -16.580 -5.804 290 HA CYS 19 HA CYS 19 -13.512 -18.131 -8.178 291 HB2 CYS 19 HB2 CYS 19 -13.187 -18.798 -5.662 292 HB3 CYS 19 HB3 CYS 19 -14.846 -19.388 -5.797 293 H GLY 20 H GLY 20 -16.488 -17.456 -6.334 294 HA2 GLY 20 HA2 GLY 20 -18.580 -16.895 -7.032 295 HA3 GLY 20 HA3 GLY 20 -17.943 -16.804 -8.662 296 H GLU 21 H GLU 21 -17.514 -19.315 -9.485 297 HA GLU 21 HA GLU 21 -20.237 -19.671 -10.242 298 HB2 GLU 21 HB2 GLU 21 -18.824 -21.667 -11.617 299 HB3 GLU 21 HB3 GLU 21 -19.322 -20.088 -12.152 300 HG2 GLU 21 HG2 GLU 21 -17.083 -20.318 -12.747 301 HG3 GLU 21 HG3 GLU 21 -17.116 -19.145 -11.447 302 H ARG 22 H ARG 22 -18.050 -22.205 -9.022 303 HA ARG 22 HA ARG 22 -19.823 -24.306 -9.509 304 HB2 ARG 22 HB2 ARG 22 -17.311 -23.957 -7.871 305 HB3 ARG 22 HB3 ARG 22 -18.171 -25.492 -7.766 306 HG2 ARG 22 HG2 ARG 22 -17.893 -26.020 -10.017 307 HG3 ARG 22 HG3 ARG 22 -17.548 -24.359 -10.507 308 HD2 ARG 22 HD2 ARG 22 -15.691 -25.828 -8.614 309 HD3 ARG 22 HD3 ARG 22 -15.584 -26.066 -10.370 310 HE ARG 22 HE ARG 22 -15.648 -23.267 -9.849 311 HH11 ARG 22 HH11 ARG 22 -13.338 -25.839 -9.115 312 HH12 ARG 22 HH12 ARG 22 -11.995 -24.725 -9.336 313 HH21 ARG 22 HH21 ARG 22 -13.935 -22.077 -10.302 314 HH22 ARG 22 HH22 ARG 22 -12.315 -22.638 -9.841 315 H GLY 23 H GLY 23 -19.639 -22.551 -6.454 316 HA2 GLY 23 HA2 GLY 23 -20.898 -22.810 -4.478 317 HA3 GLY 23 HA3 GLY 23 -21.803 -24.146 -5.198 318 H PHE 24 H PHE 24 -19.688 -23.482 -2.812 319 HA PHE 24 HA PHE 24 -17.554 -25.338 -3.571 320 HB2 PHE 24 HB2 PHE 24 -17.542 -23.356 -1.309 321 HB3 PHE 24 HB3 PHE 24 -16.168 -24.003 -2.189 322 HD1 PHE 24 HD1 PHE 24 -17.330 -21.046 -1.611 323 HD2 PHE 24 HD2 PHE 24 -17.182 -23.610 -5.079 324 HE1 PHE 24 HE1 PHE 24 -17.535 -19.080 -3.091 325 HE2 PHE 24 HE2 PHE 24 -17.469 -21.634 -6.546 326 HZ PHE 24 HZ PHE 24 -17.684 -19.371 -5.547 327 H PHE 25 H PHE 25 -16.393 -26.690 -2.120 328 HA PHE 25 HA PHE 25 -18.184 -28.385 -0.565 329 HB2 PHE 25 HB2 PHE 25 -16.430 -29.282 -2.027 330 HB3 PHE 25 HB3 PHE 25 -15.186 -28.499 -1.068 331 HD1 PHE 25 HD1 PHE 25 -18.066 -30.905 -0.702 332 HD2 PHE 25 HD2 PHE 25 -14.105 -29.787 0.597 333 HE1 PHE 25 HE1 PHE 25 -17.945 -32.954 0.698 334 HE2 PHE 25 HE2 PHE 25 -13.982 -31.848 1.978 335 HZ PHE 25 HZ PHE 25 -15.902 -33.428 2.038 336 H TYR 26 H TYR 26 -15.203 -26.652 0.250 337 HA TYR 26 HA TYR 26 -14.375 -25.852 2.237 338 HB2 TYR 26 HB2 TYR 26 -15.584 -24.198 0.793 339 HB3 TYR 26 HB3 TYR 26 -16.948 -24.306 1.887 340 HD1 TYR 26 HD1 TYR 26 -13.898 -24.479 3.856 341 HD2 TYR 26 HD2 TYR 26 -16.437 -21.746 1.659 342 HE1 TYR 26 HE1 TYR 26 -13.040 -22.611 5.191 343 HE2 TYR 26 HE2 TYR 26 -15.509 -19.855 2.995 344 HH TYR 26 HH TYR 26 -12.925 -20.340 5.394 345 H THR 27 H THR 27 -15.260 -28.173 3.245 346 HA THR 27 HA THR 27 -17.064 -27.674 5.482 347 HB THR 27 HB THR 27 -17.198 -29.718 4.203 348 HG1 THR 27 HG1 THR 27 -17.592 -30.967 5.975 349 HG21 THR 27 HG21 THR 27 -14.645 -30.582 5.631 350 HG22 THR 27 HG22 THR 27 -15.733 -31.623 4.689 351 HG23 THR 27 HG23 THR 27 -14.843 -30.340 3.875 352 HA PRO 28 HA PRO 28 -13.244 -28.145 8.246 353 HB2 PRO 28 HB2 PRO 28 -10.954 -27.027 6.649 354 HB3 PRO 28 HB3 PRO 28 -11.007 -28.419 7.768 355 HG2 PRO 28 HG2 PRO 28 -10.947 -28.808 5.098 356 HG3 PRO 28 HG3 PRO 28 -12.071 -29.783 6.103 357 HD2 PRO 28 HD2 PRO 28 -12.695 -27.179 4.637 358 HD3 PRO 28 HD3 PRO 28 -13.490 -28.762 4.458 359 H LYS 29 H LYS 29 -14.783 -26.479 8.830 360 HA LYS 29 HA LYS 29 -15.411 -24.559 9.870 361 HB2 LYS 29 HB2 LYS 29 -12.447 -23.944 9.942 362 HB3 LYS 29 HB3 LYS 29 -13.689 -23.024 10.779 363 HG2 LYS 29 HG2 LYS 29 -14.134 -24.730 12.327 364 HG3 LYS 29 HG3 LYS 29 -13.420 -25.993 11.319 365 HD2 LYS 29 HD2 LYS 29 -11.985 -25.399 13.272 366 HD3 LYS 29 HD3 LYS 29 -11.194 -25.210 11.703 367 HE2 LYS 29 HE2 LYS 29 -11.792 -22.731 11.809 368 HE3 LYS 29 HE3 LYS 29 -12.302 -22.987 13.481 369 HZ1 LYS 29 HZ1 LYS 29 -9.588 -23.660 12.475 370 HZ2 LYS 29 HZ2 LYS 29 -9.949 -22.202 13.068 371 HZ3 LYS 29 HZ3 LYS 29 -10.047 -23.534 14.049 372 H THR 30 H THR 30 -16.680 -23.480 8.474 373 HA THR 30 HA THR 30 -15.759 -21.615 6.462 374 HB THR 30 HB THR 30 -18.343 -21.480 8.059 375 HG1 THR 30 HG1 THR 30 -19.204 -22.689 6.379 376 HG21 THR 30 HG21 THR 30 -17.567 -20.434 5.292 377 HG22 THR 30 HG22 THR 30 -19.200 -20.377 5.993 378 HG23 THR 30 HG23 THR 30 -17.896 -19.442 6.732 379 H ARG 31 H ARG 31 -14.933 -19.596 6.713 380 HA ARG 31 HA ARG 31 -14.001 -18.991 9.390 381 HB2 ARG 31 HB2 ARG 31 -13.415 -17.947 6.619 382 HB3 ARG 31 HB3 ARG 31 -12.698 -17.185 8.019 383 HG2 ARG 31 HG2 ARG 31 -12.497 -20.205 7.826 384 HG3 ARG 31 HG3 ARG 31 -11.552 -19.239 6.709 385 HD2 ARG 31 HD2 ARG 31 -10.150 -19.703 8.526 386 HD3 ARG 31 HD3 ARG 31 -10.538 -17.999 8.652 387 HE ARG 31 HE ARG 31 -11.202 -20.160 10.503 388 HH11 ARG 31 HH11 ARG 31 -12.039 -16.833 9.762 389 HH12 ARG 31 HH12 ARG 31 -12.642 -16.564 11.379 390 HH21 ARG 31 HH21 ARG 31 -11.370 -19.552 12.539 391 HH22 ARG 31 HH22 ARG 31 -12.153 -18.041 12.956 392 H ARG 32 H ARG 32 -15.448 -18.170 10.699 393 HA ARG 32 HA ARG 32 -16.778 -15.581 10.326 394 HB2 ARG 32 HB2 ARG 32 -17.893 -17.003 11.783 395 HB3 ARG 32 HB3 ARG 32 -16.427 -17.584 12.546 396 HG2 ARG 32 HG2 ARG 32 -17.911 -16.239 14.003 397 HG3 ARG 32 HG3 ARG 32 -16.233 -15.740 13.967 398 HD2 ARG 32 HD2 ARG 32 -17.919 -13.895 14.076 399 HD3 ARG 32 HD3 ARG 32 -16.709 -13.735 12.829 400 HE ARG 32 HE ARG 32 -19.551 -14.608 12.374 401 HH11 ARG 32 HH11 ARG 32 -16.657 -13.160 10.993 402 HH12 ARG 32 HH12 ARG 32 -17.577 -12.433 9.696 403 HH21 ARG 32 HH21 ARG 32 -20.570 -13.736 10.572 404 HH22 ARG 32 HH22 ARG 32 -19.636 -12.786 9.444 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -9.560 -22.960 8.362 2 H2 GLY 1 H2 GLY 1 -9.016 -24.146 7.370 3 H3 GLY 1 H3 GLY 1 -10.484 -24.296 8.094 4 HA2 GLY 1 HA2 GLY 1 -10.779 -23.737 5.782 5 HA3 GLY 1 HA3 GLY 1 -11.384 -22.464 6.862 6 H ILE 2 H ILE 2 -10.557 -22.097 4.084 7 HA ILE 2 HA ILE 2 -7.917 -21.533 3.640 8 HB ILE 2 HB ILE 2 -9.759 -21.721 2.015 9 HG12 ILE 2 HG12 ILE 2 -7.479 -21.114 1.339 10 HG13 ILE 2 HG13 ILE 2 -8.762 -20.628 0.252 11 HG21 ILE 2 HG21 ILE 2 -10.300 -18.763 2.427 12 HG22 ILE 2 HG22 ILE 2 -10.972 -19.806 1.167 13 HG23 ILE 2 HG23 ILE 2 -11.375 -20.109 2.858 14 HD11 ILE 2 HD11 ILE 2 -7.080 -18.787 1.976 15 HD12 ILE 2 HD12 ILE 2 -7.138 -18.907 0.225 16 HD13 ILE 2 HD13 ILE 2 -8.528 -18.250 1.098 17 H VAL 3 H VAL 3 -10.226 -19.082 4.896 18 HA VAL 3 HA VAL 3 -8.363 -16.963 4.665 19 HB VAL 3 HB VAL 3 -10.598 -16.888 6.681 20 HG11 VAL 3 HG11 VAL 3 -9.310 -14.802 4.889 21 HG12 VAL 3 HG12 VAL 3 -10.715 -14.526 5.939 22 HG13 VAL 3 HG13 VAL 3 -9.152 -14.944 6.650 23 HG21 VAL 3 HG21 VAL 3 -11.675 -17.764 4.669 24 HG22 VAL 3 HG22 VAL 3 -12.079 -16.065 4.857 25 HG23 VAL 3 HG23 VAL 3 -10.853 -16.552 3.668 26 H GLU 4 H GLU 4 -8.335 -19.485 7.064 27 HA GLU 4 HA GLU 4 -6.791 -18.027 9.085 28 HB2 GLU 4 HB2 GLU 4 -7.297 -20.939 8.504 29 HB3 GLU 4 HB3 GLU 4 -5.978 -20.489 9.556 30 HG2 GLU 4 HG2 GLU 4 -7.258 -19.940 11.290 31 HG3 GLU 4 HG3 GLU 4 -8.388 -19.030 10.321 32 H GLN 5 H GLN 5 -5.966 -19.799 6.084 33 HA GLN 5 HA GLN 5 -3.102 -19.687 6.445 34 HB2 GLN 5 HB2 GLN 5 -4.215 -21.241 4.870 35 HB3 GLN 5 HB3 GLN 5 -4.805 -19.876 3.928 36 HG2 GLN 5 HG2 GLN 5 -2.948 -20.800 2.770 37 HG3 GLN 5 HG3 GLN 5 -2.503 -19.212 3.359 38 HE21 GLN 5 HE21 GLN 5 0.507 -20.928 4.263 39 HE22 GLN 5 HE22 GLN 5 -0.250 -19.761 3.168 40 H CYS 6 H CYS 6 -5.465 -17.480 4.908 41 HA CYS 6 HA CYS 6 -3.567 -15.431 4.144 42 HB2 CYS 6 HB2 CYS 6 -6.534 -15.699 4.443 43 HB3 CYS 6 HB3 CYS 6 -5.878 -14.081 4.536 44 H CYS 7 H CYS 7 -5.429 -15.947 7.189 45 HA CYS 7 HA CYS 7 -4.627 -13.569 8.500 46 HB2 CYS 7 HB2 CYS 7 -5.961 -16.046 9.151 47 HB3 CYS 7 HB3 CYS 7 -4.757 -15.740 10.378 48 H THR 8 H THR 8 -2.899 -16.748 8.344 49 HA THR 8 HA THR 8 -0.767 -15.730 10.110 50 HB THR 8 HB THR 8 0.084 -18.030 10.012 51 HG1 THR 8 HG1 THR 8 -1.126 -19.593 8.960 52 HG21 THR 8 HG21 THR 8 -2.908 -17.936 10.594 53 HG22 THR 8 HG22 THR 8 -1.735 -19.113 11.219 54 HG23 THR 8 HG23 THR 8 -1.622 -17.413 11.704 55 H SER 9 H SER 9 -1.035 -16.599 6.669 56 HA SER 9 HA SER 9 1.878 -16.077 6.208 57 HB2 SER 9 HB2 SER 9 0.285 -18.631 5.764 58 HB3 SER 9 HB3 SER 9 1.898 -18.355 5.083 59 HG SER 9 HG SER 9 1.929 -19.508 7.087 60 H ILE 10 H ILE 10 2.300 -16.847 3.745 61 HA ILE 10 HA ILE 10 0.758 -15.178 1.976 62 HB ILE 10 HB ILE 10 1.963 -16.467 0.139 63 HG12 ILE 10 HG12 ILE 10 4.076 -17.549 0.719 64 HG13 ILE 10 HG13 ILE 10 3.693 -17.506 2.434 65 HG21 ILE 10 HG21 ILE 10 3.577 -14.963 2.237 66 HG22 ILE 10 HG22 ILE 10 4.004 -15.167 0.525 67 HG23 ILE 10 HG23 ILE 10 2.571 -14.233 0.967 68 HD11 ILE 10 HD11 ILE 10 2.027 -19.019 0.373 69 HD12 ILE 10 HD12 ILE 10 3.379 -19.731 1.276 70 HD13 ILE 10 HD13 ILE 10 1.958 -19.164 2.153 71 H CYS 11 H CYS 11 -0.581 -15.752 0.245 72 HA CYS 11 HA CYS 11 -2.342 -18.101 0.589 73 HB2 CYS 11 HB2 CYS 11 -2.738 -16.612 2.527 74 HB3 CYS 11 HB3 CYS 11 -3.006 -15.259 1.439 75 H SER 12 H SER 12 -3.248 -18.521 -1.373 76 HA SER 12 HA SER 12 -3.184 -16.443 -3.529 77 HB2 SER 12 HB2 SER 12 -1.917 -19.209 -3.618 78 HB3 SER 12 HB3 SER 12 -1.958 -18.038 -4.947 79 HG SER 12 HG SER 12 0.027 -18.059 -3.747 80 H LEU 13 H LEU 13 -4.155 -17.234 -5.622 81 HA LEU 13 HA LEU 13 -6.835 -18.056 -5.149 82 HB2 LEU 13 HB2 LEU 13 -5.240 -17.897 -7.749 83 HB3 LEU 13 HB3 LEU 13 -6.950 -18.278 -7.646 84 HG LEU 13 HG LEU 13 -7.162 -16.016 -6.320 85 HD11 LEU 13 HD11 LEU 13 -4.645 -15.509 -7.981 86 HD12 LEU 13 HD12 LEU 13 -5.620 -14.270 -7.168 87 HD13 LEU 13 HD13 LEU 13 -4.731 -15.448 -6.209 88 HD21 LEU 13 HD21 LEU 13 -8.217 -16.482 -8.474 89 HD22 LEU 13 HD22 LEU 13 -7.569 -14.838 -8.435 90 HD23 LEU 13 HD23 LEU 13 -6.697 -16.110 -9.321 91 H TYR 14 H TYR 14 -4.017 -20.045 -5.942 92 HA TYR 14 HA TYR 14 -5.452 -22.434 -6.591 93 HB2 TYR 14 HB2 TYR 14 -3.009 -21.909 -6.993 94 HB3 TYR 14 HB3 TYR 14 -2.719 -22.225 -5.287 95 HD1 TYR 14 HD1 TYR 14 -2.404 -24.501 -4.538 96 HD2 TYR 14 HD2 TYR 14 -4.040 -23.719 -8.456 97 HE1 TYR 14 HE1 TYR 14 -2.197 -26.916 -5.108 98 HE2 TYR 14 HE2 TYR 14 -3.836 -26.140 -9.021 99 HH TYR 14 HH TYR 14 -2.511 -28.533 -6.704 100 H GLN 15 H GLN 15 -4.822 -20.909 -3.460 101 HA GLN 15 HA GLN 15 -5.733 -23.269 -1.947 102 HB2 GLN 15 HB2 GLN 15 -5.063 -20.441 -1.073 103 HB3 GLN 15 HB3 GLN 15 -5.651 -21.692 0.010 104 HG2 GLN 15 HG2 GLN 15 -3.095 -21.943 -1.631 105 HG3 GLN 15 HG3 GLN 15 -3.170 -21.396 0.037 106 HE21 GLN 15 HE21 GLN 15 -2.300 -24.941 0.326 107 HE22 GLN 15 HE22 GLN 15 -1.538 -23.443 -0.187 108 H LEU 16 H LEU 16 -7.210 -20.355 -3.353 109 HA LEU 16 HA LEU 16 -9.795 -20.778 -2.057 110 HB2 LEU 16 HB2 LEU 16 -9.232 -19.506 -4.764 111 HB3 LEU 16 HB3 LEU 16 -10.727 -19.416 -3.855 112 HG LEU 16 HG LEU 16 -8.068 -18.200 -2.987 113 HD11 LEU 16 HD11 LEU 16 -10.615 -16.916 -4.065 114 HD12 LEU 16 HD12 LEU 16 -9.177 -16.052 -3.487 115 HD13 LEU 16 HD13 LEU 16 -9.075 -17.066 -4.936 116 HD21 LEU 16 HD21 LEU 16 -9.519 -18.787 -1.049 117 HD22 LEU 16 HD22 LEU 16 -9.364 -17.040 -1.261 118 HD23 LEU 16 HD23 LEU 16 -10.847 -17.869 -1.773 119 H GLU 17 H GLU 17 -8.390 -21.841 -5.183 120 HA GLU 17 HA GLU 17 -10.474 -23.586 -6.025 121 HB2 GLU 17 HB2 GLU 17 -7.478 -23.558 -6.477 122 HB3 GLU 17 HB3 GLU 17 -8.507 -24.731 -7.263 123 HG2 GLU 17 HG2 GLU 17 -8.932 -21.718 -7.510 124 HG3 GLU 17 HG3 GLU 17 -7.887 -22.638 -8.584 125 H ASN 18 H ASN 18 -8.217 -24.082 -3.403 126 HA ASN 18 HA ASN 18 -8.337 -26.961 -3.311 127 HB2 ASN 18 HB2 ASN 18 -6.658 -25.288 -2.252 128 HB3 ASN 18 HB3 ASN 18 -7.847 -25.096 -0.961 129 HD21 ASN 18 HD21 ASN 18 -5.493 -27.548 0.298 130 HD22 ASN 18 HD22 ASN 18 -5.575 -25.815 -0.016 131 H TYR 19 H TYR 19 -10.635 -24.511 -2.439 132 HA TYR 19 HA TYR 19 -12.391 -26.539 -1.089 133 HB2 TYR 19 HB2 TYR 19 -12.135 -23.590 -0.419 134 HB3 TYR 19 HB3 TYR 19 -13.210 -24.744 0.353 135 HD1 TYR 19 HD1 TYR 19 -12.112 -26.835 1.498 136 HD2 TYR 19 HD2 TYR 19 -9.907 -23.312 0.353 137 HE1 TYR 19 HE1 TYR 19 -10.257 -27.503 3.008 138 HE2 TYR 19 HE2 TYR 19 -8.068 -23.957 1.911 139 HH TYR 19 HH TYR 19 -8.166 -26.990 3.812 140 H CYS 20 H CYS 20 -12.313 -23.640 -3.151 141 HA CYS 20 HA CYS 20 -14.965 -24.141 -4.321 142 HB2 CYS 20 HB2 CYS 20 -13.988 -21.870 -4.220 143 HB3 CYS 20 HB3 CYS 20 -12.592 -22.431 -5.138 144 H GLY 21 H GLY 21 -14.350 -26.505 -4.405 145 HA2 GLY 21 HA2 GLY 21 -12.273 -27.440 -6.214 146 HA3 GLY 21 HA3 GLY 21 -13.436 -28.427 -5.335 147 H1 PHE 1 H1 PHE 1 -6.627 -9.045 -3.364 148 H2 PHE 1 H2 PHE 1 -6.447 -8.532 -1.813 149 H3 PHE 1 H3 PHE 1 -7.933 -8.886 -2.394 150 HA PHE 1 HA PHE 1 -7.181 -10.618 -0.937 151 HB2 PHE 1 HB2 PHE 1 -8.730 -11.414 -2.509 152 HB3 PHE 1 HB3 PHE 1 -7.590 -11.307 -3.844 153 HD1 PHE 1 HD1 PHE 1 -6.837 -13.360 -4.677 154 HD2 PHE 1 HD2 PHE 1 -7.649 -13.008 -0.451 155 HE1 PHE 1 HE1 PHE 1 -6.110 -15.697 -4.322 156 HE2 PHE 1 HE2 PHE 1 -6.962 -15.371 -0.135 157 HZ PHE 1 HZ PHE 1 -6.176 -16.711 -2.053 158 H VAL 2 H VAL 2 -5.105 -10.990 -3.904 159 HA VAL 2 HA VAL 2 -3.843 -13.115 -2.753 160 HB VAL 2 HB VAL 2 -3.946 -12.677 -5.123 161 HG11 VAL 2 HG11 VAL 2 -1.602 -10.758 -4.792 162 HG12 VAL 2 HG12 VAL 2 -2.353 -11.285 -6.307 163 HG13 VAL 2 HG13 VAL 2 -3.266 -10.275 -5.179 164 HG21 VAL 2 HG21 VAL 2 -2.354 -14.357 -4.215 165 HG22 VAL 2 HG22 VAL 2 -1.838 -13.662 -5.757 166 HG23 VAL 2 HG23 VAL 2 -1.066 -13.129 -4.255 167 H ASN 3 H ASN 3 -2.359 -13.582 -1.406 168 HA ASN 3 HA ASN 3 -0.658 -13.561 0.056 169 HB2 ASN 3 HB2 ASN 3 0.583 -11.878 -2.139 170 HB3 ASN 3 HB3 ASN 3 1.491 -12.463 -0.756 171 HD21 ASN 3 HD21 ASN 3 0.311 -15.775 -2.737 172 HD22 ASN 3 HD22 ASN 3 -0.882 -14.807 -1.931 173 H GLN 4 H GLN 4 -2.635 -11.183 0.354 174 HA GLN 4 HA GLN 4 -0.970 -9.736 2.382 175 HB2 GLN 4 HB2 GLN 4 -2.410 -7.876 2.257 176 HB3 GLN 4 HB3 GLN 4 -1.864 -8.262 0.644 177 HG2 GLN 4 HG2 GLN 4 -4.355 -9.661 1.043 178 HG3 GLN 4 HG3 GLN 4 -4.570 -8.073 1.744 179 HE21 GLN 4 HE21 GLN 4 -3.633 -7.812 -2.257 180 HE22 GLN 4 HE22 GLN 4 -2.632 -8.867 -1.282 181 H HIS 5 H HIS 5 -1.857 -9.348 4.448 182 HA HIS 5 HA HIS 5 -3.166 -11.722 5.412 183 HB2 HIS 5 HB2 HIS 5 -2.022 -9.384 6.953 184 HB3 HIS 5 HB3 HIS 5 -2.494 -10.943 7.632 185 HD2 HIS 5 HD2 HIS 5 -0.865 -12.996 7.355 186 HE1 HIS 5 HE1 HIS 5 2.253 -11.043 5.195 187 HE2 HIS 5 HE2 HIS 5 1.598 -13.172 6.433 188 H LEU 6 H LEU 6 -4.979 -9.851 4.011 189 HA LEU 6 HA LEU 6 -6.874 -8.796 5.921 190 HB2 LEU 6 HB2 LEU 6 -6.605 -8.071 3.548 191 HB3 LEU 6 HB3 LEU 6 -7.240 -9.611 3.004 192 HG LEU 6 HG LEU 6 -8.803 -7.708 2.865 193 HD11 LEU 6 HD11 LEU 6 -9.951 -9.725 4.817 194 HD12 LEU 6 HD12 LEU 6 -10.787 -8.768 3.593 195 HD13 LEU 6 HD13 LEU 6 -9.673 -10.048 3.090 196 HD21 LEU 6 HD21 LEU 6 -8.105 -6.516 4.927 197 HD22 LEU 6 HD22 LEU 6 -9.858 -6.726 4.795 198 HD23 LEU 6 HD23 LEU 6 -8.933 -7.752 5.903 199 H CYS 7 H CYS 7 -8.381 -9.858 7.093 200 HA CYS 7 HA CYS 7 -8.964 -12.713 6.566 201 HB2 CYS 7 HB2 CYS 7 -6.835 -12.505 7.802 202 HB3 CYS 7 HB3 CYS 7 -7.653 -11.596 9.064 203 H GLY 8 H GLY 8 -10.573 -13.639 8.055 204 HA2 GLY 8 HA2 GLY 8 -12.528 -13.462 9.442 205 HA3 GLY 8 HA3 GLY 8 -12.628 -11.741 9.110 206 H SER 9 H SER 9 -14.939 -12.941 8.849 207 HA SER 9 HA SER 9 -15.506 -14.476 6.606 208 HB2 SER 9 HB2 SER 9 -17.813 -14.095 6.960 209 HB3 SER 9 HB3 SER 9 -17.029 -14.103 8.539 210 HG SER 9 HG SER 9 -18.198 -11.988 7.077 211 H HIS 10 H HIS 10 -14.874 -11.049 6.402 212 HA HIS 10 HA HIS 10 -16.310 -10.556 3.956 213 HB2 HIS 10 HB2 HIS 10 -14.018 -9.239 5.376 214 HB3 HIS 10 HB3 HIS 10 -14.258 -8.881 3.668 215 HD2 HIS 10 HD2 HIS 10 -16.685 -9.095 6.752 216 HE1 HIS 10 HE1 HIS 10 -17.977 -5.886 4.258 217 HE2 HIS 10 HE2 HIS 10 -18.453 -7.176 6.402 218 H LEU 11 H LEU 11 -13.299 -12.364 4.495 219 HA LEU 11 HA LEU 11 -13.060 -12.700 1.554 220 HB2 LEU 11 HB2 LEU 11 -11.041 -12.292 3.187 221 HB3 LEU 11 HB3 LEU 11 -11.226 -14.011 3.520 222 HG LEU 11 HG LEU 11 -11.217 -14.203 0.836 223 HD11 LEU 11 HD11 LEU 11 -9.618 -11.657 1.218 224 HD12 LEU 11 HD12 LEU 11 -9.936 -12.546 -0.292 225 HD13 LEU 11 HD13 LEU 11 -11.255 -11.709 0.530 226 HD21 LEU 11 HD21 LEU 11 -9.527 -15.178 2.349 227 HD22 LEU 11 HD22 LEU 11 -8.858 -14.560 0.849 228 HD23 LEU 11 HD23 LEU 11 -8.657 -13.624 2.355 229 H VAL 12 H VAL 12 -15.085 -14.005 3.678 230 HA VAL 12 HA VAL 12 -15.234 -16.601 2.177 231 HB VAL 12 HB VAL 12 -16.895 -15.628 4.535 232 HG11 VAL 12 HG11 VAL 12 -17.003 -18.243 2.982 233 HG12 VAL 12 HG12 VAL 12 -17.852 -17.907 4.508 234 HG13 VAL 12 HG13 VAL 12 -18.270 -16.995 3.061 235 HG21 VAL 12 HG21 VAL 12 -14.650 -16.315 5.236 236 HG22 VAL 12 HG22 VAL 12 -15.834 -17.536 5.716 237 HG23 VAL 12 HG23 VAL 12 -14.794 -17.815 4.300 238 H GLU 13 H GLU 13 -17.085 -13.674 3.043 239 HA GLU 13 HA GLU 13 -19.197 -13.937 1.179 240 HB2 GLU 13 HB2 GLU 13 -17.938 -11.490 2.469 241 HB3 GLU 13 HB3 GLU 13 -19.478 -11.474 1.602 242 HG2 GLU 13 HG2 GLU 13 -20.552 -12.835 3.231 243 HG3 GLU 13 HG3 GLU 13 -19.041 -13.361 3.952 244 H ALA 14 H ALA 14 -16.064 -12.143 0.789 245 HA ALA 14 HA ALA 14 -16.603 -11.478 -1.977 246 HB1 ALA 14 HB1 ALA 14 -13.964 -11.552 -0.457 247 HB2 ALA 14 HB2 ALA 14 -14.277 -10.738 -2.002 248 HB3 ALA 14 HB3 ALA 14 -15.082 -10.167 -0.529 249 H LEU 15 H LEU 15 -15.224 -14.376 -0.449 250 HA LEU 15 HA LEU 15 -13.927 -15.412 -2.815 251 HB2 LEU 15 HB2 LEU 15 -13.147 -16.139 -0.807 252 HB3 LEU 15 HB3 LEU 15 -14.713 -16.433 -0.114 253 HG LEU 15 HG LEU 15 -13.093 -18.348 -0.581 254 HD11 LEU 15 HD11 LEU 15 -16.032 -18.542 -1.254 255 HD12 LEU 15 HD12 LEU 15 -14.959 -19.921 -0.888 256 HD13 LEU 15 HD13 LEU 15 -15.272 -18.680 0.334 257 HD21 LEU 15 HD21 LEU 15 -12.838 -17.797 -3.077 258 HD22 LEU 15 HD22 LEU 15 -13.075 -19.489 -2.594 259 HD23 LEU 15 HD23 LEU 15 -14.425 -18.584 -3.271 260 H TYR 16 H TYR 16 -17.273 -15.736 -1.566 261 HA TYR 16 HA TYR 16 -18.252 -17.293 -3.785 262 HB2 TYR 16 HB2 TYR 16 -19.636 -15.384 -1.884 263 HB3 TYR 16 HB3 TYR 16 -20.479 -16.328 -3.099 264 HD1 TYR 16 HD1 TYR 16 -19.927 -18.937 -3.127 265 HD2 TYR 16 HD2 TYR 16 -19.539 -16.336 0.293 266 HE1 TYR 16 HE1 TYR 16 -20.093 -20.903 -1.616 267 HE2 TYR 16 HE2 TYR 16 -19.730 -18.313 1.805 268 HH TYR 16 HH TYR 16 -20.159 -21.639 0.557 269 H LEU 17 H LEU 17 -17.111 -14.057 -3.874 270 HA LEU 17 HA LEU 17 -18.525 -13.563 -6.467 271 HB2 LEU 17 HB2 LEU 17 -16.771 -11.680 -4.853 272 HB3 LEU 17 HB3 LEU 17 -17.684 -11.290 -6.301 273 HG LEU 17 HG LEU 17 -18.901 -12.082 -3.613 274 HD11 LEU 17 HD11 LEU 17 -18.745 -9.384 -5.013 275 HD12 LEU 17 HD12 LEU 17 -19.571 -9.730 -3.476 276 HD13 LEU 17 HD13 LEU 17 -17.810 -9.872 -3.582 277 HD21 LEU 17 HD21 LEU 17 -20.397 -12.713 -5.462 278 HD22 LEU 17 HD22 LEU 17 -21.033 -11.301 -4.613 279 HD23 LEU 17 HD23 LEU 17 -20.221 -11.094 -6.181 280 H VAL 18 H VAL 18 -15.271 -13.864 -5.037 281 HA VAL 18 HA VAL 18 -13.800 -13.416 -7.451 282 HB VAL 18 HB VAL 18 -13.060 -14.666 -4.789 283 HG11 VAL 18 HG11 VAL 18 -11.194 -14.037 -7.115 284 HG12 VAL 18 HG12 VAL 18 -10.677 -14.381 -5.450 285 HG13 VAL 18 HG13 VAL 18 -11.483 -15.636 -6.387 286 HG21 VAL 18 HG21 VAL 18 -13.548 -12.198 -4.853 287 HG22 VAL 18 HG22 VAL 18 -11.866 -12.555 -4.447 288 HG23 VAL 18 HG23 VAL 18 -12.290 -12.009 -6.085 289 H CYS 19 H CYS 19 -14.611 -16.551 -5.805 290 HA CYS 19 HA CYS 19 -13.608 -17.986 -8.194 291 HB2 CYS 19 HB2 CYS 19 -13.293 -18.694 -5.723 292 HB3 CYS 19 HB3 CYS 19 -14.939 -19.316 -5.845 293 H GLY 20 H GLY 20 -16.699 -17.201 -6.665 294 HA2 GLY 20 HA2 GLY 20 -18.707 -16.724 -7.633 295 HA3 GLY 20 HA3 GLY 20 -17.950 -16.966 -9.191 296 H GLU 21 H GLU 21 -17.560 -19.539 -9.564 297 HA GLU 21 HA GLU 21 -20.304 -19.932 -10.322 298 HB2 GLU 21 HB2 GLU 21 -18.851 -21.954 -11.609 299 HB3 GLU 21 HB3 GLU 21 -19.392 -20.413 -12.214 300 HG2 GLU 21 HG2 GLU 21 -17.151 -20.608 -12.814 301 HG3 GLU 21 HG3 GLU 21 -17.202 -19.385 -11.561 302 H ARG 22 H ARG 22 -18.052 -22.344 -8.988 303 HA ARG 22 HA ARG 22 -19.755 -24.500 -9.420 304 HB2 ARG 22 HB2 ARG 22 -17.256 -24.032 -7.802 305 HB3 ARG 22 HB3 ARG 22 -18.069 -25.587 -7.633 306 HG2 ARG 22 HG2 ARG 22 -17.803 -26.181 -9.873 307 HG3 ARG 22 HG3 ARG 22 -17.498 -24.530 -10.418 308 HD2 ARG 22 HD2 ARG 22 -15.597 -25.895 -8.494 309 HD3 ARG 22 HD3 ARG 22 -15.497 -26.192 -10.242 310 HE ARG 22 HE ARG 22 -15.613 -23.378 -9.803 311 HH11 ARG 22 HH11 ARG 22 -13.246 -25.893 -9.061 312 HH12 ARG 22 HH12 ARG 22 -11.926 -24.760 -9.316 313 HH21 ARG 22 HH21 ARG 22 -13.928 -22.167 -10.303 314 HH22 ARG 22 HH22 ARG 22 -12.294 -22.683 -9.835 315 H GLY 23 H GLY 23 -19.759 -22.632 -6.439 316 HA2 GLY 23 HA2 GLY 23 -21.099 -22.869 -4.511 317 HA3 GLY 23 HA3 GLY 23 -21.901 -24.273 -5.221 318 H PHE 24 H PHE 24 -19.557 -23.219 -3.024 319 HA PHE 24 HA PHE 24 -17.560 -25.192 -3.626 320 HB2 PHE 24 HB2 PHE 24 -17.519 -23.183 -1.382 321 HB3 PHE 24 HB3 PHE 24 -16.147 -23.869 -2.231 322 HD1 PHE 24 HD1 PHE 24 -16.944 -20.907 -1.700 323 HD2 PHE 24 HD2 PHE 24 -17.379 -23.465 -5.148 324 HE1 PHE 24 HE1 PHE 24 -17.068 -18.929 -3.173 325 HE2 PHE 24 HE2 PHE 24 -17.606 -21.470 -6.595 326 HZ PHE 24 HZ PHE 24 -17.492 -19.197 -5.600 327 H PHE 25 H PHE 25 -16.337 -26.467 -2.118 328 HA PHE 25 HA PHE 25 -18.111 -28.179 -0.546 329 HB2 PHE 25 HB2 PHE 25 -16.408 -29.094 -2.043 330 HB3 PHE 25 HB3 PHE 25 -15.132 -28.296 -1.141 331 HD1 PHE 25 HD1 PHE 25 -18.047 -30.614 -0.493 332 HD2 PHE 25 HD2 PHE 25 -13.922 -29.659 0.344 333 HE1 PHE 25 HE1 PHE 25 -17.860 -32.649 0.918 334 HE2 PHE 25 HE2 PHE 25 -13.735 -31.710 1.731 335 HZ PHE 25 HZ PHE 25 -15.703 -33.201 2.029 336 H TYR 26 H TYR 26 -15.071 -26.495 0.230 337 HA TYR 26 HA TYR 26 -14.201 -25.703 2.201 338 HB2 TYR 26 HB2 TYR 26 -15.643 -24.061 0.898 339 HB3 TYR 26 HB3 TYR 26 -16.840 -24.230 2.164 340 HD1 TYR 26 HD1 TYR 26 -13.946 -24.392 4.107 341 HD2 TYR 26 HD2 TYR 26 -16.022 -21.620 1.514 342 HE1 TYR 26 HE1 TYR 26 -12.965 -22.512 5.324 343 HE2 TYR 26 HE2 TYR 26 -14.967 -19.721 2.740 344 HH TYR 26 HH TYR 26 -12.814 -20.281 5.564 345 H THR 27 H THR 27 -14.960 -28.141 3.036 346 HA THR 27 HA THR 27 -16.822 -28.048 5.217 347 HB THR 27 HB THR 27 -16.465 -30.006 3.795 348 HG1 THR 27 HG1 THR 27 -16.805 -31.423 5.458 349 HG21 THR 27 HG21 THR 27 -13.976 -30.519 5.488 350 HG22 THR 27 HG22 THR 27 -14.738 -31.651 4.357 351 HG23 THR 27 HG23 THR 27 -14.001 -30.173 3.739 352 HA PRO 28 HA PRO 28 -13.271 -28.305 8.298 353 HB2 PRO 28 HB2 PRO 28 -10.739 -27.529 7.846 354 HB3 PRO 28 HB3 PRO 28 -11.385 -29.056 7.181 355 HG2 PRO 28 HG2 PRO 28 -11.115 -26.391 5.755 356 HG3 PRO 28 HG3 PRO 28 -10.606 -28.017 5.200 357 HD2 PRO 28 HD2 PRO 28 -13.009 -26.822 4.526 358 HD3 PRO 28 HD3 PRO 28 -12.771 -28.589 4.608 359 H LYS 29 H LYS 29 -14.891 -26.678 8.748 360 HA LYS 29 HA LYS 29 -15.665 -24.839 9.819 361 HB2 LYS 29 HB2 LYS 29 -12.802 -23.889 10.002 362 HB3 LYS 29 HB3 LYS 29 -14.163 -23.202 10.864 363 HG2 LYS 29 HG2 LYS 29 -14.250 -24.881 12.431 364 HG3 LYS 29 HG3 LYS 29 -13.647 -26.127 11.337 365 HD2 LYS 29 HD2 LYS 29 -11.997 -25.556 13.112 366 HD3 LYS 29 HD3 LYS 29 -11.397 -25.317 11.466 367 HE2 LYS 29 HE2 LYS 29 -12.046 -22.845 11.718 368 HE3 LYS 29 HE3 LYS 29 -12.299 -23.163 13.436 369 HZ1 LYS 29 HZ1 LYS 29 -9.751 -23.753 12.026 370 HZ2 LYS 29 HZ2 LYS 29 -10.049 -22.312 12.677 371 HZ3 LYS 29 HZ3 LYS 29 -9.975 -23.652 13.654 372 H THR 30 H THR 30 -16.722 -23.108 9.132 373 HA THR 30 HA THR 30 -15.748 -21.547 6.790 374 HB THR 30 HB THR 30 -18.374 -21.273 8.291 375 HG1 THR 30 HG1 THR 30 -19.214 -22.444 6.580 376 HG21 THR 30 HG21 THR 30 -17.420 -20.241 5.576 377 HG22 THR 30 HG22 THR 30 -19.087 -20.133 6.181 378 HG23 THR 30 HG23 THR 30 -17.799 -19.248 7.004 379 H ARG 31 H ARG 31 -14.897 -19.519 6.996 380 HA ARG 31 HA ARG 31 -13.944 -18.823 9.651 381 HB2 ARG 31 HB2 ARG 31 -13.434 -17.832 6.845 382 HB3 ARG 31 HB3 ARG 31 -12.768 -16.962 8.208 383 HG2 ARG 31 HG2 ARG 31 -12.346 -19.958 8.170 384 HG3 ARG 31 HG3 ARG 31 -11.498 -19.006 6.969 385 HD2 ARG 31 HD2 ARG 31 -10.044 -19.302 8.792 386 HD3 ARG 31 HD3 ARG 31 -10.475 -17.604 8.767 387 HE ARG 31 HE ARG 31 -11.064 -19.611 10.832 388 HH11 ARG 31 HH11 ARG 31 -11.562 -16.269 9.877 389 HH12 ARG 31 HH12 ARG 31 -12.455 -15.906 11.346 390 HH21 ARG 31 HH21 ARG 31 -12.060 -18.995 12.727 391 HH22 ARG 31 HH22 ARG 31 -12.555 -17.331 12.936 392 H ARG 32 H ARG 32 -14.879 -17.659 11.057 393 HA ARG 32 HA ARG 32 -16.599 -15.308 10.466 394 HB2 ARG 32 HB2 ARG 32 -17.608 -16.585 12.093 395 HB3 ARG 32 HB3 ARG 32 -16.102 -17.093 12.824 396 HG2 ARG 32 HG2 ARG 32 -17.533 -15.676 14.257 397 HG3 ARG 32 HG3 ARG 32 -15.869 -15.151 14.104 398 HD2 ARG 32 HD2 ARG 32 -17.572 -13.329 14.178 399 HD3 ARG 32 HD3 ARG 32 -16.447 -13.241 12.847 400 HE ARG 32 HE ARG 32 -19.289 -14.206 12.632 401 HH11 ARG 32 HH11 ARG 32 -16.538 -12.757 10.997 402 HH12 ARG 32 HH12 ARG 32 -17.546 -12.141 9.719 403 HH21 ARG 32 HH21 ARG 32 -20.443 -13.473 10.849 404 HH22 ARG 32 HH22 ARG 32 -19.613 -12.553 9.619 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -9.555 -22.807 8.601 2 H2 GLY 1 H2 GLY 1 -8.997 -24.029 7.663 3 H3 GLY 1 H3 GLY 1 -10.499 -24.126 8.322 4 HA2 GLY 1 HA2 GLY 1 -10.668 -23.615 5.980 5 HA3 GLY 1 HA3 GLY 1 -11.303 -22.310 7.000 6 H ILE 2 H ILE 2 -10.179 -22.157 4.230 7 HA ILE 2 HA ILE 2 -7.493 -21.591 4.120 8 HB ILE 2 HB ILE 2 -9.048 -22.048 2.286 9 HG12 ILE 2 HG12 ILE 2 -6.658 -21.222 2.001 10 HG13 ILE 2 HG13 ILE 2 -7.745 -21.280 0.629 11 HG21 ILE 2 HG21 ILE 2 -9.775 -19.098 2.306 12 HG22 ILE 2 HG22 ILE 2 -10.197 -20.284 1.058 13 HG23 ILE 2 HG23 ILE 2 -10.844 -20.463 2.688 14 HD11 ILE 2 HD11 ILE 2 -7.059 -18.720 2.091 15 HD12 ILE 2 HD12 ILE 2 -6.308 -19.286 0.593 16 HD13 ILE 2 HD13 ILE 2 -8.025 -18.867 0.622 17 H VAL 3 H VAL 3 -9.959 -19.180 4.985 18 HA VAL 3 HA VAL 3 -8.213 -16.919 4.844 19 HB VAL 3 HB VAL 3 -10.760 -17.364 6.409 20 HG11 VAL 3 HG11 VAL 3 -9.261 -14.781 5.909 21 HG12 VAL 3 HG12 VAL 3 -10.945 -14.896 6.479 22 HG13 VAL 3 HG13 VAL 3 -9.630 -15.517 7.491 23 HG21 VAL 3 HG21 VAL 3 -11.020 -17.472 3.951 24 HG22 VAL 3 HG22 VAL 3 -11.764 -16.014 4.604 25 HG23 VAL 3 HG23 VAL 3 -10.176 -15.917 3.812 26 H GLU 4 H GLU 4 -8.283 -19.443 7.304 27 HA GLU 4 HA GLU 4 -6.828 -17.908 9.340 28 HB2 GLU 4 HB2 GLU 4 -7.298 -20.851 8.855 29 HB3 GLU 4 HB3 GLU 4 -6.100 -20.327 10.017 30 HG2 GLU 4 HG2 GLU 4 -7.567 -19.575 11.545 31 HG3 GLU 4 HG3 GLU 4 -8.673 -18.931 10.358 32 H GLN 5 H GLN 5 -5.894 -19.944 6.546 33 HA GLN 5 HA GLN 5 -3.045 -19.784 6.976 34 HB2 GLN 5 HB2 GLN 5 -3.881 -21.505 5.553 35 HB3 GLN 5 HB3 GLN 5 -4.791 -20.382 4.573 36 HG2 GLN 5 HG2 GLN 5 -2.952 -21.104 3.280 37 HG3 GLN 5 HG3 GLN 5 -2.724 -19.410 3.651 38 HE21 GLN 5 HE21 GLN 5 0.613 -20.476 4.310 39 HE22 GLN 5 HE22 GLN 5 -0.460 -19.526 3.272 40 H CYS 6 H CYS 6 -5.368 -17.607 5.285 41 HA CYS 6 HA CYS 6 -3.270 -15.800 4.418 42 HB2 CYS 6 HB2 CYS 6 -6.188 -15.100 4.797 43 HB3 CYS 6 HB3 CYS 6 -4.999 -14.314 3.767 44 H CYS 7 H CYS 7 -5.300 -15.950 7.351 45 HA CYS 7 HA CYS 7 -4.593 -13.463 8.511 46 HB2 CYS 7 HB2 CYS 7 -5.956 -15.877 9.264 47 HB3 CYS 7 HB3 CYS 7 -4.756 -15.570 10.494 48 H THR 8 H THR 8 -2.827 -16.612 8.588 49 HA THR 8 HA THR 8 -0.668 -15.464 10.245 50 HB THR 8 HB THR 8 0.246 -17.747 10.200 51 HG1 THR 8 HG1 THR 8 -0.955 -19.381 9.257 52 HG21 THR 8 HG21 THR 8 -2.725 -17.720 10.892 53 HG22 THR 8 HG22 THR 8 -1.491 -18.830 11.522 54 HG23 THR 8 HG23 THR 8 -1.420 -17.109 11.933 55 H SER 9 H SER 9 -1.056 -16.549 6.877 56 HA SER 9 HA SER 9 1.779 -15.868 6.211 57 HB2 SER 9 HB2 SER 9 0.334 -18.535 6.010 58 HB3 SER 9 HB3 SER 9 1.879 -18.200 5.210 59 HG SER 9 HG SER 9 2.109 -19.226 7.268 60 H ILE 10 H ILE 10 2.066 -16.822 3.783 61 HA ILE 10 HA ILE 10 0.616 -15.100 2.036 62 HB ILE 10 HB ILE 10 1.760 -16.587 0.229 63 HG12 ILE 10 HG12 ILE 10 3.821 -17.680 0.897 64 HG13 ILE 10 HG13 ILE 10 3.433 -17.508 2.603 65 HG21 ILE 10 HG21 ILE 10 3.376 -14.970 2.239 66 HG22 ILE 10 HG22 ILE 10 3.835 -15.320 0.559 67 HG23 ILE 10 HG23 ILE 10 2.422 -14.313 0.890 68 HD11 ILE 10 HD11 ILE 10 1.763 -19.106 0.606 69 HD12 ILE 10 HD12 ILE 10 3.022 -19.793 1.654 70 HD13 ILE 10 HD13 ILE 10 1.581 -19.075 2.379 71 H CYS 11 H CYS 11 -0.593 -15.637 0.131 72 HA CYS 11 HA CYS 11 -2.352 -17.978 0.208 73 HB2 CYS 11 HB2 CYS 11 -3.210 -15.287 1.203 74 HB3 CYS 11 HB3 CYS 11 -4.299 -16.091 0.080 75 H SER 12 H SER 12 -2.620 -18.592 -1.775 76 HA SER 12 HA SER 12 -2.695 -16.648 -4.052 77 HB2 SER 12 HB2 SER 12 -1.569 -19.473 -3.989 78 HB3 SER 12 HB3 SER 12 -1.687 -18.439 -5.425 79 HG SER 12 HG SER 12 0.398 -18.397 -4.379 80 H LEU 13 H LEU 13 -3.972 -17.378 -5.929 81 HA LEU 13 HA LEU 13 -6.602 -18.134 -5.133 82 HB2 LEU 13 HB2 LEU 13 -5.324 -17.919 -7.895 83 HB3 LEU 13 HB3 LEU 13 -7.023 -18.261 -7.605 84 HG LEU 13 HG LEU 13 -7.111 -16.066 -6.247 85 HD11 LEU 13 HD11 LEU 13 -4.557 -15.559 -7.845 86 HD12 LEU 13 HD12 LEU 13 -5.540 -14.301 -7.070 87 HD13 LEU 13 HD13 LEU 13 -4.722 -15.494 -6.074 88 HD21 LEU 13 HD21 LEU 13 -8.177 -16.394 -8.432 89 HD22 LEU 13 HD22 LEU 13 -7.509 -14.763 -8.292 90 HD23 LEU 13 HD23 LEU 13 -6.651 -15.991 -9.253 91 H TYR 14 H TYR 14 -3.945 -20.167 -6.164 92 HA TYR 14 HA TYR 14 -5.375 -22.553 -6.770 93 HB2 TYR 14 HB2 TYR 14 -2.969 -22.105 -7.199 94 HB3 TYR 14 HB3 TYR 14 -2.650 -22.185 -5.471 95 HD1 TYR 14 HD1 TYR 14 -2.062 -24.278 -4.502 96 HD2 TYR 14 HD2 TYR 14 -4.064 -24.181 -8.326 97 HE1 TYR 14 HE1 TYR 14 -1.712 -26.730 -4.748 98 HE2 TYR 14 HE2 TYR 14 -3.718 -26.640 -8.565 99 HH TYR 14 HH TYR 14 -2.009 -28.574 -6.076 100 H GLN 15 H GLN 15 -4.737 -21.026 -3.621 101 HA GLN 15 HA GLN 15 -5.687 -23.393 -2.139 102 HB2 GLN 15 HB2 GLN 15 -4.899 -20.605 -1.242 103 HB3 GLN 15 HB3 GLN 15 -5.534 -21.837 -0.159 104 HG2 GLN 15 HG2 GLN 15 -3.013 -22.187 -1.830 105 HG3 GLN 15 HG3 GLN 15 -3.048 -21.682 -0.146 106 HE21 GLN 15 HE21 GLN 15 -2.370 -25.307 -0.055 107 HE22 GLN 15 HE22 GLN 15 -1.536 -23.859 -0.598 108 H LEU 16 H LEU 16 -7.141 -20.452 -3.494 109 HA LEU 16 HA LEU 16 -9.701 -20.845 -2.128 110 HB2 LEU 16 HB2 LEU 16 -9.152 -19.527 -4.817 111 HB3 LEU 16 HB3 LEU 16 -10.652 -19.456 -3.911 112 HG LEU 16 HG LEU 16 -7.996 -18.269 -2.999 113 HD11 LEU 16 HD11 LEU 16 -10.530 -16.958 -4.076 114 HD12 LEU 16 HD12 LEU 16 -9.108 -16.105 -3.446 115 HD13 LEU 16 HD13 LEU 16 -8.972 -17.079 -4.919 116 HD21 LEU 16 HD21 LEU 16 -9.464 -18.907 -1.085 117 HD22 LEU 16 HD22 LEU 16 -9.299 -17.154 -1.248 118 HD23 LEU 16 HD23 LEU 16 -10.782 -17.962 -1.793 119 H GLU 17 H GLU 17 -8.343 -21.908 -5.268 120 HA GLU 17 HA GLU 17 -10.464 -23.610 -6.104 121 HB2 GLU 17 HB2 GLU 17 -7.470 -23.635 -6.572 122 HB3 GLU 17 HB3 GLU 17 -8.523 -24.791 -7.351 123 HG2 GLU 17 HG2 GLU 17 -8.887 -21.770 -7.595 124 HG3 GLU 17 HG3 GLU 17 -7.882 -22.718 -8.683 125 H ASN 18 H ASN 18 -8.274 -24.138 -3.449 126 HA ASN 18 HA ASN 18 -8.445 -27.026 -3.374 127 HB2 ASN 18 HB2 ASN 18 -6.718 -25.406 -2.314 128 HB3 ASN 18 HB3 ASN 18 -7.906 -25.171 -1.029 129 HD21 ASN 18 HD21 ASN 18 -5.638 -27.690 0.253 130 HD22 ASN 18 HD22 ASN 18 -5.649 -25.960 -0.091 131 H TYR 19 H TYR 19 -10.663 -24.497 -2.485 132 HA TYR 19 HA TYR 19 -12.477 -26.474 -1.136 133 HB2 TYR 19 HB2 TYR 19 -12.078 -23.552 -0.416 134 HB3 TYR 19 HB3 TYR 19 -13.215 -24.661 0.340 135 HD1 TYR 19 HD1 TYR 19 -12.233 -26.844 1.403 136 HD2 TYR 19 HD2 TYR 19 -9.832 -23.409 0.377 137 HE1 TYR 19 HE1 TYR 19 -10.396 -27.700 2.839 138 HE2 TYR 19 HE2 TYR 19 -8.004 -24.255 1.849 139 HH TYR 19 HH TYR 19 -8.250 -27.365 3.600 140 H CYS 20 H CYS 20 -12.334 -23.556 -3.167 141 HA CYS 20 HA CYS 20 -14.994 -24.010 -4.342 142 HB2 CYS 20 HB2 CYS 20 -13.988 -21.750 -4.244 143 HB3 CYS 20 HB3 CYS 20 -12.597 -22.332 -5.155 144 H GLY 21 H GLY 21 -14.389 -26.383 -4.398 145 HA2 GLY 21 HA2 GLY 21 -12.297 -27.329 -6.193 146 HA3 GLY 21 HA3 GLY 21 -13.429 -28.312 -5.272 147 H1 PHE 1 H1 PHE 1 -6.827 -9.358 -3.295 148 H2 PHE 1 H2 PHE 1 -6.597 -8.861 -1.745 149 H3 PHE 1 H3 PHE 1 -8.087 -9.287 -2.258 150 HA PHE 1 HA PHE 1 -7.169 -10.998 -0.871 151 HB2 PHE 1 HB2 PHE 1 -8.753 -11.818 -2.444 152 HB3 PHE 1 HB3 PHE 1 -7.610 -11.721 -3.775 153 HD1 PHE 1 HD1 PHE 1 -6.738 -13.766 -4.523 154 HD2 PHE 1 HD2 PHE 1 -7.682 -13.322 -0.334 155 HE1 PHE 1 HE1 PHE 1 -5.935 -16.062 -4.081 156 HE2 PHE 1 HE2 PHE 1 -6.913 -15.637 0.083 157 HZ PHE 1 HZ PHE 1 -6.019 -17.012 -1.787 158 H VAL 2 H VAL 2 -5.230 -11.136 -3.948 159 HA VAL 2 HA VAL 2 -3.715 -13.201 -3.012 160 HB VAL 2 HB VAL 2 -3.940 -12.617 -5.331 161 HG11 VAL 2 HG11 VAL 2 -1.867 -10.418 -4.928 162 HG12 VAL 2 HG12 VAL 2 -2.593 -10.941 -6.457 163 HG13 VAL 2 HG13 VAL 2 -3.594 -10.147 -5.236 164 HG21 VAL 2 HG21 VAL 2 -2.100 -14.123 -4.599 165 HG22 VAL 2 HG22 VAL 2 -1.744 -13.254 -6.101 166 HG23 VAL 2 HG23 VAL 2 -0.996 -12.726 -4.584 167 H ASN 3 H ASN 3 -2.124 -13.611 -1.740 168 HA ASN 3 HA ASN 3 -0.615 -13.359 -0.072 169 HB2 ASN 3 HB2 ASN 3 0.691 -11.970 -2.430 170 HB3 ASN 3 HB3 ASN 3 1.574 -12.504 -0.997 171 HD21 ASN 3 HD21 ASN 3 1.125 -15.240 -3.758 172 HD22 ASN 3 HD22 ASN 3 1.268 -13.506 -4.030 173 H GLN 4 H GLN 4 -2.536 -11.673 0.646 174 HA GLN 4 HA GLN 4 -0.935 -9.821 2.305 175 HB2 GLN 4 HB2 GLN 4 -2.428 -7.986 2.084 176 HB3 GLN 4 HB3 GLN 4 -1.933 -8.473 0.478 177 HG2 GLN 4 HG2 GLN 4 -4.300 -9.944 0.914 178 HG3 GLN 4 HG3 GLN 4 -4.617 -8.444 1.758 179 HE21 GLN 4 HE21 GLN 4 -3.914 -7.859 -2.267 180 HE22 GLN 4 HE22 GLN 4 -2.815 -8.931 -1.420 181 H HIS 5 H HIS 5 -1.838 -9.390 4.374 182 HA HIS 5 HA HIS 5 -3.118 -11.764 5.407 183 HB2 HIS 5 HB2 HIS 5 -1.968 -9.377 6.869 184 HB3 HIS 5 HB3 HIS 5 -2.445 -10.908 7.604 185 HD2 HIS 5 HD2 HIS 5 -0.796 -12.937 7.479 186 HE1 HIS 5 HE1 HIS 5 2.300 -11.126 5.170 187 HE2 HIS 5 HE2 HIS 5 1.666 -13.161 6.567 188 H LEU 6 H LEU 6 -4.896 -9.770 3.990 189 HA LEU 6 HA LEU 6 -6.794 -8.757 5.900 190 HB2 LEU 6 HB2 LEU 6 -6.514 -7.982 3.559 191 HB3 LEU 6 HB3 LEU 6 -7.137 -9.508 2.964 192 HG LEU 6 HG LEU 6 -8.691 -7.583 2.861 193 HD11 LEU 6 HD11 LEU 6 -9.876 -9.709 4.671 194 HD12 LEU 6 HD12 LEU 6 -10.693 -8.681 3.493 195 HD13 LEU 6 HD13 LEU 6 -9.565 -9.925 2.932 196 HD21 LEU 6 HD21 LEU 6 -8.054 -6.492 4.998 197 HD22 LEU 6 HD22 LEU 6 -9.802 -6.697 4.804 198 HD23 LEU 6 HD23 LEU 6 -8.908 -7.775 5.888 199 H CYS 7 H CYS 7 -8.344 -9.787 7.028 200 HA CYS 7 HA CYS 7 -8.924 -12.657 6.545 201 HB2 CYS 7 HB2 CYS 7 -6.801 -12.442 7.764 202 HB3 CYS 7 HB3 CYS 7 -7.583 -11.452 8.987 203 H GLY 8 H GLY 8 -10.611 -13.533 7.844 204 HA2 GLY 8 HA2 GLY 8 -12.508 -13.310 9.359 205 HA3 GLY 8 HA3 GLY 8 -12.641 -11.611 8.934 206 H SER 9 H SER 9 -14.918 -12.967 8.782 207 HA SER 9 HA SER 9 -15.471 -14.529 6.537 208 HB2 SER 9 HB2 SER 9 -17.778 -14.266 6.956 209 HB3 SER 9 HB3 SER 9 -16.962 -14.227 8.518 210 HG SER 9 HG SER 9 -18.288 -12.192 7.088 211 H HIS 10 H HIS 10 -14.972 -11.082 6.368 212 HA HIS 10 HA HIS 10 -16.485 -10.604 3.963 213 HB2 HIS 10 HB2 HIS 10 -14.018 -9.267 5.110 214 HB3 HIS 10 HB3 HIS 10 -14.788 -8.752 3.612 215 HD2 HIS 10 HD2 HIS 10 -17.635 -9.707 5.741 216 HE1 HIS 10 HE1 HIS 10 -17.047 -5.576 6.590 217 HE2 HIS 10 HE2 HIS 10 -18.656 -7.539 6.801 218 H LEU 11 H LEU 11 -13.430 -12.357 4.394 219 HA LEU 11 HA LEU 11 -13.370 -12.692 1.439 220 HB2 LEU 11 HB2 LEU 11 -11.242 -12.091 2.780 221 HB3 LEU 11 HB3 LEU 11 -11.244 -13.786 3.251 222 HG LEU 11 HG LEU 11 -11.723 -13.810 0.427 223 HD11 LEU 11 HD11 LEU 11 -9.485 -11.862 1.045 224 HD12 LEU 11 HD12 LEU 11 -9.992 -12.482 -0.550 225 HD13 LEU 11 HD13 LEU 11 -11.075 -11.429 0.371 226 HD21 LEU 11 HD21 LEU 11 -10.352 -15.442 1.626 227 HD22 LEU 11 HD22 LEU 11 -9.523 -14.787 0.227 228 HD23 LEU 11 HD23 LEU 11 -9.075 -14.218 1.860 229 H VAL 12 H VAL 12 -15.226 -13.996 3.577 230 HA VAL 12 HA VAL 12 -15.320 -16.611 2.105 231 HB VAL 12 HB VAL 12 -16.947 -15.667 4.498 232 HG11 VAL 12 HG11 VAL 12 -17.135 -18.257 2.913 233 HG12 VAL 12 HG12 VAL 12 -17.954 -17.914 4.455 234 HG13 VAL 12 HG13 VAL 12 -18.377 -16.984 3.022 235 HG21 VAL 12 HG21 VAL 12 -14.671 -16.425 5.096 236 HG22 VAL 12 HG22 VAL 12 -15.901 -17.571 5.646 237 HG23 VAL 12 HG23 VAL 12 -14.940 -17.930 4.193 238 H GLU 13 H GLU 13 -17.223 -13.733 3.027 239 HA GLU 13 HA GLU 13 -19.349 -14.047 1.189 240 HB2 GLU 13 HB2 GLU 13 -18.180 -11.575 2.514 241 HB3 GLU 13 HB3 GLU 13 -19.737 -11.612 1.677 242 HG2 GLU 13 HG2 GLU 13 -20.719 -13.047 3.296 243 HG3 GLU 13 HG3 GLU 13 -19.172 -13.542 3.964 244 H ALA 14 H ALA 14 -16.307 -12.094 0.780 245 HA ALA 14 HA ALA 14 -16.935 -11.427 -1.972 246 HB1 ALA 14 HB1 ALA 14 -14.262 -11.380 -0.513 247 HB2 ALA 14 HB2 ALA 14 -14.658 -10.565 -2.037 248 HB3 ALA 14 HB3 ALA 14 -15.452 -10.054 -0.536 249 H LEU 15 H LEU 15 -15.376 -14.244 -0.477 250 HA LEU 15 HA LEU 15 -14.052 -15.216 -2.849 251 HB2 LEU 15 HB2 LEU 15 -13.215 -15.916 -0.860 252 HB3 LEU 15 HB3 LEU 15 -14.759 -16.263 -0.143 253 HG LEU 15 HG LEU 15 -13.127 -18.137 -0.578 254 HD11 LEU 15 HD11 LEU 15 -16.015 -18.443 -1.423 255 HD12 LEU 15 HD12 LEU 15 -14.915 -19.757 -0.931 256 HD13 LEU 15 HD13 LEU 15 -15.374 -18.491 0.218 257 HD21 LEU 15 HD21 LEU 15 -12.771 -17.561 -3.052 258 HD22 LEU 15 HD22 LEU 15 -12.999 -19.263 -2.601 259 HD23 LEU 15 HD23 LEU 15 -14.330 -18.372 -3.331 260 H TYR 16 H TYR 16 -17.366 -15.745 -1.570 261 HA TYR 16 HA TYR 16 -18.267 -17.370 -3.764 262 HB2 TYR 16 HB2 TYR 16 -19.734 -15.525 -1.867 263 HB3 TYR 16 HB3 TYR 16 -20.542 -16.498 -3.083 264 HD1 TYR 16 HD1 TYR 16 -19.838 -19.082 -3.137 265 HD2 TYR 16 HD2 TYR 16 -19.618 -16.489 0.305 266 HE1 TYR 16 HE1 TYR 16 -19.919 -21.064 -1.642 267 HE2 TYR 16 HE2 TYR 16 -19.718 -18.485 1.800 268 HH TYR 16 HH TYR 16 -19.984 -21.817 0.526 269 H LEU 17 H LEU 17 -17.370 -14.042 -3.874 270 HA LEU 17 HA LEU 17 -18.793 -13.674 -6.478 271 HB2 LEU 17 HB2 LEU 17 -17.158 -11.678 -4.874 272 HB3 LEU 17 HB3 LEU 17 -18.086 -11.350 -6.327 273 HG LEU 17 HG LEU 17 -19.275 -12.213 -3.647 274 HD11 LEU 17 HD11 LEU 17 -19.252 -9.504 -5.033 275 HD12 LEU 17 HD12 LEU 17 -20.078 -9.904 -3.508 276 HD13 LEU 17 HD13 LEU 17 -18.310 -9.949 -3.592 277 HD21 LEU 17 HD21 LEU 17 -20.715 -12.917 -5.514 278 HD22 LEU 17 HD22 LEU 17 -21.438 -11.549 -4.664 279 HD23 LEU 17 HD23 LEU 17 -20.624 -11.288 -6.223 280 H VAL 18 H VAL 18 -15.524 -13.798 -5.059 281 HA VAL 18 HA VAL 18 -14.079 -13.278 -7.475 282 HB VAL 18 HB VAL 18 -13.286 -14.499 -4.818 283 HG11 VAL 18 HG11 VAL 18 -11.440 -13.815 -7.143 284 HG12 VAL 18 HG12 VAL 18 -10.916 -14.136 -5.475 285 HG13 VAL 18 HG13 VAL 18 -11.676 -15.420 -6.410 286 HG21 VAL 18 HG21 VAL 18 -13.863 -12.050 -4.892 287 HG22 VAL 18 HG22 VAL 18 -12.171 -12.347 -4.480 288 HG23 VAL 18 HG23 VAL 18 -12.609 -11.821 -6.121 289 H CYS 19 H CYS 19 -14.726 -16.452 -5.834 290 HA CYS 19 HA CYS 19 -13.675 -17.839 -8.227 291 HB2 CYS 19 HB2 CYS 19 -13.311 -18.533 -5.776 292 HB3 CYS 19 HB3 CYS 19 -14.941 -19.197 -5.854 293 H GLY 20 H GLY 20 -16.792 -17.074 -6.776 294 HA2 GLY 20 HA2 GLY 20 -18.778 -16.647 -7.803 295 HA3 GLY 20 HA3 GLY 20 -17.992 -16.964 -9.334 296 H GLU 21 H GLU 21 -17.598 -19.554 -9.577 297 HA GLU 21 HA GLU 21 -20.339 -19.958 -10.359 298 HB2 GLU 21 HB2 GLU 21 -18.868 -21.996 -11.599 299 HB3 GLU 21 HB3 GLU 21 -19.415 -20.470 -12.235 300 HG2 GLU 21 HG2 GLU 21 -17.170 -20.659 -12.818 301 HG3 GLU 21 HG3 GLU 21 -17.235 -19.415 -11.585 302 H ARG 22 H ARG 22 -18.089 -22.351 -8.986 303 HA ARG 22 HA ARG 22 -19.800 -24.510 -9.379 304 HB2 ARG 22 HB2 ARG 22 -17.295 -24.025 -7.770 305 HB3 ARG 22 HB3 ARG 22 -18.107 -25.580 -7.599 306 HG2 ARG 22 HG2 ARG 22 -17.839 -26.176 -9.839 307 HG3 ARG 22 HG3 ARG 22 -17.530 -24.526 -10.384 308 HD2 ARG 22 HD2 ARG 22 -15.637 -25.890 -8.454 309 HD3 ARG 22 HD3 ARG 22 -15.534 -26.194 -10.199 310 HE ARG 22 HE ARG 22 -15.642 -23.375 -9.760 311 HH11 ARG 22 HH11 ARG 22 -13.280 -25.907 -9.054 312 HH12 ARG 22 HH12 ARG 22 -11.957 -24.784 -9.338 313 HH21 ARG 22 HH21 ARG 22 -13.953 -22.175 -10.280 314 HH22 ARG 22 HH22 ARG 22 -12.316 -22.703 -9.837 315 H GLY 23 H GLY 23 -19.790 -22.597 -6.425 316 HA2 GLY 23 HA2 GLY 23 -21.123 -22.802 -4.490 317 HA3 GLY 23 HA3 GLY 23 -21.926 -24.219 -5.173 318 H PHE 24 H PHE 24 -19.615 -23.140 -2.967 319 HA PHE 24 HA PHE 24 -17.604 -25.125 -3.537 320 HB2 PHE 24 HB2 PHE 24 -17.558 -23.005 -1.397 321 HB3 PHE 24 HB3 PHE 24 -16.183 -23.753 -2.187 322 HD1 PHE 24 HD1 PHE 24 -16.800 -20.784 -1.846 323 HD2 PHE 24 HD2 PHE 24 -17.493 -23.489 -5.135 324 HE1 PHE 24 HE1 PHE 24 -16.859 -18.881 -3.426 325 HE2 PHE 24 HE2 PHE 24 -17.681 -21.562 -6.676 326 HZ PHE 24 HZ PHE 24 -17.419 -19.254 -5.811 327 H PHE 25 H PHE 25 -16.366 -26.334 -2.003 328 HA PHE 25 HA PHE 25 -18.152 -28.012 -0.420 329 HB2 PHE 25 HB2 PHE 25 -16.407 -28.861 -1.972 330 HB3 PHE 25 HB3 PHE 25 -15.159 -28.199 -0.930 331 HD1 PHE 25 HD1 PHE 25 -18.203 -30.425 -0.720 332 HD2 PHE 25 HD2 PHE 25 -14.139 -29.730 0.555 333 HE1 PHE 25 HE1 PHE 25 -18.218 -32.583 0.506 334 HE2 PHE 25 HE2 PHE 25 -14.151 -31.905 1.753 335 HZ PHE 25 HZ PHE 25 -16.191 -33.326 1.745 336 H TYR 26 H TYR 26 -15.171 -26.207 0.328 337 HA TYR 26 HA TYR 26 -14.280 -25.416 2.283 338 HB2 TYR 26 HB2 TYR 26 -16.179 -23.940 1.197 339 HB3 TYR 26 HB3 TYR 26 -16.972 -24.160 2.736 340 HD1 TYR 26 HD1 TYR 26 -14.332 -24.032 4.508 341 HD2 TYR 26 HD2 TYR 26 -15.836 -21.628 1.242 342 HE1 TYR 26 HE1 TYR 26 -13.054 -22.106 5.337 343 HE2 TYR 26 HE2 TYR 26 -14.513 -19.692 2.090 344 HH TYR 26 HH TYR 26 -12.552 -19.909 5.074 345 H THR 27 H THR 27 -14.813 -28.005 2.958 346 HA THR 27 HA THR 27 -16.555 -28.269 5.183 347 HB THR 27 HB THR 27 -15.968 -30.099 3.697 348 HG1 THR 27 HG1 THR 27 -16.012 -31.617 5.309 349 HG21 THR 27 HG21 THR 27 -13.351 -30.285 5.258 350 HG22 THR 27 HG22 THR 27 -13.995 -31.503 4.149 351 HG23 THR 27 HG23 THR 27 -13.520 -29.925 3.518 352 HA PRO 28 HA PRO 28 -13.013 -28.101 8.263 353 HB2 PRO 28 HB2 PRO 28 -10.573 -27.085 7.821 354 HB3 PRO 28 HB3 PRO 28 -11.065 -28.651 7.116 355 HG2 PRO 28 HG2 PRO 28 -11.065 -25.936 5.758 356 HG3 PRO 28 HG3 PRO 28 -10.393 -27.485 5.163 357 HD2 PRO 28 HD2 PRO 28 -12.917 -26.512 4.535 358 HD3 PRO 28 HD3 PRO 28 -12.488 -28.243 4.529 359 H LYS 29 H LYS 29 -14.871 -26.585 8.551 360 HA LYS 29 HA LYS 29 -15.834 -24.805 9.577 361 HB2 LYS 29 HB2 LYS 29 -13.061 -23.689 10.012 362 HB3 LYS 29 HB3 LYS 29 -14.523 -23.142 10.799 363 HG2 LYS 29 HG2 LYS 29 -14.519 -24.809 12.346 364 HG3 LYS 29 HG3 LYS 29 -13.949 -26.040 11.221 365 HD2 LYS 29 HD2 LYS 29 -12.274 -25.573 12.984 366 HD3 LYS 29 HD3 LYS 29 -11.674 -25.245 11.354 367 HE2 LYS 29 HE2 LYS 29 -12.297 -22.787 11.747 368 HE3 LYS 29 HE3 LYS 29 -12.567 -23.201 13.441 369 HZ1 LYS 29 HZ1 LYS 29 -10.007 -23.717 12.021 370 HZ2 LYS 29 HZ2 LYS 29 -10.299 -22.329 12.776 371 HZ3 LYS 29 HZ3 LYS 29 -10.249 -23.739 13.648 372 H THR 30 H THR 30 -17.026 -23.370 8.545 373 HA THR 30 HA THR 30 -16.023 -21.548 6.484 374 HB THR 30 HB THR 30 -18.601 -21.368 8.088 375 HG1 THR 30 HG1 THR 30 -19.503 -22.425 6.326 376 HG21 THR 30 HG21 THR 30 -17.767 -20.188 5.395 377 HG22 THR 30 HG22 THR 30 -19.397 -20.095 6.098 378 HG23 THR 30 HG23 THR 30 -18.053 -19.270 6.893 379 H ARG 31 H ARG 31 -15.096 -19.585 6.812 380 HA ARG 31 HA ARG 31 -14.155 -19.044 9.507 381 HB2 ARG 31 HB2 ARG 31 -13.528 -18.007 6.741 382 HB3 ARG 31 HB3 ARG 31 -12.855 -17.198 8.136 383 HG2 ARG 31 HG2 ARG 31 -12.585 -20.200 8.143 384 HG3 ARG 31 HG3 ARG 31 -11.720 -19.360 6.874 385 HD2 ARG 31 HD2 ARG 31 -10.240 -19.672 8.699 386 HD3 ARG 31 HD3 ARG 31 -10.545 -17.953 8.549 387 HE ARG 31 HE ARG 31 -11.264 -19.741 10.773 388 HH11 ARG 31 HH11 ARG 31 -11.440 -16.436 9.588 389 HH12 ARG 31 HH12 ARG 31 -12.217 -15.889 11.066 390 HH21 ARG 31 HH21 ARG 31 -12.053 -18.895 12.650 391 HH22 ARG 31 HH22 ARG 31 -12.371 -17.178 12.756 392 H ARG 32 H ARG 32 -14.377 -17.439 10.811 393 HA ARG 32 HA ARG 32 -16.389 -15.276 10.380 394 HB2 ARG 32 HB2 ARG 32 -17.283 -16.572 12.051 395 HB3 ARG 32 HB3 ARG 32 -15.730 -17.068 12.687 396 HG2 ARG 32 HG2 ARG 32 -17.064 -15.701 14.234 397 HG3 ARG 32 HG3 ARG 32 -15.438 -15.114 13.955 398 HD2 ARG 32 HD2 ARG 32 -17.202 -13.359 14.183 399 HD3 ARG 32 HD3 ARG 32 -16.187 -13.213 12.772 400 HE ARG 32 HE ARG 32 -19.002 -14.270 12.774 401 HH11 ARG 32 HH11 ARG 32 -16.420 -12.763 10.929 402 HH12 ARG 32 HH12 ARG 32 -17.529 -12.236 9.695 403 HH21 ARG 32 HH21 ARG 32 -20.299 -13.625 11.059 404 HH22 ARG 32 HH22 ARG 32 -19.590 -12.709 9.754
Contact the webmaster for help, if required. Thursday, July 4, 2024 7:42:08 PM GMT (wattos1)