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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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636303 |
6gft ![]() ![]() |
34267 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H1 AMN 0 23.736 4.918 0.304 2 H2 GLU 1 H2 AMN 0 24.186 3.592 1.175 3 H3 GLU 1 H3 AMN 0 25.335 4.604 0.562 4 HA GLU 1 HA GLU 1 24.736 4.062 -1.655 5 HB2 GLU 1 HB3 GLU 1 26.508 2.786 -0.499 6 HB3 GLU 1 HB2 GLU 1 25.311 1.613 0.057 7 HG2 GLU 1 HG3 GLU 1 26.560 0.807 -1.917 8 HG3 GLU 1 HG2 GLU 1 24.837 0.936 -2.251 9 H CYS 2 H CYS 2 23.122 3.681 -2.968 10 HA CYS 2 HA CYS 2 20.547 2.894 -2.107 11 HB2 CYS 2 HB3 CYS 2 19.930 3.096 -4.423 12 HB3 CYS 2 HB2 CYS 2 21.025 4.394 -3.990 13 H LYS 3 H LYS 3 19.322 1.050 -2.517 14 HA LYS 3 HA LYS 3 20.788 -1.465 -2.381 15 HB2 LYS 3 HB3 LYS 3 17.868 -0.651 -2.229 16 HB3 LYS 3 HB2 LYS 3 18.352 -2.348 -2.285 17 HG2 LYS 3 HG3 LYS 3 19.414 -0.413 -0.187 18 HG3 LYS 3 HG2 LYS 3 17.935 -1.358 0.017 19 HD2 LYS 3 HD3 LYS 3 19.192 -3.458 -0.248 20 HD3 LYS 3 HD2 LYS 3 20.704 -2.545 -0.456 21 HE2 LYS 3 HE3 LYS 3 20.437 -1.562 1.786 22 HE3 LYS 3 HE2 LYS 3 18.904 -2.428 1.997 23 HZ1 LYS 3 HZ1 LYS 3 20.709 -3.562 3.048 24 HZ2 LYS 3 HZ2 LYS 3 21.534 -3.674 1.624 25 HZ3 LYS 3 HZ3 LYS 3 20.107 -4.479 1.816 26 H GLY 4 H GLY 4 21.436 -2.554 -4.099 27 HA2 GLY 4 HA2 GLY 4 20.595 -1.981 -6.794 28 HA3 GLY 4 HA3 GLY 4 21.708 -3.243 -6.249 29 H PHE 5 H PHE 5 20.264 -4.130 -8.204 30 HA PHE 5 HA PHE 5 17.629 -4.871 -7.879 31 HB2 PHE 5 HB3 PHE 5 18.838 -4.675 -9.991 32 HB3 PHE 5 HB2 PHE 5 19.946 -5.959 -9.526 33 HD1 PHE 5 HD1 PHE 5 16.208 -5.453 -9.666 34 HD2 PHE 5 HD2 PHE 5 19.569 -8.020 -10.539 35 HE1 PHE 5 HE1 PHE 5 14.662 -7.182 -10.550 36 HE2 PHE 5 HE2 PHE 5 18.016 -9.729 -11.447 37 HZ PHE 5 HZ PHE 5 15.575 -9.303 -11.438 38 H GLY 6 H GLY 6 16.671 -6.347 -6.682 39 HA2 GLY 6 HA2 GLY 6 16.179 -8.270 -5.608 40 HA3 GLY 6 HA3 GLY 6 17.655 -9.009 -6.244 41 H LYS 7 H LYS 7 17.433 -6.025 -4.252 42 HA LYS 7 HA LYS 7 18.610 -7.468 -1.930 43 HB2 LYS 7 HB3 LYS 7 19.316 -4.657 -2.846 44 HB3 LYS 7 HB2 LYS 7 19.915 -5.502 -1.417 45 HG2 LYS 7 HG3 LYS 7 20.862 -7.292 -2.954 46 HG3 LYS 7 HG2 LYS 7 20.431 -6.247 -4.323 47 HD2 LYS 7 HD3 LYS 7 21.844 -4.424 -3.285 48 HD3 LYS 7 HD2 LYS 7 22.306 -5.573 -2.018 49 HE2 LYS 7 HE3 LYS 7 24.076 -5.569 -3.655 50 HE3 LYS 7 HE2 LYS 7 23.208 -7.105 -3.800 51 HZ1 LYS 7 HZ1 LYS 7 22.027 -6.185 -5.664 52 HZ2 LYS 7 HZ2 LYS 7 23.655 -6.128 -5.925 53 HZ3 LYS 7 HZ3 LYS 7 22.835 -4.755 -5.523 54 H SER 8 H SER 8 17.856 -6.984 0.017 55 HA SER 8 HA SER 8 15.120 -6.344 0.163 56 HB2 SER 8 HB3 SER 8 17.215 -6.671 2.346 57 HB3 SER 8 HB2 SER 8 15.464 -6.590 2.624 58 HG SER 8 HG SER 8 15.248 -8.416 1.264 59 H CYS 9 H CYS 9 14.169 -4.439 0.097 60 HA CYS 9 HA CYS 9 15.645 -1.967 0.455 61 HB2 CYS 9 HB3 CYS 9 13.724 -0.899 -0.401 62 HB3 CYS 9 HB2 CYS 9 13.910 -2.368 -1.319 63 H VAL 10 H VAL 10 14.656 -0.184 1.601 64 HA VAL 10 HA VAL 10 13.457 -0.608 4.250 65 HB VAL 10 HB VAL 10 14.162 1.798 2.529 66 HG11 VAL 10 HG11 VAL 10 12.066 2.430 3.583 67 HG12 VAL 10 HG12 VAL 10 13.385 3.228 4.437 68 HG13 VAL 10 HG13 VAL 10 12.611 1.793 5.152 69 HG21 VAL 10 HG21 VAL 10 15.659 2.347 4.389 70 HG22 VAL 10 HG22 VAL 10 15.996 0.703 3.820 71 HG23 VAL 10 HG23 VAL 10 15.068 0.945 5.314 72 HA PRO 11 HA PRO 11 9.498 -1.022 1.966 73 HB2 PRO 11 HB3 PRO 11 8.395 -0.797 4.760 74 HB3 PRO 11 HB2 PRO 11 7.982 -1.952 3.458 75 HG2 PRO 11 HG3 PRO 11 9.568 -2.690 5.528 76 HG3 PRO 11 HG2 PRO 11 9.959 -3.219 3.858 77 HD2 PRO 11 HD3 PRO 11 11.147 -0.907 5.423 78 HD3 PRO 11 HD2 PRO 11 11.976 -2.173 4.469 79 H GLY 12 H GLY 12 9.507 0.865 0.925 80 HA2 GLY 12 HA2 GLY 12 7.799 2.979 1.292 81 HA3 GLY 12 HA3 GLY 12 9.271 3.461 2.153 82 H LYS 13 H LYS 13 10.528 1.512 -0.168 83 HA LYS 13 HA LYS 13 11.676 1.737 -2.001 84 HB2 LYS 13 HB3 LYS 13 9.691 3.869 -2.902 85 HB3 LYS 13 HB2 LYS 13 10.822 2.986 -3.925 86 HG2 LYS 13 HG3 LYS 13 9.652 0.891 -3.535 87 HG3 LYS 13 HG2 LYS 13 8.554 1.655 -2.372 88 HD2 LYS 13 HD3 LYS 13 7.649 3.119 -4.115 89 HD3 LYS 13 HD2 LYS 13 8.765 2.425 -5.309 90 HE2 LYS 13 HE3 LYS 13 7.743 0.201 -4.982 91 HE3 LYS 13 HE2 LYS 13 6.655 0.867 -3.749 92 HZ1 LYS 13 HZ1 LYS 13 6.728 1.651 -6.576 93 HZ2 LYS 13 HZ2 LYS 13 5.717 2.274 -5.432 94 HZ3 LYS 13 HZ3 LYS 13 5.591 0.688 -5.868 95 H ASN 14 H ASN 14 12.244 3.246 0.384 96 HA ASN 14 HA ASN 14 13.141 5.867 -0.280 97 HB2 ASN 14 HB3 ASN 14 12.362 5.160 1.969 98 HB3 ASN 14 HB2 ASN 14 13.781 4.126 2.137 99 HD21 ASN 14 HD21 ASN 14 15.437 5.017 3.279 100 HD22 ASN 14 HD22 ASN 14 15.748 6.731 3.443 101 H GLU 15 H GLU 15 14.567 2.736 -0.729 102 HA GLU 15 HA GLU 15 17.329 3.866 -0.733 103 HB2 GLU 15 HB3 GLU 15 16.318 1.098 -0.033 104 HB3 GLU 15 HB2 GLU 15 18.018 1.493 -0.279 105 HG2 GLU 15 HG3 GLU 15 16.236 2.782 1.824 106 HG3 GLU 15 HG2 GLU 15 17.419 1.501 2.107 107 H CYS 16 H CYS 16 15.114 1.776 -2.670 108 HA CYS 16 HA CYS 16 17.056 0.530 -4.186 109 HB2 CYS 16 HB3 CYS 16 14.271 1.350 -5.053 110 HB3 CYS 16 HB2 CYS 16 15.301 0.172 -5.864 111 H CYS 17 H CYS 17 18.269 0.940 -5.948 112 HA CYS 17 HA CYS 17 19.053 3.574 -6.528 113 HB2 CYS 17 HB3 CYS 17 19.536 1.076 -8.186 114 HB3 CYS 17 HB2 CYS 17 20.460 2.558 -8.259 115 H SER 18 H SER 18 19.377 4.328 -8.873 116 HA SER 18 HA SER 18 16.878 4.969 -10.077 117 HB2 SER 18 HB3 SER 18 18.280 5.997 -11.840 118 HB3 SER 18 HB2 SER 18 18.715 6.499 -10.200 119 HG SER 18 HG SER 18 20.053 4.534 -11.748 120 H GLY 19 H GLY 19 15.641 3.564 -11.040 121 HA2 GLY 19 HA2 GLY 19 15.067 2.402 -13.049 122 HA3 GLY 19 HA3 GLY 19 16.685 1.695 -13.111 123 H LEU 20 H LEU 20 15.050 1.938 -10.022 124 HA LEU 20 HA LEU 20 14.076 -0.853 -10.052 125 HB2 LEU 20 HB3 LEU 20 15.912 0.374 -7.962 126 HB3 LEU 20 HB2 LEU 20 15.100 -1.176 -7.800 127 HG LEU 20 HG LEU 20 17.148 -0.573 -9.966 128 HD11 LEU 20 HD11 LEU 20 17.542 -2.084 -7.357 129 HD12 LEU 20 HD12 LEU 20 18.090 -0.430 -7.658 130 HD13 LEU 20 HD13 LEU 20 18.761 -1.761 -8.614 131 HD21 LEU 20 HD21 LEU 20 17.254 -3.032 -10.185 132 HD22 LEU 20 HD22 LEU 20 15.624 -2.453 -10.504 133 HD23 LEU 20 HD23 LEU 20 15.989 -3.209 -8.944 134 H THR 21 H THR 21 12.722 -1.300 -8.207 135 HA THR 21 HA THR 21 11.554 0.822 -6.640 136 HB THR 21 HB THR 21 10.411 1.263 -8.756 137 HG1 THR 21 HG1 THR 21 8.305 1.024 -7.953 138 HG21 THR 21 HG21 THR 21 10.481 -0.992 -9.833 139 HG22 THR 21 HG22 THR 21 8.867 -0.274 -9.826 140 HG23 THR 21 HG23 THR 21 9.258 -1.562 -8.676 141 H CYS 22 H CYS 22 10.880 -0.074 -4.741 142 HA CYS 22 HA CYS 22 11.395 -2.855 -4.396 143 HB2 CYS 22 HB3 CYS 22 11.819 -1.058 -2.689 144 HB3 CYS 22 HB2 CYS 22 10.083 -1.074 -2.335 145 H SER 23 H SER 23 10.138 -4.516 -4.651 146 HA SER 23 HA SER 23 7.441 -4.617 -5.367 147 HB2 SER 23 HB3 SER 23 9.231 -6.375 -5.615 148 HB3 SER 23 HB2 SER 23 9.122 -6.682 -3.881 149 HG SER 23 HG SER 23 7.013 -6.936 -5.770 150 H ASN 24 H ASN 24 5.545 -4.875 -4.218 151 HA ASN 24 HA ASN 24 5.369 -4.276 -1.403 152 HB2 ASN 24 HB3 ASN 24 3.580 -3.702 -2.960 153 HB3 ASN 24 HB2 ASN 24 3.363 -5.394 -3.409 154 HD21 ASN 24 HD21 ASN 24 1.815 -6.528 -2.297 155 HD22 ASN 24 HD22 ASN 24 1.130 -6.055 -0.759 156 H LYS 25 H LYS 25 5.051 -7.287 -3.376 157 HA LYS 25 HA LYS 25 4.452 -9.000 -1.190 158 HB2 LYS 25 HB3 LYS 25 3.830 -9.400 -3.552 159 HB3 LYS 25 HB2 LYS 25 5.529 -9.645 -3.968 160 HG2 LYS 25 HG3 LYS 25 5.595 -11.602 -2.375 161 HG3 LYS 25 HG2 LYS 25 3.880 -11.328 -2.019 162 HD2 LYS 25 HD3 LYS 25 3.316 -11.744 -4.396 163 HD3 LYS 25 HD2 LYS 25 5.040 -11.972 -4.771 164 HE2 LYS 25 HE3 LYS 25 5.129 -13.877 -3.188 165 HE3 LYS 25 HE2 LYS 25 3.405 -13.658 -2.828 166 HZ1 LYS 25 HZ1 LYS 25 3.765 -15.365 -4.444 167 HZ2 LYS 25 HZ2 LYS 25 4.538 -14.315 -5.455 168 HZ3 LYS 25 HZ3 LYS 25 2.936 -14.111 -5.123 169 H HIS 26 H HIS 26 7.472 -8.780 -3.182 170 HA HIS 26 HA HIS 26 8.870 -10.640 -1.519 171 HB2 HIS 26 HB3 HIS 26 9.817 -8.802 -3.745 172 HB3 HIS 26 HB2 HIS 26 10.786 -10.071 -3.003 173 HD1 HIS 26 HD1 HIS 26 7.446 -9.837 -4.988 174 HD2 HIS 26 HD2 HIS 26 10.666 -12.399 -4.144 175 HE1 HIS 26 HE1 HIS 26 7.133 -11.910 -6.444 176 H LYS 27 H LYS 27 8.595 -7.138 -1.434 177 HA LYS 27 HA LYS 27 9.719 -5.465 -0.474 178 HB2 LYS 27 HB3 LYS 27 10.219 -7.489 1.732 179 HB3 LYS 27 HB2 LYS 27 10.475 -5.754 1.871 180 HG2 LYS 27 HG3 LYS 27 7.779 -7.075 1.349 181 HG3 LYS 27 HG2 LYS 27 8.373 -6.484 2.904 182 HD2 LYS 27 HD3 LYS 27 8.556 -4.168 1.905 183 HD3 LYS 27 HD2 LYS 27 7.772 -4.798 0.441 184 HE2 LYS 27 HE3 LYS 27 5.835 -5.535 1.842 185 HE3 LYS 27 HE2 LYS 27 6.604 -4.775 3.248 186 HZ1 LYS 27 HZ1 LYS 27 4.998 -3.345 2.226 187 HZ2 LYS 27 HZ2 LYS 27 5.793 -3.402 0.782 188 HZ3 LYS 27 HZ3 LYS 27 6.506 -2.690 2.088 189 H TRP 28 H TRP 28 11.072 -6.484 -2.504 190 HA TRP 28 HA TRP 28 13.762 -5.668 -1.743 191 HB2 TRP 28 HB3 TRP 28 14.950 -7.348 -2.794 192 HB3 TRP 28 HB2 TRP 28 13.815 -8.158 -1.754 193 HD1 TRP 28 HD1 TRP 28 11.771 -7.592 -4.711 194 HE1 TRP 28 HE1 TRP 28 11.858 -9.497 -6.352 195 HE3 TRP 28 HE3 TRP 28 15.897 -9.984 -2.881 196 HZ2 TRP 28 HZ2 TRP 28 13.533 -11.820 -6.862 197 HZ3 TRP 28 HZ3 TRP 28 16.726 -12.045 -3.979 198 HH2 TRP 28 HH2 TRP 28 15.556 -12.970 -5.966 199 H CYS 29 H CYS 29 15.026 -4.907 -3.593 200 HA CYS 29 HA CYS 29 13.454 -3.215 -5.299 201 HB2 CYS 29 HB3 CYS 29 16.395 -3.909 -5.361 202 HB3 CYS 29 HB2 CYS 29 15.635 -2.549 -6.184 203 H LYS 30 H LYS 30 12.817 -3.476 -7.368 204 HA LYS 30 HA LYS 30 14.032 -5.487 -9.094 205 HB2 LYS 30 HB3 LYS 30 11.857 -6.457 -9.762 206 HB3 LYS 30 HB2 LYS 30 12.380 -6.872 -8.134 207 HG2 LYS 30 HG3 LYS 30 10.772 -5.327 -7.153 208 HG3 LYS 30 HG2 LYS 30 10.346 -4.680 -8.743 209 HD2 LYS 30 HD3 LYS 30 8.642 -6.250 -7.904 210 HD3 LYS 30 HD2 LYS 30 9.368 -6.806 -9.415 211 HE2 LYS 30 HE3 LYS 30 10.782 -8.403 -8.209 212 HE3 LYS 30 HE2 LYS 30 10.190 -7.798 -6.653 213 HZ1 LYS 30 HZ1 LYS 30 8.008 -8.536 -7.266 214 HZ2 LYS 30 HZ2 LYS 30 9.077 -9.791 -7.310 215 HZ3 LYS 30 HZ3 LYS 30 8.559 -9.099 -8.715 216 H VAL 31 H VAL 31 13.523 -5.222 -11.309 217 HA VAL 31 HA VAL 31 14.146 -2.640 -11.949 218 HB VAL 31 HB VAL 31 13.104 -4.599 -14.005 219 HG11 VAL 31 HG11 VAL 31 14.789 -3.519 -15.430 220 HG12 VAL 31 HG12 VAL 31 15.347 -2.523 -14.068 221 HG13 VAL 31 HG13 VAL 31 13.726 -2.282 -14.743 222 HG21 VAL 31 HG21 VAL 31 14.638 -5.919 -12.668 223 HG22 VAL 31 HG22 VAL 31 15.471 -5.446 -14.146 224 HG23 VAL 31 HG23 VAL 31 15.828 -4.594 -12.627 225 H LEU 32 H LEU 32 13.070 -0.861 -11.957 226 HA LEU 32 HA LEU 32 10.256 -0.510 -12.234 227 HB2 LEU 32 HB3 LEU 32 11.635 1.062 -11.002 228 HB3 LEU 32 HB2 LEU 32 12.660 1.337 -12.397 229 HG LEU 32 HG LEU 32 10.751 2.469 -13.549 230 HD11 LEU 32 HD11 LEU 32 8.747 3.103 -12.233 231 HD12 LEU 32 HD12 LEU 32 9.305 2.096 -10.882 232 HD13 LEU 32 HD13 LEU 32 8.844 1.348 -12.427 233 HD21 LEU 32 HD21 LEU 32 11.427 3.558 -10.782 234 HD22 LEU 32 HD22 LEU 32 12.408 3.751 -12.251 235 HD23 LEU 32 HD23 LEU 32 10.805 4.500 -12.156 236 H LEU 33 H LEU 33 12.980 -0.063 -14.382 237 HA LEU 33 HA LEU 33 11.527 1.013 -16.618 238 HB2 LEU 33 HB3 LEU 33 14.326 -0.161 -16.363 239 HB3 LEU 33 HB2 LEU 33 13.715 0.625 -17.817 240 HG LEU 33 HG LEU 33 14.003 2.003 -15.102 241 HD11 LEU 33 HD11 LEU 33 15.739 2.188 -17.597 242 HD12 LEU 33 HD12 LEU 33 16.181 1.390 -16.071 243 HD13 LEU 33 HD13 LEU 33 15.930 3.142 -16.108 244 HD21 LEU 33 HD21 LEU 33 12.246 3.081 -16.431 245 HD22 LEU 33 HD22 LEU 33 13.315 3.130 -17.852 246 HD23 LEU 33 HD23 LEU 33 13.690 4.096 -16.409 247 HN1 NH2 34 HN1 AMD 34 10.122 -0.114 -17.831 248 HN2 NH2 34 HN2 AMD 34 10.305 -1.786 -18.313 Start of MODEL 2 1 H1 GLU 1 H1 AMN 0 24.574 3.352 0.746 2 H2 GLU 1 H2 AMN 0 25.177 4.873 0.536 3 H3 GLU 1 H3 AMN 0 23.568 4.657 0.830 4 HA GLU 1 HA GLU 1 23.937 5.181 -1.436 5 HB2 GLU 1 HB3 GLU 1 25.186 3.727 -2.901 6 HB3 GLU 1 HB2 GLU 1 26.215 4.309 -1.594 7 HG2 GLU 1 HG3 GLU 1 25.958 2.124 -0.419 8 HG3 GLU 1 HG2 GLU 1 24.922 1.542 -1.729 9 H CYS 2 H CYS 2 22.830 4.129 -3.254 10 HA CYS 2 HA CYS 2 20.382 3.035 -2.362 11 HB2 CYS 2 HB3 CYS 2 19.734 3.120 -4.669 12 HB3 CYS 2 HB2 CYS 2 20.657 4.554 -4.269 13 H LYS 3 H LYS 3 19.382 1.062 -2.746 14 HA LYS 3 HA LYS 3 21.138 -1.274 -2.671 15 HB2 LYS 3 HB3 LYS 3 18.157 -0.794 -2.346 16 HB3 LYS 3 HB2 LYS 3 18.806 -2.423 -2.482 17 HG2 LYS 3 HG3 LYS 3 19.738 -0.437 -0.366 18 HG3 LYS 3 HG2 LYS 3 18.434 -1.611 -0.128 19 HD2 LYS 3 HD3 LYS 3 20.024 -3.464 -0.608 20 HD3 LYS 3 HD2 LYS 3 21.344 -2.285 -0.761 21 HE2 LYS 3 HE3 LYS 3 20.935 -1.536 1.564 22 HE3 LYS 3 HE2 LYS 3 19.631 -2.732 1.714 23 HZ1 LYS 3 HZ1 LYS 3 21.249 -4.445 1.317 24 HZ2 LYS 3 HZ2 LYS 3 21.671 -3.538 2.629 25 HZ3 LYS 3 HZ3 LYS 3 22.457 -3.330 1.194 26 H GLY 4 H GLY 4 21.560 -2.633 -4.277 27 HA2 GLY 4 HA2 GLY 4 20.660 -2.135 -6.988 28 HA3 GLY 4 HA3 GLY 4 21.758 -3.398 -6.421 29 H PHE 5 H PHE 5 20.110 -4.238 -8.284 30 HA PHE 5 HA PHE 5 17.496 -4.931 -7.745 31 HB2 PHE 5 HB3 PHE 5 18.528 -4.759 -9.940 32 HB3 PHE 5 HB2 PHE 5 19.683 -6.024 -9.553 33 HD1 PHE 5 HD1 PHE 5 15.924 -5.620 -9.394 34 HD2 PHE 5 HD2 PHE 5 19.291 -8.042 -10.606 35 HE1 PHE 5 HE1 PHE 5 14.375 -7.377 -10.236 36 HE2 PHE 5 HE2 PHE 5 17.733 -9.771 -11.459 37 HZ PHE 5 HZ PHE 5 15.287 -9.429 -11.260 38 H GLY 6 H GLY 6 16.567 -6.480 -6.590 39 HA2 GLY 6 HA2 GLY 6 16.148 -8.402 -5.489 40 HA3 GLY 6 HA3 GLY 6 17.608 -9.113 -6.188 41 H LYS 7 H LYS 7 17.502 -6.139 -4.180 42 HA LYS 7 HA LYS 7 18.685 -7.627 -1.887 43 HB2 LYS 7 HB3 LYS 7 19.376 -4.806 -2.781 44 HB3 LYS 7 HB2 LYS 7 19.994 -5.666 -1.367 45 HG2 LYS 7 HG3 LYS 7 20.957 -7.417 -2.913 46 HG3 LYS 7 HG2 LYS 7 20.485 -6.388 -4.282 47 HD2 LYS 7 HD3 LYS 7 21.872 -4.528 -3.294 48 HD3 LYS 7 HD2 LYS 7 22.363 -5.636 -2.001 49 HE2 LYS 7 HE3 LYS 7 24.131 -5.643 -3.628 50 HE3 LYS 7 HE2 LYS 7 23.285 -7.193 -3.757 51 HZ1 LYS 7 HZ1 LYS 7 22.884 -4.869 -5.509 52 HZ2 LYS 7 HZ2 LYS 7 22.099 -6.313 -5.636 53 HZ3 LYS 7 HZ3 LYS 7 23.727 -6.235 -5.892 54 H SER 8 H SER 8 18.045 -7.075 0.113 55 HA SER 8 HA SER 8 15.337 -6.373 0.432 56 HB2 SER 8 HB3 SER 8 16.601 -7.903 1.905 57 HB3 SER 8 HB2 SER 8 17.555 -6.535 2.515 58 HG SER 8 HG SER 8 14.735 -6.838 2.695 59 H CYS 9 H CYS 9 14.323 -4.520 0.718 60 HA CYS 9 HA CYS 9 15.876 -2.006 0.763 61 HB2 CYS 9 HB3 CYS 9 13.972 -1.041 -0.296 62 HB3 CYS 9 HB2 CYS 9 14.293 -2.563 -1.092 63 H VAL 10 H VAL 10 14.674 -0.151 1.695 64 HA VAL 10 HA VAL 10 13.508 -0.496 4.364 65 HB VAL 10 HB VAL 10 13.962 1.870 2.501 66 HG11 VAL 10 HG11 VAL 10 13.100 3.318 4.362 67 HG12 VAL 10 HG12 VAL 10 12.506 1.862 5.184 68 HG13 VAL 10 HG13 VAL 10 11.837 2.344 3.608 69 HG21 VAL 10 HG21 VAL 10 15.451 2.649 4.273 70 HG22 VAL 10 HG22 VAL 10 15.916 1.001 3.817 71 HG23 VAL 10 HG23 VAL 10 14.996 1.273 5.308 72 HA PRO 11 HA PRO 11 9.621 -1.275 2.174 73 HB2 PRO 11 HB3 PRO 11 7.921 -1.627 4.257 74 HB3 PRO 11 HB2 PRO 11 9.238 -2.773 3.883 75 HG2 PRO 11 HG3 PRO 11 9.291 -0.525 5.923 76 HG3 PRO 11 HG2 PRO 11 9.733 -2.247 6.165 77 HD2 PRO 11 HD3 PRO 11 11.594 -0.321 5.609 78 HD3 PRO 11 HD2 PRO 11 11.754 -1.992 4.990 79 H GLY 12 H GLY 12 10.006 0.932 1.413 80 HA2 GLY 12 HA2 GLY 12 7.603 2.396 1.356 81 HA3 GLY 12 HA3 GLY 12 8.736 3.256 2.413 82 H LYS 13 H LYS 13 10.173 1.377 -0.171 83 HA LYS 13 HA LYS 13 11.463 1.877 -1.878 84 HB2 LYS 13 HB3 LYS 13 9.208 3.798 -2.566 85 HB3 LYS 13 HB2 LYS 13 10.463 3.246 -3.682 86 HG2 LYS 13 HG3 LYS 13 9.688 0.943 -3.526 87 HG3 LYS 13 HG2 LYS 13 8.498 1.371 -2.282 88 HD2 LYS 13 HD3 LYS 13 7.321 2.845 -3.858 89 HD3 LYS 13 HD2 LYS 13 8.508 2.465 -5.123 90 HE2 LYS 13 HE3 LYS 13 7.870 0.076 -5.000 91 HE3 LYS 13 HE2 LYS 13 6.699 0.448 -3.720 92 HZ1 LYS 13 HZ1 LYS 13 5.539 1.835 -5.278 93 HZ2 LYS 13 HZ2 LYS 13 5.663 0.294 -5.855 94 HZ3 LYS 13 HZ3 LYS 13 6.629 1.484 -6.465 95 H ASN 14 H ASN 14 12.681 2.822 0.123 96 HA ASN 14 HA ASN 14 13.487 5.625 -0.482 97 HB2 ASN 14 HB3 ASN 14 13.520 4.228 2.206 98 HB3 ASN 14 HB2 ASN 14 13.954 5.904 1.893 99 HD21 ASN 14 HD21 ASN 14 12.087 7.150 0.590 100 HD22 ASN 14 HD22 ASN 14 10.497 6.963 1.296 101 H GLU 15 H GLU 15 14.590 2.638 -1.096 102 HA GLU 15 HA GLU 15 17.437 3.417 -0.671 103 HB2 GLU 15 HB3 GLU 15 16.120 0.705 -0.347 104 HB3 GLU 15 HB2 GLU 15 17.848 0.908 -0.617 105 HG2 GLU 15 HG3 GLU 15 16.341 2.154 1.705 106 HG3 GLU 15 HG2 GLU 15 17.269 0.651 1.784 107 H CYS 16 H CYS 16 15.269 1.329 -2.689 108 HA CYS 16 HA CYS 16 17.209 0.395 -4.347 109 HB2 CYS 16 HB3 CYS 16 14.317 0.940 -5.057 110 HB3 CYS 16 HB2 CYS 16 15.401 -0.152 -5.916 111 H CYS 17 H CYS 17 18.263 0.940 -6.170 112 HA CYS 17 HA CYS 17 18.825 3.633 -6.664 113 HB2 CYS 17 HB3 CYS 17 19.399 1.234 -8.436 114 HB3 CYS 17 HB2 CYS 17 20.218 2.779 -8.506 115 H SER 18 H SER 18 19.034 4.508 -8.977 116 HA SER 18 HA SER 18 16.427 5.032 -10.086 117 HB2 SER 18 HB3 SER 18 19.240 5.699 -11.049 118 HB3 SER 18 HB2 SER 18 17.740 6.303 -11.783 119 HG SER 18 HG SER 18 18.616 7.760 -10.260 120 H GLY 19 H GLY 19 15.395 3.450 -11.066 121 HA2 GLY 19 HA2 GLY 19 15.076 2.309 -13.228 122 HA3 GLY 19 HA3 GLY 19 16.728 1.699 -13.082 123 H LEU 20 H LEU 20 15.149 1.881 -10.052 124 HA LEU 20 HA LEU 20 14.100 -0.875 -10.092 125 HB2 LEU 20 HB3 LEU 20 15.980 0.289 -8.009 126 HB3 LEU 20 HB2 LEU 20 15.212 -1.292 -7.923 127 HG LEU 20 HG LEU 20 17.224 -0.490 -10.060 128 HD11 LEU 20 HD11 LEU 20 18.205 -0.483 -7.791 129 HD12 LEU 20 HD12 LEU 20 18.851 -1.790 -8.795 130 HD13 LEU 20 HD13 LEU 20 17.635 -2.139 -7.539 131 HD21 LEU 20 HD21 LEU 20 16.151 -3.234 -9.249 132 HD22 LEU 20 HD22 LEU 20 17.381 -2.901 -10.498 133 HD23 LEU 20 HD23 LEU 20 15.727 -2.356 -10.729 134 H THR 21 H THR 21 12.885 -1.298 -8.067 135 HA THR 21 HA THR 21 11.753 0.821 -6.509 136 HB THR 21 HB THR 21 10.564 1.289 -8.606 137 HG1 THR 21 HG1 THR 21 9.538 1.521 -6.598 138 HG21 THR 21 HG21 THR 21 8.955 -0.191 -9.624 139 HG22 THR 21 HG22 THR 21 9.277 -1.472 -8.448 140 HG23 THR 21 HG23 THR 21 10.519 -1.014 -9.634 141 H CYS 22 H CYS 22 11.143 -0.126 -4.577 142 HA CYS 22 HA CYS 22 11.620 -2.930 -4.345 143 HB2 CYS 22 HB3 CYS 22 12.107 -1.143 -2.607 144 HB3 CYS 22 HB2 CYS 22 10.387 -1.213 -2.184 145 H SER 23 H SER 23 10.297 -4.563 -4.669 146 HA SER 23 HA SER 23 7.664 -4.525 -5.465 147 HB2 SER 23 HB3 SER 23 9.331 -6.371 -5.675 148 HB3 SER 23 HB2 SER 23 9.157 -6.710 -3.951 149 HG SER 23 HG SER 23 6.923 -7.091 -4.358 150 H ASN 24 H ASN 24 5.697 -4.502 -4.489 151 HA ASN 24 HA ASN 24 5.314 -3.794 -1.769 152 HB2 ASN 24 HB3 ASN 24 3.762 -3.301 -3.648 153 HB3 ASN 24 HB2 ASN 24 3.361 -5.012 -3.773 154 HD21 ASN 24 HD21 ASN 24 2.823 -2.031 -2.028 155 HD22 ASN 24 HD22 ASN 24 1.620 -2.642 -0.914 156 H LYS 25 H LYS 25 4.970 -6.937 -3.496 157 HA LYS 25 HA LYS 25 4.136 -8.423 -1.193 158 HB2 LYS 25 HB3 LYS 25 3.499 -8.951 -3.514 159 HB3 LYS 25 HB2 LYS 25 5.180 -9.316 -3.914 160 HG2 LYS 25 HG3 LYS 25 5.150 -11.198 -2.260 161 HG3 LYS 25 HG2 LYS 25 3.472 -10.796 -1.853 162 HD2 LYS 25 HD3 LYS 25 2.752 -11.309 -4.140 163 HD3 LYS 25 HD2 LYS 25 4.434 -11.566 -4.646 164 HE2 LYS 25 HE3 LYS 25 4.630 -13.439 -3.029 165 HE3 LYS 25 HE2 LYS 25 2.934 -13.204 -2.562 166 HZ1 LYS 25 HZ1 LYS 25 3.893 -13.906 -5.246 167 HZ2 LYS 25 HZ2 LYS 25 2.316 -13.691 -4.815 168 HZ3 LYS 25 HZ3 LYS 25 3.183 -14.938 -4.173 169 H HIS 26 H HIS 26 7.192 -8.578 -3.148 170 HA HIS 26 HA HIS 26 8.345 -10.456 -1.302 171 HB2 HIS 26 HB3 HIS 26 9.455 -9.064 -3.766 172 HB3 HIS 26 HB2 HIS 26 10.257 -10.371 -2.894 173 HD1 HIS 26 HD1 HIS 26 9.044 -12.826 -3.030 174 HD2 HIS 26 HD2 HIS 26 7.401 -9.758 -5.378 175 HE1 HIS 26 HE1 HIS 26 7.462 -13.941 -4.694 176 H LYS 27 H LYS 27 8.532 -6.985 -1.575 177 HA LYS 27 HA LYS 27 9.881 -5.393 -0.822 178 HB2 LYS 27 HB3 LYS 27 9.748 -7.180 1.611 179 HB3 LYS 27 HB2 LYS 27 10.495 -5.584 1.651 180 HG2 LYS 27 HG3 LYS 27 7.619 -6.034 0.752 181 HG3 LYS 27 HG2 LYS 27 8.096 -5.666 2.413 182 HD2 LYS 27 HD3 LYS 27 9.128 -3.541 1.680 183 HD3 LYS 27 HD2 LYS 27 8.647 -3.857 0.012 184 HE2 LYS 27 HE3 LYS 27 6.269 -3.914 0.692 185 HE3 LYS 27 HE2 LYS 27 6.747 -3.563 2.366 186 HZ1 LYS 27 HZ1 LYS 27 6.081 -1.599 1.198 187 HZ2 LYS 27 HZ2 LYS 27 7.237 -1.833 0.045 188 HZ3 LYS 27 HZ3 LYS 27 7.678 -1.505 1.601 189 H TRP 28 H TRP 28 11.184 -6.614 -2.598 190 HA TRP 28 HA TRP 28 13.824 -5.788 -1.745 191 HB2 TRP 28 HB3 TRP 28 15.066 -7.498 -2.798 192 HB3 TRP 28 HB2 TRP 28 14.005 -8.231 -1.628 193 HD1 TRP 28 HD1 TRP 28 11.778 -7.920 -4.463 194 HE1 TRP 28 HE1 TRP 28 11.761 -9.965 -5.937 195 HE3 TRP 28 HE3 TRP 28 16.049 -10.134 -2.745 196 HZ2 TRP 28 HZ2 TRP 28 13.426 -12.316 -6.373 197 HZ3 TRP 28 HZ3 TRP 28 16.822 -12.277 -3.723 198 HH2 TRP 28 HH2 TRP 28 15.522 -13.373 -5.534 199 H CYS 29 H CYS 29 15.143 -5.087 -3.634 200 HA CYS 29 HA CYS 29 13.615 -3.374 -5.288 201 HB2 CYS 29 HB3 CYS 29 16.489 -4.266 -5.590 202 HB3 CYS 29 HB2 CYS 29 15.752 -2.859 -6.355 203 H LYS 30 H LYS 30 12.787 -3.535 -7.266 204 HA LYS 30 HA LYS 30 13.547 -5.744 -9.076 205 HB2 LYS 30 HB3 LYS 30 10.694 -5.004 -8.317 206 HB3 LYS 30 HB2 LYS 30 11.149 -5.968 -9.727 207 HG2 LYS 30 HG3 LYS 30 12.308 -7.570 -8.192 208 HG3 LYS 30 HG2 LYS 30 11.573 -6.697 -6.818 209 HD2 LYS 30 HD3 LYS 30 9.312 -7.166 -7.711 210 HD3 LYS 30 HD2 LYS 30 10.018 -7.890 -9.155 211 HE2 LYS 30 HE3 LYS 30 11.134 -9.605 -7.713 212 HE3 LYS 30 HE2 LYS 30 10.251 -8.943 -6.319 213 HZ1 LYS 30 HZ1 LYS 30 8.215 -9.467 -7.456 214 HZ2 LYS 30 HZ2 LYS 30 9.139 -10.822 -7.280 215 HZ3 LYS 30 HZ3 LYS 30 9.043 -10.074 -8.747 216 H VAL 31 H VAL 31 13.158 -5.327 -11.265 217 HA VAL 31 HA VAL 31 14.109 -2.772 -11.943 218 HB VAL 31 HB VAL 31 13.036 -4.903 -13.816 219 HG11 VAL 31 HG11 VAL 31 13.371 -2.726 -14.938 220 HG12 VAL 31 HG12 VAL 31 14.619 -3.873 -15.438 221 HG13 VAL 31 HG13 VAL 31 15.008 -2.610 -14.250 222 HG21 VAL 31 HG21 VAL 31 15.833 -4.493 -12.656 223 HG22 VAL 31 HG22 VAL 31 14.764 -5.892 -12.404 224 HG23 VAL 31 HG23 VAL 31 15.444 -5.590 -14.000 225 H LEU 32 H LEU 32 13.036 -0.966 -11.819 226 HA LEU 32 HA LEU 32 10.280 -0.568 -12.607 227 HB2 LEU 32 HB3 LEU 32 11.339 0.834 -10.903 228 HB3 LEU 32 HB2 LEU 32 12.585 1.332 -12.035 229 HG LEU 32 HG LEU 32 10.886 2.537 -13.375 230 HD11 LEU 32 HD11 LEU 32 8.603 2.887 -12.469 231 HD12 LEU 32 HD12 LEU 32 8.922 1.688 -11.199 232 HD13 LEU 32 HD13 LEU 32 8.868 1.197 -12.908 233 HD21 LEU 32 HD21 LEU 32 12.114 3.682 -11.569 234 HD22 LEU 32 HD22 LEU 32 10.478 4.339 -11.752 235 HD23 LEU 32 HD23 LEU 32 10.845 3.233 -10.409 236 H LEU 33 H LEU 33 13.406 0.433 -13.865 237 HA LEU 33 HA LEU 33 12.565 0.062 -16.684 238 HB2 LEU 33 HB3 LEU 33 13.806 2.572 -15.485 239 HB3 LEU 33 HB2 LEU 33 13.836 2.217 -17.209 240 HG LEU 33 HG LEU 33 11.269 2.522 -15.593 241 HD11 LEU 33 HD11 LEU 33 12.539 4.630 -15.649 242 HD12 LEU 33 HD12 LEU 33 11.081 4.737 -16.648 243 HD13 LEU 33 HD13 LEU 33 12.669 4.519 -17.418 244 HD21 LEU 33 HD21 LEU 33 11.749 2.396 -18.604 245 HD22 LEU 33 HD22 LEU 33 10.198 2.765 -17.822 246 HD23 LEU 33 HD23 LEU 33 10.922 1.168 -17.622 247 HN1 NH2 34 HN1 AMD 34 14.005 -1.218 -17.677 248 HN2 NH2 34 HN2 AMD 34 15.684 -1.403 -17.222 Start of MODEL 3 1 H1 GLU 1 H1 AMN 0 23.971 4.383 1.094 2 H2 GLU 1 H2 AMN 0 25.245 5.162 0.393 3 H3 GLU 1 H3 AMN 0 23.706 5.479 -0.110 4 HA GLU 1 HA GLU 1 24.828 4.130 -1.688 5 HB2 GLU 1 HB3 GLU 1 26.393 3.084 -0.111 6 HB3 GLU 1 HB2 GLU 1 25.076 2.163 0.619 7 HG2 GLU 1 HG3 GLU 1 26.393 0.802 -0.965 8 HG3 GLU 1 HG2 GLU 1 24.714 0.935 -1.473 9 H CYS 2 H CYS 2 23.207 3.781 -2.988 10 HA CYS 2 HA CYS 2 20.578 3.058 -2.155 11 HB2 CYS 2 HB3 CYS 2 20.039 3.143 -4.493 12 HB3 CYS 2 HB2 CYS 2 21.111 4.471 -4.097 13 H LYS 3 H LYS 3 19.391 1.174 -2.572 14 HA LYS 3 HA LYS 3 20.916 -1.298 -2.278 15 HB2 LYS 3 HB3 LYS 3 17.979 -0.544 -2.180 16 HB3 LYS 3 HB2 LYS 3 18.486 -2.223 -2.128 17 HG2 LYS 3 HG3 LYS 3 19.631 -0.229 -0.142 18 HG3 LYS 3 HG2 LYS 3 18.027 -0.913 0.077 19 HD2 LYS 3 HD3 LYS 3 19.563 -2.172 1.391 20 HD3 LYS 3 HD2 LYS 3 18.946 -3.195 0.091 21 HE2 LYS 3 HE3 LYS 3 21.038 -2.920 -1.159 22 HE3 LYS 3 HE2 LYS 3 21.642 -1.774 0.057 23 HZ1 LYS 3 HZ1 LYS 3 21.566 -3.544 1.655 24 HZ2 LYS 3 HZ2 LYS 3 22.519 -3.961 0.376 25 HZ3 LYS 3 HZ3 LYS 3 21.006 -4.601 0.521 26 H GLY 4 H GLY 4 21.540 -2.541 -3.918 27 HA2 GLY 4 HA2 GLY 4 20.835 -2.022 -6.643 28 HA3 GLY 4 HA3 GLY 4 21.816 -3.354 -6.014 29 H PHE 5 H PHE 5 20.352 -4.080 -8.066 30 HA PHE 5 HA PHE 5 17.688 -4.747 -7.755 31 HB2 PHE 5 HB3 PHE 5 18.967 -4.457 -9.844 32 HB3 PHE 5 HB2 PHE 5 19.980 -5.829 -9.439 33 HD1 PHE 5 HD1 PHE 5 16.236 -5.728 -9.056 34 HD2 PHE 5 HD2 PHE 5 19.612 -7.138 -11.356 35 HE1 PHE 5 HE1 PHE 5 14.755 -7.278 -10.292 36 HE2 PHE 5 HE2 PHE 5 18.111 -8.665 -12.604 37 HZ PHE 5 HZ PHE 5 15.694 -8.734 -12.058 38 H GLY 6 H GLY 6 16.795 -6.154 -6.422 39 HA2 GLY 6 HA2 GLY 6 16.285 -8.321 -5.713 40 HA3 GLY 6 HA3 GLY 6 17.956 -8.831 -5.946 41 H LYS 7 H LYS 7 18.375 -5.967 -4.368 42 HA LYS 7 HA LYS 7 18.876 -7.255 -1.810 43 HB2 LYS 7 HB3 LYS 7 19.113 -4.340 -2.640 44 HB3 LYS 7 HB2 LYS 7 19.750 -5.061 -1.169 45 HG2 LYS 7 HG3 LYS 7 20.680 -5.721 -3.996 46 HG3 LYS 7 HG2 LYS 7 21.489 -4.653 -2.848 47 HD2 LYS 7 HD3 LYS 7 21.784 -6.590 -1.280 48 HD3 LYS 7 HD2 LYS 7 21.015 -7.645 -2.480 49 HE2 LYS 7 HE3 LYS 7 23.385 -7.907 -2.698 50 HE3 LYS 7 HE2 LYS 7 22.797 -7.034 -4.122 51 HZ1 LYS 7 HZ1 LYS 7 24.791 -6.076 -3.243 52 HZ2 LYS 7 HZ2 LYS 7 24.085 -5.832 -1.772 53 HZ3 LYS 7 HZ3 LYS 7 23.543 -5.007 -3.092 54 H SER 8 H SER 8 17.687 -7.149 -0.003 55 HA SER 8 HA SER 8 14.967 -6.392 -0.015 56 HB2 SER 8 HB3 SER 8 15.937 -8.152 1.414 57 HB3 SER 8 HB2 SER 8 16.827 -6.920 2.337 58 HG SER 8 HG SER 8 14.004 -7.095 2.042 59 H CYS 9 H CYS 9 14.076 -4.468 0.117 60 HA CYS 9 HA CYS 9 15.699 -2.093 0.505 61 HB2 CYS 9 HB3 CYS 9 13.808 -0.941 -0.402 62 HB3 CYS 9 HB2 CYS 9 14.018 -2.408 -1.323 63 H VAL 10 H VAL 10 14.648 -0.207 1.552 64 HA VAL 10 HA VAL 10 13.532 -0.552 4.233 65 HB VAL 10 HB VAL 10 14.116 1.794 2.382 66 HG11 VAL 10 HG11 VAL 10 12.047 2.451 3.479 67 HG12 VAL 10 HG12 VAL 10 13.385 3.311 4.238 68 HG13 VAL 10 HG13 VAL 10 12.663 1.912 5.059 69 HG21 VAL 10 HG21 VAL 10 15.658 2.455 4.171 70 HG22 VAL 10 HG22 VAL 10 16.007 0.794 3.661 71 HG23 VAL 10 HG23 VAL 10 15.122 1.085 5.172 72 HA PRO 11 HA PRO 11 9.457 -0.975 2.256 73 HB2 PRO 11 HB3 PRO 11 7.838 -0.914 4.454 74 HB3 PRO 11 HB2 PRO 11 8.877 -2.304 4.037 75 HG2 PRO 11 HG3 PRO 11 9.475 -0.077 6.005 76 HG3 PRO 11 HG2 PRO 11 9.649 -1.845 6.244 77 HD2 PRO 11 HD3 PRO 11 11.751 -0.249 5.544 78 HD3 PRO 11 HD2 PRO 11 11.603 -1.924 4.932 79 H GLY 12 H GLY 12 9.771 0.960 1.173 80 HA2 GLY 12 HA2 GLY 12 7.779 2.859 1.245 81 HA3 GLY 12 HA3 GLY 12 9.085 3.556 2.216 82 H LYS 13 H LYS 13 10.325 1.473 -0.261 83 HA LYS 13 HA LYS 13 11.572 1.776 -2.037 84 HB2 LYS 13 HB3 LYS 13 9.508 3.885 -2.796 85 HB3 LYS 13 HB2 LYS 13 10.644 3.106 -3.899 86 HG2 LYS 13 HG3 LYS 13 9.592 0.941 -3.572 87 HG3 LYS 13 HG2 LYS 13 8.495 1.594 -2.343 88 HD2 LYS 13 HD3 LYS 13 7.444 3.071 -3.974 89 HD3 LYS 13 HD2 LYS 13 8.581 2.548 -5.232 90 HE2 LYS 13 HE3 LYS 13 7.734 0.236 -5.049 91 HE3 LYS 13 HE2 LYS 13 6.614 0.736 -3.766 92 HZ1 LYS 13 HZ1 LYS 13 6.603 1.714 -6.533 93 HZ2 LYS 13 HZ2 LYS 13 5.559 2.181 -5.344 94 HZ3 LYS 13 HZ3 LYS 13 5.546 0.624 -5.888 95 H ASN 14 H ASN 14 12.334 3.202 0.307 96 HA ASN 14 HA ASN 14 13.132 5.875 -0.380 97 HB2 ASN 14 HB3 ASN 14 12.406 5.143 1.889 98 HB3 ASN 14 HB2 ASN 14 13.866 4.162 2.029 99 HD21 ASN 14 HD21 ASN 14 15.467 5.119 3.188 100 HD22 ASN 14 HD22 ASN 14 15.737 6.843 3.317 101 H GLU 15 H GLU 15 14.626 2.766 -0.837 102 HA GLU 15 HA GLU 15 17.355 3.971 -0.846 103 HB2 GLU 15 HB3 GLU 15 16.398 1.193 -0.105 104 HB3 GLU 15 HB2 GLU 15 18.093 1.621 -0.351 105 HG2 GLU 15 HG3 GLU 15 16.271 2.905 1.720 106 HG3 GLU 15 HG2 GLU 15 17.479 1.653 2.030 107 H CYS 16 H CYS 16 15.219 1.774 -2.745 108 HA CYS 16 HA CYS 16 17.185 0.519 -4.192 109 HB2 CYS 16 HB3 CYS 16 14.411 1.276 -5.137 110 HB3 CYS 16 HB2 CYS 16 15.464 0.080 -5.889 111 H CYS 17 H CYS 17 18.431 0.868 -5.943 112 HA CYS 17 HA CYS 17 19.215 3.480 -6.612 113 HB2 CYS 17 HB3 CYS 17 19.764 0.905 -8.127 114 HB3 CYS 17 HB2 CYS 17 20.674 2.391 -8.265 115 H SER 18 H SER 18 19.636 4.068 -9.022 116 HA SER 18 HA SER 18 17.200 4.808 -10.244 117 HB2 SER 18 HB3 SER 18 18.643 5.602 -12.088 118 HB3 SER 18 HB2 SER 18 19.178 6.141 -10.488 119 HG SER 18 HG SER 18 20.733 4.455 -10.540 120 H GLY 19 H GLY 19 15.814 3.547 -11.194 121 HA2 GLY 19 HA2 GLY 19 15.045 2.336 -13.066 122 HA3 GLY 19 HA3 GLY 19 16.622 1.556 -13.236 123 H LEU 20 H LEU 20 15.092 1.902 -10.080 124 HA LEU 20 HA LEU 20 14.054 -0.865 -10.047 125 HB2 LEU 20 HB3 LEU 20 15.962 0.324 -8.003 126 HB3 LEU 20 HB2 LEU 20 15.112 -1.201 -7.812 127 HG LEU 20 HG LEU 20 17.111 -0.691 -10.045 128 HD11 LEU 20 HD11 LEU 20 17.582 -2.087 -7.384 129 HD12 LEU 20 HD12 LEU 20 18.143 -0.461 -7.795 130 HD13 LEU 20 HD13 LEU 20 18.757 -1.851 -8.703 131 HD21 LEU 20 HD21 LEU 20 15.996 -3.290 -8.885 132 HD22 LEU 20 HD22 LEU 20 17.160 -3.139 -10.222 133 HD23 LEU 20 HD23 LEU 20 15.509 -2.569 -10.428 134 H THR 21 H THR 21 12.692 -1.253 -8.229 135 HA THR 21 HA THR 21 11.627 0.891 -6.620 136 HB THR 21 HB THR 21 10.493 1.370 -8.750 137 HG1 THR 21 HG1 THR 21 8.804 0.214 -6.803 138 HG21 THR 21 HG21 THR 21 9.141 -1.360 -8.568 139 HG22 THR 21 HG22 THR 21 10.409 -0.943 -9.741 140 HG23 THR 21 HG23 THR 21 8.858 -0.092 -9.769 141 H CYS 22 H CYS 22 10.914 -0.013 -4.719 142 HA CYS 22 HA CYS 22 11.380 -2.815 -4.461 143 HB2 CYS 22 HB3 CYS 22 11.916 -1.058 -2.739 144 HB3 CYS 22 HB2 CYS 22 10.196 -1.057 -2.310 145 H SER 23 H SER 23 10.063 -4.441 -4.692 146 HA SER 23 HA SER 23 7.328 -4.428 -5.280 147 HB2 SER 23 HB3 SER 23 8.994 -6.223 -5.727 148 HB3 SER 23 HB2 SER 23 9.060 -6.592 -4.001 149 HG SER 23 HG SER 23 7.627 -7.956 -5.152 150 H ASN 24 H ASN 24 5.496 -4.969 -4.058 151 HA ASN 24 HA ASN 24 5.476 -4.400 -1.194 152 HB2 ASN 24 HB3 ASN 24 3.319 -5.397 -3.103 153 HB3 ASN 24 HB2 ASN 24 3.064 -4.959 -1.411 154 HD21 ASN 24 HD21 ASN 24 3.783 -2.660 -0.785 155 HD22 ASN 24 HD22 ASN 24 3.476 -1.395 -1.955 156 H LYS 25 H LYS 25 5.047 -7.261 -3.334 157 HA LYS 25 HA LYS 25 4.446 -9.115 -1.256 158 HB2 LYS 25 HB3 LYS 25 5.222 -9.373 -4.185 159 HB3 LYS 25 HB2 LYS 25 5.005 -10.781 -3.153 160 HG2 LYS 25 HG3 LYS 25 2.999 -10.412 -4.396 161 HG3 LYS 25 HG2 LYS 25 2.682 -10.157 -2.679 162 HD2 LYS 25 HD3 LYS 25 2.610 -7.743 -2.987 163 HD3 LYS 25 HD2 LYS 25 3.165 -7.898 -4.674 164 HE2 LYS 25 HE3 LYS 25 1.099 -9.151 -5.218 165 HE3 LYS 25 HE2 LYS 25 0.561 -8.998 -3.533 166 HZ1 LYS 25 HZ1 LYS 25 0.556 -6.630 -3.816 167 HZ2 LYS 25 HZ2 LYS 25 -0.425 -7.346 -4.932 168 HZ3 LYS 25 HZ3 LYS 25 1.054 -6.772 -5.382 169 H HIS 26 H HIS 26 7.332 -9.110 -3.425 170 HA HIS 26 HA HIS 26 8.854 -10.890 -1.832 171 HB2 HIS 26 HB3 HIS 26 9.695 -8.904 -3.981 172 HB3 HIS 26 HB2 HIS 26 10.726 -10.163 -3.304 173 HD1 HIS 26 HD1 HIS 26 10.476 -12.566 -4.327 174 HD2 HIS 26 HD2 HIS 26 7.513 -9.821 -5.483 175 HE1 HIS 26 HE1 HIS 26 9.134 -13.676 -6.193 176 H LYS 27 H LYS 27 8.524 -7.390 -1.738 177 HA LYS 27 HA LYS 27 9.572 -5.723 -0.777 178 HB2 LYS 27 HB3 LYS 27 8.516 -6.962 1.176 179 HB3 LYS 27 HB2 LYS 27 10.121 -7.556 1.566 180 HG2 LYS 27 HG3 LYS 27 9.566 -5.617 2.933 181 HG3 LYS 27 HG2 LYS 27 10.923 -5.231 1.887 182 HD2 LYS 27 HD3 LYS 27 9.374 -3.357 2.047 183 HD3 LYS 27 HD2 LYS 27 9.439 -3.939 0.392 184 HE2 LYS 27 HE3 LYS 27 7.324 -5.185 0.733 185 HE3 LYS 27 HE2 LYS 27 7.255 -4.595 2.407 186 HZ1 LYS 27 HZ1 LYS 27 5.916 -3.283 0.942 187 HZ2 LYS 27 HZ2 LYS 27 7.216 -2.927 -0.009 188 HZ3 LYS 27 HZ3 LYS 27 7.152 -2.372 1.543 189 H TRP 28 H TRP 28 11.036 -6.563 -2.673 190 HA TRP 28 HA TRP 28 13.637 -5.661 -1.757 191 HB2 TRP 28 HB3 TRP 28 14.938 -7.208 -3.055 192 HB3 TRP 28 HB2 TRP 28 14.040 -8.024 -1.804 193 HD1 TRP 28 HD1 TRP 28 12.217 -7.457 -5.160 194 HE1 TRP 28 HE1 TRP 28 11.973 -9.656 -6.353 195 HE3 TRP 28 HE3 TRP 28 15.214 -10.269 -2.158 196 HZ2 TRP 28 HZ2 TRP 28 12.922 -12.399 -6.034 197 HZ3 TRP 28 HZ3 TRP 28 15.541 -12.694 -2.626 198 HH2 TRP 28 HH2 TRP 28 14.394 -13.762 -4.554 199 H CYS 29 H CYS 29 14.998 -5.005 -3.628 200 HA CYS 29 HA CYS 29 13.512 -3.186 -5.308 201 HB2 CYS 29 HB3 CYS 29 16.420 -4.029 -5.329 202 HB3 CYS 29 HB2 CYS 29 15.752 -2.649 -6.190 203 H LYS 30 H LYS 30 12.748 -3.507 -7.315 204 HA LYS 30 HA LYS 30 13.972 -5.473 -9.100 205 HB2 LYS 30 HB3 LYS 30 11.766 -6.371 -9.806 206 HB3 LYS 30 HB2 LYS 30 12.308 -6.892 -8.215 207 HG2 LYS 30 HG3 LYS 30 10.713 -5.547 -7.092 208 HG3 LYS 30 HG2 LYS 30 10.383 -4.563 -8.520 209 HD2 LYS 30 HD3 LYS 30 8.550 -6.182 -7.994 210 HD3 LYS 30 HD2 LYS 30 9.209 -6.310 -9.618 211 HE2 LYS 30 HE3 LYS 30 8.799 -8.526 -8.726 212 HE3 LYS 30 HE2 LYS 30 10.535 -8.284 -8.969 213 HZ1 LYS 30 HZ1 LYS 30 10.065 -9.337 -6.894 214 HZ2 LYS 30 HZ2 LYS 30 9.115 -8.079 -6.410 215 HZ3 LYS 30 HZ3 LYS 30 10.733 -7.852 -6.631 216 H VAL 31 H VAL 31 13.434 -5.177 -11.302 217 HA VAL 31 HA VAL 31 14.064 -2.610 -11.973 218 HB VAL 31 HB VAL 31 12.912 -4.660 -13.888 219 HG11 VAL 31 HG11 VAL 31 14.928 -2.395 -14.272 220 HG12 VAL 31 HG12 VAL 31 13.249 -2.397 -14.851 221 HG13 VAL 31 HG13 VAL 31 14.411 -3.551 -15.518 222 HG21 VAL 31 HG21 VAL 31 15.758 -4.366 -12.812 223 HG22 VAL 31 HG22 VAL 31 14.678 -5.767 -12.618 224 HG23 VAL 31 HG23 VAL 31 15.304 -5.361 -14.214 225 H LEU 32 H LEU 32 13.033 -0.798 -12.004 226 HA LEU 32 HA LEU 32 10.213 -0.410 -12.040 227 HB2 LEU 32 HB3 LEU 32 11.693 1.181 -10.979 228 HB3 LEU 32 HB2 LEU 32 12.611 1.400 -12.453 229 HG LEU 32 HG LEU 32 10.618 2.519 -13.490 230 HD11 LEU 32 HD11 LEU 32 9.386 2.261 -10.708 231 HD12 LEU 32 HD12 LEU 32 8.802 1.453 -12.180 232 HD13 LEU 32 HD13 LEU 32 8.732 3.215 -12.055 233 HD21 LEU 32 HD21 LEU 32 10.802 4.592 -12.178 234 HD22 LEU 32 HD22 LEU 32 11.529 3.691 -10.829 235 HD23 LEU 32 HD23 LEU 32 12.386 3.825 -12.380 236 H LEU 33 H LEU 33 12.703 0.228 -14.443 237 HA LEU 33 HA LEU 33 10.741 0.887 -16.517 238 HB2 LEU 33 HB3 LEU 33 13.784 0.881 -16.526 239 HB3 LEU 33 HB2 LEU 33 12.765 1.460 -17.845 240 HG LEU 33 HG LEU 33 12.885 2.665 -15.036 241 HD11 LEU 33 HD11 LEU 33 14.019 4.544 -16.137 242 HD12 LEU 33 HD12 LEU 33 13.956 3.692 -17.696 243 HD13 LEU 33 HD13 LEU 33 14.930 3.041 -16.358 244 HD21 LEU 33 HD21 LEU 33 11.359 3.595 -17.512 245 HD22 LEU 33 HD22 LEU 33 11.566 4.535 -16.018 246 HD23 LEU 33 HD23 LEU 33 10.647 3.030 -15.983 247 HN1 NH2 34 HN1 AMD 34 9.688 -0.950 -17.195 248 HN2 NH2 34 HN2 AMD 34 10.499 -2.314 -17.931 Start of MODEL 4 1 H1 GLU 1 H1 AMN 0 24.166 3.924 1.160 2 H2 GLU 1 H2 AMN 0 25.313 4.911 0.503 3 H3 GLU 1 H3 AMN 0 23.715 5.181 0.193 4 HA GLU 1 HA GLU 1 24.770 4.213 -1.684 5 HB2 GLU 1 HB3 GLU 1 26.538 3.046 -0.428 6 HB3 GLU 1 HB2 GLU 1 25.353 1.901 0.207 7 HG2 GLU 1 HG3 GLU 1 26.634 0.969 -1.692 8 HG3 GLU 1 HG2 GLU 1 24.910 1.036 -2.040 9 H CYS 2 H CYS 2 23.169 3.765 -2.983 10 HA CYS 2 HA CYS 2 20.604 2.964 -2.097 11 HB2 CYS 2 HB3 CYS 2 19.978 3.090 -4.407 12 HB3 CYS 2 HB2 CYS 2 21.054 4.417 -4.023 13 H LYS 3 H LYS 3 19.414 1.096 -2.444 14 HA LYS 3 HA LYS 3 20.911 -1.396 -2.255 15 HB2 LYS 3 HB3 LYS 3 17.971 -0.640 -2.140 16 HB3 LYS 3 HB2 LYS 3 18.511 -2.320 -2.097 17 HG2 LYS 3 HG3 LYS 3 19.424 -0.203 -0.109 18 HG3 LYS 3 HG2 LYS 3 18.040 -1.273 0.142 19 HD2 LYS 3 HD3 LYS 3 19.527 -3.250 -0.028 20 HD3 LYS 3 HD2 LYS 3 20.934 -2.185 -0.198 21 HE2 LYS 3 HE3 LYS 3 19.027 -2.217 2.178 22 HE3 LYS 3 HE2 LYS 3 20.602 -3.026 2.124 23 HZ1 LYS 3 HZ1 LYS 3 20.165 -0.138 1.865 24 HZ2 LYS 3 HZ2 LYS 3 21.627 -0.898 1.812 25 HZ3 LYS 3 HZ3 LYS 3 20.738 -0.915 3.202 26 H GLY 4 H GLY 4 21.573 -2.503 -3.945 27 HA2 GLY 4 HA2 GLY 4 20.755 -1.998 -6.649 28 HA3 GLY 4 HA3 GLY 4 21.860 -3.250 -6.067 29 H PHE 5 H PHE 5 20.384 -4.053 -8.074 30 HA PHE 5 HA PHE 5 17.774 -4.836 -7.767 31 HB2 PHE 5 HB3 PHE 5 19.026 -4.539 -9.853 32 HB3 PHE 5 HB2 PHE 5 20.106 -5.859 -9.436 33 HD1 PHE 5 HD1 PHE 5 16.356 -5.476 -9.393 34 HD2 PHE 5 HD2 PHE 5 19.771 -7.663 -10.864 35 HE1 PHE 5 HE1 PHE 5 14.839 -7.110 -10.489 36 HE2 PHE 5 HE2 PHE 5 18.250 -9.276 -11.977 37 HZ PHE 5 HZ PHE 5 15.796 -8.994 -11.778 38 H GLY 6 H GLY 6 16.854 -6.308 -6.516 39 HA2 GLY 6 HA2 GLY 6 16.377 -8.312 -5.574 40 HA3 GLY 6 HA3 GLY 6 17.899 -8.985 -6.165 41 H LYS 7 H LYS 7 17.601 -6.029 -4.155 42 HA LYS 7 HA LYS 7 18.616 -7.513 -1.774 43 HB2 LYS 7 HB3 LYS 7 19.287 -4.681 -2.657 44 HB3 LYS 7 HB2 LYS 7 19.687 -5.400 -1.097 45 HG2 LYS 7 HG3 LYS 7 20.985 -7.196 -2.269 46 HG3 LYS 7 HG2 LYS 7 20.703 -6.350 -3.809 47 HD2 LYS 7 HD3 LYS 7 21.821 -4.339 -2.919 48 HD3 LYS 7 HD2 LYS 7 22.062 -5.146 -1.354 49 HE2 LYS 7 HE3 LYS 7 23.476 -6.848 -2.398 50 HE3 LYS 7 HE2 LYS 7 23.196 -6.151 -4.002 51 HZ1 LYS 7 HZ1 LYS 7 24.268 -4.153 -3.250 52 HZ2 LYS 7 HZ2 LYS 7 25.274 -5.449 -3.078 53 HZ3 LYS 7 HZ3 LYS 7 24.526 -4.804 -1.757 54 H SER 8 H SER 8 17.698 -7.109 0.126 55 HA SER 8 HA SER 8 14.956 -6.375 0.146 56 HB2 SER 8 HB3 SER 8 15.965 -8.066 1.635 57 HB3 SER 8 HB2 SER 8 16.871 -6.791 2.477 58 HG SER 8 HG SER 8 14.839 -5.847 3.001 59 H CYS 9 H CYS 9 14.093 -4.433 0.156 60 HA CYS 9 HA CYS 9 15.714 -2.049 0.556 61 HB2 CYS 9 HB3 CYS 9 13.875 -0.887 -0.394 62 HB3 CYS 9 HB2 CYS 9 14.063 -2.368 -1.302 63 H VAL 10 H VAL 10 14.710 -0.191 1.636 64 HA VAL 10 HA VAL 10 13.525 -0.575 4.279 65 HB VAL 10 HB VAL 10 14.156 1.816 2.500 66 HG11 VAL 10 HG11 VAL 10 12.067 2.401 3.628 67 HG12 VAL 10 HG12 VAL 10 13.404 3.279 4.370 68 HG13 VAL 10 HG13 VAL 10 12.718 1.857 5.189 69 HG21 VAL 10 HG21 VAL 10 15.693 2.402 4.324 70 HG22 VAL 10 HG22 VAL 10 16.034 0.757 3.758 71 HG23 VAL 10 HG23 VAL 10 15.141 1.002 5.272 72 HA PRO 11 HA PRO 11 9.553 -1.047 2.151 73 HB2 PRO 11 HB3 PRO 11 7.845 -1.078 4.290 74 HB3 PRO 11 HB2 PRO 11 8.924 -2.433 3.859 75 HG2 PRO 11 HG3 PRO 11 9.405 -0.270 5.926 76 HG3 PRO 11 HG2 PRO 11 9.619 -2.041 6.104 77 HD2 PRO 11 HD3 PRO 11 11.699 -0.366 5.541 78 HD3 PRO 11 HD2 PRO 11 11.616 -2.016 4.853 79 H GLY 12 H GLY 12 9.722 0.865 1.079 80 HA2 GLY 12 HA2 GLY 12 7.724 2.709 1.090 81 HA3 GLY 12 HA3 GLY 12 8.936 3.439 2.152 82 H LYS 13 H LYS 13 10.442 1.439 -0.225 83 HA LYS 13 HA LYS 13 11.678 1.742 -1.991 84 HB2 LYS 13 HB3 LYS 13 9.648 3.867 -2.801 85 HB3 LYS 13 HB2 LYS 13 10.788 3.062 -3.877 86 HG2 LYS 13 HG3 LYS 13 9.677 0.940 -3.631 87 HG3 LYS 13 HG2 LYS 13 8.621 1.556 -2.349 88 HD2 LYS 13 HD3 LYS 13 7.544 3.110 -3.902 89 HD3 LYS 13 HD2 LYS 13 8.658 2.640 -5.191 90 HE2 LYS 13 HE3 LYS 13 6.528 1.530 -5.524 91 HE3 LYS 13 HE2 LYS 13 7.765 0.329 -5.126 92 HZ1 LYS 13 HZ1 LYS 13 5.732 -0.058 -3.950 93 HZ2 LYS 13 HZ2 LYS 13 5.785 1.441 -3.263 94 HZ3 LYS 13 HZ3 LYS 13 6.933 0.319 -2.885 95 H ASN 14 H ASN 14 12.284 3.273 0.412 96 HA ASN 14 HA ASN 14 13.161 5.893 -0.371 97 HB2 ASN 14 HB3 ASN 14 13.699 4.309 2.172 98 HB3 ASN 14 HB2 ASN 14 14.036 6.020 1.937 99 HD21 ASN 14 HD21 ASN 14 12.134 7.454 1.321 100 HD22 ASN 14 HD22 ASN 14 10.583 7.077 2.038 101 H GLU 15 H GLU 15 14.620 2.797 -0.722 102 HA GLU 15 HA GLU 15 17.367 3.967 -0.697 103 HB2 GLU 15 HB3 GLU 15 16.398 1.204 0.084 104 HB3 GLU 15 HB2 GLU 15 18.091 1.619 -0.182 105 HG2 GLU 15 HG3 GLU 15 16.300 2.930 1.896 106 HG3 GLU 15 HG2 GLU 15 17.513 1.681 2.202 107 H CYS 16 H CYS 16 15.200 1.780 -2.584 108 HA CYS 16 HA CYS 16 17.167 0.548 -4.082 109 HB2 CYS 16 HB3 CYS 16 14.371 1.309 -4.968 110 HB3 CYS 16 HB2 CYS 16 15.418 0.128 -5.753 111 H CYS 17 H CYS 17 18.326 0.936 -5.893 112 HA CYS 17 HA CYS 17 19.133 3.554 -6.454 113 HB2 CYS 17 HB3 CYS 17 19.527 1.058 -8.137 114 HB3 CYS 17 HB2 CYS 17 20.468 2.532 -8.252 115 H SER 18 H SER 18 19.409 4.408 -8.734 116 HA SER 18 HA SER 18 16.849 5.167 -9.760 117 HB2 SER 18 HB3 SER 18 18.193 6.463 -11.397 118 HB3 SER 18 HB2 SER 18 18.623 6.760 -9.706 119 HG SER 18 HG SER 18 20.394 5.337 -9.995 120 H GLY 19 H GLY 19 15.681 3.606 -10.653 121 HA2 GLY 19 HA2 GLY 19 15.335 2.789 -13.088 122 HA3 GLY 19 HA3 GLY 19 16.776 1.813 -12.745 123 H LEU 20 H LEU 20 16.101 1.542 -9.896 124 HA LEU 20 HA LEU 20 14.289 -0.762 -10.047 125 HB2 LEU 20 HB3 LEU 20 16.061 0.309 -7.824 126 HB3 LEU 20 HB2 LEU 20 15.226 -1.245 -7.814 127 HG LEU 20 HG LEU 20 17.396 -0.469 -9.811 128 HD11 LEU 20 HD11 LEU 20 17.633 -2.236 -7.355 129 HD12 LEU 20 HD12 LEU 20 18.203 -0.562 -7.459 130 HD13 LEU 20 HD13 LEU 20 18.922 -1.796 -8.506 131 HD21 LEU 20 HD21 LEU 20 15.912 -2.223 -10.671 132 HD22 LEU 20 HD22 LEU 20 16.113 -3.162 -9.174 133 HD23 LEU 20 HD23 LEU 20 17.488 -2.901 -10.274 134 H THR 21 H THR 21 12.725 -1.120 -8.527 135 HA THR 21 HA THR 21 11.785 0.966 -6.703 136 HB THR 21 HB THR 21 10.558 1.398 -8.819 137 HG1 THR 21 HG1 THR 21 8.989 0.299 -6.739 138 HG21 THR 21 HG21 THR 21 9.249 -1.339 -8.460 139 HG22 THR 21 HG22 THR 21 10.436 -0.949 -9.724 140 HG23 THR 21 HG23 THR 21 8.873 -0.121 -9.682 141 H CYS 22 H CYS 22 11.045 0.051 -4.792 142 HA CYS 22 HA CYS 22 11.511 -2.768 -4.503 143 HB2 CYS 22 HB3 CYS 22 11.968 -0.981 -2.755 144 HB3 CYS 22 HB2 CYS 22 10.237 -1.010 -2.402 145 H SER 23 H SER 23 10.149 -4.372 -4.844 146 HA SER 23 HA SER 23 7.356 -4.220 -5.332 147 HB2 SER 23 HB3 SER 23 8.898 -6.070 -5.989 148 HB3 SER 23 HB2 SER 23 9.068 -6.516 -4.285 149 HG SER 23 HG SER 23 6.791 -6.859 -4.265 150 H ASN 24 H ASN 24 5.606 -4.445 -3.961 151 HA ASN 24 HA ASN 24 5.932 -4.055 -1.100 152 HB2 ASN 24 HB3 ASN 24 3.477 -4.654 -2.804 153 HB3 ASN 24 HB2 ASN 24 3.458 -4.231 -1.090 154 HD21 ASN 24 HD21 ASN 24 4.533 -2.087 -0.489 155 HD22 ASN 24 HD22 ASN 24 4.343 -0.756 -1.609 156 H LYS 25 H LYS 25 4.897 -6.749 -3.256 157 HA LYS 25 HA LYS 25 4.322 -8.580 -1.153 158 HB2 LYS 25 HB3 LYS 25 3.424 -8.459 -3.552 159 HB3 LYS 25 HB2 LYS 25 4.887 -9.269 -4.068 160 HG2 LYS 25 HG3 LYS 25 2.810 -10.299 -2.076 161 HG3 LYS 25 HG2 LYS 25 2.938 -10.775 -3.762 162 HD2 LYS 25 HD3 LYS 25 4.939 -11.424 -1.563 163 HD3 LYS 25 HD2 LYS 25 3.792 -12.526 -2.319 164 HE2 LYS 25 HE3 LYS 25 4.906 -12.272 -4.494 165 HE3 LYS 25 HE2 LYS 25 6.043 -11.109 -3.791 166 HZ1 LYS 25 HZ1 LYS 25 5.774 -13.915 -2.994 167 HZ2 LYS 25 HZ2 LYS 25 6.827 -12.824 -2.343 168 HZ3 LYS 25 HZ3 LYS 25 6.983 -13.280 -3.921 169 H HIS 26 H HIS 26 6.952 -8.741 -3.641 170 HA HIS 26 HA HIS 26 8.413 -10.780 -2.342 171 HB2 HIS 26 HB3 HIS 26 9.344 -8.751 -4.410 172 HB3 HIS 26 HB2 HIS 26 10.181 -10.233 -3.967 173 HD1 HIS 26 HD1 HIS 26 6.867 -9.179 -5.675 174 HD2 HIS 26 HD2 HIS 26 9.464 -12.446 -5.193 175 HE1 HIS 26 HE1 HIS 26 6.051 -11.003 -7.263 176 H LYS 27 H LYS 27 8.461 -7.300 -1.911 177 HA LYS 27 HA LYS 27 9.633 -5.873 -0.719 178 HB2 LYS 27 HB3 LYS 27 8.498 -7.280 0.998 179 HB3 LYS 27 HB2 LYS 27 10.001 -8.158 1.236 180 HG2 LYS 27 HG3 LYS 27 9.543 -6.395 2.944 181 HG3 LYS 27 HG2 LYS 27 11.093 -6.203 2.143 182 HD2 LYS 27 HD3 LYS 27 9.962 -4.048 2.480 183 HD3 LYS 27 HD2 LYS 27 10.233 -4.384 0.774 184 HE2 LYS 27 HE3 LYS 27 7.866 -5.152 0.561 185 HE3 LYS 27 HE2 LYS 27 7.601 -4.726 2.264 186 HZ1 LYS 27 HZ1 LYS 27 8.156 -2.469 1.706 187 HZ2 LYS 27 HZ2 LYS 27 6.896 -2.999 0.782 188 HZ3 LYS 27 HZ3 LYS 27 8.405 -2.877 0.128 189 H TRP 28 H TRP 28 11.042 -6.493 -2.769 190 HA TRP 28 HA TRP 28 13.668 -5.804 -1.790 191 HB2 TRP 28 HB3 TRP 28 14.952 -7.349 -3.046 192 HB3 TRP 28 HB2 TRP 28 13.892 -8.241 -1.994 193 HD1 TRP 28 HD1 TRP 28 11.787 -7.531 -4.916 194 HE1 TRP 28 HE1 TRP 28 11.813 -9.408 -6.597 195 HE3 TRP 28 HE3 TRP 28 15.858 -10.071 -3.162 196 HZ2 TRP 28 HZ2 TRP 28 13.424 -11.763 -7.165 197 HZ3 TRP 28 HZ3 TRP 28 16.628 -12.129 -4.309 198 HH2 TRP 28 HH2 TRP 28 15.422 -12.982 -6.306 199 H CYS 29 H CYS 29 15.052 -4.941 -3.547 200 HA CYS 29 HA CYS 29 13.603 -3.144 -5.264 201 HB2 CYS 29 HB3 CYS 29 16.532 -3.910 -5.213 202 HB3 CYS 29 HB2 CYS 29 15.835 -2.518 -6.041 203 H LYS 30 H LYS 30 12.972 -3.405 -7.328 204 HA LYS 30 HA LYS 30 14.253 -5.381 -9.055 205 HB2 LYS 30 HB3 LYS 30 12.140 -6.359 -9.801 206 HB3 LYS 30 HB2 LYS 30 12.556 -6.757 -8.139 207 HG2 LYS 30 HG3 LYS 30 10.875 -5.227 -7.275 208 HG3 LYS 30 HG2 LYS 30 10.576 -4.556 -8.886 209 HD2 LYS 30 HD3 LYS 30 8.793 -6.110 -8.276 210 HD3 LYS 30 HD2 LYS 30 9.700 -6.702 -9.669 211 HE2 LYS 30 HE3 LYS 30 10.991 -8.224 -8.178 212 HE3 LYS 30 HE2 LYS 30 10.046 -7.650 -6.791 213 HZ1 LYS 30 HZ1 LYS 30 8.088 -8.478 -7.879 214 HZ2 LYS 30 HZ2 LYS 30 9.192 -9.685 -7.676 215 HZ3 LYS 30 HZ3 LYS 30 8.976 -9.007 -9.164 216 H VAL 31 H VAL 31 13.992 -5.016 -11.243 217 HA VAL 31 HA VAL 31 14.095 -2.295 -11.913 218 HB VAL 31 HB VAL 31 13.693 -4.559 -13.901 219 HG11 VAL 31 HG11 VAL 31 15.225 -1.919 -14.055 220 HG12 VAL 31 HG12 VAL 31 13.636 -2.219 -14.786 221 HG13 VAL 31 HG13 VAL 31 15.053 -3.112 -15.361 222 HG21 VAL 31 HG21 VAL 31 16.303 -3.679 -12.582 223 HG22 VAL 31 HG22 VAL 31 15.525 -5.271 -12.434 224 HG23 VAL 31 HG23 VAL 31 16.172 -4.754 -13.988 225 H LEU 32 H LEU 32 12.568 -0.872 -12.140 226 HA LEU 32 HA LEU 32 9.807 -1.250 -12.120 227 HB2 LEU 32 HB3 LEU 32 10.802 0.831 -11.462 228 HB3 LEU 32 HB2 LEU 32 11.618 1.004 -12.998 229 HG LEU 32 HG LEU 32 9.416 1.389 -14.123 230 HD11 LEU 32 HD11 LEU 32 7.405 1.833 -12.796 231 HD12 LEU 32 HD12 LEU 32 8.262 1.428 -11.297 232 HD13 LEU 32 HD13 LEU 32 7.936 0.171 -12.512 233 HD21 LEU 32 HD21 LEU 32 9.071 3.650 -13.218 234 HD22 LEU 32 HD22 LEU 32 10.003 3.225 -11.764 235 HD23 LEU 32 HD23 LEU 32 10.796 3.273 -13.354 236 H LEU 33 H LEU 33 11.948 -0.647 -14.838 237 HA LEU 33 HA LEU 33 9.889 -0.889 -16.888 238 HB2 LEU 33 HB3 LEU 33 12.930 -0.827 -17.068 239 HB3 LEU 33 HB2 LEU 33 11.831 -0.796 -18.447 240 HG LEU 33 HG LEU 33 12.054 1.363 -16.295 241 HD11 LEU 33 HD11 LEU 33 13.002 2.727 -18.102 242 HD12 LEU 33 HD12 LEU 33 12.868 1.361 -19.231 243 HD13 LEU 33 HD13 LEU 33 13.973 1.268 -17.842 244 HD21 LEU 33 HD21 LEU 33 10.571 2.704 -17.790 245 HD22 LEU 33 HD22 LEU 33 9.741 1.311 -17.095 246 HD23 LEU 33 HD23 LEU 33 10.293 1.258 -18.786 247 HN1 NH2 34 HN1 AMD 34 9.021 -2.783 -17.493 248 HN2 NH2 34 HN2 AMD 34 9.833 -4.333 -17.467 Start of MODEL 5 1 H1 GLU 1 H1 AMN 0 24.350 3.571 1.097 2 H2 GLU 1 H2 AMN 0 25.558 4.466 0.417 3 H3 GLU 1 H3 AMN 0 23.981 4.855 0.129 4 HA GLU 1 HA GLU 1 24.930 3.800 -1.758 5 HB2 GLU 1 HB3 GLU 1 26.627 2.512 -0.524 6 HB3 GLU 1 HB2 GLU 1 25.372 1.465 0.144 7 HG2 GLU 1 HG3 GLU 1 26.547 0.421 -1.764 8 HG3 GLU 1 HG2 GLU 1 24.827 0.612 -2.083 9 H CYS 2 H CYS 2 23.252 3.525 -3.005 10 HA CYS 2 HA CYS 2 20.658 2.832 -2.102 11 HB2 CYS 2 HB3 CYS 2 20.027 3.008 -4.417 12 HB3 CYS 2 HB2 CYS 2 21.150 4.290 -4.011 13 H LYS 3 H LYS 3 19.380 1.018 -2.490 14 HA LYS 3 HA LYS 3 20.788 -1.535 -2.331 15 HB2 LYS 3 HB3 LYS 3 17.893 -0.648 -2.142 16 HB3 LYS 3 HB2 LYS 3 18.344 -2.353 -2.137 17 HG2 LYS 3 HG3 LYS 3 19.469 -0.338 -0.144 18 HG3 LYS 3 HG2 LYS 3 17.986 -1.258 0.131 19 HD2 LYS 3 HD3 LYS 3 19.222 -3.369 -0.013 20 HD3 LYS 3 HD2 LYS 3 20.738 -2.487 -0.322 21 HE2 LYS 3 HE3 LYS 3 20.495 -1.334 1.859 22 HE3 LYS 3 HE2 LYS 3 18.993 -2.229 2.163 23 HZ1 LYS 3 HZ1 LYS 3 20.860 -3.238 3.237 24 HZ2 LYS 3 HZ2 LYS 3 21.653 -3.417 1.802 25 HZ3 LYS 3 HZ3 LYS 3 20.258 -4.251 2.082 26 H GLY 4 H GLY 4 21.438 -2.569 -4.096 27 HA2 GLY 4 HA2 GLY 4 20.542 -1.974 -6.753 28 HA3 GLY 4 HA3 GLY 4 21.659 -3.248 -6.247 29 H PHE 5 H PHE 5 20.228 -4.118 -8.207 30 HA PHE 5 HA PHE 5 17.603 -4.913 -7.857 31 HB2 PHE 5 HB3 PHE 5 18.781 -4.625 -9.982 32 HB3 PHE 5 HB2 PHE 5 19.903 -5.920 -9.581 33 HD1 PHE 5 HD1 PHE 5 16.175 -5.410 -9.625 34 HD2 PHE 5 HD2 PHE 5 19.502 -7.946 -10.670 35 HE1 PHE 5 HE1 PHE 5 14.597 -7.107 -10.531 36 HE2 PHE 5 HE2 PHE 5 17.926 -9.623 -11.598 37 HZ PHE 5 HZ PHE 5 15.486 -9.199 -11.513 38 H GLY 6 H GLY 6 16.785 -6.319 -6.482 39 HA2 GLY 6 HA2 GLY 6 16.322 -8.356 -5.569 40 HA3 GLY 6 HA3 GLY 6 17.871 -8.998 -6.122 41 H LYS 7 H LYS 7 17.729 -5.970 -4.266 42 HA LYS 7 HA LYS 7 18.746 -7.367 -1.831 43 HB2 LYS 7 HB3 LYS 7 19.509 -4.661 -2.980 44 HB3 LYS 7 HB2 LYS 7 19.767 -5.116 -1.311 45 HG2 LYS 7 HG3 LYS 7 21.812 -5.407 -2.464 46 HG3 LYS 7 HG2 LYS 7 21.208 -6.980 -1.940 47 HD2 LYS 7 HD3 LYS 7 20.554 -7.546 -4.219 48 HD3 LYS 7 HD2 LYS 7 20.878 -5.891 -4.763 49 HE2 LYS 7 HE3 LYS 7 22.699 -7.298 -5.465 50 HE3 LYS 7 HE2 LYS 7 23.294 -6.237 -4.177 51 HZ1 LYS 7 HZ1 LYS 7 24.015 -8.485 -3.886 52 HZ2 LYS 7 HZ2 LYS 7 22.460 -9.034 -3.857 53 HZ3 LYS 7 HZ3 LYS 7 23.012 -8.054 -2.650 54 H SER 8 H SER 8 17.716 -7.055 -0.049 55 HA SER 8 HA SER 8 15.039 -6.284 -0.004 56 HB2 SER 8 HB3 SER 8 16.080 -7.923 1.510 57 HB3 SER 8 HB2 SER 8 16.950 -6.615 2.339 58 HG SER 8 HG SER 8 15.005 -7.190 3.396 59 H CYS 9 H CYS 9 14.041 -4.397 0.112 60 HA CYS 9 HA CYS 9 15.541 -1.927 0.461 61 HB2 CYS 9 HB3 CYS 9 13.602 -0.847 -0.357 62 HB3 CYS 9 HB2 CYS 9 13.809 -2.292 -1.310 63 H VAL 10 H VAL 10 14.623 -0.162 1.653 64 HA VAL 10 HA VAL 10 13.423 -0.609 4.290 65 HB VAL 10 HB VAL 10 14.116 1.812 2.585 66 HG11 VAL 10 HG11 VAL 10 12.021 2.448 3.643 67 HG12 VAL 10 HG12 VAL 10 13.346 3.250 4.483 68 HG13 VAL 10 HG13 VAL 10 12.577 1.825 5.215 69 HG21 VAL 10 HG21 VAL 10 15.617 2.355 4.441 70 HG22 VAL 10 HG22 VAL 10 15.943 0.704 3.890 71 HG23 VAL 10 HG23 VAL 10 15.012 0.967 5.377 72 HA PRO 11 HA PRO 11 9.462 -0.932 2.088 73 HB2 PRO 11 HB3 PRO 11 7.731 -1.029 4.197 74 HB3 PRO 11 HB2 PRO 11 8.811 -2.378 3.742 75 HG2 PRO 11 HG3 PRO 11 9.274 -0.284 5.885 76 HG3 PRO 11 HG2 PRO 11 9.462 -2.063 6.012 77 HD2 PRO 11 HD3 PRO 11 11.572 -0.394 5.530 78 HD3 PRO 11 HD2 PRO 11 11.483 -2.026 4.803 79 H GLY 12 H GLY 12 9.710 1.028 1.110 80 HA2 GLY 12 HA2 GLY 12 7.810 3.013 1.281 81 HA3 GLY 12 HA3 GLY 12 9.141 3.581 2.301 82 H LYS 13 H LYS 13 10.471 1.622 -0.159 83 HA LYS 13 HA LYS 13 11.742 1.952 -1.897 84 HB2 LYS 13 HB3 LYS 13 9.690 4.047 -2.712 85 HB3 LYS 13 HB2 LYS 13 10.883 3.292 -3.774 86 HG2 LYS 13 HG3 LYS 13 9.873 1.093 -3.442 87 HG3 LYS 13 HG2 LYS 13 8.698 1.760 -2.295 88 HD2 LYS 13 HD3 LYS 13 7.739 3.188 -4.065 89 HD3 LYS 13 HD2 LYS 13 8.937 2.576 -5.216 90 HE2 LYS 13 HE3 LYS 13 6.848 1.405 -5.570 91 HE3 LYS 13 HE2 LYS 13 8.040 0.274 -4.908 92 HZ1 LYS 13 HZ1 LYS 13 7.021 0.566 -2.766 93 HZ2 LYS 13 HZ2 LYS 13 5.912 0.041 -3.869 94 HZ3 LYS 13 HZ3 LYS 13 5.916 1.620 -3.390 95 H ASN 14 H ASN 14 12.407 3.329 0.498 96 HA ASN 14 HA ASN 14 13.345 5.974 -0.095 97 HB2 ASN 14 HB3 ASN 14 12.586 5.223 2.148 98 HB3 ASN 14 HB2 ASN 14 13.974 4.140 2.255 99 HD21 ASN 14 HD21 ASN 14 15.709 4.936 3.349 100 HD22 ASN 14 HD22 ASN 14 16.072 6.633 3.571 101 H GLU 15 H GLU 15 14.654 2.812 -0.665 102 HA GLU 15 HA GLU 15 17.464 3.793 -0.589 103 HB2 GLU 15 HB3 GLU 15 16.257 1.037 -0.190 104 HB3 GLU 15 HB2 GLU 15 17.984 1.355 -0.356 105 HG2 GLU 15 HG3 GLU 15 16.232 2.539 1.828 106 HG3 GLU 15 HG2 GLU 15 17.287 1.132 2.002 107 H CYS 16 H CYS 16 15.177 1.901 -2.655 108 HA CYS 16 HA CYS 16 17.069 0.601 -4.138 109 HB2 CYS 16 HB3 CYS 16 14.354 1.553 -5.099 110 HB3 CYS 16 HB2 CYS 16 15.331 0.275 -5.820 111 H CYS 17 H CYS 17 18.307 0.911 -5.900 112 HA CYS 17 HA CYS 17 19.225 3.486 -6.556 113 HB2 CYS 17 HB3 CYS 17 19.560 0.903 -8.119 114 HB3 CYS 17 HB2 CYS 17 20.547 2.339 -8.284 115 H SER 18 H SER 18 19.542 4.209 -8.884 116 HA SER 18 HA SER 18 17.064 5.005 -10.027 117 HB2 SER 18 HB3 SER 18 19.910 5.102 -11.107 118 HB3 SER 18 HB2 SER 18 18.514 5.925 -11.832 119 HG SER 18 HG SER 18 19.497 6.315 -9.199 120 H GLY 19 H GLY 19 15.724 3.627 -10.944 121 HA2 GLY 19 HA2 GLY 19 15.083 2.586 -13.025 122 HA3 GLY 19 HA3 GLY 19 16.642 1.760 -13.081 123 H LEU 20 H LEU 20 15.171 1.978 -9.944 124 HA LEU 20 HA LEU 20 14.033 -0.762 -10.069 125 HB2 LEU 20 HB3 LEU 20 15.826 0.384 -7.906 126 HB3 LEU 20 HB2 LEU 20 15.052 -1.196 -7.860 127 HG LEU 20 HG LEU 20 17.180 -0.360 -9.870 128 HD11 LEU 20 HD11 LEU 20 17.971 -0.489 -7.495 129 HD12 LEU 20 HD12 LEU 20 18.730 -1.678 -8.566 130 HD13 LEU 20 HD13 LEU 20 17.441 -2.177 -7.444 131 HD21 LEU 20 HD21 LEU 20 15.957 -3.091 -9.256 132 HD22 LEU 20 HD22 LEU 20 17.356 -2.805 -10.319 133 HD23 LEU 20 HD23 LEU 20 15.778 -2.163 -10.759 134 H THR 21 H THR 21 12.680 -1.224 -8.232 135 HA THR 21 HA THR 21 11.514 0.888 -6.635 136 HB THR 21 HB THR 21 10.373 1.247 -8.809 137 HG1 THR 21 HG1 THR 21 8.281 1.109 -7.955 138 HG21 THR 21 HG21 THR 21 8.780 -0.338 -9.742 139 HG22 THR 21 HG22 THR 21 9.168 -1.543 -8.511 140 HG23 THR 21 HG23 THR 21 10.382 -1.085 -9.726 141 H CYS 22 H CYS 22 10.720 -0.015 -4.737 142 HA CYS 22 HA CYS 22 11.357 -2.772 -4.382 143 HB2 CYS 22 HB3 CYS 22 11.668 -0.979 -2.660 144 HB3 CYS 22 HB2 CYS 22 9.924 -1.068 -2.342 145 H SER 23 H SER 23 10.196 -4.496 -4.587 146 HA SER 23 HA SER 23 7.595 -4.754 -5.536 147 HB2 SER 23 HB3 SER 23 9.470 -6.415 -5.594 148 HB3 SER 23 HB2 SER 23 9.255 -6.693 -3.868 149 HG SER 23 HG SER 23 7.103 -7.356 -4.346 150 H ASN 24 H ASN 24 5.611 -5.065 -4.601 151 HA ASN 24 HA ASN 24 5.080 -4.437 -1.846 152 HB2 ASN 24 HB3 ASN 24 3.458 -4.017 -3.618 153 HB3 ASN 24 HB2 ASN 24 3.404 -5.727 -4.041 154 HD21 ASN 24 HD21 ASN 24 1.625 -6.765 -3.247 155 HD22 ASN 24 HD22 ASN 24 0.788 -6.362 -1.764 156 H LYS 25 H LYS 25 5.252 -7.497 -3.742 157 HA LYS 25 HA LYS 25 4.496 -9.219 -1.589 158 HB2 LYS 25 HB3 LYS 25 5.744 -9.682 -4.329 159 HB3 LYS 25 HB2 LYS 25 5.452 -10.987 -3.185 160 HG2 LYS 25 HG3 LYS 25 3.648 -10.984 -4.702 161 HG3 LYS 25 HG2 LYS 25 3.030 -10.437 -3.143 162 HD2 LYS 25 HD3 LYS 25 2.956 -8.121 -3.943 163 HD3 LYS 25 HD2 LYS 25 3.749 -8.588 -5.466 164 HE2 LYS 25 HE3 LYS 25 1.815 -10.041 -6.003 165 HE3 LYS 25 HE2 LYS 25 1.042 -9.577 -4.473 166 HZ1 LYS 25 HZ1 LYS 25 1.723 -7.754 -6.670 167 HZ2 LYS 25 HZ2 LYS 25 1.011 -7.320 -5.247 168 HZ3 LYS 25 HZ3 LYS 25 0.213 -8.305 -6.302 169 H HIS 26 H HIS 26 7.643 -9.135 -3.340 170 HA HIS 26 HA HIS 26 9.005 -10.702 -1.437 171 HB2 HIS 26 HB3 HIS 26 10.036 -8.851 -3.614 172 HB3 HIS 26 HB2 HIS 26 11.024 -10.024 -2.745 173 HD1 HIS 26 HD1 HIS 26 8.355 -9.851 -5.471 174 HD2 HIS 26 HD2 HIS 26 10.761 -12.613 -3.413 175 HE1 HIS 26 HE1 HIS 26 8.228 -12.045 -6.770 176 H LYS 27 H LYS 27 8.611 -7.196 -1.629 177 HA LYS 27 HA LYS 27 9.684 -5.433 -0.813 178 HB2 LYS 27 HB3 LYS 27 9.840 -7.180 1.656 179 HB3 LYS 27 HB2 LYS 27 10.335 -5.489 1.640 180 HG2 LYS 27 HG3 LYS 27 7.545 -6.375 0.797 181 HG3 LYS 27 HG2 LYS 27 7.978 -5.963 2.458 182 HD2 LYS 27 HD3 LYS 27 8.623 -3.694 1.798 183 HD3 LYS 27 HD2 LYS 27 8.287 -4.047 0.100 184 HE2 LYS 27 HE3 LYS 27 5.920 -4.505 0.649 185 HE3 LYS 27 HE2 LYS 27 6.248 -4.137 2.354 186 HZ1 LYS 27 HZ1 LYS 27 6.864 -1.929 1.692 187 HZ2 LYS 27 HZ2 LYS 27 5.326 -2.270 1.204 188 HZ3 LYS 27 HZ3 LYS 27 6.558 -2.273 0.108 189 H TRP 28 H TRP 28 11.095 -6.386 -2.606 190 HA TRP 28 HA TRP 28 13.751 -5.609 -1.728 191 HB2 TRP 28 HB3 TRP 28 14.978 -7.231 -2.888 192 HB3 TRP 28 HB2 TRP 28 13.899 -8.062 -1.800 193 HD1 TRP 28 HD1 TRP 28 11.818 -7.465 -4.777 194 HE1 TRP 28 HE1 TRP 28 11.835 -9.417 -6.362 195 HE3 TRP 28 HE3 TRP 28 15.828 -9.966 -2.853 196 HZ2 TRP 28 HZ2 TRP 28 13.409 -11.827 -6.789 197 HZ3 TRP 28 HZ3 TRP 28 16.576 -12.097 -3.881 198 HH2 TRP 28 HH2 TRP 28 15.377 -13.033 -5.845 199 H CYS 29 H CYS 29 15.059 -4.778 -3.507 200 HA CYS 29 HA CYS 29 13.490 -3.056 -5.210 201 HB2 CYS 29 HB3 CYS 29 16.452 -3.631 -5.084 202 HB3 CYS 29 HB2 CYS 29 15.712 -2.293 -5.963 203 H LYS 30 H LYS 30 12.793 -3.422 -7.234 204 HA LYS 30 HA LYS 30 14.155 -5.378 -8.955 205 HB2 LYS 30 HB3 LYS 30 12.026 -6.392 -9.647 206 HB3 LYS 30 HB2 LYS 30 12.503 -6.762 -7.993 207 HG2 LYS 30 HG3 LYS 30 10.841 -5.265 -7.087 208 HG3 LYS 30 HG2 LYS 30 10.485 -4.580 -8.677 209 HD2 LYS 30 HD3 LYS 30 8.748 -6.171 -7.909 210 HD3 LYS 30 HD2 LYS 30 9.488 -6.632 -9.444 211 HE2 LYS 30 HE3 LYS 30 10.877 -8.314 -8.331 212 HE3 LYS 30 HE2 LYS 30 10.262 -7.818 -6.746 213 HZ1 LYS 30 HZ1 LYS 30 8.086 -8.493 -7.449 214 HZ2 LYS 30 HZ2 LYS 30 9.147 -9.749 -7.563 215 HZ3 LYS 30 HZ3 LYS 30 8.659 -8.955 -8.925 216 H VAL 31 H VAL 31 13.775 -5.132 -11.163 217 HA VAL 31 HA VAL 31 14.097 -2.507 -11.954 218 HB VAL 31 HB VAL 31 13.434 -4.936 -13.647 219 HG11 VAL 31 HG11 VAL 31 14.646 -2.246 -14.431 220 HG12 VAL 31 HG12 VAL 31 13.072 -2.892 -14.956 221 HG13 VAL 31 HG13 VAL 31 14.565 -3.680 -15.479 222 HG21 VAL 31 HG21 VAL 31 15.898 -5.010 -14.010 223 HG22 VAL 31 HG22 VAL 31 16.106 -3.659 -12.874 224 HG23 VAL 31 HG23 VAL 31 15.492 -5.225 -12.310 225 H LEU 32 H LEU 32 12.819 -0.895 -12.050 226 HA LEU 32 HA LEU 32 9.978 -0.921 -12.172 227 HB2 LEU 32 HB3 LEU 32 11.182 0.887 -11.110 228 HB3 LEU 32 HB2 LEU 32 12.116 1.196 -12.556 229 HG LEU 32 HG LEU 32 10.027 1.997 -13.702 230 HD11 LEU 32 HD11 LEU 32 8.334 0.722 -12.392 231 HD12 LEU 32 HD12 LEU 32 8.005 2.459 -12.385 232 HD13 LEU 32 HD13 LEU 32 8.729 1.696 -10.957 233 HD21 LEU 32 HD21 LEU 32 9.869 4.114 -12.460 234 HD22 LEU 32 HD22 LEU 32 10.664 3.366 -11.056 235 HD23 LEU 32 HD23 LEU 32 11.551 3.572 -12.584 236 H LEU 33 H LEU 33 12.435 -0.013 -14.521 237 HA LEU 33 HA LEU 33 10.473 0.407 -16.648 238 HB2 LEU 33 HB3 LEU 33 13.500 0.713 -16.569 239 HB3 LEU 33 HB2 LEU 33 12.476 1.165 -17.932 240 HG LEU 33 HG LEU 33 12.341 2.412 -15.143 241 HD11 LEU 33 HD11 LEU 33 13.349 4.379 -16.214 242 HD12 LEU 33 HD12 LEU 33 13.463 3.502 -17.757 243 HD13 LEU 33 HD13 LEU 33 14.413 2.970 -16.351 244 HD21 LEU 33 HD21 LEU 33 10.137 2.544 -16.221 245 HD22 LEU 33 HD22 LEU 33 10.879 3.157 -17.717 246 HD23 LEU 33 HD23 LEU 33 10.906 4.131 -16.231 247 HN1 NH2 34 HN1 AMD 34 9.633 -1.496 -17.404 248 HN2 NH2 34 HN2 AMD 34 10.598 -2.782 -18.095 Start of MODEL 6 1 H1 GLU 1 H1 AMN 0 23.894 7.080 -1.658 2 H2 GLU 1 H2 AMN 0 25.436 6.720 -2.119 3 H3 GLU 1 H3 AMN 0 24.188 6.508 -3.176 4 HA GLU 1 HA GLU 1 24.918 4.430 -2.334 5 HB2 GLU 1 HB3 GLU 1 25.767 5.350 -0.180 6 HB3 GLU 1 HB2 GLU 1 24.102 5.533 0.382 7 HG2 GLU 1 HG3 GLU 1 25.090 3.482 1.276 8 HG3 GLU 1 HG2 GLU 1 23.766 3.075 0.188 9 H CYS 2 H CYS 2 23.463 3.082 -3.045 10 HA CYS 2 HA CYS 2 20.624 3.313 -2.264 11 HB2 CYS 2 HB3 CYS 2 19.928 3.075 -4.552 12 HB3 CYS 2 HB2 CYS 2 20.982 4.465 -4.401 13 H LYS 3 H LYS 3 19.533 1.241 -3.515 14 HA LYS 3 HA LYS 3 20.963 -1.113 -2.399 15 HB2 LYS 3 HB3 LYS 3 19.124 -0.091 -1.029 16 HB3 LYS 3 HB2 LYS 3 17.988 -0.465 -2.310 17 HG2 LYS 3 HG3 LYS 3 17.868 -2.076 -0.502 18 HG3 LYS 3 HG2 LYS 3 18.413 -2.882 -1.974 19 HD2 LYS 3 HD3 LYS 3 20.665 -3.051 -1.169 20 HD3 LYS 3 HD2 LYS 3 20.388 -1.844 0.107 21 HE2 LYS 3 HE3 LYS 3 18.916 -3.342 1.306 22 HE3 LYS 3 HE2 LYS 3 18.999 -4.544 0.007 23 HZ1 LYS 3 HZ1 LYS 3 20.450 -5.084 1.814 24 HZ2 LYS 3 HZ2 LYS 3 21.252 -3.650 1.663 25 HZ3 LYS 3 HZ3 LYS 3 21.332 -4.771 0.456 26 H GLY 4 H GLY 4 21.508 -2.483 -3.962 27 HA2 GLY 4 HA2 GLY 4 20.680 -2.159 -6.643 28 HA3 GLY 4 HA3 GLY 4 21.707 -3.440 -5.991 29 H PHE 5 H PHE 5 20.202 -4.171 -8.025 30 HA PHE 5 HA PHE 5 17.569 -4.914 -7.685 31 HB2 PHE 5 HB3 PHE 5 18.724 -4.613 -9.804 32 HB3 PHE 5 HB2 PHE 5 19.869 -5.894 -9.419 33 HD1 PHE 5 HD1 PHE 5 16.123 -5.512 -9.412 34 HD2 PHE 5 HD2 PHE 5 19.536 -7.855 -10.623 35 HE1 PHE 5 HE1 PHE 5 14.604 -7.224 -10.395 36 HE2 PHE 5 HE2 PHE 5 18.018 -9.543 -11.623 37 HZ PHE 5 HZ PHE 5 15.563 -9.222 -11.494 38 H GLY 6 H GLY 6 16.633 -6.443 -6.570 39 HA2 GLY 6 HA2 GLY 6 16.145 -8.584 -5.859 40 HA3 GLY 6 HA3 GLY 6 17.816 -9.089 -6.118 41 H LYS 7 H LYS 7 18.158 -6.256 -4.432 42 HA LYS 7 HA LYS 7 18.680 -7.717 -1.938 43 HB2 LYS 7 HB3 LYS 7 19.339 -4.847 -2.670 44 HB3 LYS 7 HB2 LYS 7 19.980 -5.788 -1.327 45 HG2 LYS 7 HG3 LYS 7 20.533 -6.303 -4.277 46 HG3 LYS 7 HG2 LYS 7 21.619 -5.546 -3.114 47 HD2 LYS 7 HD3 LYS 7 21.656 -7.657 -1.780 48 HD3 LYS 7 HD2 LYS 7 20.620 -8.430 -3.005 49 HE2 LYS 7 HE3 LYS 7 22.326 -7.997 -4.735 50 HE3 LYS 7 HE2 LYS 7 23.363 -7.214 -3.526 51 HZ1 LYS 7 HZ1 LYS 7 22.490 -10.016 -3.474 52 HZ2 LYS 7 HZ2 LYS 7 23.453 -9.287 -2.351 53 HZ3 LYS 7 HZ3 LYS 7 23.990 -9.478 -3.899 54 H SER 8 H SER 8 17.606 -7.446 -0.082 55 HA SER 8 HA SER 8 14.949 -6.635 -0.125 56 HB2 SER 8 HB3 SER 8 15.885 -8.365 1.344 57 HB3 SER 8 HB2 SER 8 16.765 -7.127 2.264 58 HG SER 8 HG SER 8 14.770 -7.705 3.228 59 H CYS 9 H CYS 9 14.045 -4.691 -0.090 60 HA CYS 9 HA CYS 9 15.603 -2.308 0.326 61 HB2 CYS 9 HB3 CYS 9 13.689 -1.143 -0.454 62 HB3 CYS 9 HB2 CYS 9 13.824 -2.589 -1.413 63 H VAL 10 H VAL 10 14.761 -0.476 1.500 64 HA VAL 10 HA VAL 10 13.616 -0.853 4.170 65 HB VAL 10 HB VAL 10 14.253 1.554 2.413 66 HG11 VAL 10 HG11 VAL 10 12.218 2.187 3.587 67 HG12 VAL 10 HG12 VAL 10 13.583 2.973 4.379 68 HG13 VAL 10 HG13 VAL 10 12.845 1.537 5.120 69 HG21 VAL 10 HG21 VAL 10 15.831 2.086 4.230 70 HG22 VAL 10 HG22 VAL 10 16.154 0.468 3.582 71 HG23 VAL 10 HG23 VAL 10 15.303 0.647 5.131 72 HA PRO 11 HA PRO 11 9.619 -1.241 2.061 73 HB2 PRO 11 HB3 PRO 11 7.943 -1.425 4.204 74 HB3 PRO 11 HB2 PRO 11 9.060 -2.728 3.711 75 HG2 PRO 11 HG3 PRO 11 9.499 -0.640 5.864 76 HG3 PRO 11 HG2 PRO 11 9.743 -2.413 5.973 77 HD2 PRO 11 HD3 PRO 11 11.793 -0.682 5.459 78 HD3 PRO 11 HD2 PRO 11 11.732 -2.308 4.716 79 H GLY 12 H GLY 12 9.828 0.754 1.123 80 HA2 GLY 12 HA2 GLY 12 7.825 2.634 1.325 81 HA3 GLY 12 HA3 GLY 12 9.128 3.260 2.346 82 H LYS 13 H LYS 13 10.464 1.382 -0.212 83 HA LYS 13 HA LYS 13 11.690 1.804 -1.970 84 HB2 LYS 13 HB3 LYS 13 9.600 3.919 -2.637 85 HB3 LYS 13 HB2 LYS 13 10.756 3.208 -3.766 86 HG2 LYS 13 HG3 LYS 13 9.731 1.015 -3.547 87 HG3 LYS 13 HG2 LYS 13 8.620 1.600 -2.297 88 HD2 LYS 13 HD3 LYS 13 7.570 3.147 -3.893 89 HD3 LYS 13 HD2 LYS 13 8.723 2.668 -5.145 90 HE2 LYS 13 HE3 LYS 13 6.629 1.517 -5.528 91 HE3 LYS 13 HE2 LYS 13 7.858 0.339 -5.040 92 HZ1 LYS 13 HZ1 LYS 13 5.783 -0.027 -3.936 93 HZ2 LYS 13 HZ2 LYS 13 5.796 1.494 -3.296 94 HZ3 LYS 13 HZ3 LYS 13 6.937 0.395 -2.836 95 H ASN 14 H ASN 14 12.379 3.126 0.470 96 HA ASN 14 HA ASN 14 13.190 5.821 -0.065 97 HB2 ASN 14 HB3 ASN 14 12.495 4.975 2.163 98 HB3 ASN 14 HB2 ASN 14 13.934 3.956 2.224 99 HD21 ASN 14 HD21 ASN 14 15.440 4.805 3.573 100 HD22 ASN 14 HD22 ASN 14 15.799 6.508 3.754 101 H GLU 15 H GLU 15 14.683 2.721 -0.678 102 HA GLU 15 HA GLU 15 17.402 3.958 -0.800 103 HB2 GLU 15 HB3 GLU 15 16.542 1.204 0.135 104 HB3 GLU 15 HB2 GLU 15 18.214 1.699 -0.146 105 HG2 GLU 15 HG3 GLU 15 16.356 2.999 1.879 106 HG3 GLU 15 HG2 GLU 15 17.618 1.818 2.230 107 H CYS 16 H CYS 16 15.144 1.795 -2.582 108 HA CYS 16 HA CYS 16 17.046 0.478 -4.120 109 HB2 CYS 16 HB3 CYS 16 14.235 1.296 -4.901 110 HB3 CYS 16 HB2 CYS 16 15.226 0.124 -5.762 111 H CYS 17 H CYS 17 18.213 0.849 -5.892 112 HA CYS 17 HA CYS 17 19.066 3.431 -6.516 113 HB2 CYS 17 HB3 CYS 17 19.379 0.886 -8.141 114 HB3 CYS 17 HB2 CYS 17 20.348 2.335 -8.319 115 H SER 18 H SER 18 19.328 4.290 -8.765 116 HA SER 18 HA SER 18 16.796 5.012 -9.902 117 HB2 SER 18 HB3 SER 18 19.661 5.449 -10.843 118 HB3 SER 18 HB2 SER 18 18.223 6.194 -11.572 119 HG SER 18 HG SER 18 19.056 6.470 -8.873 120 H GLY 19 H GLY 19 15.641 3.505 -10.884 121 HA2 GLY 19 HA2 GLY 19 15.293 2.516 -13.146 122 HA3 GLY 19 HA3 GLY 19 16.843 1.697 -12.933 123 H LEU 20 H LEU 20 15.397 1.849 -9.915 124 HA LEU 20 HA LEU 20 14.088 -0.812 -10.115 125 HB2 LEU 20 HB3 LEU 20 15.811 0.247 -7.856 126 HB3 LEU 20 HB2 LEU 20 15.084 -1.353 -7.957 127 HG LEU 20 HG LEU 20 17.291 -0.292 -9.766 128 HD11 LEU 20 HD11 LEU 20 17.451 -2.341 -7.527 129 HD12 LEU 20 HD12 LEU 20 17.947 -0.646 -7.383 130 HD13 LEU 20 HD13 LEU 20 18.792 -1.713 -8.516 131 HD21 LEU 20 HD21 LEU 20 17.556 -2.679 -10.450 132 HD22 LEU 20 HD22 LEU 20 16.013 -1.998 -10.949 133 HD23 LEU 20 HD23 LEU 20 16.079 -3.086 -9.543 134 H THR 21 H THR 21 12.728 -1.247 -8.236 135 HA THR 21 HA THR 21 11.657 0.881 -6.620 136 HB THR 21 HB THR 21 10.489 1.310 -8.781 137 HG1 THR 21 HG1 THR 21 8.857 0.306 -6.708 138 HG21 THR 21 HG21 THR 21 9.067 -1.364 -8.398 139 HG22 THR 21 HG22 THR 21 10.307 -1.061 -9.636 140 HG23 THR 21 HG23 THR 21 8.786 -0.157 -9.662 141 H CYS 22 H CYS 22 10.848 -0.021 -4.725 142 HA CYS 22 HA CYS 22 11.339 -2.819 -4.439 143 HB2 CYS 22 HB3 CYS 22 11.777 -1.108 -2.666 144 HB3 CYS 22 HB2 CYS 22 10.033 -1.078 -2.343 145 H SER 23 H SER 23 10.058 -4.473 -4.688 146 HA SER 23 HA SER 23 7.315 -4.515 -5.351 147 HB2 SER 23 HB3 SER 23 9.036 -6.309 -5.726 148 HB3 SER 23 HB2 SER 23 9.042 -6.632 -3.991 149 HG SER 23 HG SER 23 7.635 -8.020 -5.150 150 H ASN 24 H ASN 24 5.480 -4.607 -4.093 151 HA ASN 24 HA ASN 24 5.526 -4.046 -1.277 152 HB2 ASN 24 HB3 ASN 24 3.690 -3.352 -2.759 153 HB3 ASN 24 HB2 ASN 24 3.300 -5.037 -3.111 154 HD21 ASN 24 HD21 ASN 24 3.645 -2.712 -0.366 155 HD22 ASN 24 HD22 ASN 24 2.383 -3.419 0.618 156 H LYS 25 H LYS 25 4.913 -7.028 -3.223 157 HA LYS 25 HA LYS 25 4.284 -8.679 -0.994 158 HB2 LYS 25 HB3 LYS 25 3.532 -9.033 -3.337 159 HB3 LYS 25 HB2 LYS 25 5.183 -9.466 -3.800 160 HG2 LYS 25 HG3 LYS 25 5.108 -11.382 -2.180 161 HG3 LYS 25 HG2 LYS 25 3.463 -10.905 -1.720 162 HD2 LYS 25 HD3 LYS 25 2.703 -11.295 -4.054 163 HD3 LYS 25 HD2 LYS 25 4.356 -11.775 -4.508 164 HE2 LYS 25 HE3 LYS 25 4.274 -13.626 -2.872 165 HE3 LYS 25 HE2 LYS 25 2.637 -13.137 -2.390 166 HZ1 LYS 25 HZ1 LYS 25 1.913 -13.588 -4.616 167 HZ2 LYS 25 HZ2 LYS 25 2.602 -14.931 -3.950 168 HZ3 LYS 25 HZ3 LYS 25 3.433 -14.044 -5.066 169 H HIS 26 H HIS 26 7.211 -8.728 -3.135 170 HA HIS 26 HA HIS 26 8.568 -10.642 -1.514 171 HB2 HIS 26 HB3 HIS 26 9.596 -8.826 -3.724 172 HB3 HIS 26 HB2 HIS 26 10.451 -10.211 -3.047 173 HD1 HIS 26 HD1 HIS 26 7.532 -9.407 -5.383 174 HD2 HIS 26 HD2 HIS 26 9.612 -12.676 -3.761 175 HE1 HIS 26 HE1 HIS 26 6.792 -11.468 -6.694 176 H LYS 27 H LYS 27 8.520 -7.123 -1.473 177 HA LYS 27 HA LYS 27 9.756 -5.519 -0.542 178 HB2 LYS 27 HB3 LYS 27 10.113 -7.543 1.689 179 HB3 LYS 27 HB2 LYS 27 10.558 -5.844 1.795 180 HG2 LYS 27 HG3 LYS 27 7.728 -6.874 1.340 181 HG3 LYS 27 HG2 LYS 27 8.409 -6.312 2.870 182 HD2 LYS 27 HD3 LYS 27 8.850 -4.063 1.766 183 HD3 LYS 27 HD2 LYS 27 7.920 -4.642 0.373 184 HE2 LYS 27 HE3 LYS 27 5.971 -5.057 1.860 185 HE3 LYS 27 HE2 LYS 27 6.897 -4.399 3.223 186 HZ1 LYS 27 HZ1 LYS 27 5.469 -2.766 2.244 187 HZ2 LYS 27 HZ2 LYS 27 6.189 -2.948 0.771 188 HZ3 LYS 27 HZ3 LYS 27 7.048 -2.333 2.038 189 H TRP 28 H TRP 28 10.994 -6.476 -2.574 190 HA TRP 28 HA TRP 28 13.724 -5.822 -1.820 191 HB2 TRP 28 HB3 TRP 28 14.787 -7.397 -3.290 192 HB3 TRP 28 HB2 TRP 28 13.944 -8.182 -1.981 193 HD1 TRP 28 HD1 TRP 28 11.895 -7.388 -5.170 194 HE1 TRP 28 HE1 TRP 28 11.359 -9.543 -6.351 195 HE3 TRP 28 HE3 TRP 28 14.888 -10.475 -2.460 196 HZ2 TRP 28 HZ2 TRP 28 12.081 -12.367 -6.117 197 HZ3 TRP 28 HZ3 TRP 28 14.958 -12.919 -2.955 198 HH2 TRP 28 HH2 TRP 28 13.552 -13.866 -4.772 199 H CYS 29 H CYS 29 14.993 -5.097 -3.647 200 HA CYS 29 HA CYS 29 13.491 -3.189 -5.249 201 HB2 CYS 29 HB3 CYS 29 16.414 -3.969 -5.228 202 HB3 CYS 29 HB2 CYS 29 15.740 -2.581 -6.069 203 H LYS 30 H LYS 30 12.794 -3.448 -7.309 204 HA LYS 30 HA LYS 30 14.007 -5.473 -9.044 205 HB2 LYS 30 HB3 LYS 30 11.829 -6.359 -9.760 206 HB3 LYS 30 HB2 LYS 30 12.294 -6.792 -8.119 207 HG2 LYS 30 HG3 LYS 30 10.709 -5.230 -7.170 208 HG3 LYS 30 HG2 LYS 30 10.371 -4.511 -8.751 209 HD2 LYS 30 HD3 LYS 30 8.569 -6.029 -8.023 210 HD3 LYS 30 HD2 LYS 30 9.316 -6.549 -9.536 211 HE2 LYS 30 HE3 LYS 30 10.622 -8.260 -8.358 212 HE3 LYS 30 HE2 LYS 30 9.992 -7.707 -6.798 213 HZ1 LYS 30 HZ1 LYS 30 7.808 -8.317 -7.535 214 HZ2 LYS 30 HZ2 LYS 30 8.825 -9.614 -7.600 215 HZ3 LYS 30 HZ3 LYS 30 8.396 -8.832 -8.988 216 H VAL 31 H VAL 31 13.732 -5.149 -11.222 217 HA VAL 31 HA VAL 31 14.180 -2.505 -11.895 218 HB VAL 31 HB VAL 31 13.563 -4.825 -13.761 219 HG11 VAL 31 HG11 VAL 31 15.045 -2.200 -14.253 220 HG12 VAL 31 HG12 VAL 31 13.482 -2.670 -14.962 221 HG13 VAL 31 HG13 VAL 31 14.947 -3.555 -15.396 222 HG21 VAL 31 HG21 VAL 31 15.446 -5.366 -12.268 223 HG22 VAL 31 HG22 VAL 31 16.034 -5.069 -13.901 224 HG23 VAL 31 HG23 VAL 31 16.229 -3.819 -12.654 225 H LEU 32 H LEU 32 12.835 -0.891 -11.881 226 HA LEU 32 HA LEU 32 10.086 -0.938 -12.768 227 HB2 LEU 32 HB3 LEU 32 10.853 0.710 -11.138 228 HB3 LEU 32 HB2 LEU 32 12.088 1.292 -12.238 229 HG LEU 32 HG LEU 32 10.331 2.168 -13.760 230 HD11 LEU 32 HD11 LEU 32 8.484 0.595 -13.322 231 HD12 LEU 32 HD12 LEU 32 7.963 2.254 -13.014 232 HD13 LEU 32 HD13 LEU 32 8.353 1.187 -11.650 233 HD21 LEU 32 HD21 LEU 32 9.981 3.042 -10.859 234 HD22 LEU 32 HD22 LEU 32 11.256 3.592 -11.969 235 HD23 LEU 32 HD23 LEU 32 9.563 3.994 -12.301 236 H LEU 33 H LEU 33 13.070 0.461 -14.009 237 HA LEU 33 HA LEU 33 12.340 -0.070 -16.822 238 HB2 LEU 33 HB3 LEU 33 11.512 2.176 -16.312 239 HB3 LEU 33 HB2 LEU 33 13.053 2.617 -15.576 240 HG LEU 33 HG LEU 33 14.178 2.407 -17.759 241 HD11 LEU 33 HD11 LEU 33 11.379 1.893 -18.875 242 HD12 LEU 33 HD12 LEU 33 12.749 0.760 -18.910 243 HD13 LEU 33 HD13 LEU 33 12.819 2.252 -19.852 244 HD21 LEU 33 HD21 LEU 33 13.289 4.584 -17.014 245 HD22 LEU 33 HD22 LEU 33 11.736 4.234 -17.804 246 HD23 LEU 33 HD23 LEU 33 13.209 4.437 -18.777 247 HN1 NH2 34 HN1 AMD 34 14.039 -1.107 -17.736 248 HN2 NH2 34 HN2 AMD 34 15.713 -0.936 -17.260 Start of MODEL 7 1 H1 GLU 1 H1 AMN 0 23.822 3.792 1.472 2 H2 GLU 1 H2 AMN 0 25.211 4.495 0.927 3 H3 GLU 1 H3 AMN 0 23.749 5.174 0.575 4 HA GLU 1 HA GLU 1 24.631 4.088 -1.314 5 HB2 GLU 1 HB3 GLU 1 24.993 1.694 -1.370 6 HB3 GLU 1 HB2 GLU 1 26.008 2.474 -0.173 7 HG2 GLU 1 HG3 GLU 1 25.334 0.496 0.862 8 HG3 GLU 1 HG2 GLU 1 24.324 1.722 1.612 9 H CYS 2 H CYS 2 23.303 3.155 -2.894 10 HA CYS 2 HA CYS 2 20.464 2.871 -2.145 11 HB2 CYS 2 HB3 CYS 2 19.944 3.151 -4.437 12 HB3 CYS 2 HB2 CYS 2 21.065 4.411 -3.970 13 H LYS 3 H LYS 3 19.329 1.003 -2.507 14 HA LYS 3 HA LYS 3 20.889 -1.465 -2.429 15 HB2 LYS 3 HB3 LYS 3 17.945 -0.776 -2.161 16 HB3 LYS 3 HB2 LYS 3 18.510 -2.443 -2.197 17 HG2 LYS 3 HG3 LYS 3 19.463 -0.363 -0.182 18 HG3 LYS 3 HG2 LYS 3 18.142 -1.502 0.102 19 HD2 LYS 3 HD3 LYS 3 19.712 -3.398 -0.164 20 HD3 LYS 3 HD2 LYS 3 21.052 -2.257 -0.426 21 HE2 LYS 3 HE3 LYS 3 20.583 -1.245 1.803 22 HE3 LYS 3 HE2 LYS 3 19.324 -2.466 2.070 23 HZ1 LYS 3 HZ1 LYS 3 21.391 -3.084 3.074 24 HZ2 LYS 3 HZ2 LYS 3 22.175 -3.006 1.625 25 HZ3 LYS 3 HZ3 LYS 3 21.009 -4.147 1.871 26 H GLY 4 H GLY 4 21.498 -2.535 -4.160 27 HA2 GLY 4 HA2 GLY 4 20.563 -1.981 -6.820 28 HA3 GLY 4 HA3 GLY 4 21.710 -3.229 -6.310 29 H PHE 5 H PHE 5 20.177 -4.051 -8.253 30 HA PHE 5 HA PHE 5 17.593 -4.888 -7.851 31 HB2 PHE 5 HB3 PHE 5 18.754 -4.588 -9.985 32 HB3 PHE 5 HB2 PHE 5 19.885 -5.877 -9.595 33 HD1 PHE 5 HD1 PHE 5 16.141 -5.476 -9.521 34 HD2 PHE 5 HD2 PHE 5 19.517 -7.815 -10.834 35 HE1 PHE 5 HE1 PHE 5 14.594 -7.143 -10.525 36 HE2 PHE 5 HE2 PHE 5 17.970 -9.471 -11.844 37 HZ PHE 5 HZ PHE 5 15.521 -9.127 -11.680 38 H GLY 6 H GLY 6 16.748 -6.378 -6.567 39 HA2 GLY 6 HA2 GLY 6 16.355 -8.386 -5.597 40 HA3 GLY 6 HA3 GLY 6 17.884 -9.019 -6.216 41 H LYS 7 H LYS 7 17.537 -6.045 -4.236 42 HA LYS 7 HA LYS 7 18.631 -7.474 -1.861 43 HB2 LYS 7 HB3 LYS 7 19.267 -4.633 -2.731 44 HB3 LYS 7 HB2 LYS 7 19.787 -5.439 -1.248 45 HG2 LYS 7 HG3 LYS 7 20.946 -7.182 -2.697 46 HG3 LYS 7 HG2 LYS 7 20.603 -6.136 -4.092 47 HD2 LYS 7 HD3 LYS 7 21.808 -4.259 -2.890 48 HD3 LYS 7 HD2 LYS 7 22.190 -5.401 -1.591 49 HE2 LYS 7 HE3 LYS 7 24.128 -5.306 -2.993 50 HE3 LYS 7 HE2 LYS 7 23.344 -6.863 -3.301 51 HZ1 LYS 7 HZ1 LYS 7 23.094 -4.455 -4.967 52 HZ2 LYS 7 HZ2 LYS 7 22.366 -5.905 -5.262 53 HZ3 LYS 7 HZ3 LYS 7 24.010 -5.782 -5.317 54 H SER 8 H SER 8 17.724 -7.069 0.041 55 HA SER 8 HA SER 8 14.990 -6.360 0.059 56 HB2 SER 8 HB3 SER 8 16.030 -8.039 1.544 57 HB3 SER 8 HB2 SER 8 16.897 -6.746 2.400 58 HG SER 8 HG SER 8 14.839 -5.858 2.916 59 H CYS 9 H CYS 9 13.984 -4.489 0.307 60 HA CYS 9 HA CYS 9 15.538 -2.038 0.674 61 HB2 CYS 9 HB3 CYS 9 13.636 -0.919 -0.177 62 HB3 CYS 9 HB2 CYS 9 13.857 -2.349 -1.149 63 H VAL 10 H VAL 10 14.661 -0.295 1.862 64 HA VAL 10 HA VAL 10 13.409 -0.743 4.477 65 HB VAL 10 HB VAL 10 14.315 1.684 2.879 66 HG11 VAL 10 HG11 VAL 10 12.887 1.744 5.565 67 HG12 VAL 10 HG12 VAL 10 12.281 2.409 4.030 68 HG13 VAL 10 HG13 VAL 10 13.705 3.118 4.786 69 HG21 VAL 10 HG21 VAL 10 15.889 2.000 4.738 70 HG22 VAL 10 HG22 VAL 10 16.068 0.360 4.097 71 HG23 VAL 10 HG23 VAL 10 15.181 0.620 5.609 72 HA PRO 11 HA PRO 11 9.376 -0.381 2.392 73 HB2 PRO 11 HB3 PRO 11 7.735 -0.046 4.562 74 HB3 PRO 11 HB2 PRO 11 8.464 -1.612 4.102 75 HG2 PRO 11 HG3 PRO 11 9.430 0.352 6.196 76 HG3 PRO 11 HG2 PRO 11 9.274 -1.426 6.332 77 HD2 PRO 11 HD3 PRO 11 11.645 -0.171 5.766 78 HD3 PRO 11 HD2 PRO 11 11.251 -1.779 5.104 79 H GLY 12 H GLY 12 9.583 1.420 1.250 80 HA2 GLY 12 HA2 GLY 12 8.448 3.904 1.703 81 HA3 GLY 12 HA3 GLY 12 10.148 4.004 2.226 82 H LYS 13 H LYS 13 10.948 1.831 0.349 83 HA LYS 13 HA LYS 13 11.781 1.417 -1.594 84 HB2 LYS 13 HB3 LYS 13 9.992 3.357 -3.075 85 HB3 LYS 13 HB2 LYS 13 10.694 1.837 -3.629 86 HG2 LYS 13 HG3 LYS 13 9.125 0.664 -1.957 87 HG3 LYS 13 HG2 LYS 13 8.348 2.235 -1.727 88 HD2 LYS 13 HD3 LYS 13 8.005 2.321 -4.253 89 HD3 LYS 13 HD2 LYS 13 8.492 0.618 -4.292 90 HE2 LYS 13 HE3 LYS 13 6.174 1.792 -2.695 91 HE3 LYS 13 HE2 LYS 13 6.027 0.916 -4.227 92 HZ1 LYS 13 HZ1 LYS 13 6.920 -1.009 -3.151 93 HZ2 LYS 13 HZ2 LYS 13 5.577 -0.477 -2.355 94 HZ3 LYS 13 HZ3 LYS 13 7.075 -0.197 -1.724 95 H ASN 14 H ASN 14 12.264 3.953 0.091 96 HA ASN 14 HA ASN 14 13.384 5.929 -1.531 97 HB2 ASN 14 HB3 ASN 14 14.380 6.774 0.577 98 HB3 ASN 14 HB2 ASN 14 12.663 6.414 0.712 99 HD21 ASN 14 HD21 ASN 14 15.853 5.681 1.928 100 HD22 ASN 14 HD22 ASN 14 15.367 4.491 3.115 101 H GLU 15 H GLU 15 14.694 2.952 -0.171 102 HA GLU 15 HA GLU 15 17.481 3.526 -0.468 103 HB2 GLU 15 HB3 GLU 15 15.862 0.974 -0.165 104 HB3 GLU 15 HB2 GLU 15 17.606 0.951 -0.402 105 HG2 GLU 15 HG3 GLU 15 16.227 2.422 1.869 106 HG3 GLU 15 HG2 GLU 15 16.951 0.813 1.983 107 H CYS 16 H CYS 16 15.214 1.635 -2.581 108 HA CYS 16 HA CYS 16 17.098 0.493 -4.162 109 HB2 CYS 16 HB3 CYS 16 14.329 1.387 -5.017 110 HB3 CYS 16 HB2 CYS 16 15.319 0.160 -5.804 111 H CYS 17 H CYS 17 18.307 0.932 -5.918 112 HA CYS 17 HA CYS 17 19.089 3.573 -6.491 113 HB2 CYS 17 HB3 CYS 17 19.549 1.076 -8.157 114 HB3 CYS 17 HB2 CYS 17 20.471 2.562 -8.246 115 H SER 18 H SER 18 19.369 4.344 -8.840 116 HA SER 18 HA SER 18 16.850 5.018 -9.964 117 HB2 SER 18 HB3 SER 18 18.206 6.045 -11.761 118 HB3 SER 18 HB2 SER 18 18.709 6.518 -10.132 119 HG SER 18 HG SER 18 20.396 4.977 -10.300 120 H GLY 19 H GLY 19 15.555 3.671 -10.930 121 HA2 GLY 19 HA2 GLY 19 14.912 2.555 -12.945 122 HA3 GLY 19 HA3 GLY 19 16.506 1.805 -13.046 123 H LEU 20 H LEU 20 14.981 2.013 -9.905 124 HA LEU 20 HA LEU 20 13.944 -0.760 -9.977 125 HB2 LEU 20 HB3 LEU 20 15.848 0.393 -7.907 126 HB3 LEU 20 HB2 LEU 20 15.034 -1.158 -7.772 127 HG LEU 20 HG LEU 20 17.024 -0.498 -9.974 128 HD11 LEU 20 HD11 LEU 20 18.686 -1.703 -8.695 129 HD12 LEU 20 HD12 LEU 20 17.508 -2.063 -7.410 130 HD13 LEU 20 HD13 LEU 20 18.035 -0.398 -7.688 131 HD21 LEU 20 HD21 LEU 20 15.917 -3.163 -8.970 132 HD22 LEU 20 HD22 LEU 20 17.131 -2.948 -10.254 133 HD23 LEU 20 HD23 LEU 20 15.484 -2.368 -10.494 134 H THR 21 H THR 21 12.529 -1.216 -8.275 135 HA THR 21 HA THR 21 11.639 0.830 -6.422 136 HB THR 21 HB THR 21 10.329 1.266 -8.556 137 HG1 THR 21 HG1 THR 21 8.395 1.450 -7.384 138 HG21 THR 21 HG21 THR 21 8.499 -0.155 -9.197 139 HG22 THR 21 HG22 THR 21 8.796 -1.278 -7.858 140 HG23 THR 21 HG23 THR 21 9.954 -1.171 -9.198 141 H CYS 22 H CYS 22 10.843 -0.140 -4.533 142 HA CYS 22 HA CYS 22 11.454 -2.920 -4.300 143 HB2 CYS 22 HB3 CYS 22 11.741 -1.138 -2.529 144 HB3 CYS 22 HB2 CYS 22 10.001 -1.280 -2.229 145 H SER 23 H SER 23 10.219 -4.657 -4.473 146 HA SER 23 HA SER 23 7.572 -4.749 -5.394 147 HB2 SER 23 HB3 SER 23 9.354 -6.508 -5.555 148 HB3 SER 23 HB2 SER 23 9.153 -6.838 -3.835 149 HG SER 23 HG SER 23 6.951 -7.337 -4.296 150 H ASN 24 H ASN 24 5.608 -5.038 -4.396 151 HA ASN 24 HA ASN 24 5.229 -4.388 -1.617 152 HB2 ASN 24 HB3 ASN 24 2.885 -4.881 -2.043 153 HB3 ASN 24 HB2 ASN 24 3.552 -3.819 -3.274 154 HD21 ASN 24 HD21 ASN 24 1.822 -6.735 -2.704 155 HD22 ASN 24 HD22 ASN 24 1.808 -7.334 -4.348 156 H LYS 25 H LYS 25 5.075 -7.437 -3.522 157 HA LYS 25 HA LYS 25 4.387 -9.087 -1.283 158 HB2 LYS 25 HB3 LYS 25 3.708 -9.509 -3.622 159 HB3 LYS 25 HB2 LYS 25 5.390 -9.797 -4.074 160 HG2 LYS 25 HG3 LYS 25 5.457 -11.737 -2.480 161 HG3 LYS 25 HG2 LYS 25 3.765 -11.422 -2.057 162 HD2 LYS 25 HD3 LYS 25 3.082 -11.829 -4.390 163 HD3 LYS 25 HD2 LYS 25 4.766 -12.090 -4.869 164 HE2 LYS 25 HE3 LYS 25 3.269 -13.768 -2.811 165 HE3 LYS 25 HE2 LYS 25 3.451 -14.199 -4.521 166 HZ1 LYS 25 HZ1 LYS 25 5.811 -14.225 -4.215 167 HZ2 LYS 25 HZ2 LYS 25 5.079 -15.274 -3.172 168 HZ3 LYS 25 HZ3 LYS 25 5.653 -13.829 -2.622 169 H HIS 26 H HIS 26 7.365 -8.986 -3.342 170 HA HIS 26 HA HIS 26 8.742 -10.858 -1.665 171 HB2 HIS 26 HB3 HIS 26 9.728 -9.137 -3.969 172 HB3 HIS 26 HB2 HIS 26 10.577 -10.518 -3.273 173 HD1 HIS 26 HD1 HIS 26 7.712 -9.715 -5.642 174 HD2 HIS 26 HD2 HIS 26 9.487 -13.004 -3.725 175 HE1 HIS 26 HE1 HIS 26 6.782 -11.808 -6.768 176 H LYS 27 H LYS 27 8.512 -7.394 -1.604 177 HA LYS 27 HA LYS 27 9.682 -5.709 -0.764 178 HB2 LYS 27 HB3 LYS 27 8.704 -6.874 1.239 179 HB3 LYS 27 HB2 LYS 27 10.307 -7.553 1.554 180 HG2 LYS 27 HG3 LYS 27 11.223 -5.214 1.704 181 HG3 LYS 27 HG2 LYS 27 9.603 -4.579 1.369 182 HD2 LYS 27 HD3 LYS 27 8.752 -5.640 3.436 183 HD3 LYS 27 HD2 LYS 27 10.366 -6.315 3.761 184 HE2 LYS 27 HE3 LYS 27 11.304 -4.032 3.877 185 HE3 LYS 27 HE2 LYS 27 9.704 -3.349 3.534 186 HZ1 LYS 27 HZ1 LYS 27 10.185 -3.343 5.862 187 HZ2 LYS 27 HZ2 LYS 27 10.405 -4.978 5.872 188 HZ3 LYS 27 HZ3 LYS 27 8.915 -4.348 5.553 189 H TRP 28 H TRP 28 11.070 -6.527 -2.742 190 HA TRP 28 HA TRP 28 13.723 -5.743 -1.877 191 HB2 TRP 28 HB3 TRP 28 14.974 -7.368 -3.022 192 HB3 TRP 28 HB2 TRP 28 13.905 -8.195 -1.926 193 HD1 TRP 28 HD1 TRP 28 11.743 -7.701 -4.811 194 HE1 TRP 28 HE1 TRP 28 11.799 -9.633 -6.426 195 HE3 TRP 28 HE3 TRP 28 15.959 -10.001 -3.085 196 HZ2 TRP 28 HZ2 TRP 28 13.486 -11.954 -6.942 197 HZ3 TRP 28 HZ3 TRP 28 16.777 -12.077 -4.167 198 HH2 TRP 28 HH2 TRP 28 15.552 -13.059 -6.092 199 H CYS 29 H CYS 29 15.013 -4.840 -3.579 200 HA CYS 29 HA CYS 29 13.514 -3.123 -5.292 201 HB2 CYS 29 HB3 CYS 29 16.465 -3.795 -5.236 202 HB3 CYS 29 HB2 CYS 29 15.741 -2.409 -6.051 203 H LYS 30 H LYS 30 12.781 -3.418 -7.312 204 HA LYS 30 HA LYS 30 14.040 -5.380 -9.095 205 HB2 LYS 30 HB3 LYS 30 11.865 -6.346 -9.726 206 HB3 LYS 30 HB2 LYS 30 12.423 -6.762 -8.110 207 HG2 LYS 30 HG3 LYS 30 10.817 -5.281 -7.082 208 HG3 LYS 30 HG2 LYS 30 10.388 -4.553 -8.634 209 HD2 LYS 30 HD3 LYS 30 8.681 -6.157 -7.836 210 HD3 LYS 30 HD2 LYS 30 9.358 -6.593 -9.407 211 HE2 LYS 30 HE3 LYS 30 10.799 -8.288 -8.368 212 HE3 LYS 30 HE2 LYS 30 10.223 -7.826 -6.757 213 HZ1 LYS 30 HZ1 LYS 30 8.572 -8.928 -8.918 214 HZ2 LYS 30 HZ2 LYS 30 8.033 -8.499 -7.419 215 HZ3 LYS 30 HZ3 LYS 30 9.098 -9.747 -7.585 216 H VAL 31 H VAL 31 13.745 -5.074 -11.238 217 HA VAL 31 HA VAL 31 13.925 -2.371 -11.952 218 HB VAL 31 HB VAL 31 13.743 -4.841 -13.713 219 HG11 VAL 31 HG11 VAL 31 14.763 -2.035 -14.352 220 HG12 VAL 31 HG12 VAL 31 13.323 -2.807 -15.057 221 HG13 VAL 31 HG13 VAL 31 14.929 -3.454 -15.407 222 HG21 VAL 31 HG21 VAL 31 16.207 -4.695 -13.788 223 HG22 VAL 31 HG22 VAL 31 16.177 -3.300 -12.690 224 HG23 VAL 31 HG23 VAL 31 15.658 -4.901 -12.126 225 H LEU 32 H LEU 32 12.324 -1.002 -11.929 226 HA LEU 32 HA LEU 32 9.726 -1.537 -13.152 227 HB2 LEU 32 HB3 LEU 32 9.942 -0.038 -11.193 228 HB3 LEU 32 HB2 LEU 32 10.999 1.024 -12.109 229 HG LEU 32 HG LEU 32 9.090 1.470 -13.697 230 HD11 LEU 32 HD11 LEU 32 6.785 0.853 -12.980 231 HD12 LEU 32 HD12 LEU 32 7.467 -0.172 -11.700 232 HD13 LEU 32 HD13 LEU 32 7.744 -0.564 -13.412 233 HD21 LEU 32 HD21 LEU 32 8.505 2.025 -10.756 234 HD22 LEU 32 HD22 LEU 32 9.575 2.980 -11.807 235 HD23 LEU 32 HD23 LEU 32 7.838 2.913 -12.144 236 H LEU 33 H LEU 33 12.518 0.525 -13.689 237 HA LEU 33 HA LEU 33 11.908 0.799 -16.598 238 HB2 LEU 33 HB3 LEU 33 13.374 2.721 -14.752 239 HB3 LEU 33 HB2 LEU 33 13.042 2.967 -16.464 240 HG LEU 33 HG LEU 33 10.966 2.808 -14.233 241 HD11 LEU 33 HD11 LEU 33 11.927 5.171 -15.894 242 HD12 LEU 33 HD12 LEU 33 12.318 4.863 -14.187 243 HD13 LEU 33 HD13 LEU 33 10.646 5.203 -14.662 244 HD21 LEU 33 HD21 LEU 33 9.336 3.567 -15.956 245 HD22 LEU 33 HD22 LEU 33 9.970 1.961 -16.323 246 HD23 LEU 33 HD23 LEU 33 10.582 3.375 -17.210 247 HN1 NH2 34 HN1 AMD 34 13.225 -0.470 -17.776 248 HN2 NH2 34 HN2 AMD 34 14.920 -0.754 -17.450 Start of MODEL 8 1 H1 GLU 1 H1 AMN 0 24.932 2.380 1.113 2 H2 GLU 1 H2 AMN 0 25.918 3.670 0.828 3 H3 GLU 1 H3 AMN 0 24.316 3.909 1.139 4 HA GLU 1 HA GLU 1 24.771 4.213 -1.153 5 HB2 GLU 1 HB3 GLU 1 25.544 2.396 -2.549 6 HB3 GLU 1 HB2 GLU 1 26.727 2.755 -1.293 7 HG2 GLU 1 HG3 GLU 1 25.965 0.784 0.010 8 HG3 GLU 1 HG2 GLU 1 24.739 0.433 -1.215 9 H CYS 2 H CYS 2 23.336 3.535 -2.867 10 HA CYS 2 HA CYS 2 20.730 2.845 -1.983 11 HB2 CYS 2 HB3 CYS 2 20.114 3.026 -4.297 12 HB3 CYS 2 HB2 CYS 2 21.241 4.306 -3.891 13 H LYS 3 H LYS 3 19.453 1.038 -2.457 14 HA LYS 3 HA LYS 3 20.855 -1.516 -2.236 15 HB2 LYS 3 HB3 LYS 3 17.931 -0.687 -2.176 16 HB3 LYS 3 HB2 LYS 3 18.472 -2.355 -1.979 17 HG2 LYS 3 HG3 LYS 3 19.288 -0.037 -0.176 18 HG3 LYS 3 HG2 LYS 3 17.955 -1.150 0.152 19 HD2 LYS 3 HD3 LYS 3 19.567 -3.039 0.193 20 HD3 LYS 3 HD2 LYS 3 20.905 -1.895 -0.035 21 HE2 LYS 3 HE3 LYS 3 18.926 -1.837 2.279 22 HE3 LYS 3 HE2 LYS 3 20.547 -2.550 2.347 23 HZ1 LYS 3 HZ1 LYS 3 20.524 -0.343 3.222 24 HZ2 LYS 3 HZ2 LYS 3 19.951 0.270 1.802 25 HZ3 LYS 3 HZ3 LYS 3 21.455 -0.402 1.862 26 H GLY 4 H GLY 4 21.489 -2.620 -3.980 27 HA2 GLY 4 HA2 GLY 4 20.670 -1.982 -6.652 28 HA3 GLY 4 HA3 GLY 4 21.729 -3.300 -6.130 29 H PHE 5 H PHE 5 20.210 -3.974 -8.169 30 HA PHE 5 HA PHE 5 17.588 -4.779 -7.791 31 HB2 PHE 5 HB3 PHE 5 18.655 -4.417 -9.944 32 HB3 PHE 5 HB2 PHE 5 19.853 -5.665 -9.620 33 HD1 PHE 5 HD1 PHE 5 16.098 -5.369 -9.497 34 HD2 PHE 5 HD2 PHE 5 19.524 -7.665 -10.767 35 HE1 PHE 5 HE1 PHE 5 14.591 -7.145 -10.364 36 HE2 PHE 5 HE2 PHE 5 18.012 -9.417 -11.661 37 HZ PHE 5 HZ PHE 5 15.557 -9.153 -11.441 38 H GLY 6 H GLY 6 16.768 -6.296 -6.562 39 HA2 GLY 6 HA2 GLY 6 16.371 -8.332 -5.630 40 HA3 GLY 6 HA3 GLY 6 17.893 -8.958 -6.274 41 H LYS 7 H LYS 7 17.458 -6.035 -4.236 42 HA LYS 7 HA LYS 7 18.678 -7.427 -1.915 43 HB2 LYS 7 HB3 LYS 7 20.290 -6.010 -3.318 44 HB3 LYS 7 HB2 LYS 7 19.397 -4.595 -2.732 45 HG2 LYS 7 HG3 LYS 7 19.909 -5.291 -0.386 46 HG3 LYS 7 HG2 LYS 7 20.789 -6.700 -1.010 47 HD2 LYS 7 HD3 LYS 7 22.302 -5.147 -2.274 48 HD3 LYS 7 HD2 LYS 7 21.491 -3.772 -1.514 49 HE2 LYS 7 HE3 LYS 7 22.973 -6.002 -0.050 50 HE3 LYS 7 HE2 LYS 7 23.634 -4.397 -0.403 51 HZ1 LYS 7 HZ1 LYS 7 22.801 -4.535 1.813 52 HZ2 LYS 7 HZ2 LYS 7 21.295 -4.941 1.278 53 HZ3 LYS 7 HZ3 LYS 7 21.914 -3.450 0.944 54 H SER 8 H SER 8 17.800 -6.987 -0.015 55 HA SER 8 HA SER 8 15.113 -6.218 0.078 56 HB2 SER 8 HB3 SER 8 17.144 -6.592 2.314 57 HB3 SER 8 HB2 SER 8 15.390 -6.464 2.545 58 HG SER 8 HG SER 8 15.162 -8.292 1.188 59 H CYS 9 H CYS 9 14.092 -4.367 0.293 60 HA CYS 9 HA CYS 9 15.585 -1.870 0.557 61 HB2 CYS 9 HB3 CYS 9 13.585 -0.823 -0.197 62 HB3 CYS 9 HB2 CYS 9 13.851 -2.235 -1.183 63 H VAL 10 H VAL 10 14.679 -0.117 1.740 64 HA VAL 10 HA VAL 10 13.561 -0.558 4.418 65 HB VAL 10 HB VAL 10 14.433 1.827 2.746 66 HG11 VAL 10 HG11 VAL 10 12.956 2.021 5.399 67 HG12 VAL 10 HG12 VAL 10 12.385 2.616 3.822 68 HG13 VAL 10 HG13 VAL 10 13.799 3.349 4.572 69 HG21 VAL 10 HG21 VAL 10 15.241 0.866 5.532 70 HG22 VAL 10 HG22 VAL 10 15.972 2.211 4.627 71 HG23 VAL 10 HG23 VAL 10 16.153 0.547 4.044 72 HA PRO 11 HA PRO 11 9.454 -0.300 2.486 73 HB2 PRO 11 HB3 PRO 11 7.887 0.069 4.704 74 HB3 PRO 11 HB2 PRO 11 8.630 -1.496 4.263 75 HG2 PRO 11 HG3 PRO 11 9.626 0.541 6.270 76 HG3 PRO 11 HG2 PRO 11 9.517 -1.238 6.451 77 HD2 PRO 11 HD3 PRO 11 11.835 0.069 5.768 78 HD3 PRO 11 HD2 PRO 11 11.462 -1.573 5.184 79 H GLY 12 H GLY 12 9.645 1.466 1.289 80 HA2 GLY 12 HA2 GLY 12 8.473 3.949 1.701 81 HA3 GLY 12 HA3 GLY 12 10.193 4.083 2.146 82 H LYS 13 H LYS 13 10.963 1.870 0.319 83 HA LYS 13 HA LYS 13 11.701 1.388 -1.655 84 HB2 LYS 13 HB3 LYS 13 9.822 3.290 -3.086 85 HB3 LYS 13 HB2 LYS 13 10.547 1.792 -3.665 86 HG2 LYS 13 HG3 LYS 13 9.088 0.587 -1.904 87 HG3 LYS 13 HG2 LYS 13 8.251 2.126 -1.691 88 HD2 LYS 13 HD3 LYS 13 7.684 2.162 -4.109 89 HD3 LYS 13 HD2 LYS 13 8.493 0.591 -4.305 90 HE2 LYS 13 HE3 LYS 13 6.935 -0.407 -2.649 91 HE3 LYS 13 HE2 LYS 13 6.110 1.157 -2.494 92 HZ1 LYS 13 HZ1 LYS 13 5.560 1.021 -4.813 93 HZ2 LYS 13 HZ2 LYS 13 4.984 -0.297 -4.005 94 HZ3 LYS 13 HZ3 LYS 13 6.327 -0.433 -4.953 95 H ASN 14 H ASN 14 12.188 4.034 -0.083 96 HA ASN 14 HA ASN 14 13.162 5.927 -1.899 97 HB2 ASN 14 HB3 ASN 14 14.043 7.070 0.087 98 HB3 ASN 14 HB2 ASN 14 12.382 6.540 0.311 99 HD21 ASN 14 HD21 ASN 14 15.558 6.477 1.619 100 HD22 ASN 14 HD22 ASN 14 15.277 5.311 2.893 101 H GLU 15 H GLU 15 14.681 3.195 -0.245 102 HA GLU 15 HA GLU 15 17.410 4.030 -0.610 103 HB2 GLU 15 HB3 GLU 15 16.095 1.391 0.112 104 HB3 GLU 15 HB2 GLU 15 17.837 1.569 -0.070 105 HG2 GLU 15 HG3 GLU 15 16.164 3.163 1.898 106 HG3 GLU 15 HG2 GLU 15 17.140 1.739 2.276 107 H CYS 16 H CYS 16 15.239 1.914 -2.563 108 HA CYS 16 HA CYS 16 17.158 0.555 -3.997 109 HB2 CYS 16 HB3 CYS 16 14.440 1.496 -4.963 110 HB3 CYS 16 HB2 CYS 16 15.422 0.228 -5.696 111 H CYS 17 H CYS 17 18.407 0.869 -5.759 112 HA CYS 17 HA CYS 17 19.315 3.445 -6.428 113 HB2 CYS 17 HB3 CYS 17 19.670 0.844 -7.957 114 HB3 CYS 17 HB2 CYS 17 20.643 2.286 -8.151 115 H SER 18 H SER 18 19.652 4.118 -8.784 116 HA SER 18 HA SER 18 17.211 4.972 -9.898 117 HB2 SER 18 HB3 SER 18 18.620 5.811 -11.749 118 HB3 SER 18 HB2 SER 18 19.221 6.255 -10.145 119 HG SER 18 HG SER 18 20.879 5.532 -11.535 120 H GLY 19 H GLY 19 15.752 3.788 -10.836 121 HA2 GLY 19 HA2 GLY 19 14.919 2.761 -12.806 122 HA3 GLY 19 HA3 GLY 19 16.436 1.882 -13.008 123 H LEU 20 H LEU 20 15.095 2.089 -9.787 124 HA LEU 20 HA LEU 20 13.927 -0.638 -9.919 125 HB2 LEU 20 HB3 LEU 20 15.795 0.427 -7.783 126 HB3 LEU 20 HB2 LEU 20 15.018 -1.150 -7.770 127 HG LEU 20 HG LEU 20 17.095 -0.250 -9.804 128 HD11 LEU 20 HD11 LEU 20 17.950 -0.443 -7.461 129 HD12 LEU 20 HD12 LEU 20 18.677 -1.612 -8.575 130 HD13 LEU 20 HD13 LEU 20 17.415 -2.129 -7.432 131 HD21 LEU 20 HD21 LEU 20 15.918 -3.012 -9.241 132 HD22 LEU 20 HD22 LEU 20 17.260 -2.660 -10.358 133 HD23 LEU 20 HD23 LEU 20 15.654 -2.032 -10.698 134 H THR 21 H THR 21 12.567 -1.118 -8.159 135 HA THR 21 HA THR 21 11.578 0.915 -6.341 136 HB THR 21 HB THR 21 10.341 1.460 -8.415 137 HG1 THR 21 HG1 THR 21 9.383 1.688 -6.369 138 HG21 THR 21 HG21 THR 21 10.246 -0.831 -9.457 139 HG22 THR 21 HG22 THR 21 8.681 -0.005 -9.395 140 HG23 THR 21 HG23 THR 21 9.039 -1.295 -8.238 141 H CYS 22 H CYS 22 10.808 -0.089 -4.471 142 HA CYS 22 HA CYS 22 11.406 -2.868 -4.279 143 HB2 CYS 22 HB3 CYS 22 11.705 -1.102 -2.488 144 HB3 CYS 22 HB2 CYS 22 9.974 -1.286 -2.157 145 H SER 23 H SER 23 10.201 -4.593 -4.472 146 HA SER 23 HA SER 23 7.617 -4.685 -5.522 147 HB2 SER 23 HB3 SER 23 9.458 -6.404 -5.646 148 HB3 SER 23 HB2 SER 23 9.132 -6.827 -3.969 149 HG SER 23 HG SER 23 7.283 -6.947 -6.124 150 H ASN 24 H ASN 24 5.607 -5.040 -4.674 151 HA ASN 24 HA ASN 24 5.051 -4.718 -1.850 152 HB2 ASN 24 HB3 ASN 24 2.756 -5.056 -2.460 153 HB3 ASN 24 HB2 ASN 24 3.500 -3.943 -3.601 154 HD21 ASN 24 HD21 ASN 24 1.546 -6.695 -3.311 155 HD22 ASN 24 HD22 ASN 24 1.641 -7.269 -4.961 156 H LYS 25 H LYS 25 5.456 -7.436 -4.107 157 HA LYS 25 HA LYS 25 4.432 -9.477 -2.311 158 HB2 LYS 25 HB3 LYS 25 5.890 -9.546 -4.985 159 HB3 LYS 25 HB2 LYS 25 5.439 -11.000 -4.088 160 HG2 LYS 25 HG3 LYS 25 3.058 -10.363 -4.187 161 HG3 LYS 25 HG2 LYS 25 3.472 -8.898 -5.096 162 HD2 LYS 25 HD3 LYS 25 4.457 -10.283 -6.902 163 HD3 LYS 25 HD2 LYS 25 4.014 -11.755 -6.007 164 HE2 LYS 25 HE3 LYS 25 1.629 -11.104 -6.118 165 HE3 LYS 25 HE2 LYS 25 2.069 -9.627 -6.998 166 HZ1 LYS 25 HZ1 LYS 25 2.533 -12.373 -7.925 167 HZ2 LYS 25 HZ2 LYS 25 2.939 -11.000 -8.742 168 HZ3 LYS 25 HZ3 LYS 25 1.353 -11.357 -8.467 169 H HIS 26 H HIS 26 7.655 -9.168 -3.856 170 HA HIS 26 HA HIS 26 8.906 -10.977 -2.076 171 HB2 HIS 26 HB3 HIS 26 10.100 -8.985 -4.035 172 HB3 HIS 26 HB2 HIS 26 10.936 -10.375 -3.340 173 HD1 HIS 26 HD1 HIS 26 8.383 -9.494 -6.029 174 HD2 HIS 26 HD2 HIS 26 10.267 -12.832 -4.310 175 HE1 HIS 26 HE1 HIS 26 7.914 -11.473 -7.571 176 H LYS 27 H LYS 27 8.483 -7.515 -1.853 177 HA LYS 27 HA LYS 27 9.476 -5.828 -0.822 178 HB2 LYS 27 HB3 LYS 27 8.392 -7.129 1.058 179 HB3 LYS 27 HB2 LYS 27 10.009 -7.701 1.494 180 HG2 LYS 27 HG3 LYS 27 10.739 -5.305 1.736 181 HG3 LYS 27 HG2 LYS 27 9.101 -4.784 1.304 182 HD2 LYS 27 HD3 LYS 27 8.200 -6.000 3.278 183 HD3 LYS 27 HD2 LYS 27 9.842 -6.486 3.732 184 HE2 LYS 27 HE3 LYS 27 8.869 -3.607 3.477 185 HE3 LYS 27 HE2 LYS 27 8.988 -4.506 5.000 186 HZ1 LYS 27 HZ1 LYS 27 10.885 -3.129 4.647 187 HZ2 LYS 27 HZ2 LYS 27 11.229 -3.874 3.217 188 HZ3 LYS 27 HZ3 LYS 27 11.331 -4.716 4.632 189 H TRP 28 H TRP 28 11.031 -6.529 -2.700 190 HA TRP 28 HA TRP 28 13.589 -5.665 -1.658 191 HB2 TRP 28 HB3 TRP 28 14.976 -7.224 -2.711 192 HB3 TRP 28 HB2 TRP 28 13.849 -8.128 -1.742 193 HD1 TRP 28 HD1 TRP 28 11.941 -7.598 -4.810 194 HE1 TRP 28 HE1 TRP 28 12.226 -9.454 -6.480 195 HE3 TRP 28 HE3 TRP 28 16.027 -9.858 -2.738 196 HZ2 TRP 28 HZ2 TRP 28 14.007 -11.723 -6.890 197 HZ3 TRP 28 HZ3 TRP 28 16.996 -11.881 -3.793 198 HH2 TRP 28 HH2 TRP 28 15.997 -12.819 -5.865 199 H CYS 29 H CYS 29 14.992 -4.790 -3.401 200 HA CYS 29 HA CYS 29 13.489 -3.086 -5.139 201 HB2 CYS 29 HB3 CYS 29 16.437 -3.743 -5.080 202 HB3 CYS 29 HB2 CYS 29 15.703 -2.377 -5.923 203 H LYS 30 H LYS 30 12.724 -3.446 -7.119 204 HA LYS 30 HA LYS 30 13.995 -5.423 -8.897 205 HB2 LYS 30 HB3 LYS 30 11.811 -6.282 -9.614 206 HB3 LYS 30 HB2 LYS 30 12.223 -6.711 -7.956 207 HG2 LYS 30 HG3 LYS 30 10.648 -5.170 -7.047 208 HG3 LYS 30 HG2 LYS 30 10.442 -4.325 -8.578 209 HD2 LYS 30 HD3 LYS 30 8.514 -5.786 -7.973 210 HD3 LYS 30 HD2 LYS 30 9.220 -6.101 -9.559 211 HE2 LYS 30 HE3 LYS 30 10.410 -8.065 -8.690 212 HE3 LYS 30 HE2 LYS 30 9.780 -7.754 -7.063 213 HZ1 LYS 30 HZ1 LYS 30 8.503 -9.399 -8.209 214 HZ2 LYS 30 HZ2 LYS 30 8.167 -8.354 -9.441 215 HZ3 LYS 30 HZ3 LYS 30 7.578 -8.064 -7.928 216 H VAL 31 H VAL 31 13.521 -5.121 -11.127 217 HA VAL 31 HA VAL 31 13.973 -2.469 -11.838 218 HB VAL 31 HB VAL 31 13.063 -4.617 -13.771 219 HG11 VAL 31 HG11 VAL 31 13.338 -2.290 -14.652 220 HG12 VAL 31 HG12 VAL 31 14.528 -3.406 -15.336 221 HG13 VAL 31 HG13 VAL 31 15.006 -2.273 -14.052 222 HG21 VAL 31 HG21 VAL 31 15.509 -5.167 -14.016 223 HG22 VAL 31 HG22 VAL 31 15.836 -4.198 -12.561 224 HG23 VAL 31 HG23 VAL 31 14.825 -5.661 -12.472 225 H LEU 32 H LEU 32 12.726 -0.812 -11.918 226 HA LEU 32 HA LEU 32 9.929 -0.706 -11.793 227 HB2 LEU 32 HB3 LEU 32 11.316 1.118 -11.055 228 HB3 LEU 32 HB2 LEU 32 12.090 1.248 -12.617 229 HG LEU 32 HG LEU 32 9.927 2.077 -13.591 230 HD11 LEU 32 HD11 LEU 32 8.103 2.775 -12.079 231 HD12 LEU 32 HD12 LEU 32 8.956 2.066 -10.693 232 HD13 LEU 32 HD13 LEU 32 8.331 1.025 -11.991 233 HD21 LEU 32 HD21 LEU 32 10.024 4.297 -12.531 234 HD22 LEU 32 HD22 LEU 32 10.935 3.620 -11.163 235 HD23 LEU 32 HD23 LEU 32 11.650 3.644 -12.790 236 H LEU 33 H LEU 33 12.103 -0.513 -14.529 237 HA LEU 33 HA LEU 33 10.095 -0.200 -16.599 238 HB2 LEU 33 HB3 LEU 33 12.985 -1.163 -16.714 239 HB3 LEU 33 HB2 LEU 33 11.974 -0.857 -18.120 240 HG LEU 33 HG LEU 33 12.826 1.259 -16.085 241 HD11 LEU 33 HD11 LEU 33 14.697 0.413 -17.449 242 HD12 LEU 33 HD12 LEU 33 14.282 2.078 -17.889 243 HD13 LEU 33 HD13 LEU 33 13.773 0.733 -18.934 244 HD21 LEU 33 HD21 LEU 33 11.961 2.880 -17.770 245 HD22 LEU 33 HD22 LEU 33 10.674 1.884 -17.087 246 HD23 LEU 33 HD23 LEU 33 11.298 1.529 -18.714 247 HN1 NH2 34 HN1 AMD 34 8.729 -1.730 -17.326 248 HN2 NH2 34 HN2 AMD 34 8.955 -3.457 -17.166 Start of MODEL 9 1 H1 GLU 1 H1 AMN 0 23.957 4.054 1.395 2 H2 GLU 1 H2 AMN 0 24.999 5.193 0.813 3 H3 GLU 1 H3 AMN 0 23.376 5.363 0.576 4 HA GLU 1 HA GLU 1 24.435 4.688 -1.412 5 HB2 GLU 1 HB3 GLU 1 25.510 2.516 -1.605 6 HB3 GLU 1 HB2 GLU 1 26.346 3.565 -0.462 7 HG2 GLU 1 HG3 GLU 1 25.258 2.333 1.434 8 HG3 GLU 1 HG2 GLU 1 24.498 1.246 0.262 9 H CYS 2 H CYS 2 23.122 3.865 -2.907 10 HA CYS 2 HA CYS 2 20.507 3.045 -2.113 11 HB2 CYS 2 HB3 CYS 2 19.994 3.098 -4.450 12 HB3 CYS 2 HB2 CYS 2 21.014 4.467 -4.056 13 H LYS 3 H LYS 3 19.399 1.130 -2.552 14 HA LYS 3 HA LYS 3 20.992 -1.315 -2.263 15 HB2 LYS 3 HB3 LYS 3 18.029 -0.649 -2.146 16 HB3 LYS 3 HB2 LYS 3 18.621 -2.302 -2.062 17 HG2 LYS 3 HG3 LYS 3 19.465 -0.102 -0.127 18 HG3 LYS 3 HG2 LYS 3 18.135 -1.232 0.156 19 HD2 LYS 3 HD3 LYS 3 19.713 -3.131 0.073 20 HD3 LYS 3 HD2 LYS 3 21.065 -2.002 -0.182 21 HE2 LYS 3 HE3 LYS 3 20.518 -0.883 1.962 22 HE3 LYS 3 HE2 LYS 3 19.192 -2.035 2.219 23 HZ1 LYS 3 HZ1 LYS 3 22.038 -2.719 1.990 24 HZ2 LYS 3 HZ2 LYS 3 20.807 -3.792 2.224 25 HZ3 LYS 3 HZ3 LYS 3 21.161 -2.677 3.387 26 H GLY 4 H GLY 4 21.625 -2.514 -3.936 27 HA2 GLY 4 HA2 GLY 4 20.847 -2.005 -6.640 28 HA3 GLY 4 HA3 GLY 4 21.868 -3.320 -6.039 29 H PHE 5 H PHE 5 20.275 -3.929 -8.097 30 HA PHE 5 HA PHE 5 17.666 -4.729 -7.705 31 HB2 PHE 5 HB3 PHE 5 18.814 -4.313 -9.830 32 HB3 PHE 5 HB2 PHE 5 19.942 -5.616 -9.518 33 HD1 PHE 5 HD1 PHE 5 16.177 -5.522 -9.198 34 HD2 PHE 5 HD2 PHE 5 19.628 -7.186 -11.193 35 HE1 PHE 5 HE1 PHE 5 14.722 -7.154 -10.368 36 HE2 PHE 5 HE2 PHE 5 18.159 -8.793 -12.377 37 HZ PHE 5 HZ PHE 5 15.717 -8.775 -11.950 38 H GLY 6 H GLY 6 16.918 -6.177 -6.317 39 HA2 GLY 6 HA2 GLY 6 16.541 -8.480 -5.824 40 HA3 GLY 6 HA3 GLY 6 18.271 -8.802 -5.930 41 H LYS 7 H LYS 7 18.554 -6.064 -4.313 42 HA LYS 7 HA LYS 7 18.855 -7.366 -1.743 43 HB2 LYS 7 HB3 LYS 7 19.196 -4.464 -2.593 44 HB3 LYS 7 HB2 LYS 7 19.656 -5.126 -1.031 45 HG2 LYS 7 HG3 LYS 7 20.875 -5.973 -3.695 46 HG3 LYS 7 HG2 LYS 7 21.575 -4.823 -2.551 47 HD2 LYS 7 HD3 LYS 7 21.617 -6.621 -0.800 48 HD3 LYS 7 HD2 LYS 7 21.047 -7.782 -2.021 49 HE2 LYS 7 HE3 LYS 7 23.035 -7.321 -3.404 50 HE3 LYS 7 HE2 LYS 7 23.601 -6.136 -2.210 51 HZ1 LYS 7 HZ1 LYS 7 23.206 -9.002 -1.718 52 HZ2 LYS 7 HZ2 LYS 7 23.729 -7.899 -0.611 53 HZ3 LYS 7 HZ3 LYS 7 24.658 -8.248 -1.928 54 H SER 8 H SER 8 17.588 -7.271 -0.002 55 HA SER 8 HA SER 8 14.888 -6.424 -0.103 56 HB2 SER 8 HB3 SER 8 16.695 -7.169 2.228 57 HB3 SER 8 HB2 SER 8 14.942 -6.913 2.348 58 HG SER 8 HG SER 8 16.231 -8.811 0.680 59 H CYS 9 H CYS 9 14.007 -4.513 0.155 60 HA CYS 9 HA CYS 9 15.687 -2.182 0.617 61 HB2 CYS 9 HB3 CYS 9 13.830 -0.953 -0.239 62 HB3 CYS 9 HB2 CYS 9 14.003 -2.380 -1.225 63 H VAL 10 H VAL 10 14.752 -0.338 1.759 64 HA VAL 10 HA VAL 10 13.521 -0.765 4.383 65 HB VAL 10 HB VAL 10 14.334 1.649 2.721 66 HG11 VAL 10 HG11 VAL 10 12.856 1.704 5.380 67 HG12 VAL 10 HG12 VAL 10 12.279 2.347 3.826 68 HG13 VAL 10 HG13 VAL 10 13.662 3.097 4.618 69 HG21 VAL 10 HG21 VAL 10 15.890 2.071 4.569 70 HG22 VAL 10 HG22 VAL 10 16.124 0.417 3.983 71 HG23 VAL 10 HG23 VAL 10 15.223 0.699 5.484 72 HA PRO 11 HA PRO 11 9.483 -0.627 2.256 73 HB2 PRO 11 HB3 PRO 11 7.825 -0.449 4.436 74 HB3 PRO 11 HB2 PRO 11 8.627 -1.960 3.913 75 HG2 PRO 11 HG3 PRO 11 9.508 -0.037 6.082 76 HG3 PRO 11 HG2 PRO 11 9.428 -1.826 6.148 77 HD2 PRO 11 HD3 PRO 11 11.744 -0.464 5.637 78 HD3 PRO 11 HD2 PRO 11 11.400 -2.051 4.886 79 H GLY 12 H GLY 12 9.561 1.198 1.172 80 HA2 GLY 12 HA2 GLY 12 8.344 3.633 1.706 81 HA3 GLY 12 HA3 GLY 12 10.058 3.775 2.173 82 H LYS 13 H LYS 13 10.887 1.677 0.253 83 HA LYS 13 HA LYS 13 11.623 1.275 -1.730 84 HB2 LYS 13 HB3 LYS 13 9.724 3.203 -3.101 85 HB3 LYS 13 HB2 LYS 13 10.463 1.732 -3.729 86 HG2 LYS 13 HG3 LYS 13 9.003 0.449 -2.030 87 HG3 LYS 13 HG2 LYS 13 8.160 1.972 -1.748 88 HD2 LYS 13 HD3 LYS 13 7.589 2.115 -4.160 89 HD3 LYS 13 HD2 LYS 13 8.416 0.565 -4.433 90 HE2 LYS 13 HE3 LYS 13 6.869 -0.523 -2.812 91 HE3 LYS 13 HE2 LYS 13 6.023 1.022 -2.602 92 HZ1 LYS 13 HZ1 LYS 13 5.481 0.966 -4.925 93 HZ2 LYS 13 HZ2 LYS 13 4.923 -0.390 -4.170 94 HZ3 LYS 13 HZ3 LYS 13 6.270 -0.470 -5.119 95 H ASN 14 H ASN 14 12.096 3.862 -0.071 96 HA ASN 14 HA ASN 14 13.076 5.824 -1.802 97 HB2 ASN 14 HB3 ASN 14 14.031 6.838 0.232 98 HB3 ASN 14 HB2 ASN 14 12.356 6.346 0.445 99 HD21 ASN 14 HD21 ASN 14 15.612 5.986 1.606 100 HD22 ASN 14 HD22 ASN 14 15.282 4.802 2.851 101 H GLU 15 H GLU 15 14.572 2.976 -0.352 102 HA GLU 15 HA GLU 15 17.303 3.758 -0.621 103 HB2 GLU 15 HB3 GLU 15 15.879 1.108 -0.220 104 HB3 GLU 15 HB2 GLU 15 17.622 1.194 -0.445 105 HG2 GLU 15 HG3 GLU 15 16.125 2.673 1.743 106 HG3 GLU 15 HG2 GLU 15 16.967 1.129 1.937 107 H CYS 16 H CYS 16 15.247 1.650 -2.724 108 HA CYS 16 HA CYS 16 17.249 0.509 -4.148 109 HB2 CYS 16 HB3 CYS 16 14.491 1.219 -5.179 110 HB3 CYS 16 HB2 CYS 16 15.574 0.001 -5.852 111 H CYS 17 H CYS 17 18.465 0.852 -5.932 112 HA CYS 17 HA CYS 17 19.247 3.472 -6.590 113 HB2 CYS 17 HB3 CYS 17 19.799 0.886 -8.087 114 HB3 CYS 17 HB2 CYS 17 20.709 2.374 -8.239 115 H SER 18 H SER 18 19.685 3.997 -9.036 116 HA SER 18 HA SER 18 17.268 4.883 -10.186 117 HB2 SER 18 HB3 SER 18 20.063 4.630 -11.367 118 HB3 SER 18 HB2 SER 18 18.722 5.537 -12.095 119 HG SER 18 HG SER 18 19.854 6.003 -9.535 120 H GLY 19 H GLY 19 15.773 3.680 -11.080 121 HA2 GLY 19 HA2 GLY 19 14.872 2.558 -12.935 122 HA3 GLY 19 HA3 GLY 19 16.407 1.729 -13.215 123 H LEU 20 H LEU 20 15.034 1.999 -9.981 124 HA LEU 20 HA LEU 20 13.968 -0.761 -10.003 125 HB2 LEU 20 HB3 LEU 20 15.898 0.383 -7.959 126 HB3 LEU 20 HB2 LEU 20 15.088 -1.172 -7.819 127 HG LEU 20 HG LEU 20 17.057 -0.494 -10.038 128 HD11 LEU 20 HD11 LEU 20 18.721 -1.730 -8.783 129 HD12 LEU 20 HD12 LEU 20 17.554 -2.074 -7.485 130 HD13 LEU 20 HD13 LEU 20 18.094 -0.416 -7.776 131 HD21 LEU 20 HD21 LEU 20 15.482 -2.359 -10.551 132 HD22 LEU 20 HD22 LEU 20 15.974 -3.179 -9.059 133 HD23 LEU 20 HD23 LEU 20 17.138 -2.923 -10.383 134 H THR 21 H THR 21 12.708 -1.206 -8.086 135 HA THR 21 HA THR 21 11.629 0.872 -6.430 136 HB THR 21 HB THR 21 10.435 1.400 -8.533 137 HG1 THR 21 HG1 THR 21 9.455 1.659 -6.503 138 HG21 THR 21 HG21 THR 21 10.326 -0.913 -9.543 139 HG22 THR 21 HG22 THR 21 8.780 -0.052 -9.527 140 HG23 THR 21 HG23 THR 21 9.084 -1.330 -8.343 141 H CYS 22 H CYS 22 10.916 -0.121 -4.556 142 HA CYS 22 HA CYS 22 11.488 -2.904 -4.388 143 HB2 CYS 22 HB3 CYS 22 11.889 -1.164 -2.619 144 HB3 CYS 22 HB2 CYS 22 10.164 -1.261 -2.239 145 H SER 23 H SER 23 10.256 -4.625 -4.471 146 HA SER 23 HA SER 23 7.632 -4.731 -5.432 147 HB2 SER 23 HB3 SER 23 9.392 -6.498 -5.607 148 HB3 SER 23 HB2 SER 23 9.240 -6.808 -3.877 149 HG SER 23 HG SER 23 7.983 -8.234 -5.151 150 H ASN 24 H ASN 24 5.659 -4.847 -4.472 151 HA ASN 24 HA ASN 24 5.244 -4.298 -1.683 152 HB2 ASN 24 HB3 ASN 24 2.893 -4.673 -2.182 153 HB3 ASN 24 HB2 ASN 24 3.635 -3.616 -3.375 154 HD21 ASN 24 HD21 ASN 24 1.843 -6.534 -2.883 155 HD22 ASN 24 HD22 ASN 24 1.824 -7.081 -4.544 156 H LYS 25 H LYS 25 5.212 -7.264 -3.683 157 HA LYS 25 HA LYS 25 4.256 -8.992 -1.613 158 HB2 LYS 25 HB3 LYS 25 3.911 -9.193 -4.088 159 HB3 LYS 25 HB2 LYS 25 5.585 -9.683 -4.274 160 HG2 LYS 25 HG3 LYS 25 3.498 -11.147 -2.581 161 HG3 LYS 25 HG2 LYS 25 3.879 -11.520 -4.263 162 HD2 LYS 25 HD3 LYS 25 6.264 -11.975 -3.562 163 HD3 LYS 25 HD2 LYS 25 5.730 -11.845 -1.871 164 HE2 LYS 25 HE3 LYS 25 4.095 -13.650 -2.237 165 HE3 LYS 25 HE2 LYS 25 4.606 -13.777 -3.932 166 HZ1 LYS 25 HZ1 LYS 25 5.661 -15.412 -2.568 167 HZ2 LYS 25 HZ2 LYS 25 6.311 -14.252 -1.592 168 HZ3 LYS 25 HZ3 LYS 25 6.786 -14.365 -3.168 169 H HIS 26 H HIS 26 7.407 -9.170 -3.377 170 HA HIS 26 HA HIS 26 8.578 -10.889 -1.450 171 HB2 HIS 26 HB3 HIS 26 9.849 -9.254 -3.681 172 HB3 HIS 26 HB2 HIS 26 10.618 -10.573 -2.798 173 HD1 HIS 26 HD1 HIS 26 9.416 -13.074 -3.161 174 HD2 HIS 26 HD2 HIS 26 8.419 -9.952 -5.791 175 HE1 HIS 26 HE1 HIS 26 8.343 -14.155 -5.210 176 H LYS 27 H LYS 27 8.570 -7.387 -1.691 177 HA LYS 27 HA LYS 27 9.739 -5.718 -0.858 178 HB2 LYS 27 HB3 LYS 27 8.691 -6.606 1.246 179 HB3 LYS 27 HB2 LYS 27 10.243 -7.368 1.625 180 HG2 LYS 27 HG3 LYS 27 11.327 -5.080 1.482 181 HG3 LYS 27 HG2 LYS 27 9.740 -4.391 1.126 182 HD2 LYS 27 HD3 LYS 27 10.252 -4.002 3.441 183 HD3 LYS 27 HD2 LYS 27 8.928 -5.178 3.358 184 HE2 LYS 27 HE3 LYS 27 10.547 -7.019 3.734 185 HE3 LYS 27 HE2 LYS 27 11.879 -5.846 3.767 186 HZ1 LYS 27 HZ1 LYS 27 11.168 -6.447 5.955 187 HZ2 LYS 27 HZ2 LYS 27 9.629 -5.937 5.649 188 HZ3 LYS 27 HZ3 LYS 27 10.867 -4.848 5.681 189 H TRP 28 H TRP 28 11.075 -6.504 -2.720 190 HA TRP 28 HA TRP 28 13.700 -5.734 -1.825 191 HB2 TRP 28 HB3 TRP 28 14.956 -7.243 -3.297 192 HB3 TRP 28 HB2 TRP 28 14.184 -8.060 -1.966 193 HD1 TRP 28 HD1 TRP 28 12.873 -7.385 -5.616 194 HE1 TRP 28 HE1 TRP 28 12.074 -9.580 -6.580 195 HE3 TRP 28 HE3 TRP 28 14.152 -10.352 -1.739 196 HZ2 TRP 28 HZ2 TRP 28 11.982 -12.396 -5.735 197 HZ3 TRP 28 HZ3 TRP 28 13.707 -12.825 -1.805 198 HH2 TRP 28 HH2 TRP 28 12.618 -13.834 -3.800 199 H CYS 29 H CYS 29 15.025 -5.036 -3.586 200 HA CYS 29 HA CYS 29 13.624 -3.158 -5.273 201 HB2 CYS 29 HB3 CYS 29 16.522 -4.039 -5.198 202 HB3 CYS 29 HB2 CYS 29 15.910 -2.653 -6.092 203 H LYS 30 H LYS 30 12.724 -3.536 -7.179 204 HA LYS 30 HA LYS 30 13.873 -5.517 -9.036 205 HB2 LYS 30 HB3 LYS 30 11.693 -6.374 -9.638 206 HB3 LYS 30 HB2 LYS 30 12.079 -6.733 -7.962 207 HG2 LYS 30 HG3 LYS 30 10.581 -5.005 -7.156 208 HG3 LYS 30 HG2 LYS 30 10.299 -4.396 -8.788 209 HD2 LYS 30 HD3 LYS 30 9.501 -7.180 -7.854 210 HD3 LYS 30 HD2 LYS 30 8.427 -5.771 -7.876 211 HE2 LYS 30 HE3 LYS 30 8.762 -5.546 -10.322 212 HE3 LYS 30 HE2 LYS 30 9.801 -6.984 -10.308 213 HZ1 LYS 30 HZ1 LYS 30 7.573 -7.510 -10.938 214 HZ2 LYS 30 HZ2 LYS 30 6.977 -6.909 -9.522 215 HZ3 LYS 30 HZ3 LYS 30 7.945 -8.244 -9.509 216 H VAL 31 H VAL 31 13.258 -5.184 -11.247 217 HA VAL 31 HA VAL 31 13.924 -2.588 -11.929 218 HB VAL 31 HB VAL 31 12.742 -4.629 -13.833 219 HG11 VAL 31 HG11 VAL 31 13.103 -2.350 -14.760 220 HG12 VAL 31 HG12 VAL 31 14.230 -3.515 -15.467 221 HG13 VAL 31 HG13 VAL 31 14.790 -2.391 -14.211 222 HG21 VAL 31 HG21 VAL 31 15.124 -5.352 -14.196 223 HG22 VAL 31 HG22 VAL 31 15.600 -4.389 -12.779 224 HG23 VAL 31 HG23 VAL 31 14.503 -5.780 -12.604 225 H LEU 32 H LEU 32 12.847 -0.799 -11.874 226 HA LEU 32 HA LEU 32 10.010 -0.469 -11.946 227 HB2 LEU 32 HB3 LEU 32 11.431 1.119 -10.795 228 HB3 LEU 32 HB2 LEU 32 12.384 1.400 -12.239 229 HG LEU 32 HG LEU 32 10.408 2.515 -13.296 230 HD11 LEU 32 HD11 LEU 32 9.101 2.168 -10.557 231 HD12 LEU 32 HD12 LEU 32 8.574 1.377 -12.060 232 HD13 LEU 32 HD13 LEU 32 8.466 3.135 -11.903 233 HD21 LEU 32 HD21 LEU 32 11.221 3.618 -10.573 234 HD22 LEU 32 HD22 LEU 32 12.119 3.815 -12.095 235 HD23 LEU 32 HD23 LEU 32 10.517 4.550 -11.914 236 H LEU 33 H LEU 33 12.582 0.170 -14.240 237 HA LEU 33 HA LEU 33 10.833 1.237 -16.280 238 HB2 LEU 33 HB3 LEU 33 13.802 0.565 -16.290 239 HB3 LEU 33 HB2 LEU 33 12.962 1.418 -17.584 240 HG LEU 33 HG LEU 33 13.255 2.437 -14.713 241 HD11 LEU 33 HD11 LEU 33 14.642 3.308 -17.279 242 HD12 LEU 33 HD12 LEU 33 15.386 2.395 -15.948 243 HD13 LEU 33 HD13 LEU 33 14.827 4.053 -15.676 244 HD21 LEU 33 HD21 LEU 33 11.198 3.334 -15.699 245 HD22 LEU 33 HD22 LEU 33 12.075 3.788 -17.180 246 HD23 LEU 33 HD23 LEU 33 12.432 4.594 -15.637 247 HN1 NH2 34 HN1 AMD 34 9.494 -0.103 -17.366 248 HN2 NH2 34 HN2 AMD 34 9.970 -1.615 -18.107 Start of MODEL 10 1 H1 GLU 1 H1 AMN 0 24.979 2.482 0.694 2 H2 GLU 1 H2 AMN 0 25.834 3.878 0.497 3 H3 GLU 1 H3 AMN 0 24.243 3.939 0.930 4 HA GLU 1 HA GLU 1 24.510 4.524 -1.337 5 HB2 GLU 1 HB3 GLU 1 25.341 2.947 -2.970 6 HB3 GLU 1 HB2 GLU 1 26.568 3.268 -1.747 7 HG2 GLU 1 HG3 GLU 1 26.067 1.108 -0.642 8 HG3 GLU 1 HG2 GLU 1 24.778 0.791 -1.810 9 H CYS 2 H CYS 2 23.117 3.725 -3.124 10 HA CYS 2 HA CYS 2 20.567 2.935 -2.189 11 HB2 CYS 2 HB3 CYS 2 19.919 3.040 -4.510 12 HB3 CYS 2 HB2 CYS 2 20.978 4.382 -4.121 13 H LYS 3 H LYS 3 19.357 1.077 -2.546 14 HA LYS 3 HA LYS 3 20.823 -1.431 -2.330 15 HB2 LYS 3 HB3 LYS 3 17.902 -0.603 -2.232 16 HB3 LYS 3 HB2 LYS 3 18.384 -2.295 -2.184 17 HG2 LYS 3 HG3 LYS 3 19.452 -0.247 -0.200 18 HG3 LYS 3 HG2 LYS 3 17.951 -1.146 0.051 19 HD2 LYS 3 HD3 LYS 3 19.133 -3.271 -0.010 20 HD3 LYS 3 HD2 LYS 3 20.678 -2.447 -0.333 21 HE2 LYS 3 HE3 LYS 3 20.472 -1.244 1.820 22 HE3 LYS 3 HE2 LYS 3 18.928 -2.062 2.131 23 HZ1 LYS 3 HZ1 LYS 3 20.739 -3.132 3.243 24 HZ2 LYS 3 HZ2 LYS 3 21.529 -3.384 1.817 25 HZ3 LYS 3 HZ3 LYS 3 20.093 -4.141 2.109 26 H GLY 4 H GLY 4 21.431 -2.642 -4.022 27 HA2 GLY 4 HA2 GLY 4 20.676 -2.034 -6.732 28 HA3 GLY 4 HA3 GLY 4 21.707 -3.355 -6.162 29 H PHE 5 H PHE 5 20.188 -4.089 -8.198 30 HA PHE 5 HA PHE 5 17.545 -4.840 -7.781 31 HB2 PHE 5 HB3 PHE 5 18.635 -4.525 -9.939 32 HB3 PHE 5 HB2 PHE 5 19.787 -5.805 -9.595 33 HD1 PHE 5 HD1 PHE 5 16.023 -5.465 -9.423 34 HD2 PHE 5 HD2 PHE 5 19.423 -7.726 -10.833 35 HE1 PHE 5 HE1 PHE 5 14.499 -7.186 -10.362 36 HE2 PHE 5 HE2 PHE 5 17.888 -9.424 -11.788 37 HZ PHE 5 HZ PHE 5 15.438 -9.149 -11.537 38 H GLY 6 H GLY 6 16.738 -6.313 -6.454 39 HA2 GLY 6 HA2 GLY 6 16.361 -8.331 -5.484 40 HA3 GLY 6 HA3 GLY 6 17.889 -8.963 -6.106 41 H LYS 7 H LYS 7 17.465 -5.982 -4.165 42 HA LYS 7 HA LYS 7 18.777 -7.263 -1.807 43 HB2 LYS 7 HB3 LYS 7 19.000 -4.413 -2.831 44 HB3 LYS 7 HB2 LYS 7 19.663 -4.996 -1.325 45 HG2 LYS 7 HG3 LYS 7 20.504 -5.990 -4.083 46 HG3 LYS 7 HG2 LYS 7 21.350 -4.777 -3.136 47 HD2 LYS 7 HD3 LYS 7 20.982 -7.712 -2.417 48 HD3 LYS 7 HD2 LYS 7 22.473 -6.919 -2.915 49 HE2 LYS 7 HE3 LYS 7 20.940 -6.404 -0.333 50 HE3 LYS 7 HE2 LYS 7 22.451 -7.310 -0.499 51 HZ1 LYS 7 HZ1 LYS 7 22.104 -4.460 -1.091 52 HZ2 LYS 7 HZ2 LYS 7 23.509 -5.311 -1.242 53 HZ3 LYS 7 HZ3 LYS 7 22.834 -5.090 0.247 54 H SER 8 H SER 8 17.705 -7.143 0.046 55 HA SER 8 HA SER 8 14.999 -6.390 0.190 56 HB2 SER 8 HB3 SER 8 16.067 -8.117 1.591 57 HB3 SER 8 HB2 SER 8 16.989 -6.862 2.445 58 HG SER 8 HG SER 8 14.969 -5.955 3.066 59 H CYS 9 H CYS 9 14.088 -4.489 0.356 60 HA CYS 9 HA CYS 9 15.684 -2.076 0.667 61 HB2 CYS 9 HB3 CYS 9 13.724 -0.972 -0.175 62 HB3 CYS 9 HB2 CYS 9 13.985 -2.416 -1.117 63 H VAL 10 H VAL 10 14.632 -0.218 1.743 64 HA VAL 10 HA VAL 10 13.517 -0.629 4.431 65 HB VAL 10 HB VAL 10 14.261 1.761 2.705 66 HG11 VAL 10 HG11 VAL 10 12.810 1.895 5.375 67 HG12 VAL 10 HG12 VAL 10 12.201 2.462 3.803 68 HG13 VAL 10 HG13 VAL 10 13.583 3.264 4.543 69 HG21 VAL 10 HG21 VAL 10 15.822 2.257 4.528 70 HG22 VAL 10 HG22 VAL 10 16.069 0.584 4.002 71 HG23 VAL 10 HG23 VAL 10 15.171 0.912 5.494 72 HA PRO 11 HA PRO 11 9.399 -0.520 2.464 73 HB2 PRO 11 HB3 PRO 11 7.824 -0.187 4.683 74 HB3 PRO 11 HB2 PRO 11 8.590 -1.738 4.234 75 HG2 PRO 11 HG3 PRO 11 9.557 0.306 6.249 76 HG3 PRO 11 HG2 PRO 11 9.473 -1.475 6.425 77 HD2 PRO 11 HD3 PRO 11 11.773 -0.140 5.750 78 HD3 PRO 11 HD2 PRO 11 11.417 -1.781 5.147 79 H GLY 12 H GLY 12 9.567 1.258 1.280 80 HA2 GLY 12 HA2 GLY 12 8.343 3.718 1.721 81 HA3 GLY 12 HA3 GLY 12 10.065 3.880 2.146 82 H LYS 13 H LYS 13 10.835 1.689 0.277 83 HA LYS 13 HA LYS 13 11.534 1.232 -1.712 84 HB2 LYS 13 HB3 LYS 13 9.614 3.157 -3.065 85 HB3 LYS 13 HB2 LYS 13 10.351 1.694 -3.711 86 HG2 LYS 13 HG3 LYS 13 8.943 0.380 -2.017 87 HG3 LYS 13 HG2 LYS 13 8.108 1.891 -1.653 88 HD2 LYS 13 HD3 LYS 13 7.430 2.104 -4.027 89 HD3 LYS 13 HD2 LYS 13 8.258 0.572 -4.389 90 HE2 LYS 13 HE3 LYS 13 6.798 -0.581 -2.727 91 HE3 LYS 13 HE2 LYS 13 5.938 0.945 -2.448 92 HZ1 LYS 13 HZ1 LYS 13 6.112 -0.484 -5.007 93 HZ2 LYS 13 HZ2 LYS 13 5.306 0.932 -4.749 94 HZ3 LYS 13 HZ3 LYS 13 4.801 -0.452 -4.006 95 H ASN 14 H ASN 14 12.070 3.838 -0.107 96 HA ASN 14 HA ASN 14 13.020 5.763 -1.905 97 HB2 ASN 14 HB3 ASN 14 13.972 6.845 0.093 98 HB3 ASN 14 HB2 ASN 14 12.300 6.352 0.322 99 HD21 ASN 14 HD21 ASN 14 15.551 6.056 1.505 100 HD22 ASN 14 HD22 ASN 14 15.226 4.909 2.785 101 H GLU 15 H GLU 15 14.562 2.992 -0.344 102 HA GLU 15 HA GLU 15 17.285 3.790 -0.671 103 HB2 GLU 15 HB3 GLU 15 15.921 1.113 -0.212 104 HB3 GLU 15 HB2 GLU 15 17.666 1.262 -0.403 105 HG2 GLU 15 HG3 GLU 15 16.071 2.733 1.720 106 HG3 GLU 15 HG2 GLU 15 16.956 1.220 1.965 107 H CYS 16 H CYS 16 15.177 1.686 -2.708 108 HA CYS 16 HA CYS 16 17.126 0.514 -4.214 109 HB2 CYS 16 HB3 CYS 16 14.337 1.284 -5.115 110 HB3 CYS 16 HB2 CYS 16 15.375 0.069 -5.859 111 H CYS 17 H CYS 17 18.298 0.899 -6.011 112 HA CYS 17 HA CYS 17 19.090 3.521 -6.612 113 HB2 CYS 17 HB3 CYS 17 19.537 0.998 -8.243 114 HB3 CYS 17 HB2 CYS 17 20.471 2.474 -8.354 115 H SER 18 H SER 18 19.422 4.226 -8.984 116 HA SER 18 HA SER 18 16.933 5.005 -10.109 117 HB2 SER 18 HB3 SER 18 19.002 6.327 -10.237 118 HB3 SER 18 HB2 SER 18 19.750 5.083 -11.261 119 HG SER 18 HG SER 18 18.067 5.469 -12.775 120 H GLY 19 H GLY 19 15.595 3.610 -11.002 121 HA2 GLY 19 HA2 GLY 19 14.909 2.500 -13.022 122 HA3 GLY 19 HA3 GLY 19 16.493 1.725 -13.126 123 H LEU 20 H LEU 20 15.100 1.978 -9.952 124 HA LEU 20 HA LEU 20 13.976 -0.764 -9.980 125 HB2 LEU 20 HB3 LEU 20 15.903 0.369 -7.928 126 HB3 LEU 20 HB2 LEU 20 15.113 -1.201 -7.831 127 HG LEU 20 HG LEU 20 17.128 -0.415 -9.970 128 HD11 LEU 20 HD11 LEU 20 18.738 -1.736 -8.726 129 HD12 LEU 20 HD12 LEU 20 17.509 -2.159 -7.506 130 HD13 LEU 20 HD13 LEU 20 18.071 -0.490 -7.658 131 HD21 LEU 20 HD21 LEU 20 15.976 -3.141 -9.209 132 HD22 LEU 20 HD22 LEU 20 17.235 -2.835 -10.433 133 HD23 LEU 20 HD23 LEU 20 15.604 -2.236 -10.686 134 H THR 21 H THR 21 12.779 -1.199 -7.971 135 HA THR 21 HA THR 21 11.747 0.880 -6.308 136 HB THR 21 HB THR 21 10.514 1.456 -8.377 137 HG1 THR 21 HG1 THR 21 8.476 1.398 -7.389 138 HG21 THR 21 HG21 THR 21 8.799 0.055 -9.338 139 HG22 THR 21 HG22 THR 21 9.112 -1.247 -8.182 140 HG23 THR 21 HG23 THR 21 10.325 -0.836 -9.415 141 H CYS 22 H CYS 22 11.002 -0.114 -4.423 142 HA CYS 22 HA CYS 22 11.505 -2.914 -4.270 143 HB2 CYS 22 HB3 CYS 22 11.917 -1.198 -2.467 144 HB3 CYS 22 HB2 CYS 22 10.188 -1.287 -2.104 145 H SER 23 H SER 23 10.243 -4.606 -4.415 146 HA SER 23 HA SER 23 7.594 -4.605 -5.353 147 HB2 SER 23 HB3 SER 23 9.334 -6.402 -5.620 148 HB3 SER 23 HB2 SER 23 9.150 -6.793 -3.909 149 HG SER 23 HG SER 23 7.104 -6.873 -5.880 150 H ASN 24 H ASN 24 5.628 -4.911 -4.359 151 HA ASN 24 HA ASN 24 5.273 -4.413 -1.544 152 HB2 ASN 24 HB3 ASN 24 2.922 -4.851 -1.982 153 HB3 ASN 24 HB2 ASN 24 3.594 -3.732 -3.159 154 HD21 ASN 24 HD21 ASN 24 1.847 -6.667 -2.732 155 HD22 ASN 24 HD22 ASN 24 1.811 -7.173 -4.406 156 H LYS 25 H LYS 25 5.108 -7.341 -3.625 157 HA LYS 25 HA LYS 25 4.360 -9.111 -1.506 158 HB2 LYS 25 HB3 LYS 25 3.747 -9.347 -3.898 159 HB3 LYS 25 HB2 LYS 25 5.429 -9.702 -4.301 160 HG2 LYS 25 HG3 LYS 25 5.333 -11.707 -2.776 161 HG3 LYS 25 HG2 LYS 25 3.639 -11.338 -2.436 162 HD2 LYS 25 HD3 LYS 25 4.785 -11.984 -5.192 163 HD3 LYS 25 HD2 LYS 25 3.950 -13.133 -4.133 164 HE2 LYS 25 HE3 LYS 25 1.910 -11.716 -4.205 165 HE3 LYS 25 HE2 LYS 25 2.735 -10.599 -5.310 166 HZ1 LYS 25 HZ1 LYS 25 2.954 -12.392 -6.864 167 HZ2 LYS 25 HZ2 LYS 25 1.368 -12.152 -6.479 168 HZ3 LYS 25 HZ3 LYS 25 2.187 -13.432 -5.838 169 H HIS 26 H HIS 26 7.380 -8.956 -3.496 170 HA HIS 26 HA HIS 26 8.726 -10.905 -1.896 171 HB2 HIS 26 HB3 HIS 26 9.803 -9.006 -4.011 172 HB3 HIS 26 HB2 HIS 26 10.609 -10.451 -3.401 173 HD1 HIS 26 HD1 HIS 26 7.981 -9.398 -5.908 174 HD2 HIS 26 HD2 HIS 26 9.429 -12.880 -4.056 175 HE1 HIS 26 HE1 HIS 26 7.069 -11.371 -7.245 176 H LYS 27 H LYS 27 8.522 -7.422 -1.690 177 HA LYS 27 HA LYS 27 9.685 -5.793 -0.742 178 HB2 LYS 27 HB3 LYS 27 8.604 -6.962 1.187 179 HB3 LYS 27 HB2 LYS 27 10.164 -7.716 1.546 180 HG2 LYS 27 HG3 LYS 27 11.177 -5.470 1.855 181 HG3 LYS 27 HG2 LYS 27 9.655 -4.701 1.376 182 HD2 LYS 27 HD3 LYS 27 8.509 -5.663 3.317 183 HD3 LYS 27 HD2 LYS 27 9.977 -6.529 3.803 184 HE2 LYS 27 HE3 LYS 27 9.789 -3.497 3.551 185 HE3 LYS 27 HE2 LYS 27 9.519 -4.383 5.064 186 HZ1 LYS 27 HZ1 LYS 27 11.732 -5.238 4.901 187 HZ2 LYS 27 HZ2 LYS 27 11.747 -3.588 4.903 188 HZ3 LYS 27 HZ3 LYS 27 11.995 -4.414 3.497 189 H TRP 28 H TRP 28 11.086 -6.575 -2.687 190 HA TRP 28 HA TRP 28 13.733 -5.840 -1.781 191 HB2 TRP 28 HB3 TRP 28 14.986 -7.452 -2.926 192 HB3 TRP 28 HB2 TRP 28 13.870 -8.316 -1.907 193 HD1 TRP 28 HD1 TRP 28 11.774 -7.687 -4.794 194 HE1 TRP 28 HE1 TRP 28 11.887 -9.493 -6.539 195 HE3 TRP 28 HE3 TRP 28 15.969 -10.077 -3.130 196 HZ2 TRP 28 HZ2 TRP 28 13.587 -11.779 -7.160 197 HZ3 TRP 28 HZ3 TRP 28 16.814 -12.079 -4.323 198 HH2 TRP 28 HH2 TRP 28 15.636 -12.934 -6.335 199 H CYS 29 H CYS 29 15.043 -4.939 -3.559 200 HA CYS 29 HA CYS 29 13.498 -3.208 -5.224 201 HB2 CYS 29 HB3 CYS 29 16.425 -3.931 -5.306 202 HB3 CYS 29 HB2 CYS 29 15.688 -2.556 -6.127 203 H LYS 30 H LYS 30 12.638 -3.527 -7.154 204 HA LYS 30 HA LYS 30 13.744 -5.532 -9.012 205 HB2 LYS 30 HB3 LYS 30 11.532 -6.304 -9.629 206 HB3 LYS 30 HB2 LYS 30 11.909 -6.694 -7.956 207 HG2 LYS 30 HG3 LYS 30 10.467 -4.951 -7.120 208 HG3 LYS 30 HG2 LYS 30 10.235 -4.264 -8.722 209 HD2 LYS 30 HD3 LYS 30 9.279 -7.020 -7.853 210 HD3 LYS 30 HD2 LYS 30 8.274 -5.571 -7.923 211 HE2 LYS 30 HE3 LYS 30 9.647 -6.898 -10.297 212 HE3 LYS 30 HE2 LYS 30 7.933 -7.027 -9.879 213 HZ1 LYS 30 HZ1 LYS 30 8.305 -5.404 -11.570 214 HZ2 LYS 30 HZ2 LYS 30 9.327 -4.549 -10.597 215 HZ3 LYS 30 HZ3 LYS 30 7.730 -4.676 -10.206 216 H VAL 31 H VAL 31 13.171 -5.173 -11.218 217 HA VAL 31 HA VAL 31 13.934 -2.594 -11.870 218 HB VAL 31 HB VAL 31 12.790 -4.667 -13.767 219 HG11 VAL 31 HG11 VAL 31 14.749 -2.361 -14.189 220 HG12 VAL 31 HG12 VAL 31 13.082 -2.443 -14.806 221 HG13 VAL 31 HG13 VAL 31 14.302 -3.570 -15.411 222 HG21 VAL 31 HG21 VAL 31 14.574 -5.720 -12.481 223 HG22 VAL 31 HG22 VAL 31 15.190 -5.340 -14.086 224 HG23 VAL 31 HG23 VAL 31 15.634 -4.309 -12.707 225 H LEU 32 H LEU 32 12.861 -0.801 -11.695 226 HA LEU 32 HA LEU 32 10.059 -0.402 -12.281 227 HB2 LEU 32 HB3 LEU 32 11.227 1.030 -10.694 228 HB3 LEU 32 HB2 LEU 32 12.419 1.475 -11.902 229 HG LEU 32 HG LEU 32 10.671 2.691 -13.174 230 HD11 LEU 32 HD11 LEU 32 8.454 3.111 -12.154 231 HD12 LEU 32 HD12 LEU 32 8.821 1.947 -10.864 232 HD13 LEU 32 HD13 LEU 32 8.658 1.401 -12.550 233 HD21 LEU 32 HD21 LEU 32 10.824 3.451 -10.228 234 HD22 LEU 32 HD22 LEU 32 12.029 3.847 -11.473 235 HD23 LEU 32 HD23 LEU 32 10.400 4.536 -11.571 236 H LEU 33 H LEU 33 13.058 0.637 -13.786 237 HA LEU 33 HA LEU 33 12.067 0.124 -16.526 238 HB2 LEU 33 HB3 LEU 33 13.184 2.769 -15.508 239 HB3 LEU 33 HB2 LEU 33 13.133 2.342 -17.215 240 HG LEU 33 HG LEU 33 10.659 2.552 -15.444 241 HD11 LEU 33 HD11 LEU 33 11.787 4.527 -17.470 242 HD12 LEU 33 HD12 LEU 33 11.772 4.733 -15.704 243 HD13 LEU 33 HD13 LEU 33 10.245 4.684 -16.599 244 HD21 LEU 33 HD21 LEU 33 10.946 2.285 -18.471 245 HD22 LEU 33 HD22 LEU 33 9.428 2.593 -17.602 246 HD23 LEU 33 HD23 LEU 33 10.274 1.062 -17.370 247 HN1 NH2 34 HN1 AMD 34 13.565 -0.993 -17.637 248 HN2 NH2 34 HN2 AMD 34 15.269 -1.065 -17.247 Start of MODEL 11 1 H1 GLU 1 H1 AMN 0 24.059 5.215 -1.798 2 H2 GLU 1 H2 AMN 0 25.414 5.058 -0.870 3 H3 GLU 1 H3 AMN 0 24.983 3.854 -1.913 4 HA GLU 1 HA GLU 1 24.497 3.243 0.298 5 HB2 GLU 1 HB3 GLU 1 22.847 4.452 1.630 6 HB3 GLU 1 HB2 GLU 1 24.242 5.441 1.241 7 HG2 GLU 1 HG3 GLU 1 22.318 6.833 1.069 8 HG3 GLU 1 HG2 GLU 1 22.927 6.585 -0.561 9 H CYS 2 H CYS 2 22.895 3.860 -2.609 10 HA CYS 2 HA CYS 2 20.313 2.903 -2.012 11 HB2 CYS 2 HB3 CYS 2 19.903 3.037 -4.361 12 HB3 CYS 2 HB2 CYS 2 20.904 4.391 -3.882 13 H LYS 3 H LYS 3 19.248 1.012 -2.454 14 HA LYS 3 HA LYS 3 20.816 -1.455 -2.254 15 HB2 LYS 3 HB3 LYS 3 17.862 -0.753 -2.180 16 HB3 LYS 3 HB2 LYS 3 18.418 -2.422 -2.182 17 HG2 LYS 3 HG3 LYS 3 19.285 -0.372 -0.106 18 HG3 LYS 3 HG2 LYS 3 17.886 -1.433 0.081 19 HD2 LYS 3 HD3 LYS 3 19.333 -3.419 -0.081 20 HD3 LYS 3 HD2 LYS 3 20.767 -2.388 -0.234 21 HE2 LYS 3 HE3 LYS 3 18.844 -2.393 2.130 22 HE3 LYS 3 HE2 LYS 3 20.395 -3.250 2.079 23 HZ1 LYS 3 HZ1 LYS 3 21.485 -1.151 1.800 24 HZ2 LYS 3 HZ2 LYS 3 20.585 -1.157 3.182 25 HZ3 LYS 3 HZ3 LYS 3 20.046 -0.347 1.850 26 H GLY 4 H GLY 4 21.511 -2.536 -4.000 27 HA2 GLY 4 HA2 GLY 4 20.764 -1.883 -6.686 28 HA3 GLY 4 HA3 GLY 4 21.786 -3.223 -6.144 29 H PHE 5 H PHE 5 20.297 -3.883 -8.221 30 HA PHE 5 HA PHE 5 17.655 -4.663 -7.873 31 HB2 PHE 5 HB3 PHE 5 18.753 -4.305 -10.011 32 HB3 PHE 5 HB2 PHE 5 19.946 -5.547 -9.666 33 HD1 PHE 5 HD1 PHE 5 16.171 -5.436 -9.431 34 HD2 PHE 5 HD2 PHE 5 19.673 -7.380 -11.054 35 HE1 PHE 5 HE1 PHE 5 14.742 -7.215 -10.404 36 HE2 PHE 5 HE2 PHE 5 18.229 -9.135 -12.045 37 HZ PHE 5 HZ PHE 5 15.777 -9.051 -11.701 38 H GLY 6 H GLY 6 16.824 -6.177 -6.622 39 HA2 GLY 6 HA2 GLY 6 16.428 -8.203 -5.689 40 HA3 GLY 6 HA3 GLY 6 17.942 -8.837 -6.342 41 H LYS 7 H LYS 7 17.610 -5.916 -4.298 42 HA LYS 7 HA LYS 7 18.867 -7.322 -1.986 43 HB2 LYS 7 HB3 LYS 7 19.283 -4.452 -2.889 44 HB3 LYS 7 HB2 LYS 7 19.954 -5.182 -1.450 45 HG2 LYS 7 HG3 LYS 7 20.617 -5.986 -4.317 46 HG3 LYS 7 HG2 LYS 7 21.610 -4.985 -3.267 47 HD2 LYS 7 HD3 LYS 7 20.940 -7.923 -2.801 48 HD3 LYS 7 HD2 LYS 7 22.471 -7.270 -3.388 49 HE2 LYS 7 HE3 LYS 7 22.761 -6.027 -1.258 50 HE3 LYS 7 HE2 LYS 7 21.238 -6.715 -0.659 51 HZ1 LYS 7 HZ1 LYS 7 23.619 -8.246 -1.423 52 HZ2 LYS 7 HZ2 LYS 7 22.202 -8.882 -0.868 53 HZ3 LYS 7 HZ3 LYS 7 23.122 -7.933 0.119 54 H SER 8 H SER 8 17.807 -7.179 -0.134 55 HA SER 8 HA SER 8 15.117 -6.439 -0.033 56 HB2 SER 8 HB3 SER 8 17.110 -6.986 2.198 57 HB3 SER 8 HB2 SER 8 15.352 -6.868 2.414 58 HG SER 8 HG SER 8 15.136 -8.580 0.913 59 H CYS 9 H CYS 9 14.134 -4.575 0.167 60 HA CYS 9 HA CYS 9 15.659 -2.129 0.598 61 HB2 CYS 9 HB3 CYS 9 13.749 -1.031 -0.294 62 HB3 CYS 9 HB2 CYS 9 13.999 -2.466 -1.252 63 H VAL 10 H VAL 10 14.558 -0.345 1.697 64 HA VAL 10 HA VAL 10 13.314 -0.867 4.311 65 HB VAL 10 HB VAL 10 14.078 1.631 2.742 66 HG11 VAL 10 HG11 VAL 10 12.610 1.506 5.404 67 HG12 VAL 10 HG12 VAL 10 11.999 2.188 3.881 68 HG13 VAL 10 HG13 VAL 10 13.351 2.964 4.700 69 HG21 VAL 10 HG21 VAL 10 15.615 2.041 4.611 70 HG22 VAL 10 HG22 VAL 10 15.928 0.435 3.938 71 HG23 VAL 10 HG23 VAL 10 15.021 0.590 5.454 72 HA PRO 11 HA PRO 11 9.322 -0.680 2.077 73 HB2 PRO 11 HB3 PRO 11 7.614 -0.516 4.221 74 HB3 PRO 11 HB2 PRO 11 8.403 -2.027 3.687 75 HG2 PRO 11 HG3 PRO 11 9.265 -0.161 5.912 76 HG3 PRO 11 HG2 PRO 11 9.156 -1.948 5.945 77 HD2 PRO 11 HD3 PRO 11 11.504 -0.619 5.515 78 HD3 PRO 11 HD2 PRO 11 11.152 -2.182 4.720 79 H GLY 12 H GLY 12 9.500 1.184 1.036 80 HA2 GLY 12 HA2 GLY 12 8.209 3.574 1.603 81 HA3 GLY 12 HA3 GLY 12 9.896 3.743 2.144 82 H LYS 13 H LYS 13 10.794 1.714 0.110 83 HA LYS 13 HA LYS 13 11.623 1.471 -1.869 84 HB2 LYS 13 HB3 LYS 13 9.693 3.572 -2.964 85 HB3 LYS 13 HB2 LYS 13 10.634 2.434 -3.913 86 HG2 LYS 13 HG3 LYS 13 9.325 0.568 -3.202 87 HG3 LYS 13 HG2 LYS 13 8.503 1.509 -1.943 88 HD2 LYS 13 HD3 LYS 13 7.405 2.903 -3.623 89 HD3 LYS 13 HD2 LYS 13 8.316 2.119 -4.919 90 HE2 LYS 13 HE3 LYS 13 6.058 1.233 -4.856 91 HE3 LYS 13 HE2 LYS 13 7.212 -0.033 -4.412 92 HZ1 LYS 13 HZ1 LYS 13 6.663 0.368 -2.120 93 HZ2 LYS 13 HZ2 LYS 13 5.311 -0.018 -2.982 94 HZ3 LYS 13 HZ3 LYS 13 5.590 1.547 -2.543 95 H ASN 14 H ASN 14 12.047 3.903 0.060 96 HA ASN 14 HA ASN 14 13.185 5.971 -1.421 97 HB2 ASN 14 HB3 ASN 14 14.142 6.712 0.751 98 HB3 ASN 14 HB2 ASN 14 12.422 6.350 0.812 99 HD21 ASN 14 HD21 ASN 14 15.587 5.496 2.050 100 HD22 ASN 14 HD22 ASN 14 15.050 4.267 3.173 101 H GLU 15 H GLU 15 14.533 2.914 -0.305 102 HA GLU 15 HA GLU 15 17.307 3.636 -0.496 103 HB2 GLU 15 HB3 GLU 15 15.832 0.982 -0.338 104 HB3 GLU 15 HB2 GLU 15 17.581 1.091 -0.524 105 HG2 GLU 15 HG3 GLU 15 16.015 2.316 1.768 106 HG3 GLU 15 HG2 GLU 15 16.909 0.791 1.827 107 H CYS 16 H CYS 16 15.193 1.676 -2.703 108 HA CYS 16 HA CYS 16 17.172 0.568 -4.129 109 HB2 CYS 16 HB3 CYS 16 14.436 1.340 -5.173 110 HB3 CYS 16 HB2 CYS 16 15.512 0.143 -5.894 111 H CYS 17 H CYS 17 18.419 0.877 -5.877 112 HA CYS 17 HA CYS 17 19.268 3.478 -6.557 113 HB2 CYS 17 HB3 CYS 17 19.809 0.852 -7.987 114 HB3 CYS 17 HB2 CYS 17 20.747 2.321 -8.149 115 H SER 18 H SER 18 19.780 3.879 -9.028 116 HA SER 18 HA SER 18 17.450 4.843 -10.250 117 HB2 SER 18 HB3 SER 18 19.714 5.765 -10.535 118 HB3 SER 18 HB2 SER 18 20.203 4.312 -11.434 119 HG SER 18 HG SER 18 18.137 6.124 -12.158 120 H GLY 19 H GLY 19 15.898 3.784 -11.220 121 HA2 GLY 19 HA2 GLY 19 14.940 2.672 -13.028 122 HA3 GLY 19 HA3 GLY 19 16.431 1.762 -13.295 123 H LEU 20 H LEU 20 15.122 2.040 -10.051 124 HA LEU 20 HA LEU 20 13.969 -0.701 -10.124 125 HB2 LEU 20 HB3 LEU 20 15.803 0.442 -7.998 126 HB3 LEU 20 HB2 LEU 20 15.053 -1.148 -7.958 127 HG LEU 20 HG LEU 20 17.115 -0.266 -10.017 128 HD11 LEU 20 HD11 LEU 20 18.723 -1.571 -8.753 129 HD12 LEU 20 HD12 LEU 20 17.476 -2.041 -7.572 130 HD13 LEU 20 HD13 LEU 20 17.996 -0.355 -7.691 131 HD21 LEU 20 HD21 LEU 20 16.022 -3.042 -9.354 132 HD22 LEU 20 HD22 LEU 20 17.310 -2.667 -10.528 133 HD23 LEU 20 HD23 LEU 20 15.671 -2.109 -10.823 134 H THR 21 H THR 21 12.709 -1.169 -8.207 135 HA THR 21 HA THR 21 11.592 0.906 -6.556 136 HB THR 21 HB THR 21 10.339 1.362 -8.622 137 HG1 THR 21 HG1 THR 21 9.335 1.530 -6.591 138 HG21 THR 21 HG21 THR 21 8.777 -0.178 -9.634 139 HG22 THR 21 HG22 THR 21 9.166 -1.452 -8.470 140 HG23 THR 21 HG23 THR 21 10.375 -0.936 -9.665 141 H CYS 22 H CYS 22 10.944 -0.071 -4.638 142 HA CYS 22 HA CYS 22 11.494 -2.874 -4.433 143 HB2 CYS 22 HB3 CYS 22 11.956 -1.169 -2.646 144 HB3 CYS 22 HB2 CYS 22 10.226 -1.197 -2.264 145 H SER 23 H SER 23 10.232 -4.552 -4.605 146 HA SER 23 HA SER 23 7.497 -4.573 -5.308 147 HB2 SER 23 HB3 SER 23 9.191 -6.363 -5.749 148 HB3 SER 23 HB2 SER 23 9.233 -6.732 -4.023 149 HG SER 23 HG SER 23 6.985 -7.202 -4.177 150 H ASN 24 H ASN 24 5.658 -4.583 -4.081 151 HA ASN 24 HA ASN 24 5.685 -4.200 -1.226 152 HB2 ASN 24 HB3 ASN 24 3.267 -4.344 -1.396 153 HB3 ASN 24 HB2 ASN 24 3.921 -3.268 -2.623 154 HD21 ASN 24 HD21 ASN 24 1.981 -6.077 -2.035 155 HD22 ASN 24 HD22 ASN 24 1.669 -6.499 -3.705 156 H LYS 25 H LYS 25 5.149 -6.980 -3.394 157 HA LYS 25 HA LYS 25 4.299 -8.839 -1.420 158 HB2 LYS 25 HB3 LYS 25 3.734 -8.901 -3.793 159 HB3 LYS 25 HB2 LYS 25 5.401 -9.205 -4.244 160 HG2 LYS 25 HG3 LYS 25 3.872 -11.100 -2.408 161 HG3 LYS 25 HG2 LYS 25 3.675 -11.143 -4.160 162 HD2 LYS 25 HD3 LYS 25 6.162 -11.480 -4.402 163 HD3 LYS 25 HD2 LYS 25 6.254 -11.677 -2.636 164 HE2 LYS 25 HE3 LYS 25 4.691 -13.558 -2.731 165 HE3 LYS 25 HE2 LYS 25 4.506 -13.342 -4.483 166 HZ1 LYS 25 HZ1 LYS 25 6.057 -15.069 -3.961 167 HZ2 LYS 25 HZ2 LYS 25 7.006 -14.024 -3.106 168 HZ3 LYS 25 HZ3 LYS 25 6.822 -13.829 -4.733 169 H HIS 26 H HIS 26 7.379 -8.851 -3.321 170 HA HIS 26 HA HIS 26 8.582 -10.804 -1.638 171 HB2 HIS 26 HB3 HIS 26 8.962 -10.404 -4.098 172 HB3 HIS 26 HB2 HIS 26 9.917 -8.988 -3.681 173 HD1 HIS 26 HD1 HIS 26 12.060 -9.806 -1.793 174 HD2 HIS 26 HD2 HIS 26 10.354 -12.528 -4.498 175 HE1 HIS 26 HE1 HIS 26 13.710 -11.738 -2.026 176 H LYS 27 H LYS 27 8.765 -7.265 -1.726 177 HA LYS 27 HA LYS 27 9.937 -5.696 -0.694 178 HB2 LYS 27 HB3 LYS 27 10.156 -7.622 1.631 179 HB3 LYS 27 HB2 LYS 27 10.594 -5.910 1.637 180 HG2 LYS 27 HG3 LYS 27 8.237 -5.325 0.994 181 HG3 LYS 27 HG2 LYS 27 7.813 -7.040 1.088 182 HD2 LYS 27 HD3 LYS 27 7.127 -5.944 3.127 183 HD3 LYS 27 HD2 LYS 27 8.453 -7.060 3.496 184 HE2 LYS 27 HE3 LYS 27 10.048 -5.172 3.527 185 HE3 LYS 27 HE2 LYS 27 8.748 -4.054 3.074 186 HZ1 LYS 27 HZ1 LYS 27 9.176 -4.022 5.412 187 HZ2 LYS 27 HZ2 LYS 27 8.868 -5.638 5.542 188 HZ3 LYS 27 HZ3 LYS 27 7.657 -4.598 5.125 189 H TRP 28 H TRP 28 11.209 -6.517 -2.625 190 HA TRP 28 HA TRP 28 13.849 -5.805 -1.771 191 HB2 TRP 28 HB3 TRP 28 15.139 -7.360 -2.929 192 HB3 TRP 28 HB2 TRP 28 14.048 -8.284 -1.937 193 HD1 TRP 28 HD1 TRP 28 11.962 -7.642 -4.843 194 HE1 TRP 28 HE1 TRP 28 12.138 -9.430 -6.605 195 HE3 TRP 28 HE3 TRP 28 16.171 -9.983 -3.136 196 HZ2 TRP 28 HZ2 TRP 28 13.882 -11.678 -7.221 197 HZ3 TRP 28 HZ3 TRP 28 17.059 -11.965 -4.327 198 HH2 TRP 28 HH2 TRP 28 15.928 -12.818 -6.368 199 H CYS 29 H CYS 29 15.133 -4.935 -3.628 200 HA CYS 29 HA CYS 29 13.517 -3.231 -5.279 201 HB2 CYS 29 HB3 CYS 29 16.456 -3.902 -5.423 202 HB3 CYS 29 HB2 CYS 29 15.666 -2.542 -6.223 203 H LYS 30 H LYS 30 12.743 -3.529 -7.269 204 HA LYS 30 HA LYS 30 13.880 -5.575 -9.053 205 HB2 LYS 30 HB3 LYS 30 11.708 -6.397 -9.717 206 HB3 LYS 30 HB2 LYS 30 12.021 -6.733 -8.021 207 HG2 LYS 30 HG3 LYS 30 10.537 -4.933 -7.315 208 HG3 LYS 30 HG2 LYS 30 10.303 -4.397 -8.982 209 HD2 LYS 30 HD3 LYS 30 9.459 -7.125 -7.923 210 HD3 LYS 30 HD2 LYS 30 8.395 -5.715 -8.059 211 HE2 LYS 30 HE3 LYS 30 8.793 -5.644 -10.503 212 HE3 LYS 30 HE2 LYS 30 9.833 -7.075 -10.374 213 HZ1 LYS 30 HZ1 LYS 30 7.959 -8.290 -9.546 214 HZ2 LYS 30 HZ2 LYS 30 7.625 -7.649 -11.028 215 HZ3 LYS 30 HZ3 LYS 30 6.989 -6.962 -9.671 216 H VAL 31 H VAL 31 13.353 -5.236 -11.289 217 HA VAL 31 HA VAL 31 13.986 -2.603 -11.954 218 HB VAL 31 HB VAL 31 12.968 -4.702 -13.892 219 HG11 VAL 31 HG11 VAL 31 14.938 -2.385 -14.208 220 HG12 VAL 31 HG12 VAL 31 13.267 -2.402 -14.805 221 HG13 VAL 31 HG13 VAL 31 14.452 -3.528 -15.480 222 HG21 VAL 31 HG21 VAL 31 15.770 -4.336 -12.732 223 HG22 VAL 31 HG22 VAL 31 14.728 -5.773 -12.597 224 HG23 VAL 31 HG23 VAL 31 15.392 -5.320 -14.164 225 H LEU 32 H LEU 32 12.836 -0.865 -11.999 226 HA LEU 32 HA LEU 32 10.008 -0.642 -12.054 227 HB2 LEU 32 HB3 LEU 32 11.397 1.056 -11.040 228 HB3 LEU 32 HB2 LEU 32 12.301 1.287 -12.522 229 HG LEU 32 HG LEU 32 10.254 2.266 -13.589 230 HD11 LEU 32 HD11 LEU 32 8.329 2.895 -12.171 231 HD12 LEU 32 HD12 LEU 32 9.036 2.019 -10.798 232 HD13 LEU 32 HD13 LEU 32 8.497 1.137 -12.245 233 HD21 LEU 32 HD21 LEU 32 11.943 3.698 -12.514 234 HD22 LEU 32 HD22 LEU 32 10.318 4.381 -12.333 235 HD23 LEU 32 HD23 LEU 32 11.091 3.559 -10.960 236 H LEU 33 H LEU 33 12.465 -0.012 -14.487 237 HA LEU 33 HA LEU 33 10.526 0.552 -16.599 238 HB2 LEU 33 HB3 LEU 33 13.568 0.427 -16.591 239 HB3 LEU 33 HB2 LEU 33 12.584 0.938 -17.963 240 HG LEU 33 HG LEU 33 12.703 2.356 -15.255 241 HD11 LEU 33 HD11 LEU 33 13.883 3.119 -17.958 242 HD12 LEU 33 HD12 LEU 33 14.794 2.546 -16.543 243 HD13 LEU 33 HD13 LEU 33 13.939 4.095 -16.473 244 HD21 LEU 33 HD21 LEU 33 11.489 4.193 -16.427 245 HD22 LEU 33 HD22 LEU 33 10.507 2.734 -16.282 246 HD23 LEU 33 HD23 LEU 33 11.272 3.134 -17.837 247 HN1 NH2 34 HN1 AMD 34 9.396 -1.300 -17.128 248 HN2 NH2 34 HN2 AMD 34 10.153 -2.730 -17.793 Start of MODEL 12 1 H1 GLU 1 H1 AMN 0 24.788 2.846 -1.034 2 H2 GLU 1 H2 AMN 0 24.993 3.715 -2.421 3 H3 GLU 1 H3 AMN 0 25.839 4.117 -1.063 4 HA GLU 1 HA GLU 1 23.875 4.697 0.081 5 HB2 GLU 1 HB3 GLU 1 23.369 6.770 -1.069 6 HB3 GLU 1 HB2 GLU 1 25.099 6.438 -1.111 7 HG2 GLU 1 HG3 GLU 1 24.890 5.631 -3.461 8 HG3 GLU 1 HG2 GLU 1 23.152 5.959 -3.418 9 H CYS 2 H CYS 2 23.272 2.770 -2.631 10 HA CYS 2 HA CYS 2 20.366 2.848 -2.150 11 HB2 CYS 2 HB3 CYS 2 19.876 2.934 -4.500 12 HB3 CYS 2 HB2 CYS 2 20.836 4.329 -4.048 13 H LYS 3 H LYS 3 19.295 0.938 -2.523 14 HA LYS 3 HA LYS 3 20.907 -1.488 -2.325 15 HB2 LYS 3 HB3 LYS 3 17.944 -0.839 -2.215 16 HB3 LYS 3 HB2 LYS 3 18.513 -2.507 -2.277 17 HG2 LYS 3 HG3 LYS 3 19.452 -0.537 -0.151 18 HG3 LYS 3 HG2 LYS 3 18.025 -1.563 0.031 19 HD2 LYS 3 HD3 LYS 3 19.397 -3.589 -0.228 20 HD3 LYS 3 HD2 LYS 3 20.858 -2.597 -0.433 21 HE2 LYS 3 HE3 LYS 3 20.533 -1.627 1.809 22 HE3 LYS 3 HE2 LYS 3 19.058 -2.589 2.022 23 HZ1 LYS 3 HZ1 LYS 3 20.389 -4.559 1.832 24 HZ2 LYS 3 HZ2 LYS 3 20.935 -3.608 3.065 25 HZ3 LYS 3 HZ3 LYS 3 21.761 -3.664 1.638 26 H GLY 4 H GLY 4 21.528 -2.718 -3.967 27 HA2 GLY 4 HA2 GLY 4 20.820 -2.191 -6.702 28 HA3 GLY 4 HA3 GLY 4 21.812 -3.516 -6.074 29 H PHE 5 H PHE 5 20.195 -4.099 -8.143 30 HA PHE 5 HA PHE 5 17.572 -4.841 -7.749 31 HB2 PHE 5 HB3 PHE 5 18.643 -4.525 -9.887 32 HB3 PHE 5 HB2 PHE 5 19.841 -5.767 -9.545 33 HD1 PHE 5 HD1 PHE 5 16.079 -5.499 -9.495 34 HD2 PHE 5 HD2 PHE 5 19.556 -7.747 -10.715 35 HE1 PHE 5 HE1 PHE 5 14.611 -7.248 -10.486 36 HE2 PHE 5 HE2 PHE 5 18.084 -9.472 -11.720 37 HZ PHE 5 HZ PHE 5 15.623 -9.216 -11.590 38 H GLY 6 H GLY 6 16.665 -6.357 -6.562 39 HA2 GLY 6 HA2 GLY 6 16.183 -8.378 -5.647 40 HA3 GLY 6 HA3 GLY 6 17.689 -9.043 -6.287 41 H LYS 7 H LYS 7 17.605 -6.126 -4.227 42 HA LYS 7 HA LYS 7 18.609 -7.705 -1.908 43 HB2 LYS 7 HB3 LYS 7 19.448 -4.906 -2.751 44 HB3 LYS 7 HB2 LYS 7 19.914 -5.745 -1.271 45 HG2 LYS 7 HG3 LYS 7 20.908 -7.591 -2.691 46 HG3 LYS 7 HG2 LYS 7 20.630 -6.566 -4.116 47 HD2 LYS 7 HD3 LYS 7 22.042 -4.792 -3.113 48 HD3 LYS 7 HD2 LYS 7 22.290 -5.805 -1.671 49 HE2 LYS 7 HE3 LYS 7 23.325 -7.560 -3.094 50 HE3 LYS 7 HE2 LYS 7 23.130 -6.518 -4.515 51 HZ1 LYS 7 HZ1 LYS 7 25.318 -6.369 -3.591 52 HZ2 LYS 7 HZ2 LYS 7 24.723 -5.892 -2.129 53 HZ3 LYS 7 HZ3 LYS 7 24.547 -4.917 -3.448 54 H SER 8 H SER 8 17.904 -7.203 0.069 55 HA SER 8 HA SER 8 15.195 -6.490 0.277 56 HB2 SER 8 HB3 SER 8 17.341 -6.856 2.407 57 HB3 SER 8 HB2 SER 8 15.601 -6.728 2.732 58 HG SER 8 HG SER 8 16.305 -8.894 2.563 59 H CYS 9 H CYS 9 14.257 -4.600 0.326 60 HA CYS 9 HA CYS 9 15.805 -2.132 0.618 61 HB2 CYS 9 HB3 CYS 9 13.910 -1.096 -0.392 62 HB3 CYS 9 HB2 CYS 9 14.198 -2.586 -1.252 63 H VAL 10 H VAL 10 14.677 -0.294 1.624 64 HA VAL 10 HA VAL 10 13.370 -0.656 4.221 65 HB VAL 10 HB VAL 10 13.915 1.705 2.381 66 HG11 VAL 10 HG11 VAL 10 12.982 3.163 4.202 67 HG12 VAL 10 HG12 VAL 10 12.327 1.706 4.984 68 HG13 VAL 10 HG13 VAL 10 11.753 2.207 3.376 69 HG21 VAL 10 HG21 VAL 10 15.323 2.492 4.215 70 HG22 VAL 10 HG22 VAL 10 15.813 0.851 3.764 71 HG23 VAL 10 HG23 VAL 10 14.837 1.106 5.224 72 HA PRO 11 HA PRO 11 9.615 -1.434 1.760 73 HB2 PRO 11 HB3 PRO 11 7.815 -1.893 3.747 74 HB3 PRO 11 HB2 PRO 11 9.116 -3.039 3.311 75 HG2 PRO 11 HG3 PRO 11 9.125 -0.995 5.555 76 HG3 PRO 11 HG2 PRO 11 9.569 -2.730 5.637 77 HD2 PRO 11 HD3 PRO 11 11.427 -0.736 5.339 78 HD3 PRO 11 HD2 PRO 11 11.636 -2.345 4.585 79 H GLY 12 H GLY 12 9.835 0.663 1.000 80 HA2 GLY 12 HA2 GLY 12 7.583 2.320 1.072 81 HA3 GLY 12 HA3 GLY 12 8.791 3.039 2.149 82 H LYS 13 H LYS 13 10.242 1.245 -0.445 83 HA LYS 13 HA LYS 13 11.512 1.761 -2.155 84 HB2 LYS 13 HB3 LYS 13 9.189 3.611 -2.810 85 HB3 LYS 13 HB2 LYS 13 10.448 3.164 -3.950 86 HG2 LYS 13 HG3 LYS 13 9.639 1.109 -4.342 87 HG3 LYS 13 HG2 LYS 13 9.155 0.801 -2.686 88 HD2 LYS 13 HD3 LYS 13 7.636 2.571 -4.640 89 HD3 LYS 13 HD2 LYS 13 7.248 0.883 -4.288 90 HE2 LYS 13 HE3 LYS 13 7.219 3.146 -2.244 91 HE3 LYS 13 HE2 LYS 13 5.796 2.473 -3.054 92 HZ1 LYS 13 HZ1 LYS 13 6.285 0.370 -2.047 93 HZ2 LYS 13 HZ2 LYS 13 6.103 1.538 -0.896 94 HZ3 LYS 13 HZ3 LYS 13 7.610 0.995 -1.287 95 H ASN 14 H ASN 14 12.423 2.886 0.062 96 HA ASN 14 HA ASN 14 13.119 5.689 -0.474 97 HB2 ASN 14 HB3 ASN 14 12.229 4.998 1.735 98 HB3 ASN 14 HB2 ASN 14 13.636 3.962 1.972 99 HD21 ASN 14 HD21 ASN 14 15.353 4.846 3.041 100 HD22 ASN 14 HD22 ASN 14 15.633 6.560 3.249 101 H GLU 15 H GLU 15 14.556 2.539 -0.860 102 HA GLU 15 HA GLU 15 17.316 3.639 -0.702 103 HB2 GLU 15 HB3 GLU 15 16.220 0.822 -0.398 104 HB3 GLU 15 HB2 GLU 15 17.935 1.204 -0.548 105 HG2 GLU 15 HG3 GLU 15 16.116 2.263 1.645 106 HG3 GLU 15 HG2 GLU 15 17.242 0.909 1.805 107 H CYS 16 H CYS 16 15.254 1.499 -2.751 108 HA CYS 16 HA CYS 16 17.237 0.428 -4.235 109 HB2 CYS 16 HB3 CYS 16 14.431 1.070 -5.173 110 HB3 CYS 16 HB2 CYS 16 15.529 -0.077 -5.942 111 H CYS 17 H CYS 17 18.454 0.814 -5.972 112 HA CYS 17 HA CYS 17 19.229 3.415 -6.595 113 HB2 CYS 17 HB3 CYS 17 19.712 0.860 -8.163 114 HB3 CYS 17 HB2 CYS 17 20.624 2.350 -8.331 115 H SER 18 H SER 18 19.517 4.282 -8.849 116 HA SER 18 HA SER 18 17.014 4.989 -9.967 117 HB2 SER 18 HB3 SER 18 19.849 5.324 -11.027 118 HB3 SER 18 HB2 SER 18 18.407 6.113 -11.699 119 HG SER 18 HG SER 18 18.083 7.069 -9.643 120 H GLY 19 H GLY 19 15.747 3.638 -11.001 121 HA2 GLY 19 HA2 GLY 19 15.238 2.696 -13.198 122 HA3 GLY 19 HA3 GLY 19 16.781 1.841 -13.149 123 H LEU 20 H LEU 20 15.357 1.931 -10.056 124 HA LEU 20 HA LEU 20 14.086 -0.747 -10.301 125 HB2 LEU 20 HB3 LEU 20 15.834 0.257 -8.041 126 HB3 LEU 20 HB2 LEU 20 15.122 -1.345 -8.176 127 HG LEU 20 HG LEU 20 17.296 -0.226 -9.992 128 HD11 LEU 20 HD11 LEU 20 18.014 -0.572 -7.637 129 HD12 LEU 20 HD12 LEU 20 18.829 -1.661 -8.770 130 HD13 LEU 20 HD13 LEU 20 17.506 -2.265 -7.746 131 HD21 LEU 20 HD21 LEU 20 17.590 -2.600 -10.700 132 HD22 LEU 20 HD22 LEU 20 16.026 -1.947 -11.171 133 HD23 LEU 20 HD23 LEU 20 16.137 -3.043 -9.773 134 H THR 21 H THR 21 12.814 -1.230 -8.313 135 HA THR 21 HA THR 21 11.802 0.883 -6.661 136 HB THR 21 HB THR 21 10.496 1.398 -8.674 137 HG1 THR 21 HG1 THR 21 9.595 1.621 -6.602 138 HG21 THR 21 HG21 THR 21 8.799 -0.062 -9.597 139 HG22 THR 21 HG22 THR 21 9.212 -1.363 -8.472 140 HG23 THR 21 HG23 THR 21 10.364 -0.873 -9.734 141 H CYS 22 H CYS 22 11.208 -0.032 -4.728 142 HA CYS 22 HA CYS 22 11.548 -2.860 -4.479 143 HB2 CYS 22 HB3 CYS 22 12.153 -1.134 -2.721 144 HB3 CYS 22 HB2 CYS 22 10.431 -1.086 -2.302 145 H SER 23 H SER 23 10.148 -4.434 -4.622 146 HA SER 23 HA SER 23 7.382 -4.270 -5.154 147 HB2 SER 23 HB3 SER 23 8.939 -6.175 -5.617 148 HB3 SER 23 HB2 SER 23 9.020 -6.507 -3.885 149 HG SER 23 HG SER 23 7.464 -7.795 -4.970 150 H ASN 24 H ASN 24 5.590 -4.345 -3.835 151 HA ASN 24 HA ASN 24 5.747 -3.759 -1.021 152 HB2 ASN 24 HB3 ASN 24 3.891 -3.019 -2.473 153 HB3 ASN 24 HB2 ASN 24 3.426 -4.695 -2.767 154 HD21 ASN 24 HD21 ASN 24 3.825 -2.220 -0.190 155 HD22 ASN 24 HD22 ASN 24 2.629 -2.893 0.894 156 H LYS 25 H LYS 25 5.011 -6.707 -2.956 157 HA LYS 25 HA LYS 25 4.413 -8.359 -0.702 158 HB2 LYS 25 HB3 LYS 25 3.479 -8.605 -2.998 159 HB3 LYS 25 HB2 LYS 25 5.064 -9.123 -3.582 160 HG2 LYS 25 HG3 LYS 25 4.975 -11.071 -1.992 161 HG3 LYS 25 HG2 LYS 25 3.391 -10.505 -1.432 162 HD2 LYS 25 HD3 LYS 25 2.494 -10.785 -3.752 163 HD3 LYS 25 HD2 LYS 25 4.090 -11.340 -4.285 164 HE2 LYS 25 HE3 LYS 25 2.709 -13.277 -3.934 165 HE3 LYS 25 HE2 LYS 25 3.940 -13.238 -2.659 166 HZ1 LYS 25 HZ1 LYS 25 1.151 -12.351 -2.392 167 HZ2 LYS 25 HZ2 LYS 25 2.288 -12.313 -1.198 168 HZ3 LYS 25 HZ3 LYS 25 1.778 -13.759 -1.806 169 H HIS 26 H HIS 26 7.162 -8.512 -3.062 170 HA HIS 26 HA HIS 26 8.564 -10.507 -1.581 171 HB2 HIS 26 HB3 HIS 26 9.480 -8.694 -3.845 172 HB3 HIS 26 HB2 HIS 26 10.359 -10.091 -3.234 173 HD1 HIS 26 HD1 HIS 26 6.884 -9.432 -4.865 174 HD2 HIS 26 HD2 HIS 26 9.891 -12.335 -4.444 175 HE1 HIS 26 HE1 HIS 26 6.212 -11.401 -6.343 176 H LYS 27 H LYS 27 8.642 -6.995 -1.484 177 HA LYS 27 HA LYS 27 9.925 -5.448 -0.522 178 HB2 LYS 27 HB3 LYS 27 10.259 -7.542 1.643 179 HB3 LYS 27 HB2 LYS 27 10.624 -5.815 1.797 180 HG2 LYS 27 HG3 LYS 27 8.257 -5.264 1.256 181 HG3 LYS 27 HG2 LYS 27 7.883 -6.998 1.185 182 HD2 LYS 27 HD3 LYS 27 8.554 -7.259 3.548 183 HD3 LYS 27 HD2 LYS 27 8.935 -5.523 3.635 184 HE2 LYS 27 HE3 LYS 27 6.587 -4.979 3.067 185 HE3 LYS 27 HE2 LYS 27 6.206 -6.710 2.971 186 HZ1 LYS 27 HZ1 LYS 27 6.789 -6.901 5.276 187 HZ2 LYS 27 HZ2 LYS 27 5.592 -5.785 5.073 188 HZ3 LYS 27 HZ3 LYS 27 7.138 -5.291 5.365 189 H TRP 28 H TRP 28 11.167 -6.537 -2.585 190 HA TRP 28 HA TRP 28 13.890 -5.817 -1.853 191 HB2 TRP 28 HB3 TRP 28 14.982 -7.485 -3.132 192 HB3 TRP 28 HB2 TRP 28 14.000 -8.247 -1.912 193 HD1 TRP 28 HD1 TRP 28 11.741 -7.580 -4.795 194 HE1 TRP 28 HE1 TRP 28 11.475 -9.613 -6.250 195 HE3 TRP 28 HE3 TRP 28 15.627 -10.330 -2.958 196 HZ2 TRP 28 HZ2 TRP 28 12.727 -12.231 -6.536 197 HZ3 TRP 28 HZ3 TRP 28 16.061 -12.613 -3.833 198 HH2 TRP 28 HH2 TRP 28 14.615 -13.572 -5.611 199 H CYS 29 H CYS 29 15.147 -5.102 -3.754 200 HA CYS 29 HA CYS 29 13.593 -3.301 -5.371 201 HB2 CYS 29 HB3 CYS 29 16.495 -4.130 -5.602 202 HB3 CYS 29 HB2 CYS 29 15.747 -2.720 -6.353 203 H LYS 30 H LYS 30 12.821 -3.522 -7.387 204 HA LYS 30 HA LYS 30 13.871 -5.559 -9.192 205 HB2 LYS 30 HB3 LYS 30 11.633 -6.392 -9.807 206 HB3 LYS 30 HB2 LYS 30 12.186 -6.867 -8.205 207 HG2 LYS 30 HG3 LYS 30 10.692 -5.250 -7.146 208 HG3 LYS 30 HG2 LYS 30 10.241 -4.572 -8.717 209 HD2 LYS 30 HD3 LYS 30 8.488 -6.057 -7.874 210 HD3 LYS 30 HD2 LYS 30 9.180 -6.679 -9.374 211 HE2 LYS 30 HE3 LYS 30 10.535 -8.305 -8.130 212 HE3 LYS 30 HE2 LYS 30 9.963 -7.642 -6.589 213 HZ1 LYS 30 HZ1 LYS 30 8.773 -9.603 -7.207 214 HZ2 LYS 30 HZ2 LYS 30 8.289 -8.922 -8.630 215 HZ3 LYS 30 HZ3 LYS 30 7.755 -8.306 -7.196 216 H VAL 31 H VAL 31 13.513 -5.156 -11.344 217 HA VAL 31 HA VAL 31 14.079 -2.505 -11.826 218 HB VAL 31 HB VAL 31 13.315 -4.426 -14.043 219 HG11 VAL 31 HG11 VAL 31 13.925 -2.033 -14.591 220 HG12 VAL 31 HG12 VAL 31 15.033 -3.224 -15.289 221 HG13 VAL 31 HG13 VAL 31 15.506 -2.307 -13.844 222 HG21 VAL 31 HG21 VAL 31 14.777 -5.751 -12.629 223 HG22 VAL 31 HG22 VAL 31 15.706 -5.192 -14.017 224 HG23 VAL 31 HG23 VAL 31 15.914 -4.393 -12.444 225 H LEU 32 H LEU 32 12.870 -0.796 -11.866 226 HA LEU 32 HA LEU 32 10.077 -0.611 -12.287 227 HB2 LEU 32 HB3 LEU 32 11.326 1.062 -11.042 228 HB3 LEU 32 HB2 LEU 32 12.366 1.383 -12.418 229 HG LEU 32 HG LEU 32 10.419 2.364 -13.640 230 HD11 LEU 32 HD11 LEU 32 8.559 1.140 -12.538 231 HD12 LEU 32 HD12 LEU 32 8.341 2.888 -12.402 232 HD13 LEU 32 HD13 LEU 32 8.925 1.962 -11.004 233 HD21 LEU 32 HD21 LEU 32 11.949 3.781 -12.329 234 HD22 LEU 32 HD22 LEU 32 10.297 4.420 -12.290 235 HD23 LEU 32 HD23 LEU 32 10.944 3.551 -10.881 236 H LEU 33 H LEU 33 12.834 -0.039 -14.352 237 HA LEU 33 HA LEU 33 11.393 0.828 -16.695 238 HB2 LEU 33 HB3 LEU 33 14.260 -0.129 -16.309 239 HB3 LEU 33 HB2 LEU 33 13.635 0.587 -17.792 240 HG LEU 33 HG LEU 33 13.817 2.020 -15.095 241 HD11 LEU 33 HD11 LEU 33 16.014 1.577 -16.114 242 HD12 LEU 33 HD12 LEU 33 15.620 3.303 -16.149 243 HD13 LEU 33 HD13 LEU 33 15.473 2.331 -17.631 244 HD21 LEU 33 HD21 LEU 33 11.948 2.943 -16.381 245 HD22 LEU 33 HD22 LEU 33 12.967 3.058 -17.835 246 HD23 LEU 33 HD23 LEU 33 13.305 4.070 -16.414 247 HN1 NH2 34 HN1 AMD 34 10.748 -0.287 -18.498 248 HN2 NH2 34 HN2 AMD 34 10.848 -2.027 -18.659 Start of MODEL 13 1 H1 GLU 1 H1 AMN 0 23.722 5.489 0.270 2 H2 GLU 1 H2 AMN 0 24.614 4.203 0.791 3 H3 GLU 1 H3 AMN 0 25.367 5.522 0.148 4 HA GLU 1 HA GLU 1 24.391 5.158 -1.950 5 HB2 GLU 1 HB3 GLU 1 25.673 3.307 -2.683 6 HB3 GLU 1 HB2 GLU 1 26.597 4.193 -1.482 7 HG2 GLU 1 HG3 GLU 1 25.140 1.545 -1.030 8 HG3 GLU 1 HG2 GLU 1 26.865 1.749 -1.288 9 H CYS 2 H CYS 2 22.962 4.248 -3.276 10 HA CYS 2 HA CYS 2 20.603 3.146 -2.164 11 HB2 CYS 2 HB3 CYS 2 19.791 3.187 -4.440 12 HB3 CYS 2 HB2 CYS 2 20.685 4.654 -4.084 13 H LYS 3 H LYS 3 19.538 1.185 -2.666 14 HA LYS 3 HA LYS 3 21.284 -1.166 -2.601 15 HB2 LYS 3 HB3 LYS 3 18.306 -0.663 -2.219 16 HB3 LYS 3 HB2 LYS 3 18.980 -2.279 -2.282 17 HG2 LYS 3 HG3 LYS 3 19.712 -0.149 -0.236 18 HG3 LYS 3 HG2 LYS 3 18.656 -1.543 0.020 19 HD2 LYS 3 HD3 LYS 3 20.646 -3.035 -0.539 20 HD3 LYS 3 HD2 LYS 3 21.660 -1.578 -0.495 21 HE2 LYS 3 HE3 LYS 3 20.947 -1.141 1.825 22 HE3 LYS 3 HE2 LYS 3 19.915 -2.585 1.785 23 HZ1 LYS 3 HZ1 LYS 3 21.874 -3.898 1.426 24 HZ2 LYS 3 HZ2 LYS 3 22.008 -3.028 2.821 25 HZ3 LYS 3 HZ3 LYS 3 22.833 -2.558 1.472 26 H GLY 4 H GLY 4 21.674 -2.501 -4.239 27 HA2 GLY 4 HA2 GLY 4 20.734 -1.917 -6.911 28 HA3 GLY 4 HA3 GLY 4 21.844 -3.195 -6.402 29 H PHE 5 H PHE 5 20.306 -4.071 -8.265 30 HA PHE 5 HA PHE 5 17.690 -4.792 -7.831 31 HB2 PHE 5 HB3 PHE 5 19.012 -4.551 -9.932 32 HB3 PHE 5 HB2 PHE 5 19.915 -5.998 -9.528 33 HD1 PHE 5 HD1 PHE 5 16.291 -6.138 -8.819 34 HD2 PHE 5 HD2 PHE 5 19.344 -6.695 -11.824 35 HE1 PHE 5 HE1 PHE 5 14.717 -7.469 -10.174 36 HE2 PHE 5 HE2 PHE 5 17.743 -8.008 -13.188 37 HZ PHE 5 HZ PHE 5 15.440 -8.391 -12.356 38 H GLY 6 H GLY 6 16.797 -6.263 -6.521 39 HA2 GLY 6 HA2 GLY 6 16.360 -8.260 -5.542 40 HA3 GLY 6 HA3 GLY 6 17.896 -8.915 -6.118 41 H LYS 7 H LYS 7 17.554 -5.930 -4.191 42 HA LYS 7 HA LYS 7 18.807 -7.243 -1.818 43 HB2 LYS 7 HB3 LYS 7 18.835 -4.389 -2.824 44 HB3 LYS 7 HB2 LYS 7 19.453 -4.870 -1.258 45 HG2 LYS 7 HG3 LYS 7 20.526 -5.873 -3.937 46 HG3 LYS 7 HG2 LYS 7 21.218 -4.550 -3.007 47 HD2 LYS 7 HD3 LYS 7 21.040 -7.447 -2.068 48 HD3 LYS 7 HD2 LYS 7 22.476 -6.639 -2.709 49 HE2 LYS 7 HE3 LYS 7 22.383 -4.995 -0.842 50 HE3 LYS 7 HE2 LYS 7 20.985 -5.856 -0.170 51 HZ1 LYS 7 HZ1 LYS 7 23.017 -6.514 0.870 52 HZ2 LYS 7 HZ2 LYS 7 23.660 -6.990 -0.573 53 HZ3 LYS 7 HZ3 LYS 7 22.360 -7.789 0.053 54 H SER 8 H SER 8 17.663 -7.317 -0.011 55 HA SER 8 HA SER 8 14.923 -6.682 0.141 56 HB2 SER 8 HB3 SER 8 16.967 -7.275 2.317 57 HB3 SER 8 HB2 SER 8 15.211 -7.208 2.566 58 HG SER 8 HG SER 8 15.971 -9.330 2.175 59 H CYS 9 H CYS 9 13.963 -4.791 0.340 60 HA CYS 9 HA CYS 9 15.549 -2.402 0.897 61 HB2 CYS 9 HB3 CYS 9 13.767 -1.217 -0.119 62 HB3 CYS 9 HB2 CYS 9 14.016 -2.655 -1.075 63 H VAL 10 H VAL 10 14.509 -0.612 1.963 64 HA VAL 10 HA VAL 10 13.065 -1.078 4.478 65 HB VAL 10 HB VAL 10 13.998 1.390 2.955 66 HG11 VAL 10 HG11 VAL 10 12.372 1.312 5.527 67 HG12 VAL 10 HG12 VAL 10 11.879 2.024 3.975 68 HG13 VAL 10 HG13 VAL 10 13.206 2.746 4.880 69 HG21 VAL 10 HG21 VAL 10 15.434 1.749 4.918 70 HG22 VAL 10 HG22 VAL 10 15.740 0.142 4.245 71 HG23 VAL 10 HG23 VAL 10 14.752 0.309 5.710 72 HA PRO 11 HA PRO 11 9.230 -0.802 1.997 73 HB2 PRO 11 HB3 PRO 11 7.387 -0.726 4.024 74 HB3 PRO 11 HB2 PRO 11 8.227 -2.217 3.500 75 HG2 PRO 11 HG3 PRO 11 8.912 -0.415 5.837 76 HG3 PRO 11 HG2 PRO 11 8.821 -2.204 5.802 77 HD2 PRO 11 HD3 PRO 11 11.178 -0.825 5.573 78 HD3 PRO 11 HD2 PRO 11 10.905 -2.379 4.730 79 H GLY 12 H GLY 12 9.430 1.080 1.034 80 HA2 GLY 12 HA2 GLY 12 8.236 3.520 1.613 81 HA3 GLY 12 HA3 GLY 12 9.910 3.575 2.222 82 H LYS 13 H LYS 13 10.845 1.571 0.266 83 HA LYS 13 HA LYS 13 11.691 1.224 -1.683 84 HB2 LYS 13 HB3 LYS 13 9.912 3.244 -3.081 85 HB3 LYS 13 HB2 LYS 13 10.659 1.784 -3.727 86 HG2 LYS 13 HG3 LYS 13 9.091 0.457 -2.169 87 HG3 LYS 13 HG2 LYS 13 8.263 1.985 -1.852 88 HD2 LYS 13 HD3 LYS 13 7.855 2.247 -4.308 89 HD3 LYS 13 HD2 LYS 13 8.604 0.652 -4.559 90 HE2 LYS 13 HE3 LYS 13 6.899 -0.357 -3.043 91 HE3 LYS 13 HE2 LYS 13 6.128 1.233 -2.882 92 HZ1 LYS 13 HZ1 LYS 13 6.468 -0.263 -5.385 93 HZ2 LYS 13 HZ2 LYS 13 5.746 1.213 -5.238 94 HZ3 LYS 13 HZ3 LYS 13 5.064 -0.114 -4.532 95 H ASN 14 H ASN 14 12.163 3.691 0.113 96 HA ASN 14 HA ASN 14 13.340 5.701 -1.428 97 HB2 ASN 14 HB3 ASN 14 14.280 6.488 0.727 98 HB3 ASN 14 HB2 ASN 14 12.558 6.136 0.804 99 HD21 ASN 14 HD21 ASN 14 15.696 5.378 2.112 100 HD22 ASN 14 HD22 ASN 14 15.174 4.154 3.249 101 H GLU 15 H GLU 15 14.584 2.672 -0.132 102 HA GLU 15 HA GLU 15 17.383 3.232 -0.282 103 HB2 GLU 15 HB3 GLU 15 15.732 0.678 -0.162 104 HB3 GLU 15 HB2 GLU 15 17.490 0.658 -0.253 105 HG2 GLU 15 HG3 GLU 15 15.920 2.083 1.925 106 HG3 GLU 15 HG2 GLU 15 16.619 0.467 2.066 107 H CYS 16 H CYS 16 15.214 1.440 -2.569 108 HA CYS 16 HA CYS 16 17.230 0.440 -4.151 109 HB2 CYS 16 HB3 CYS 16 14.393 1.123 -4.970 110 HB3 CYS 16 HB2 CYS 16 15.474 -0.014 -5.780 111 H CYS 17 H CYS 17 18.271 0.977 -6.016 112 HA CYS 17 HA CYS 17 18.899 3.688 -6.487 113 HB2 CYS 17 HB3 CYS 17 19.437 1.240 -8.208 114 HB3 CYS 17 HB2 CYS 17 20.238 2.789 -8.366 115 H SER 18 H SER 18 19.079 4.540 -8.794 116 HA SER 18 HA SER 18 16.466 5.070 -9.891 117 HB2 SER 18 HB3 SER 18 19.280 5.739 -10.852 118 HB3 SER 18 HB2 SER 18 17.782 6.353 -11.580 119 HG SER 18 HG SER 18 18.677 7.792 -10.045 120 H GLY 19 H GLY 19 15.430 3.502 -10.911 121 HA2 GLY 19 HA2 GLY 19 15.293 2.442 -13.210 122 HA3 GLY 19 HA3 GLY 19 16.817 1.649 -12.787 123 H LEU 20 H LEU 20 15.555 1.760 -9.870 124 HA LEU 20 HA LEU 20 14.096 -0.826 -10.029 125 HB2 LEU 20 HB3 LEU 20 15.960 0.287 -7.906 126 HB3 LEU 20 HB2 LEU 20 15.133 -1.264 -7.811 127 HG LEU 20 HG LEU 20 17.154 -0.586 -9.986 128 HD11 LEU 20 HD11 LEU 20 18.814 -1.772 -8.679 129 HD12 LEU 20 HD12 LEU 20 17.627 -2.088 -7.387 130 HD13 LEU 20 HD13 LEU 20 18.160 -0.435 -7.719 131 HD21 LEU 20 HD21 LEU 20 17.285 -3.029 -10.267 132 HD22 LEU 20 HD22 LEU 20 15.634 -2.462 -10.513 133 HD23 LEU 20 HD23 LEU 20 16.067 -3.263 -8.990 134 H THR 21 H THR 21 12.656 -1.234 -8.326 135 HA THR 21 HA THR 21 11.778 0.844 -6.513 136 HB THR 21 HB THR 21 10.511 1.281 -8.675 137 HG1 THR 21 HG1 THR 21 9.803 1.920 -6.621 138 HG21 THR 21 HG21 THR 21 10.067 -1.146 -9.290 139 HG22 THR 21 HG22 THR 21 8.639 -0.093 -9.301 140 HG23 THR 21 HG23 THR 21 8.902 -1.208 -7.950 141 H CYS 22 H CYS 22 11.050 -0.124 -4.610 142 HA CYS 22 HA CYS 22 11.537 -2.945 -4.449 143 HB2 CYS 22 HB3 CYS 22 12.043 -1.272 -2.634 144 HB3 CYS 22 HB2 CYS 22 10.313 -1.262 -2.266 145 H SER 23 H SER 23 10.201 -4.594 -4.638 146 HA SER 23 HA SER 23 7.468 -4.519 -5.297 147 HB2 SER 23 HB3 SER 23 9.056 -6.382 -5.688 148 HB3 SER 23 HB2 SER 23 9.115 -6.704 -3.954 149 HG SER 23 HG SER 23 7.610 -8.036 -5.062 150 H ASN 24 H ASN 24 5.654 -4.358 -4.099 151 HA ASN 24 HA ASN 24 5.673 -3.741 -1.298 152 HB2 ASN 24 HB3 ASN 24 3.399 -4.522 -3.170 153 HB3 ASN 24 HB2 ASN 24 3.207 -3.838 -1.554 154 HD21 ASN 24 HD21 ASN 24 4.297 -1.654 -1.160 155 HD22 ASN 24 HD22 ASN 24 4.280 -0.504 -2.479 156 H LYS 25 H LYS 25 5.356 -6.748 -3.134 157 HA LYS 25 HA LYS 25 4.273 -8.238 -0.829 158 HB2 LYS 25 HB3 LYS 25 4.777 -9.071 -3.715 159 HB3 LYS 25 HB2 LYS 25 4.048 -10.077 -2.466 160 HG2 LYS 25 HG3 LYS 25 2.873 -7.532 -3.665 161 HG3 LYS 25 HG2 LYS 25 2.340 -9.187 -3.930 162 HD2 LYS 25 HD3 LYS 25 1.729 -9.372 -1.516 163 HD3 LYS 25 HD2 LYS 25 2.172 -7.672 -1.280 164 HE2 LYS 25 HE3 LYS 25 0.055 -8.652 -3.234 165 HE3 LYS 25 HE2 LYS 25 -0.276 -8.043 -1.603 166 HZ1 LYS 25 HZ1 LYS 25 0.685 -5.961 -2.237 167 HZ2 LYS 25 HZ2 LYS 25 -0.563 -6.352 -3.242 168 HZ3 LYS 25 HZ3 LYS 25 0.996 -6.516 -3.758 169 H HIS 26 H HIS 26 6.931 -8.768 -3.222 170 HA HIS 26 HA HIS 26 8.239 -10.755 -1.710 171 HB2 HIS 26 HB3 HIS 26 8.368 -10.242 -4.208 172 HB3 HIS 26 HB2 HIS 26 9.510 -8.963 -3.810 173 HD1 HIS 26 HD1 HIS 26 11.737 -10.090 -2.237 174 HD2 HIS 26 HD2 HIS 26 9.452 -12.492 -4.815 175 HE1 HIS 26 HE1 HIS 26 13.132 -12.169 -2.729 176 H LYS 27 H LYS 27 8.563 -7.234 -1.698 177 HA LYS 27 HA LYS 27 9.853 -5.752 -0.696 178 HB2 LYS 27 HB3 LYS 27 8.759 -6.838 1.290 179 HB3 LYS 27 HB2 LYS 27 10.267 -7.725 1.554 180 HG2 LYS 27 HG3 LYS 27 11.475 -5.516 1.744 181 HG3 LYS 27 HG2 LYS 27 9.945 -4.684 1.448 182 HD2 LYS 27 HD3 LYS 27 10.426 -4.656 3.817 183 HD3 LYS 27 HD2 LYS 27 9.006 -5.675 3.526 184 HE2 LYS 27 HE3 LYS 27 10.443 -7.699 3.670 185 HE3 LYS 27 HE2 LYS 27 11.861 -6.669 3.948 186 HZ1 LYS 27 HZ1 LYS 27 9.497 -6.844 5.679 187 HZ2 LYS 27 HZ2 LYS 27 10.815 -5.889 5.946 188 HZ3 LYS 27 HZ3 LYS 27 10.966 -7.531 5.977 189 H TRP 28 H TRP 28 11.101 -6.529 -2.696 190 HA TRP 28 HA TRP 28 13.761 -5.943 -1.818 191 HB2 TRP 28 HB3 TRP 28 15.011 -7.506 -3.033 192 HB3 TRP 28 HB2 TRP 28 13.917 -8.403 -2.020 193 HD1 TRP 28 HD1 TRP 28 11.808 -7.691 -4.895 194 HE1 TRP 28 HE1 TRP 28 11.869 -9.517 -6.630 195 HE3 TRP 28 HE3 TRP 28 15.966 -10.161 -3.255 196 HZ2 TRP 28 HZ2 TRP 28 13.520 -11.829 -7.259 197 HZ3 TRP 28 HZ3 TRP 28 16.755 -12.190 -4.439 198 HH2 TRP 28 HH2 TRP 28 15.542 -13.031 -6.437 199 H CYS 29 H CYS 29 15.091 -5.035 -3.581 200 HA CYS 29 HA CYS 29 13.618 -3.248 -5.262 201 HB2 CYS 29 HB3 CYS 29 16.525 -4.089 -5.354 202 HB3 CYS 29 HB2 CYS 29 15.829 -2.676 -6.146 203 H LYS 30 H LYS 30 13.005 -3.408 -7.374 204 HA LYS 30 HA LYS 30 14.145 -5.424 -9.121 205 HB2 LYS 30 HB3 LYS 30 11.979 -6.390 -9.788 206 HB3 LYS 30 HB2 LYS 30 12.490 -6.809 -8.159 207 HG2 LYS 30 HG3 LYS 30 10.877 -5.243 -7.192 208 HG3 LYS 30 HG2 LYS 30 10.451 -4.628 -8.795 209 HD2 LYS 30 HD3 LYS 30 8.752 -6.187 -7.962 210 HD3 LYS 30 HD2 LYS 30 9.515 -6.798 -9.433 211 HE2 LYS 30 HE3 LYS 30 10.900 -8.344 -8.150 212 HE3 LYS 30 HE2 LYS 30 10.321 -7.657 -6.623 213 HZ1 LYS 30 HZ1 LYS 30 8.669 -9.062 -8.598 214 HZ2 LYS 30 HZ2 LYS 30 8.134 -8.423 -7.174 215 HZ3 LYS 30 HZ3 LYS 30 9.202 -9.681 -7.164 216 H VAL 31 H VAL 31 13.845 -5.097 -11.264 217 HA VAL 31 HA VAL 31 14.041 -2.394 -11.965 218 HB VAL 31 HB VAL 31 13.821 -4.872 -13.713 219 HG11 VAL 31 HG11 VAL 31 14.809 -2.065 -14.399 220 HG12 VAL 31 HG12 VAL 31 13.368 -2.859 -15.074 221 HG13 VAL 31 HG13 VAL 31 14.974 -3.493 -15.442 222 HG21 VAL 31 HG21 VAL 31 15.763 -4.894 -12.133 223 HG22 VAL 31 HG22 VAL 31 16.277 -4.744 -13.815 224 HG23 VAL 31 HG23 VAL 31 16.274 -3.316 -12.761 225 H LEU 32 H LEU 32 12.471 -0.984 -12.000 226 HA LEU 32 HA LEU 32 9.821 -1.514 -13.090 227 HB2 LEU 32 HB3 LEU 32 10.190 0.094 -11.231 228 HB3 LEU 32 HB2 LEU 32 11.199 1.075 -12.275 229 HG LEU 32 HG LEU 32 9.198 1.457 -13.765 230 HD11 LEU 32 HD11 LEU 32 7.678 -0.037 -11.582 231 HD12 LEU 32 HD12 LEU 32 7.844 -0.528 -13.283 232 HD13 LEU 32 HD13 LEU 32 6.935 0.928 -12.874 233 HD21 LEU 32 HD21 LEU 32 9.820 3.069 -12.002 234 HD22 LEU 32 HD22 LEU 32 8.065 3.012 -12.225 235 HD23 LEU 32 HD23 LEU 32 8.807 2.195 -10.831 236 H LEU 33 H LEU 33 12.620 0.452 -13.890 237 HA LEU 33 HA LEU 33 11.990 0.379 -16.810 238 HB2 LEU 33 HB3 LEU 33 13.247 2.628 -15.188 239 HB3 LEU 33 HB2 LEU 33 13.046 2.615 -16.939 240 HG LEU 33 HG LEU 33 10.790 2.623 -14.889 241 HD11 LEU 33 HD11 LEU 33 10.400 4.926 -15.650 242 HD12 LEU 33 HD12 LEU 33 11.797 4.817 -16.743 243 HD13 LEU 33 HD13 LEU 33 12.030 4.744 -14.982 244 HD21 LEU 33 HD21 LEU 33 9.301 3.076 -16.837 245 HD22 LEU 33 HD22 LEU 33 10.036 1.475 -16.938 246 HD23 LEU 33 HD23 LEU 33 10.669 2.802 -17.937 247 HN1 NH2 34 HN1 AMD 34 13.430 -0.875 -17.838 248 HN2 NH2 34 HN2 AMD 34 15.126 -1.017 -17.434 Start of MODEL 14 1 H1 GLU 1 H1 AMN 0 25.416 5.095 -1.207 2 H2 GLU 1 H2 AMN 0 24.878 4.020 -2.339 3 H3 GLU 1 H3 AMN 0 23.971 5.347 -1.963 4 HA GLU 1 HA GLU 1 24.621 3.138 -0.174 5 HB2 GLU 1 HB3 GLU 1 23.154 4.160 1.458 6 HB3 GLU 1 HB2 GLU 1 24.435 5.284 1.005 7 HG2 GLU 1 HG3 GLU 1 22.864 6.515 -0.467 8 HG3 GLU 1 HG2 GLU 1 21.578 5.363 -0.085 9 H CYS 2 H CYS 2 22.855 3.912 -2.896 10 HA CYS 2 HA CYS 2 20.276 2.972 -2.242 11 HB2 CYS 2 HB3 CYS 2 19.806 3.111 -4.571 12 HB3 CYS 2 HB2 CYS 2 20.828 4.460 -4.125 13 H LYS 3 H LYS 3 19.208 1.065 -2.609 14 HA LYS 3 HA LYS 3 20.811 -1.369 -2.416 15 HB2 LYS 3 HB3 LYS 3 17.857 -0.697 -2.261 16 HB3 LYS 3 HB2 LYS 3 18.405 -2.371 -2.350 17 HG2 LYS 3 HG3 LYS 3 19.458 -0.457 -0.233 18 HG3 LYS 3 HG2 LYS 3 17.977 -1.399 -0.020 19 HD2 LYS 3 HD3 LYS 3 19.197 -3.497 -0.304 20 HD3 LYS 3 HD2 LYS 3 20.716 -2.618 -0.587 21 HE2 LYS 3 HE3 LYS 3 20.595 -1.637 1.662 22 HE3 LYS 3 HE2 LYS 3 19.040 -2.442 1.948 23 HZ1 LYS 3 HZ1 LYS 3 20.146 -4.539 1.719 24 HZ2 LYS 3 HZ2 LYS 3 20.848 -3.645 2.915 25 HZ3 LYS 3 HZ3 LYS 3 21.595 -3.796 1.452 26 H GLY 4 H GLY 4 21.476 -2.511 -4.090 27 HA2 GLY 4 HA2 GLY 4 20.707 -2.023 -6.812 28 HA3 GLY 4 HA3 GLY 4 21.747 -3.317 -6.194 29 H PHE 5 H PHE 5 20.206 -4.058 -8.216 30 HA PHE 5 HA PHE 5 17.566 -4.772 -7.831 31 HB2 PHE 5 HB3 PHE 5 18.661 -4.526 -9.975 32 HB3 PHE 5 HB2 PHE 5 19.843 -5.766 -9.581 33 HD1 PHE 5 HD1 PHE 5 16.074 -5.599 -9.385 34 HD2 PHE 5 HD2 PHE 5 19.563 -7.651 -10.895 35 HE1 PHE 5 HE1 PHE 5 14.628 -7.397 -10.310 36 HE2 PHE 5 HE2 PHE 5 18.109 -9.422 -11.838 37 HZ PHE 5 HZ PHE 5 15.653 -9.289 -11.532 38 H GLY 6 H GLY 6 16.638 -6.277 -6.627 39 HA2 GLY 6 HA2 GLY 6 16.181 -8.222 -5.585 40 HA3 GLY 6 HA3 GLY 6 17.637 -8.947 -6.278 41 H LYS 7 H LYS 7 17.500 -6.001 -4.224 42 HA LYS 7 HA LYS 7 18.701 -7.509 -1.953 43 HB2 LYS 7 HB3 LYS 7 19.387 -4.685 -2.846 44 HB3 LYS 7 HB2 LYS 7 19.972 -5.506 -1.398 45 HG2 LYS 7 HG3 LYS 7 20.998 -7.286 -2.843 46 HG3 LYS 7 HG2 LYS 7 20.536 -6.341 -4.276 47 HD2 LYS 7 HD3 LYS 7 21.865 -4.426 -3.428 48 HD3 LYS 7 HD2 LYS 7 22.342 -5.386 -2.011 49 HE2 LYS 7 HE3 LYS 7 23.446 -7.034 -3.453 50 HE3 LYS 7 HE2 LYS 7 22.905 -6.175 -4.906 51 HZ1 LYS 7 HZ1 LYS 7 24.208 -4.301 -4.207 52 HZ2 LYS 7 HZ2 LYS 7 25.155 -5.644 -4.351 53 HZ3 LYS 7 HZ3 LYS 7 24.713 -5.102 -2.857 54 H SER 8 H SER 8 18.048 -7.005 0.046 55 HA SER 8 HA SER 8 15.300 -6.435 0.305 56 HB2 SER 8 HB3 SER 8 17.498 -6.716 2.395 57 HB3 SER 8 HB2 SER 8 15.759 -6.680 2.749 58 HG SER 8 HG SER 8 17.077 -8.552 1.074 59 H CYS 9 H CYS 9 14.322 -4.556 0.261 60 HA CYS 9 HA CYS 9 15.776 -2.053 0.593 61 HB2 CYS 9 HB3 CYS 9 13.852 -1.053 -0.380 62 HB3 CYS 9 HB2 CYS 9 14.147 -2.533 -1.254 63 H VAL 10 H VAL 10 14.658 -0.252 1.635 64 HA VAL 10 HA VAL 10 13.389 -0.643 4.247 65 HB VAL 10 HB VAL 10 13.896 1.730 2.410 66 HG11 VAL 10 HG11 VAL 10 11.746 2.220 3.432 67 HG12 VAL 10 HG12 VAL 10 12.979 3.177 4.249 68 HG13 VAL 10 HG13 VAL 10 12.340 1.714 5.031 69 HG21 VAL 10 HG21 VAL 10 15.322 2.518 4.235 70 HG22 VAL 10 HG22 VAL 10 15.820 0.887 3.757 71 HG23 VAL 10 HG23 VAL 10 14.863 1.118 5.236 72 HA PRO 11 HA PRO 11 9.570 -1.387 1.863 73 HB2 PRO 11 HB3 PRO 11 7.799 -1.768 3.894 74 HB3 PRO 11 HB2 PRO 11 9.053 -2.958 3.439 75 HG2 PRO 11 HG3 PRO 11 9.174 -0.900 5.667 76 HG3 PRO 11 HG2 PRO 11 9.573 -2.646 5.748 77 HD2 PRO 11 HD3 PRO 11 11.474 -0.703 5.396 78 HD3 PRO 11 HD2 PRO 11 11.625 -2.322 4.651 79 H GLY 12 H GLY 12 9.783 0.664 1.043 80 HA2 GLY 12 HA2 GLY 12 7.627 2.412 1.115 81 HA3 GLY 12 HA3 GLY 12 8.840 3.090 2.214 82 H LYS 13 H LYS 13 10.232 1.240 -0.387 83 HA LYS 13 HA LYS 13 11.500 1.685 -2.107 84 HB2 LYS 13 HB3 LYS 13 9.394 3.787 -2.752 85 HB3 LYS 13 HB2 LYS 13 10.540 3.084 -3.896 86 HG2 LYS 13 HG3 LYS 13 9.525 0.884 -3.672 87 HG3 LYS 13 HG2 LYS 13 8.424 1.465 -2.411 88 HD2 LYS 13 HD3 LYS 13 7.365 3.023 -3.994 89 HD3 LYS 13 HD2 LYS 13 8.501 2.538 -5.259 90 HE2 LYS 13 HE3 LYS 13 6.391 1.406 -5.617 91 HE3 LYS 13 HE2 LYS 13 7.617 0.215 -5.153 92 HZ1 LYS 13 HZ1 LYS 13 6.726 0.268 -2.935 93 HZ2 LYS 13 HZ2 LYS 13 5.553 -0.138 -4.022 94 HZ3 LYS 13 HZ3 LYS 13 5.589 1.379 -3.374 95 H ASN 14 H ASN 14 12.227 3.054 0.326 96 HA ASN 14 HA ASN 14 13.060 5.729 -0.339 97 HB2 ASN 14 HB3 ASN 14 12.328 5.008 1.934 98 HB3 ASN 14 HB2 ASN 14 13.771 4.002 2.066 99 HD21 ASN 14 HD21 ASN 14 12.767 7.413 1.425 100 HD22 ASN 14 HD22 ASN 14 14.121 8.142 2.259 101 H GLU 15 H GLU 15 14.503 2.602 -0.822 102 HA GLU 15 HA GLU 15 17.256 3.721 -0.760 103 HB2 GLU 15 HB3 GLU 15 16.208 0.893 -0.408 104 HB3 GLU 15 HB2 GLU 15 17.915 1.311 -0.576 105 HG2 GLU 15 HG3 GLU 15 16.091 2.338 1.629 106 HG3 GLU 15 HG2 GLU 15 17.258 1.022 1.784 107 H CYS 16 H CYS 16 15.140 1.592 -2.773 108 HA CYS 16 HA CYS 16 17.105 0.512 -4.289 109 HB2 CYS 16 HB3 CYS 16 14.285 1.153 -5.182 110 HB3 CYS 16 HB2 CYS 16 15.374 0.015 -5.974 111 H CYS 17 H CYS 17 18.305 0.908 -6.035 112 HA CYS 17 HA CYS 17 19.035 3.528 -6.680 113 HB2 CYS 17 HB3 CYS 17 19.577 0.980 -8.241 114 HB3 CYS 17 HB2 CYS 17 20.480 2.476 -8.372 115 H SER 18 H SER 18 19.386 4.258 -9.013 116 HA SER 18 HA SER 18 16.908 4.954 -10.188 117 HB2 SER 18 HB3 SER 18 18.943 6.334 -10.266 118 HB3 SER 18 HB2 SER 18 19.739 5.123 -11.294 119 HG SER 18 HG SER 18 17.363 6.554 -11.911 120 H GLY 19 H GLY 19 15.620 3.581 -11.167 121 HA2 GLY 19 HA2 GLY 19 15.019 2.510 -13.224 122 HA3 GLY 19 HA3 GLY 19 16.607 1.737 -13.290 123 H LEU 20 H LEU 20 15.168 1.897 -10.151 124 HA LEU 20 HA LEU 20 14.042 -0.849 -10.271 125 HB2 LEU 20 HB3 LEU 20 15.790 0.292 -8.072 126 HB3 LEU 20 HB2 LEU 20 15.088 -1.320 -8.108 127 HG LEU 20 HG LEU 20 17.218 -0.301 -10.030 128 HD11 LEU 20 HD11 LEU 20 18.784 -1.648 -8.748 129 HD12 LEU 20 HD12 LEU 20 17.484 -2.181 -7.653 130 HD13 LEU 20 HD13 LEU 20 17.988 -0.485 -7.676 131 HD21 LEU 20 HD21 LEU 20 15.891 -2.126 -11.025 132 HD22 LEU 20 HD22 LEU 20 16.137 -3.125 -9.578 133 HD23 LEU 20 HD23 LEU 20 17.508 -2.683 -10.628 134 H THR 21 H THR 21 12.828 -1.284 -8.204 135 HA THR 21 HA THR 21 11.669 0.854 -6.696 136 HB THR 21 HB THR 21 10.407 1.213 -8.777 137 HG1 THR 21 HG1 THR 21 8.365 1.038 -7.813 138 HG21 THR 21 HG21 THR 21 8.800 -0.357 -9.673 139 HG22 THR 21 HG22 THR 21 9.222 -1.583 -8.470 140 HG23 THR 21 HG23 THR 21 10.393 -1.117 -9.724 141 H CYS 22 H CYS 22 11.048 -0.022 -4.731 142 HA CYS 22 HA CYS 22 11.471 -2.851 -4.423 143 HB2 CYS 22 HB3 CYS 22 12.072 -1.101 -2.691 144 HB3 CYS 22 HB2 CYS 22 10.351 -1.062 -2.263 145 H SER 23 H SER 23 10.079 -4.426 -4.634 146 HA SER 23 HA SER 23 7.286 -4.247 -5.068 147 HB2 SER 23 HB3 SER 23 8.829 -6.131 -5.672 148 HB3 SER 23 HB2 SER 23 8.961 -6.540 -3.959 149 HG SER 23 HG SER 23 6.571 -6.478 -5.497 150 H ASN 24 H ASN 24 5.563 -4.255 -3.657 151 HA ASN 24 HA ASN 24 5.892 -3.931 -0.807 152 HB2 ASN 24 HB3 ASN 24 4.005 -2.958 -2.065 153 HB3 ASN 24 HB2 ASN 24 3.445 -4.573 -2.511 154 HD21 ASN 24 HD21 ASN 24 4.238 -2.541 0.375 155 HD22 ASN 24 HD22 ASN 24 3.002 -3.219 1.410 156 H LYS 25 H LYS 25 5.022 -6.630 -2.997 157 HA LYS 25 HA LYS 25 4.326 -8.537 -1.030 158 HB2 LYS 25 HB3 LYS 25 3.661 -8.549 -3.421 159 HB3 LYS 25 HB2 LYS 25 5.322 -8.915 -3.888 160 HG2 LYS 25 HG3 LYS 25 5.176 -11.073 -2.600 161 HG3 LYS 25 HG2 LYS 25 3.508 -10.663 -2.159 162 HD2 LYS 25 HD3 LYS 25 2.869 -10.651 -4.562 163 HD3 LYS 25 HD2 LYS 25 4.550 -10.967 -5.016 164 HE2 LYS 25 HE3 LYS 25 3.349 -13.043 -5.143 165 HE3 LYS 25 HE2 LYS 25 4.455 -13.130 -3.758 166 HZ1 LYS 25 HZ1 LYS 25 2.598 -12.624 -2.340 167 HZ2 LYS 25 HZ2 LYS 25 2.288 -13.977 -3.235 168 HZ3 LYS 25 HZ3 LYS 25 1.579 -12.542 -3.636 169 H HIS 26 H HIS 26 7.330 -8.393 -3.060 170 HA HIS 26 HA HIS 26 8.589 -10.487 -1.535 171 HB2 HIS 26 HB3 HIS 26 9.636 -8.679 -3.743 172 HB3 HIS 26 HB2 HIS 26 10.467 -10.095 -3.103 173 HD1 HIS 26 HD1 HIS 26 7.431 -9.193 -5.272 174 HD2 HIS 26 HD2 HIS 26 9.592 -12.513 -3.876 175 HE1 HIS 26 HE1 HIS 26 6.606 -11.213 -6.596 176 H LYS 27 H LYS 27 8.691 -6.975 -1.416 177 HA LYS 27 HA LYS 27 9.962 -5.441 -0.421 178 HB2 LYS 27 HB3 LYS 27 10.269 -7.530 1.752 179 HB3 LYS 27 HB2 LYS 27 10.695 -5.816 1.891 180 HG2 LYS 27 HG3 LYS 27 8.334 -5.197 1.347 181 HG3 LYS 27 HG2 LYS 27 7.913 -6.923 1.339 182 HD2 LYS 27 HD3 LYS 27 8.580 -7.125 3.706 183 HD3 LYS 27 HD2 LYS 27 9.114 -5.437 3.716 184 HE2 LYS 27 HE3 LYS 27 6.946 -5.531 4.751 185 HE3 LYS 27 HE2 LYS 27 6.781 -4.716 3.186 186 HZ1 LYS 27 HZ1 LYS 27 5.044 -6.300 3.558 187 HZ2 LYS 27 HZ2 LYS 27 6.131 -7.527 3.742 188 HZ3 LYS 27 HZ3 LYS 27 5.973 -6.777 2.281 189 H TRP 28 H TRP 28 11.171 -6.501 -2.487 190 HA TRP 28 HA TRP 28 13.894 -5.794 -1.781 191 HB2 TRP 28 HB3 TRP 28 15.017 -7.471 -2.927 192 HB3 TRP 28 HB2 TRP 28 13.910 -8.284 -1.858 193 HD1 TRP 28 HD1 TRP 28 11.724 -7.616 -4.664 194 HE1 TRP 28 HE1 TRP 28 11.703 -9.451 -6.387 195 HE3 TRP 28 HE3 TRP 28 15.930 -10.105 -3.174 196 HZ2 TRP 28 HZ2 TRP 28 13.333 -11.758 -7.089 197 HZ3 TRP 28 HZ3 TRP 28 16.681 -12.120 -4.404 198 HH2 TRP 28 HH2 TRP 28 15.396 -12.952 -6.360 199 H CYS 29 H CYS 29 15.114 -5.024 -3.692 200 HA CYS 29 HA CYS 29 13.501 -3.309 -5.339 201 HB2 CYS 29 HB3 CYS 29 16.419 -4.063 -5.576 202 HB3 CYS 29 HB2 CYS 29 15.631 -2.690 -6.351 203 H LYS 30 H LYS 30 12.849 -3.509 -7.413 204 HA LYS 30 HA LYS 30 13.867 -5.630 -9.137 205 HB2 LYS 30 HB3 LYS 30 11.608 -6.385 -9.789 206 HB3 LYS 30 HB2 LYS 30 12.097 -6.848 -8.164 207 HG2 LYS 30 HG3 LYS 30 10.641 -5.192 -7.164 208 HG3 LYS 30 HG2 LYS 30 10.302 -4.451 -8.735 209 HD2 LYS 30 HD3 LYS 30 8.426 -5.843 -7.967 210 HD3 LYS 30 HD2 LYS 30 9.108 -6.431 -9.486 211 HE2 LYS 30 HE3 LYS 30 10.335 -8.200 -8.294 212 HE3 LYS 30 HE2 LYS 30 9.742 -7.592 -6.738 213 HZ1 LYS 30 HZ1 LYS 30 8.079 -8.646 -8.915 214 HZ2 LYS 30 HZ2 LYS 30 7.523 -8.081 -7.468 215 HZ3 LYS 30 HZ3 LYS 30 8.461 -9.436 -7.518 216 H VAL 31 H VAL 31 13.455 -5.300 -11.334 217 HA VAL 31 HA VAL 31 14.127 -2.700 -11.995 218 HB VAL 31 HB VAL 31 13.229 -4.921 -13.864 219 HG11 VAL 31 HG11 VAL 31 13.348 -2.746 -15.023 220 HG12 VAL 31 HG12 VAL 31 14.700 -3.771 -15.513 221 HG13 VAL 31 HG13 VAL 31 14.969 -2.458 -14.346 222 HG21 VAL 31 HG21 VAL 31 15.682 -5.392 -14.062 223 HG22 VAL 31 HG22 VAL 31 15.992 -4.229 -12.753 224 HG23 VAL 31 HG23 VAL 31 15.062 -5.713 -12.445 225 H LEU 32 H LEU 32 12.961 -0.959 -11.950 226 HA LEU 32 HA LEU 32 10.174 -0.763 -12.719 227 HB2 LEU 32 HB3 LEU 32 11.119 0.742 -11.038 228 HB3 LEU 32 HB2 LEU 32 12.342 1.299 -12.166 229 HG LEU 32 HG LEU 32 10.531 2.318 -13.571 230 HD11 LEU 32 HD11 LEU 32 8.684 1.472 -11.291 231 HD12 LEU 32 HD12 LEU 32 8.619 0.876 -12.967 232 HD13 LEU 32 HD13 LEU 32 8.256 2.570 -12.618 233 HD21 LEU 32 HD21 LEU 32 10.528 3.164 -10.641 234 HD22 LEU 32 HD22 LEU 32 11.731 3.636 -11.863 235 HD23 LEU 32 HD23 LEU 32 10.049 4.173 -12.024 236 H LEU 33 H LEU 33 13.206 0.495 -13.993 237 HA LEU 33 HA LEU 33 12.018 0.960 -16.667 238 HB2 LEU 33 HB3 LEU 33 14.663 1.885 -15.482 239 HB3 LEU 33 HB2 LEU 33 14.014 2.343 -17.054 240 HG LEU 33 HG LEU 33 12.803 3.047 -14.339 241 HD11 LEU 33 HD11 LEU 33 14.891 4.259 -14.868 242 HD12 LEU 33 HD12 LEU 33 13.487 5.338 -14.885 243 HD13 LEU 33 HD13 LEU 33 14.198 4.785 -16.417 244 HD21 LEU 33 HD21 LEU 33 10.991 2.833 -15.992 245 HD22 LEU 33 HD22 LEU 33 11.892 3.845 -17.143 246 HD23 LEU 33 HD23 LEU 33 11.277 4.535 -15.624 247 HN1 NH2 34 HN1 AMD 34 12.063 -0.893 -17.855 248 HN2 NH2 34 HN2 AMD 34 13.498 -1.856 -18.131 Start of MODEL 15 1 H1 GLU 1 H1 AMN 0 25.112 5.991 -0.086 2 H2 GLU 1 H2 AMN 0 23.696 6.502 -0.763 3 H3 GLU 1 H3 AMN 0 23.671 5.556 0.589 4 HA GLU 1 HA GLU 1 24.652 4.776 -2.045 5 HB2 GLU 1 HB3 GLU 1 24.991 2.556 -1.177 6 HB3 GLU 1 HB2 GLU 1 25.891 3.725 -0.231 7 HG2 GLU 1 HG3 GLU 1 25.013 2.178 1.322 8 HG3 GLU 1 HG2 GLU 1 24.059 3.642 1.525 9 H CYS 2 H CYS 2 23.415 2.818 -2.873 10 HA CYS 2 HA CYS 2 20.561 2.832 -2.168 11 HB2 CYS 2 HB3 CYS 2 19.890 2.981 -4.480 12 HB3 CYS 2 HB2 CYS 2 20.858 4.380 -4.050 13 H LYS 3 H LYS 3 19.463 0.927 -2.631 14 HA LYS 3 HA LYS 3 21.107 -1.496 -2.590 15 HB2 LYS 3 HB3 LYS 3 18.143 -0.909 -2.302 16 HB3 LYS 3 HB2 LYS 3 18.777 -2.547 -2.349 17 HG2 LYS 3 HG3 LYS 3 19.593 -0.456 -0.277 18 HG3 LYS 3 HG2 LYS 3 18.326 -1.656 -0.071 19 HD2 LYS 3 HD3 LYS 3 20.012 -2.755 0.982 20 HD3 LYS 3 HD2 LYS 3 20.268 -3.384 -0.649 21 HE2 LYS 3 HE3 LYS 3 22.038 -1.620 -0.980 22 HE3 LYS 3 HE2 LYS 3 21.741 -1.062 0.674 23 HZ1 LYS 3 HZ1 LYS 3 23.599 -2.537 0.546 24 HZ2 LYS 3 HZ2 LYS 3 22.667 -3.738 -0.092 25 HZ3 LYS 3 HZ3 LYS 3 22.398 -3.217 1.449 26 H GLY 4 H GLY 4 21.616 -2.670 -4.276 27 HA2 GLY 4 HA2 GLY 4 20.703 -2.122 -6.953 28 HA3 GLY 4 HA3 GLY 4 21.787 -3.414 -6.417 29 H PHE 5 H PHE 5 20.215 -4.237 -8.320 30 HA PHE 5 HA PHE 5 17.579 -4.895 -7.875 31 HB2 PHE 5 HB3 PHE 5 18.711 -4.708 -10.033 32 HB3 PHE 5 HB2 PHE 5 19.793 -6.028 -9.625 33 HD1 PHE 5 HD1 PHE 5 16.039 -5.610 -9.397 34 HD2 PHE 5 HD2 PHE 5 19.372 -7.872 -10.957 35 HE1 PHE 5 HE1 PHE 5 14.470 -7.288 -10.335 36 HE2 PHE 5 HE2 PHE 5 17.792 -9.529 -11.908 37 HZ PHE 5 HZ PHE 5 15.354 -9.231 -11.584 38 H GLY 6 H GLY 6 16.625 -6.365 -6.662 39 HA2 GLY 6 HA2 GLY 6 16.126 -8.276 -5.579 40 HA3 GLY 6 HA3 GLY 6 17.550 -9.051 -6.284 41 H LYS 7 H LYS 7 17.488 -6.095 -4.235 42 HA LYS 7 HA LYS 7 18.712 -7.615 -1.985 43 HB2 LYS 7 HB3 LYS 7 19.417 -4.812 -2.924 44 HB3 LYS 7 HB2 LYS 7 20.024 -5.617 -1.475 45 HG2 LYS 7 HG3 LYS 7 21.013 -7.421 -2.903 46 HG3 LYS 7 HG2 LYS 7 20.500 -6.523 -4.348 47 HD2 LYS 7 HD3 LYS 7 21.856 -4.582 -3.615 48 HD3 LYS 7 HD2 LYS 7 22.392 -5.495 -2.189 49 HE2 LYS 7 HE3 LYS 7 23.451 -7.180 -3.610 50 HE3 LYS 7 HE2 LYS 7 22.826 -6.398 -5.072 51 HZ1 LYS 7 HZ1 LYS 7 24.137 -4.479 -4.532 52 HZ2 LYS 7 HZ2 LYS 7 25.093 -5.816 -4.662 53 HZ3 LYS 7 HZ3 LYS 7 24.723 -5.208 -3.174 54 H SER 8 H SER 8 18.193 -7.010 0.052 55 HA SER 8 HA SER 8 15.482 -6.406 0.482 56 HB2 SER 8 HB3 SER 8 16.887 -7.855 1.917 57 HB3 SER 8 HB2 SER 8 17.797 -6.432 2.465 58 HG SER 8 HG SER 8 15.006 -6.871 2.777 59 H CYS 9 H CYS 9 14.393 -4.620 0.957 60 HA CYS 9 HA CYS 9 15.823 -2.017 0.833 61 HB2 CYS 9 HB3 CYS 9 13.926 -1.255 -0.418 62 HB3 CYS 9 HB2 CYS 9 14.393 -2.801 -1.092 63 H VAL 10 H VAL 10 14.297 -0.221 1.470 64 HA VAL 10 HA VAL 10 12.631 -0.658 3.875 65 HB VAL 10 HB VAL 10 13.437 1.857 2.351 66 HG11 VAL 10 HG11 VAL 10 11.125 2.145 3.103 67 HG12 VAL 10 HG12 VAL 10 12.184 3.075 4.166 68 HG13 VAL 10 HG13 VAL 10 11.531 1.519 4.717 69 HG21 VAL 10 HG21 VAL 10 14.517 2.507 4.461 70 HG22 VAL 10 HG22 VAL 10 15.185 0.973 3.887 71 HG23 VAL 10 HG23 VAL 10 14.007 0.977 5.216 72 HA PRO 11 HA PRO 11 9.700 -1.353 0.450 73 HB2 PRO 11 HB3 PRO 11 7.647 -2.464 1.787 74 HB3 PRO 11 HB2 PRO 11 9.249 -3.248 1.690 75 HG2 PRO 11 HG3 PRO 11 8.201 -1.502 3.952 76 HG3 PRO 11 HG2 PRO 11 8.871 -3.163 4.074 77 HD2 PRO 11 HD3 PRO 11 10.415 -0.930 4.448 78 HD3 PRO 11 HD2 PRO 11 11.064 -2.412 3.679 79 H GLY 12 H GLY 12 10.049 1.256 1.230 80 HA2 GLY 12 HA2 GLY 12 7.414 2.380 0.528 81 HA3 GLY 12 HA3 GLY 12 8.319 3.135 1.856 82 H LYS 13 H LYS 13 10.009 1.597 -0.798 83 HA LYS 13 HA LYS 13 11.543 2.260 -2.245 84 HB2 LYS 13 HB3 LYS 13 9.394 4.284 -2.966 85 HB3 LYS 13 HB2 LYS 13 10.806 3.888 -3.940 86 HG2 LYS 13 HG3 LYS 13 9.089 2.705 -4.894 87 HG3 LYS 13 HG2 LYS 13 10.015 1.488 -4.030 88 HD2 LYS 13 HD3 LYS 13 8.309 1.262 -2.347 89 HD3 LYS 13 HD2 LYS 13 7.487 2.747 -2.861 90 HE2 LYS 13 HE3 LYS 13 7.774 0.268 -4.603 91 HE3 LYS 13 HE2 LYS 13 6.387 0.570 -3.540 92 HZ1 LYS 13 HZ1 LYS 13 5.961 2.572 -4.755 93 HZ2 LYS 13 HZ2 LYS 13 5.950 1.266 -5.762 94 HZ3 LYS 13 HZ3 LYS 13 7.243 2.290 -5.753 95 H ASN 14 H ASN 14 12.694 2.897 -0.177 96 HA ASN 14 HA ASN 14 13.650 5.712 -0.400 97 HB2 ASN 14 HB3 ASN 14 13.168 4.176 2.176 98 HB3 ASN 14 HB2 ASN 14 13.855 5.792 2.052 99 HD21 ASN 14 HD21 ASN 14 11.226 4.575 3.252 100 HD22 ASN 14 HD22 ASN 14 10.001 5.679 2.675 101 H GLU 15 H GLU 15 14.633 2.785 -1.196 102 HA GLU 15 HA GLU 15 17.459 3.277 -0.398 103 HB2 GLU 15 HB3 GLU 15 15.889 0.679 -0.294 104 HB3 GLU 15 HB2 GLU 15 17.641 0.733 -0.378 105 HG2 GLU 15 HG3 GLU 15 16.048 2.068 1.841 106 HG3 GLU 15 HG2 GLU 15 16.741 0.448 1.939 107 H CYS 16 H CYS 16 15.289 1.424 -2.639 108 HA CYS 16 HA CYS 16 17.300 0.377 -4.160 109 HB2 CYS 16 HB3 CYS 16 14.482 1.061 -5.036 110 HB3 CYS 16 HB2 CYS 16 15.565 -0.081 -5.831 111 H CYS 17 H CYS 17 18.390 0.821 -6.020 112 HA CYS 17 HA CYS 17 19.115 3.491 -6.544 113 HB2 CYS 17 HB3 CYS 17 19.612 1.005 -8.220 114 HB3 CYS 17 HB2 CYS 17 20.479 2.520 -8.352 115 H SER 18 H SER 18 19.379 4.242 -8.925 116 HA SER 18 HA SER 18 16.834 4.887 -10.053 117 HB2 SER 18 HB3 SER 18 18.806 6.353 -10.166 118 HB3 SER 18 HB2 SER 18 19.652 5.159 -11.173 119 HG SER 18 HG SER 18 17.963 5.416 -12.709 120 H GLY 19 H GLY 19 15.603 3.470 -11.048 121 HA2 GLY 19 HA2 GLY 19 15.071 2.257 -13.050 122 HA3 GLY 19 HA3 GLY 19 16.688 1.549 -13.052 123 H LEU 20 H LEU 20 15.091 1.873 -9.975 124 HA LEU 20 HA LEU 20 14.011 -0.878 -9.956 125 HB2 LEU 20 HB3 LEU 20 15.971 0.293 -7.950 126 HB3 LEU 20 HB2 LEU 20 15.101 -1.219 -7.729 127 HG LEU 20 HG LEU 20 17.051 -0.757 -10.016 128 HD11 LEU 20 HD11 LEU 20 18.712 -1.937 -8.714 129 HD12 LEU 20 HD12 LEU 20 17.574 -2.128 -7.355 130 HD13 LEU 20 HD13 LEU 20 18.158 -0.521 -7.808 131 HD21 LEU 20 HD21 LEU 20 17.047 -3.203 -10.172 132 HD22 LEU 20 HD22 LEU 20 15.399 -2.607 -10.327 133 HD23 LEU 20 HD23 LEU 20 15.923 -3.320 -8.794 134 H THR 21 H THR 21 12.717 -1.270 -8.048 135 HA THR 21 HA THR 21 11.697 0.864 -6.423 136 HB THR 21 HB THR 21 10.477 1.425 -8.460 137 HG1 THR 21 HG1 THR 21 8.404 1.254 -7.555 138 HG21 THR 21 HG21 THR 21 10.397 -0.806 -9.606 139 HG22 THR 21 HG22 THR 21 8.826 -0.002 -9.513 140 HG23 THR 21 HG23 THR 21 9.189 -1.342 -8.416 141 H CYS 22 H CYS 22 11.122 -0.084 -4.503 142 HA CYS 22 HA CYS 22 11.457 -2.926 -4.358 143 HB2 CYS 22 HB3 CYS 22 12.166 -1.231 -2.589 144 HB3 CYS 22 HB2 CYS 22 10.472 -1.235 -2.055 145 H SER 23 H SER 23 10.022 -4.474 -4.542 146 HA SER 23 HA SER 23 7.256 -4.196 -4.962 147 HB2 SER 23 HB3 SER 23 8.706 -6.112 -5.607 148 HB3 SER 23 HB2 SER 23 8.841 -6.577 -3.905 149 HG SER 23 HG SER 23 7.196 -7.723 -5.015 150 H ASN 24 H ASN 24 5.473 -4.419 -3.628 151 HA ASN 24 HA ASN 24 5.671 -4.004 -0.780 152 HB2 ASN 24 HB3 ASN 24 3.790 -3.162 -2.101 153 HB3 ASN 24 HB2 ASN 24 3.351 -4.799 -2.588 154 HD21 ASN 24 HD21 ASN 24 1.830 -5.833 -1.345 155 HD22 ASN 24 HD22 ASN 24 1.378 -5.372 0.281 156 H LYS 25 H LYS 25 5.001 -6.823 -2.915 157 HA LYS 25 HA LYS 25 4.396 -8.668 -0.819 158 HB2 LYS 25 HB3 LYS 25 5.117 -9.005 -3.762 159 HB3 LYS 25 HB2 LYS 25 4.798 -10.358 -2.692 160 HG2 LYS 25 HG3 LYS 25 2.814 -9.916 -3.922 161 HG3 LYS 25 HG2 LYS 25 2.532 -9.552 -2.226 162 HD2 LYS 25 HD3 LYS 25 1.442 -7.951 -3.756 163 HD3 LYS 25 HD2 LYS 25 2.583 -7.153 -2.677 164 HE2 LYS 25 HE3 LYS 25 4.274 -7.110 -4.499 165 HE3 LYS 25 HE2 LYS 25 3.136 -7.948 -5.571 166 HZ1 LYS 25 HZ1 LYS 25 3.138 -5.599 -5.936 167 HZ2 LYS 25 HZ2 LYS 25 2.727 -5.304 -4.366 168 HZ3 LYS 25 HZ3 LYS 25 1.668 -6.081 -5.363 169 H HIS 26 H HIS 26 7.190 -8.742 -3.095 170 HA HIS 26 HA HIS 26 8.634 -10.644 -1.580 171 HB2 HIS 26 HB3 HIS 26 9.508 -8.785 -3.823 172 HB3 HIS 26 HB2 HIS 26 10.454 -10.139 -3.207 173 HD1 HIS 26 HD1 HIS 26 9.597 -12.609 -3.864 174 HD2 HIS 26 HD2 HIS 26 7.347 -9.397 -5.368 175 HE1 HIS 26 HE1 HIS 26 8.038 -13.572 -5.641 176 H LYS 27 H LYS 27 8.654 -7.122 -1.464 177 HA LYS 27 HA LYS 27 9.913 -5.569 -0.477 178 HB2 LYS 27 HB3 LYS 27 10.252 -7.644 1.705 179 HB3 LYS 27 HB2 LYS 27 10.571 -5.907 1.844 180 HG2 LYS 27 HG3 LYS 27 8.177 -5.448 1.241 181 HG3 LYS 27 HG2 LYS 27 7.874 -7.196 1.265 182 HD2 LYS 27 HD3 LYS 27 8.550 -7.297 3.647 183 HD3 LYS 27 HD2 LYS 27 8.921 -5.566 3.617 184 HE2 LYS 27 HE3 LYS 27 6.764 -5.823 4.632 185 HE3 LYS 27 HE2 LYS 27 6.528 -5.097 3.033 186 HZ1 LYS 27 HZ1 LYS 27 5.942 -7.268 2.218 187 HZ2 LYS 27 HZ2 LYS 27 4.960 -6.834 3.470 188 HZ3 LYS 27 HZ3 LYS 27 6.166 -7.933 3.710 189 H TRP 28 H TRP 28 11.184 -6.711 -2.516 190 HA TRP 28 HA TRP 28 13.875 -5.912 -1.758 191 HB2 TRP 28 HB3 TRP 28 15.055 -7.569 -2.873 192 HB3 TRP 28 HB2 TRP 28 13.954 -8.389 -1.803 193 HD1 TRP 28 HD1 TRP 28 11.804 -7.793 -4.656 194 HE1 TRP 28 HE1 TRP 28 11.842 -9.650 -6.356 195 HE3 TRP 28 HE3 TRP 28 15.999 -10.217 -3.038 196 HZ2 TRP 28 HZ2 TRP 28 13.504 -11.960 -6.979 197 HZ3 TRP 28 HZ3 TRP 28 16.794 -12.247 -4.215 198 HH2 TRP 28 HH2 TRP 28 15.559 -13.124 -6.184 199 H CYS 29 H CYS 29 15.119 -5.145 -3.642 200 HA CYS 29 HA CYS 29 13.550 -3.358 -5.227 201 HB2 CYS 29 HB3 CYS 29 16.443 -4.207 -5.514 202 HB3 CYS 29 HB2 CYS 29 15.699 -2.795 -6.260 203 H LYS 30 H LYS 30 12.724 -3.543 -7.239 204 HA LYS 30 HA LYS 30 13.779 -5.529 -9.101 205 HB2 LYS 30 HB3 LYS 30 11.527 -6.324 -9.751 206 HB3 LYS 30 HB2 LYS 30 12.092 -6.885 -8.181 207 HG2 LYS 30 HG3 LYS 30 10.585 -5.462 -7.001 208 HG3 LYS 30 HG2 LYS 30 10.225 -4.500 -8.438 209 HD2 LYS 30 HD3 LYS 30 8.379 -6.069 -7.831 210 HD3 LYS 30 HD2 LYS 30 8.995 -6.267 -9.464 211 HE2 LYS 30 HE3 LYS 30 8.561 -8.442 -8.457 212 HE3 LYS 30 HE2 LYS 30 10.286 -8.245 -8.798 213 HZ1 LYS 30 HZ1 LYS 30 9.008 -7.915 -6.179 214 HZ2 LYS 30 HZ2 LYS 30 10.616 -7.725 -6.492 215 HZ3 LYS 30 HZ3 LYS 30 9.912 -9.207 -6.662 216 H VAL 31 H VAL 31 13.242 -5.179 -11.254 217 HA VAL 31 HA VAL 31 14.012 -2.642 -11.895 218 HB VAL 31 HB VAL 31 12.831 -4.701 -13.784 219 HG11 VAL 31 HG11 VAL 31 13.141 -2.506 -14.856 220 HG12 VAL 31 HG12 VAL 31 14.358 -3.647 -15.441 221 HG13 VAL 31 HG13 VAL 31 14.808 -2.418 -14.239 222 HG21 VAL 31 HG21 VAL 31 15.221 -5.409 -14.091 223 HG22 VAL 31 HG22 VAL 31 15.681 -4.357 -12.733 224 HG23 VAL 31 HG23 VAL 31 14.608 -5.753 -12.477 225 H LEU 32 H LEU 32 13.030 -0.793 -11.816 226 HA LEU 32 HA LEU 32 10.225 -0.321 -12.328 227 HB2 LEU 32 HB3 LEU 32 11.459 1.102 -10.786 228 HB3 LEU 32 HB2 LEU 32 12.644 1.490 -12.021 229 HG LEU 32 HG LEU 32 10.864 2.710 -13.301 230 HD11 LEU 32 HD11 LEU 32 9.133 2.128 -10.852 231 HD12 LEU 32 HD12 LEU 32 8.852 1.518 -12.499 232 HD13 LEU 32 HD13 LEU 32 8.727 3.249 -12.168 233 HD21 LEU 32 HD21 LEU 32 12.361 3.886 -11.735 234 HD22 LEU 32 HD22 LEU 32 10.752 4.628 -11.763 235 HD23 LEU 32 HD23 LEU 32 11.223 3.584 -10.402 236 H LEU 33 H LEU 33 13.211 0.612 -13.942 237 HA LEU 33 HA LEU 33 11.833 1.402 -16.402 238 HB2 LEU 33 HB3 LEU 33 14.762 1.470 -15.574 239 HB3 LEU 33 HB2 LEU 33 14.138 2.102 -17.097 240 HG LEU 33 HG LEU 33 13.374 3.136 -14.325 241 HD11 LEU 33 HD11 LEU 33 15.722 3.624 -14.958 242 HD12 LEU 33 HD12 LEU 33 14.733 5.092 -14.919 243 HD13 LEU 33 HD13 LEU 33 15.160 4.351 -16.477 244 HD21 LEU 33 HD21 LEU 33 11.521 3.521 -15.879 245 HD22 LEU 33 HD22 LEU 33 12.640 4.176 -17.097 246 HD23 LEU 33 HD23 LEU 33 12.362 5.041 -15.571 247 HN1 NH2 34 HN1 AMD 34 11.078 -0.405 -17.470 248 HN2 NH2 34 HN2 AMD 34 12.123 -1.667 -18.083 Start of MODEL 16 1 H1 GLU 1 H1 AMN 0 24.659 4.721 1.383 2 H2 GLU 1 H2 AMN 0 23.011 4.727 1.301 3 H3 GLU 1 H3 AMN 0 23.815 3.327 1.637 4 HA GLU 1 HA GLU 1 23.949 4.841 -0.850 5 HB2 GLU 1 HB3 GLU 1 25.288 3.045 -1.769 6 HB3 GLU 1 HB2 GLU 1 26.047 3.778 -0.370 7 HG2 GLU 1 HG3 GLU 1 26.480 1.517 -0.077 8 HG3 GLU 1 HG2 GLU 1 25.133 1.797 1.016 9 H CYS 2 H CYS 2 22.931 3.929 -2.682 10 HA CYS 2 HA CYS 2 20.314 3.003 -2.089 11 HB2 CYS 2 HB3 CYS 2 19.898 3.189 -4.430 12 HB3 CYS 2 HB2 CYS 2 20.886 4.542 -3.917 13 H LYS 3 H LYS 3 19.283 1.102 -2.515 14 HA LYS 3 HA LYS 3 20.876 -1.324 -2.282 15 HB2 LYS 3 HB3 LYS 3 17.899 -0.704 -2.361 16 HB3 LYS 3 HB2 LYS 3 18.523 -2.345 -2.233 17 HG2 LYS 3 HG3 LYS 3 19.137 -0.121 -0.244 18 HG3 LYS 3 HG2 LYS 3 17.838 -1.304 -0.071 19 HD2 LYS 3 HD3 LYS 3 19.522 -3.146 -0.109 20 HD3 LYS 3 HD2 LYS 3 20.820 -1.938 -0.140 21 HE2 LYS 3 HE3 LYS 3 18.693 -2.190 2.028 22 HE3 LYS 3 HE2 LYS 3 20.344 -2.824 2.141 23 HZ1 LYS 3 HZ1 LYS 3 19.624 0.002 1.828 24 HZ2 LYS 3 HZ2 LYS 3 21.158 -0.595 1.930 25 HZ3 LYS 3 HZ3 LYS 3 20.137 -0.720 3.220 26 H GLY 4 H GLY 4 21.496 -2.637 -3.904 27 HA2 GLY 4 HA2 GLY 4 20.856 -2.109 -6.667 28 HA3 GLY 4 HA3 GLY 4 21.804 -3.452 -6.008 29 H PHE 5 H PHE 5 20.282 -4.165 -8.051 30 HA PHE 5 HA PHE 5 17.612 -4.838 -7.697 31 HB2 PHE 5 HB3 PHE 5 18.812 -4.622 -9.816 32 HB3 PHE 5 HB2 PHE 5 19.914 -5.914 -9.373 33 HD1 PHE 5 HD1 PHE 5 16.165 -5.433 -9.510 34 HD2 PHE 5 HD2 PHE 5 19.564 -7.917 -10.472 35 HE1 PHE 5 HE1 PHE 5 14.656 -7.109 -10.550 36 HE2 PHE 5 HE2 PHE 5 18.047 -9.577 -11.516 37 HZ PHE 5 HZ PHE 5 15.604 -9.163 -11.546 38 H GLY 6 H GLY 6 16.649 -6.381 -6.529 39 HA2 GLY 6 HA2 GLY 6 16.207 -8.412 -5.597 40 HA3 GLY 6 HA3 GLY 6 17.809 -8.997 -6.048 41 H LYS 7 H LYS 7 18.168 -6.045 -4.370 42 HA LYS 7 HA LYS 7 18.949 -7.422 -1.883 43 HB2 LYS 7 HB3 LYS 7 19.217 -4.497 -2.655 44 HB3 LYS 7 HB2 LYS 7 19.954 -5.297 -1.275 45 HG2 LYS 7 HG3 LYS 7 20.605 -5.820 -4.206 46 HG3 LYS 7 HG2 LYS 7 21.581 -4.904 -3.060 47 HD2 LYS 7 HD3 LYS 7 21.898 -6.955 -1.689 48 HD3 LYS 7 HD2 LYS 7 20.963 -7.892 -2.868 49 HE2 LYS 7 HE3 LYS 7 23.512 -6.354 -3.508 50 HE3 LYS 7 HE2 LYS 7 23.439 -8.088 -3.155 51 HZ1 LYS 7 HZ1 LYS 7 22.021 -8.364 -5.046 52 HZ2 LYS 7 HZ2 LYS 7 23.448 -7.667 -5.492 53 HZ3 LYS 7 HZ3 LYS 7 22.081 -6.751 -5.383 54 H SER 8 H SER 8 17.807 -7.337 -0.053 55 HA SER 8 HA SER 8 15.102 -6.536 -0.003 56 HB2 SER 8 HB3 SER 8 16.065 -8.344 1.374 57 HB3 SER 8 HB2 SER 8 16.985 -7.147 2.310 58 HG SER 8 HG SER 8 14.157 -7.273 2.051 59 H CYS 9 H CYS 9 14.230 -4.612 0.222 60 HA CYS 9 HA CYS 9 15.903 -2.271 0.765 61 HB2 CYS 9 HB3 CYS 9 14.141 -1.053 -0.271 62 HB3 CYS 9 HB2 CYS 9 14.343 -2.513 -1.205 63 H VAL 10 H VAL 10 14.671 -0.410 1.800 64 HA VAL 10 HA VAL 10 13.501 -0.988 4.426 65 HB VAL 10 HB VAL 10 14.150 1.514 2.825 66 HG11 VAL 10 HG11 VAL 10 12.082 2.085 3.951 67 HG12 VAL 10 HG12 VAL 10 13.425 2.868 4.777 68 HG13 VAL 10 HG13 VAL 10 12.683 1.413 5.486 69 HG21 VAL 10 HG21 VAL 10 15.130 0.522 5.542 70 HG22 VAL 10 HG22 VAL 10 15.692 1.976 4.683 71 HG23 VAL 10 HG23 VAL 10 16.028 0.370 4.019 72 HA PRO 11 HA PRO 11 9.402 -0.926 2.386 73 HB2 PRO 11 HB3 PRO 11 7.796 -0.887 4.616 74 HB3 PRO 11 HB2 PRO 11 8.626 -2.358 4.028 75 HG2 PRO 11 HG3 PRO 11 9.506 -0.481 6.235 76 HG3 PRO 11 HG2 PRO 11 9.482 -2.272 6.242 77 HD2 PRO 11 HD3 PRO 11 11.742 -0.816 5.721 78 HD3 PRO 11 HD2 PRO 11 11.433 -2.393 4.936 79 H GLY 12 H GLY 12 9.432 0.941 1.374 80 HA2 GLY 12 HA2 GLY 12 8.261 3.375 2.097 81 HA3 GLY 12 HA3 GLY 12 10.017 3.440 2.442 82 H LYS 13 H LYS 13 10.869 1.531 0.572 83 HA LYS 13 HA LYS 13 11.165 0.782 -1.435 84 HB2 LYS 13 HB3 LYS 13 8.785 2.417 -2.427 85 HB3 LYS 13 HB2 LYS 13 9.516 1.030 -3.221 86 HG2 LYS 13 HG3 LYS 13 8.726 -0.476 -1.441 87 HG3 LYS 13 HG2 LYS 13 8.096 0.879 -0.512 88 HD2 LYS 13 HD3 LYS 13 6.443 1.394 -2.185 89 HD3 LYS 13 HD2 LYS 13 7.103 0.178 -3.296 90 HE2 LYS 13 HE3 LYS 13 6.577 -1.614 -1.686 91 HE3 LYS 13 HE2 LYS 13 5.977 -0.414 -0.524 92 HZ1 LYS 13 HZ1 LYS 13 4.841 -0.938 -3.178 93 HZ2 LYS 13 HZ2 LYS 13 4.285 0.174 -2.094 94 HZ3 LYS 13 HZ3 LYS 13 4.207 -1.435 -1.738 95 H ASN 14 H ASN 14 11.895 3.575 -0.371 96 HA ASN 14 HA ASN 14 12.479 5.042 -2.774 97 HB2 ASN 14 HB3 ASN 14 11.530 6.129 -0.771 98 HB3 ASN 14 HB2 ASN 14 12.995 5.765 0.142 99 HD21 ASN 14 HD21 ASN 14 14.547 7.349 0.165 100 HD22 ASN 14 HD22 ASN 14 14.665 8.660 -0.987 101 H GLU 15 H GLU 15 14.187 2.843 -0.661 102 HA GLU 15 HA GLU 15 16.824 3.882 -0.806 103 HB2 GLU 15 HB3 GLU 15 15.662 1.124 -0.286 104 HB3 GLU 15 HB2 GLU 15 17.402 1.395 -0.342 105 HG2 GLU 15 HG3 GLU 15 15.521 2.883 1.524 106 HG3 GLU 15 HG2 GLU 15 16.485 1.462 1.955 107 H CYS 16 H CYS 16 15.123 1.552 -2.947 108 HA CYS 16 HA CYS 16 17.295 0.504 -4.244 109 HB2 CYS 16 HB3 CYS 16 14.544 1.043 -5.393 110 HB3 CYS 16 HB2 CYS 16 15.728 -0.117 -6.005 111 H CYS 17 H CYS 17 18.521 0.922 -6.023 112 HA CYS 17 HA CYS 17 19.207 3.588 -6.585 113 HB2 CYS 17 HB3 CYS 17 19.896 1.076 -8.147 114 HB3 CYS 17 HB2 CYS 17 20.754 2.602 -8.223 115 H SER 18 H SER 18 19.682 4.201 -9.008 116 HA SER 18 HA SER 18 17.248 4.973 -10.228 117 HB2 SER 18 HB3 SER 18 20.101 4.931 -11.292 118 HB3 SER 18 HB2 SER 18 18.734 5.758 -12.066 119 HG SER 18 HG SER 18 18.502 6.980 -10.143 120 H GLY 19 H GLY 19 15.874 3.671 -11.181 121 HA2 GLY 19 HA2 GLY 19 15.164 2.521 -13.128 122 HA3 GLY 19 HA3 GLY 19 16.736 1.727 -13.256 123 H LEU 20 H LEU 20 15.217 2.013 -10.111 124 HA LEU 20 HA LEU 20 14.132 -0.743 -10.135 125 HB2 LEU 20 HB3 LEU 20 16.047 0.410 -8.080 126 HB3 LEU 20 HB2 LEU 20 15.216 -1.133 -7.932 127 HG LEU 20 HG LEU 20 17.226 -0.531 -10.132 128 HD11 LEU 20 HD11 LEU 20 18.856 -1.763 -8.790 129 HD12 LEU 20 HD12 LEU 20 17.665 -1.968 -7.483 130 HD13 LEU 20 HD13 LEU 20 18.266 -0.355 -7.894 131 HD21 LEU 20 HD21 LEU 20 17.317 -2.985 -10.350 132 HD22 LEU 20 HD22 LEU 20 15.673 -2.412 -10.601 133 HD23 LEU 20 HD23 LEU 20 16.106 -3.161 -9.055 134 H THR 21 H THR 21 12.827 -1.147 -8.239 135 HA THR 21 HA THR 21 11.879 0.970 -6.545 136 HB THR 21 HB THR 21 10.598 1.548 -8.560 137 HG1 THR 21 HG1 THR 21 9.039 0.316 -6.548 138 HG21 THR 21 HG21 THR 21 8.879 0.132 -9.519 139 HG22 THR 21 HG22 THR 21 9.263 -1.193 -8.411 140 HG23 THR 21 HG23 THR 21 10.431 -0.704 -9.658 141 H CYS 22 H CYS 22 11.180 0.009 -4.613 142 HA CYS 22 HA CYS 22 11.610 -2.827 -4.500 143 HB2 CYS 22 HB3 CYS 22 12.214 -1.098 -2.714 144 HB3 CYS 22 HB2 CYS 22 10.517 -1.149 -2.261 145 H SER 23 H SER 23 10.207 -4.441 -4.548 146 HA SER 23 HA SER 23 7.473 -4.273 -5.158 147 HB2 SER 23 HB3 SER 23 9.020 -6.192 -5.535 148 HB3 SER 23 HB2 SER 23 9.055 -6.497 -3.798 149 HG SER 23 HG SER 23 7.527 -7.799 -4.904 150 H ASN 24 H ASN 24 5.609 -4.560 -3.916 151 HA ASN 24 HA ASN 24 5.598 -3.795 -1.126 152 HB2 ASN 24 HB3 ASN 24 3.767 -3.253 -2.713 153 HB3 ASN 24 HB2 ASN 24 3.419 -4.967 -2.914 154 HD21 ASN 24 HD21 ASN 24 2.090 -5.983 -1.408 155 HD22 ASN 24 HD22 ASN 24 1.476 -5.210 0.037 156 H LYS 25 H LYS 25 5.135 -6.843 -2.975 157 HA LYS 25 HA LYS 25 4.482 -8.405 -0.615 158 HB2 LYS 25 HB3 LYS 25 4.818 -9.046 -3.570 159 HB3 LYS 25 HB2 LYS 25 4.488 -10.281 -2.347 160 HG2 LYS 25 HG3 LYS 25 2.402 -9.156 -1.698 161 HG3 LYS 25 HG2 LYS 25 2.689 -7.868 -2.880 162 HD2 LYS 25 HD3 LYS 25 2.636 -9.537 -4.719 163 HD3 LYS 25 HD2 LYS 25 2.317 -10.824 -3.534 164 HE2 LYS 25 HE3 LYS 25 0.235 -9.677 -2.846 165 HE3 LYS 25 HE2 LYS 25 0.558 -8.380 -4.014 166 HZ1 LYS 25 HZ1 LYS 25 0.120 -11.205 -4.675 167 HZ2 LYS 25 HZ2 LYS 25 0.419 -9.998 -5.758 168 HZ3 LYS 25 HZ3 LYS 25 -0.972 -9.985 -4.873 169 H HIS 26 H HIS 26 7.033 -8.794 -3.138 170 HA HIS 26 HA HIS 26 8.579 -10.668 -1.701 171 HB2 HIS 26 HB3 HIS 26 9.405 -8.786 -3.945 172 HB3 HIS 26 HB2 HIS 26 10.287 -10.215 -3.417 173 HD1 HIS 26 HD1 HIS 26 6.900 -9.353 -5.093 174 HD2 HIS 26 HD2 HIS 26 9.614 -12.506 -4.508 175 HE1 HIS 26 HE1 HIS 26 6.105 -11.285 -6.560 176 H LYS 27 H LYS 27 8.529 -7.169 -1.581 177 HA LYS 27 HA LYS 27 9.796 -5.580 -0.750 178 HB2 LYS 27 HB3 LYS 27 8.766 -6.780 1.259 179 HB3 LYS 27 HB2 LYS 27 10.357 -7.454 1.558 180 HG2 LYS 27 HG3 LYS 27 10.002 -5.506 2.960 181 HG3 LYS 27 HG2 LYS 27 11.285 -5.156 1.812 182 HD2 LYS 27 HD3 LYS 27 9.826 -3.231 2.102 183 HD3 LYS 27 HD2 LYS 27 9.720 -3.808 0.444 184 HE2 LYS 27 HE3 LYS 27 7.604 -4.984 0.981 185 HE3 LYS 27 HE2 LYS 27 7.696 -4.364 2.643 186 HZ1 LYS 27 HZ1 LYS 27 7.519 -2.737 0.204 187 HZ2 LYS 27 HZ2 LYS 27 7.606 -2.152 1.744 188 HZ3 LYS 27 HZ3 LYS 27 6.290 -3.025 1.265 189 H TRP 28 H TRP 28 11.105 -6.524 -2.724 190 HA TRP 28 HA TRP 28 13.837 -5.890 -1.935 191 HB2 TRP 28 HB3 TRP 28 14.901 -7.548 -3.253 192 HB3 TRP 28 HB2 TRP 28 13.883 -8.330 -2.072 193 HD1 TRP 28 HD1 TRP 28 11.613 -7.534 -4.878 194 HE1 TRP 28 HE1 TRP 28 11.334 -9.470 -6.458 195 HE3 TRP 28 HE3 TRP 28 15.497 -10.406 -3.242 196 HZ2 TRP 28 HZ2 TRP 28 12.630 -12.024 -6.979 197 HZ3 TRP 28 HZ3 TRP 28 15.959 -12.601 -4.306 198 HH2 TRP 28 HH2 TRP 28 14.534 -13.417 -6.170 199 H CYS 29 H CYS 29 15.126 -5.111 -3.776 200 HA CYS 29 HA CYS 29 13.630 -3.271 -5.395 201 HB2 CYS 29 HB3 CYS 29 16.505 -4.175 -5.557 202 HB3 CYS 29 HB2 CYS 29 15.828 -2.765 -6.371 203 H LYS 30 H LYS 30 12.858 -3.447 -7.403 204 HA LYS 30 HA LYS 30 13.851 -5.488 -9.241 205 HB2 LYS 30 HB3 LYS 30 11.569 -6.244 -9.833 206 HB3 LYS 30 HB2 LYS 30 12.138 -6.758 -8.249 207 HG2 LYS 30 HG3 LYS 30 10.716 -5.126 -7.134 208 HG3 LYS 30 HG2 LYS 30 10.267 -4.387 -8.678 209 HD2 LYS 30 HD3 LYS 30 8.482 -5.841 -7.806 210 HD3 LYS 30 HD2 LYS 30 9.085 -6.400 -9.369 211 HE2 LYS 30 HE3 LYS 30 10.425 -8.144 -8.282 212 HE3 LYS 30 HE2 LYS 30 9.945 -7.554 -6.682 213 HZ1 LYS 30 HZ1 LYS 30 8.654 -9.429 -7.359 214 HZ2 LYS 30 HZ2 LYS 30 8.138 -8.648 -8.717 215 HZ3 LYS 30 HZ3 LYS 30 7.689 -8.099 -7.228 216 H VAL 31 H VAL 31 13.411 -5.096 -11.392 217 HA VAL 31 HA VAL 31 14.094 -2.485 -11.935 218 HB VAL 31 HB VAL 31 13.144 -4.379 -14.093 219 HG11 VAL 31 HG11 VAL 31 13.887 -2.022 -14.666 220 HG12 VAL 31 HG12 VAL 31 14.887 -3.288 -15.401 221 HG13 VAL 31 HG13 VAL 31 15.473 -2.407 -13.977 222 HG21 VAL 31 HG21 VAL 31 15.486 -5.290 -14.133 223 HG22 VAL 31 HG22 VAL 31 15.792 -4.492 -12.575 224 HG23 VAL 31 HG23 VAL 31 14.573 -5.783 -12.709 225 H LEU 32 H LEU 32 12.987 -0.720 -11.920 226 HA LEU 32 HA LEU 32 10.186 -0.403 -12.194 227 HB2 LEU 32 HB3 LEU 32 11.550 1.192 -10.984 228 HB3 LEU 32 HB2 LEU 32 12.559 1.481 -12.388 229 HG LEU 32 HG LEU 32 10.615 2.576 -13.528 230 HD11 LEU 32 HD11 LEU 32 8.614 3.180 -12.205 231 HD12 LEU 32 HD12 LEU 32 9.205 2.207 -10.843 232 HD13 LEU 32 HD13 LEU 32 8.743 1.425 -12.371 233 HD21 LEU 32 HD21 LEU 32 12.262 3.897 -12.264 234 HD22 LEU 32 HD22 LEU 32 10.647 4.615 -12.150 235 HD23 LEU 32 HD23 LEU 32 11.306 3.695 -10.779 236 H LEU 33 H LEU 33 12.853 0.222 -14.375 237 HA LEU 33 HA LEU 33 11.210 1.136 -16.581 238 HB2 LEU 33 HB3 LEU 33 14.178 0.477 -16.389 239 HB3 LEU 33 HB2 LEU 33 13.405 1.240 -17.778 240 HG LEU 33 HG LEU 33 13.588 2.451 -14.975 241 HD11 LEU 33 HD11 LEU 33 15.153 4.028 -16.007 242 HD12 LEU 33 HD12 LEU 33 15.013 3.182 -17.564 243 HD13 LEU 33 HD13 LEU 33 15.745 2.366 -16.164 244 HD21 LEU 33 HD21 LEU 33 12.432 3.613 -17.548 245 HD22 LEU 33 HD22 LEU 33 12.754 4.532 -16.060 246 HD23 LEU 33 HD23 LEU 33 11.540 3.252 -16.051 247 HN1 NH2 34 HN1 AMD 34 10.938 0.185 -18.637 248 HN2 NH2 34 HN2 AMD 34 11.078 -1.544 -18.872 Start of MODEL 17 1 H1 GLU 1 H1 AMN 0 26.253 3.994 -0.201 2 H2 GLU 1 H2 AMN 0 24.704 4.182 0.335 3 H3 GLU 1 H3 AMN 0 25.356 2.672 0.211 4 HA GLU 1 HA GLU 1 24.819 4.505 -1.996 5 HB2 GLU 1 HB3 GLU 1 25.444 2.716 -3.500 6 HB3 GLU 1 HB2 GLU 1 26.781 3.117 -2.425 7 HG2 GLU 1 HG3 GLU 1 26.294 1.120 -1.040 8 HG3 GLU 1 HG2 GLU 1 24.908 0.728 -2.066 9 H CYS 2 H CYS 2 23.203 3.769 -3.502 10 HA CYS 2 HA CYS 2 20.731 3.014 -2.342 11 HB2 CYS 2 HB3 CYS 2 19.923 3.064 -4.634 12 HB3 CYS 2 HB2 CYS 2 20.977 4.431 -4.314 13 H LYS 3 H LYS 3 19.467 1.139 -2.644 14 HA LYS 3 HA LYS 3 20.976 -1.349 -2.493 15 HB2 LYS 3 HB3 LYS 3 18.048 -0.593 -2.213 16 HB3 LYS 3 HB2 LYS 3 18.578 -2.273 -2.200 17 HG2 LYS 3 HG3 LYS 3 19.687 -0.179 -0.285 18 HG3 LYS 3 HG2 LYS 3 18.264 -1.167 0.066 19 HD2 LYS 3 HD3 LYS 3 19.596 -3.217 -0.045 20 HD3 LYS 3 HD2 LYS 3 21.029 -2.303 -0.543 21 HE2 LYS 3 HE3 LYS 3 21.238 -2.779 1.798 22 HE3 LYS 3 HE2 LYS 3 20.952 -1.041 1.604 23 HZ1 LYS 3 HZ1 LYS 3 18.938 -3.047 2.342 24 HZ2 LYS 3 HZ2 LYS 3 18.660 -1.432 2.161 25 HZ3 LYS 3 HZ3 LYS 3 19.651 -1.968 3.366 26 H GLY 4 H GLY 4 21.544 -2.494 -4.186 27 HA2 GLY 4 HA2 GLY 4 20.610 -2.019 -6.856 28 HA3 GLY 4 HA3 GLY 4 21.732 -3.272 -6.306 29 H PHE 5 H PHE 5 20.182 -4.118 -8.224 30 HA PHE 5 HA PHE 5 17.575 -4.835 -7.785 31 HB2 PHE 5 HB3 PHE 5 18.767 -4.599 -9.927 32 HB3 PHE 5 HB2 PHE 5 19.798 -5.961 -9.531 33 HD1 PHE 5 HD1 PHE 5 16.085 -5.864 -8.960 34 HD2 PHE 5 HD2 PHE 5 19.332 -7.301 -11.421 35 HE1 PHE 5 HE1 PHE 5 14.547 -7.454 -10.066 36 HE2 PHE 5 HE2 PHE 5 17.772 -8.865 -12.546 37 HZ PHE 5 HZ PHE 5 15.394 -8.943 -11.854 38 H GLY 6 H GLY 6 16.704 -6.236 -6.442 39 HA2 GLY 6 HA2 GLY 6 16.212 -8.221 -5.456 40 HA3 GLY 6 HA3 GLY 6 17.698 -8.939 -6.085 41 H LYS 7 H LYS 7 17.476 -5.946 -4.111 42 HA LYS 7 HA LYS 7 18.539 -7.410 -1.741 43 HB2 LYS 7 HB3 LYS 7 19.244 -4.611 -2.701 44 HB3 LYS 7 HB2 LYS 7 19.615 -5.271 -1.105 45 HG2 LYS 7 HG3 LYS 7 20.861 -7.154 -2.205 46 HG3 LYS 7 HG2 LYS 7 20.660 -6.323 -3.763 47 HD2 LYS 7 HD3 LYS 7 21.838 -4.349 -2.889 48 HD3 LYS 7 HD2 LYS 7 21.984 -5.100 -1.291 49 HE2 LYS 7 HE3 LYS 7 23.201 -6.246 -3.842 50 HE3 LYS 7 HE2 LYS 7 24.077 -5.233 -2.678 51 HZ1 LYS 7 HZ1 LYS 7 22.852 -7.824 -2.081 52 HZ2 LYS 7 HZ2 LYS 7 23.663 -6.869 -1.009 53 HZ3 LYS 7 HZ3 LYS 7 24.463 -7.535 -2.288 54 H SER 8 H SER 8 17.671 -6.995 0.171 55 HA SER 8 HA SER 8 14.936 -6.274 0.272 56 HB2 SER 8 HB3 SER 8 16.012 -7.933 1.750 57 HB3 SER 8 HB2 SER 8 16.939 -6.638 2.538 58 HG SER 8 HG SER 8 14.107 -6.857 2.428 59 H CYS 9 H CYS 9 14.027 -4.356 0.348 60 HA CYS 9 HA CYS 9 15.629 -1.934 0.659 61 HB2 CYS 9 HB3 CYS 9 13.730 -0.829 -0.269 62 HB3 CYS 9 HB2 CYS 9 13.963 -2.307 -1.171 63 H VAL 10 H VAL 10 14.646 -0.089 1.741 64 HA VAL 10 HA VAL 10 13.394 -0.437 4.366 65 HB VAL 10 HB VAL 10 14.039 1.919 2.556 66 HG11 VAL 10 HG11 VAL 10 11.931 2.552 3.587 67 HG12 VAL 10 HG12 VAL 10 13.235 3.420 4.394 68 HG13 VAL 10 HG13 VAL 10 12.498 2.009 5.184 69 HG21 VAL 10 HG21 VAL 10 15.525 2.584 4.385 70 HG22 VAL 10 HG22 VAL 10 15.895 0.919 3.907 71 HG23 VAL 10 HG23 VAL 10 14.956 1.222 5.381 72 HA PRO 11 HA PRO 11 9.433 -0.860 2.155 73 HB2 PRO 11 HB3 PRO 11 7.702 -0.895 4.265 74 HB3 PRO 11 HB2 PRO 11 8.777 -2.257 3.847 75 HG2 PRO 11 HG3 PRO 11 9.240 -0.106 5.933 76 HG3 PRO 11 HG2 PRO 11 9.431 -1.880 6.109 77 HD2 PRO 11 HD3 PRO 11 11.537 -0.215 5.583 78 HD3 PRO 11 HD2 PRO 11 11.457 -1.872 4.912 79 H GLY 12 H GLY 12 9.784 1.104 1.169 80 HA2 GLY 12 HA2 GLY 12 7.826 3.046 1.201 81 HA3 GLY 12 HA3 GLY 12 9.105 3.676 2.252 82 H LYS 13 H LYS 13 10.383 1.618 -0.225 83 HA LYS 13 HA LYS 13 11.708 1.900 -1.932 84 HB2 LYS 13 HB3 LYS 13 9.809 4.113 -2.791 85 HB3 LYS 13 HB2 LYS 13 10.908 3.195 -3.826 86 HG2 LYS 13 HG3 LYS 13 9.647 1.114 -3.332 87 HG3 LYS 13 HG2 LYS 13 8.523 2.037 -2.314 88 HD2 LYS 13 HD3 LYS 13 7.911 3.446 -4.281 89 HD3 LYS 13 HD2 LYS 13 9.017 2.496 -5.281 90 HE2 LYS 13 HE3 LYS 13 6.809 1.644 -5.659 91 HE3 LYS 13 HE2 LYS 13 7.678 0.436 -4.697 92 HZ1 LYS 13 HZ1 LYS 13 5.770 2.419 -3.668 93 HZ2 LYS 13 HZ2 LYS 13 6.573 1.304 -2.757 94 HZ3 LYS 13 HZ3 LYS 13 5.471 0.812 -3.883 95 H ASN 14 H ASN 14 12.418 3.343 0.463 96 HA ASN 14 HA ASN 14 13.389 5.949 -0.227 97 HB2 ASN 14 HB3 ASN 14 12.624 5.240 2.051 98 HB3 ASN 14 HB2 ASN 14 14.054 4.214 2.186 99 HD21 ASN 14 HD21 ASN 14 13.088 7.635 1.536 100 HD22 ASN 14 HD22 ASN 14 14.450 8.351 2.368 101 H GLU 15 H GLU 15 14.675 2.785 -0.744 102 HA GLU 15 HA GLU 15 17.495 3.741 -0.676 103 HB2 GLU 15 HB3 GLU 15 16.286 0.986 -0.263 104 HB3 GLU 15 HB2 GLU 15 18.012 1.333 -0.371 105 HG2 GLU 15 HG3 GLU 15 16.153 2.479 1.741 106 HG3 GLU 15 HG2 GLU 15 17.252 1.113 1.961 107 H CYS 16 H CYS 16 15.211 1.778 -2.685 108 HA CYS 16 HA CYS 16 17.141 0.553 -4.216 109 HB2 CYS 16 HB3 CYS 16 14.334 1.316 -5.064 110 HB3 CYS 16 HB2 CYS 16 15.361 0.102 -5.826 111 H CYS 17 H CYS 17 18.245 0.917 -6.076 112 HA CYS 17 HA CYS 17 19.021 3.538 -6.715 113 HB2 CYS 17 HB3 CYS 17 19.407 1.007 -8.351 114 HB3 CYS 17 HB2 CYS 17 20.330 2.484 -8.510 115 H SER 18 H SER 18 19.267 4.253 -9.075 116 HA SER 18 HA SER 18 16.725 4.929 -10.209 117 HB2 SER 18 HB3 SER 18 19.568 5.183 -11.276 118 HB3 SER 18 HB2 SER 18 18.128 5.903 -12.023 119 HG SER 18 HG SER 18 19.072 6.405 -9.395 120 H GLY 19 H GLY 19 15.491 3.437 -11.091 121 HA2 GLY 19 HA2 GLY 19 14.904 2.222 -13.085 122 HA3 GLY 19 HA3 GLY 19 16.538 1.552 -13.151 123 H LEU 20 H LEU 20 14.952 1.868 -10.046 124 HA LEU 20 HA LEU 20 13.967 -0.907 -9.981 125 HB2 LEU 20 HB3 LEU 20 15.865 0.338 -7.960 126 HB3 LEU 20 HB2 LEU 20 15.017 -1.185 -7.724 127 HG LEU 20 HG LEU 20 17.014 -0.719 -9.969 128 HD11 LEU 20 HD11 LEU 20 18.028 -0.491 -7.692 129 HD12 LEU 20 HD12 LEU 20 18.658 -1.854 -8.629 130 HD13 LEU 20 HD13 LEU 20 17.485 -2.129 -7.318 131 HD21 LEU 20 HD21 LEU 20 15.398 -2.590 -10.331 132 HD22 LEU 20 HD22 LEU 20 15.885 -3.304 -8.787 133 HD23 LEU 20 HD23 LEU 20 17.046 -3.165 -10.129 134 H THR 21 H THR 21 12.658 -1.281 -8.065 135 HA THR 21 HA THR 21 11.491 0.883 -6.574 136 HB THR 21 HB THR 21 10.333 1.291 -8.687 137 HG1 THR 21 HG1 THR 21 9.202 1.466 -6.727 138 HG21 THR 21 HG21 THR 21 8.804 -0.267 -9.746 139 HG22 THR 21 HG22 THR 21 9.197 -1.542 -8.584 140 HG23 THR 21 HG23 THR 21 10.419 -0.980 -9.746 141 H CYS 22 H CYS 22 10.835 0.003 -4.641 142 HA CYS 22 HA CYS 22 11.338 -2.789 -4.325 143 HB2 CYS 22 HB3 CYS 22 11.841 -1.002 -2.626 144 HB3 CYS 22 HB2 CYS 22 10.118 -1.022 -2.204 145 H SER 23 H SER 23 10.055 -4.426 -4.556 146 HA SER 23 HA SER 23 7.321 -4.448 -5.182 147 HB2 SER 23 HB3 SER 23 9.076 -6.197 -5.626 148 HB3 SER 23 HB2 SER 23 9.052 -6.620 -3.915 149 HG SER 23 HG SER 23 7.695 -7.958 -5.186 150 H ASN 24 H ASN 24 5.494 -5.025 -3.966 151 HA ASN 24 HA ASN 24 5.492 -4.651 -1.065 152 HB2 ASN 24 HB3 ASN 24 3.590 -3.892 -2.379 153 HB3 ASN 24 HB2 ASN 24 3.351 -5.496 -3.068 154 HD21 ASN 24 HD21 ASN 24 1.998 -6.906 -1.991 155 HD22 ASN 24 HD22 ASN 24 1.382 -6.654 -0.373 156 H LYS 25 H LYS 25 4.964 -7.347 -3.407 157 HA LYS 25 HA LYS 25 4.423 -9.317 -1.465 158 HB2 LYS 25 HB3 LYS 25 3.668 -9.283 -3.837 159 HB3 LYS 25 HB2 LYS 25 5.316 -9.646 -4.358 160 HG2 LYS 25 HG3 LYS 25 5.216 -11.813 -3.106 161 HG3 LYS 25 HG2 LYS 25 3.608 -11.385 -2.512 162 HD2 LYS 25 HD3 LYS 25 3.387 -12.949 -4.343 163 HD3 LYS 25 HD2 LYS 25 2.752 -11.376 -4.853 164 HE2 LYS 25 HE3 LYS 25 4.886 -10.911 -6.041 165 HE3 LYS 25 HE2 LYS 25 5.518 -12.481 -5.510 166 HZ1 LYS 25 HZ1 LYS 25 4.661 -12.570 -7.725 167 HZ2 LYS 25 HZ2 LYS 25 3.172 -12.067 -7.224 168 HZ3 LYS 25 HZ3 LYS 25 3.757 -13.528 -6.732 169 H HIS 26 H HIS 26 7.340 -9.038 -3.603 170 HA HIS 26 HA HIS 26 8.832 -11.033 -2.180 171 HB2 HIS 26 HB3 HIS 26 9.646 -8.925 -4.216 172 HB3 HIS 26 HB2 HIS 26 10.709 -10.188 -3.598 173 HD1 HIS 26 HD1 HIS 26 7.309 -10.075 -5.498 174 HD2 HIS 26 HD2 HIS 26 10.798 -12.359 -4.986 175 HE1 HIS 26 HE1 HIS 26 7.178 -12.001 -7.168 176 H LYS 27 H LYS 27 8.437 -7.572 -1.770 177 HA LYS 27 HA LYS 27 9.449 -5.974 -0.649 178 HB2 LYS 27 HB3 LYS 27 8.422 -7.349 1.150 179 HB3 LYS 27 HB2 LYS 27 9.979 -8.111 1.435 180 HG2 LYS 27 HG3 LYS 27 9.420 -6.310 3.054 181 HG3 LYS 27 HG2 LYS 27 10.939 -6.032 2.223 182 HD2 LYS 27 HD3 LYS 27 9.662 -3.960 2.476 183 HD3 LYS 27 HD2 LYS 27 9.899 -4.352 0.775 184 HE2 LYS 27 HE3 LYS 27 7.596 -5.287 0.670 185 HE3 LYS 27 HE2 LYS 27 7.359 -4.858 2.377 186 HZ1 LYS 27 HZ1 LYS 27 7.709 -2.573 1.776 187 HZ2 LYS 27 HZ2 LYS 27 6.461 -3.213 0.907 188 HZ3 LYS 27 HZ3 LYS 27 7.929 -2.979 0.193 189 H TRP 28 H TRP 28 10.943 -6.533 -2.642 190 HA TRP 28 HA TRP 28 13.545 -5.719 -1.668 191 HB2 TRP 28 HB3 TRP 28 14.876 -7.263 -2.848 192 HB3 TRP 28 HB2 TRP 28 13.802 -8.169 -1.823 193 HD1 TRP 28 HD1 TRP 28 11.785 -7.525 -4.835 194 HE1 TRP 28 HE1 TRP 28 11.926 -9.405 -6.503 195 HE3 TRP 28 HE3 TRP 28 15.818 -9.981 -2.880 196 HZ2 TRP 28 HZ2 TRP 28 13.591 -11.745 -6.971 197 HZ3 TRP 28 HZ3 TRP 28 16.665 -12.040 -3.968 198 HH2 TRP 28 HH2 TRP 28 15.562 -12.929 -6.009 199 H CYS 29 H CYS 29 14.927 -4.894 -3.480 200 HA CYS 29 HA CYS 29 13.451 -3.142 -5.205 201 HB2 CYS 29 HB3 CYS 29 16.371 -3.952 -5.236 202 HB3 CYS 29 HB2 CYS 29 15.668 -2.573 -6.077 203 H LYS 30 H LYS 30 12.730 -3.446 -7.235 204 HA LYS 30 HA LYS 30 13.906 -5.477 -8.982 205 HB2 LYS 30 HB3 LYS 30 11.725 -6.403 -9.627 206 HB3 LYS 30 HB2 LYS 30 12.197 -6.793 -7.977 207 HG2 LYS 30 HG3 LYS 30 10.614 -5.229 -7.055 208 HG3 LYS 30 HG2 LYS 30 10.292 -4.506 -8.636 209 HD2 LYS 30 HD3 LYS 30 8.466 -5.999 -7.910 210 HD3 LYS 30 HD2 LYS 30 9.205 -6.508 -9.431 211 HE2 LYS 30 HE3 LYS 30 10.498 -8.248 -8.263 212 HE3 LYS 30 HE2 LYS 30 9.832 -7.724 -6.706 213 HZ1 LYS 30 HZ1 LYS 30 8.284 -8.780 -8.965 214 HZ2 LYS 30 HZ2 LYS 30 7.663 -8.298 -7.514 215 HZ3 LYS 30 HZ3 LYS 30 8.670 -9.602 -7.588 216 H VAL 31 H VAL 31 13.359 -5.228 -11.188 217 HA VAL 31 HA VAL 31 14.058 -2.696 -11.925 218 HB VAL 31 HB VAL 31 12.895 -4.835 -13.733 219 HG11 VAL 31 HG11 VAL 31 13.112 -2.663 -14.887 220 HG12 VAL 31 HG12 VAL 31 14.355 -3.780 -15.456 221 HG13 VAL 31 HG13 VAL 31 14.783 -2.502 -14.299 222 HG21 VAL 31 HG21 VAL 31 14.738 -5.778 -12.423 223 HG22 VAL 31 HG22 VAL 31 15.294 -5.484 -14.068 224 HG23 VAL 31 HG23 VAL 31 15.758 -4.363 -12.768 225 H LEU 32 H LEU 32 13.011 -0.884 -11.774 226 HA LEU 32 HA LEU 32 10.245 -0.459 -12.569 227 HB2 LEU 32 HB3 LEU 32 11.281 0.980 -10.875 228 HB3 LEU 32 HB2 LEU 32 12.565 1.419 -11.988 229 HG LEU 32 HG LEU 32 10.875 2.571 -13.436 230 HD11 LEU 32 HD11 LEU 32 8.836 1.312 -12.840 231 HD12 LEU 32 HD12 LEU 32 8.618 3.033 -12.504 232 HD13 LEU 32 HD13 LEU 32 8.939 1.907 -11.167 233 HD21 LEU 32 HD21 LEU 32 10.541 4.480 -11.915 234 HD22 LEU 32 HD22 LEU 32 10.916 3.450 -10.516 235 HD23 LEU 32 HD23 LEU 32 12.165 3.799 -11.731 236 H LEU 33 H LEU 33 13.403 0.538 -13.753 237 HA LEU 33 HA LEU 33 12.498 0.494 -16.576 238 HB2 LEU 33 HB3 LEU 33 12.817 2.750 -15.160 239 HB3 LEU 33 HB2 LEU 33 14.510 2.518 -15.576 240 HG LEU 33 HG LEU 33 12.164 2.621 -17.504 241 HD11 LEU 33 HD11 LEU 33 13.002 4.870 -18.122 242 HD12 LEU 33 HD12 LEU 33 14.284 4.733 -16.898 243 HD13 LEU 33 HD13 LEU 33 12.577 4.793 -16.405 244 HD21 LEU 33 HD21 LEU 33 13.913 2.936 -19.294 245 HD22 LEU 33 HD22 LEU 33 13.952 1.337 -18.554 246 HD23 LEU 33 HD23 LEU 33 15.162 2.556 -18.087 247 HN1 NH2 34 HN1 AMD 34 13.605 -1.075 -17.633 248 HN2 NH2 34 HN2 AMD 34 15.271 -1.519 -17.340 Start of MODEL 18 1 H1 GLU 1 H1 AMN 0 23.972 4.122 1.128 2 H2 GLU 1 H2 AMN 0 25.288 4.864 0.466 3 H3 GLU 1 H3 AMN 0 23.787 5.129 -0.164 4 HA GLU 1 HA GLU 1 25.020 3.676 -1.569 5 HB2 GLU 1 HB3 GLU 1 25.158 1.932 0.922 6 HB3 GLU 1 HB2 GLU 1 25.544 1.383 -0.716 7 HG2 GLU 1 HG3 GLU 1 27.323 3.104 -0.885 8 HG3 GLU 1 HG2 GLU 1 26.967 3.640 0.763 9 H CYS 2 H CYS 2 23.262 3.584 -2.818 10 HA CYS 2 HA CYS 2 20.697 2.769 -1.975 11 HB2 CYS 2 HB3 CYS 2 20.061 2.990 -4.273 12 HB3 CYS 2 HB2 CYS 2 21.165 4.284 -3.850 13 H LYS 3 H LYS 3 19.452 0.964 -2.500 14 HA LYS 3 HA LYS 3 20.885 -1.580 -2.366 15 HB2 LYS 3 HB3 LYS 3 17.936 -0.830 -2.261 16 HB3 LYS 3 HB2 LYS 3 18.553 -2.467 -2.045 17 HG2 LYS 3 HG3 LYS 3 19.199 -0.072 -0.274 18 HG3 LYS 3 HG2 LYS 3 17.997 -1.310 0.075 19 HD2 LYS 3 HD3 LYS 3 19.760 -3.030 0.232 20 HD3 LYS 3 HD2 LYS 3 20.989 -1.840 -0.220 21 HE2 LYS 3 HE3 LYS 3 21.044 -2.145 2.171 22 HE3 LYS 3 HE2 LYS 3 20.492 -0.507 1.786 23 HZ1 LYS 3 HZ1 LYS 3 18.256 -1.238 2.189 24 HZ2 LYS 3 HZ2 LYS 3 19.199 -1.500 3.517 25 HZ3 LYS 3 HZ3 LYS 3 18.773 -2.763 2.544 26 H GLY 4 H GLY 4 21.544 -2.549 -4.156 27 HA2 GLY 4 HA2 GLY 4 20.620 -1.963 -6.798 28 HA3 GLY 4 HA3 GLY 4 21.716 -3.261 -6.301 29 H PHE 5 H PHE 5 20.129 -3.960 -8.282 30 HA PHE 5 HA PHE 5 17.526 -4.758 -7.851 31 HB2 PHE 5 HB3 PHE 5 18.563 -4.426 -10.012 32 HB3 PHE 5 HB2 PHE 5 19.774 -5.662 -9.689 33 HD1 PHE 5 HD1 PHE 5 16.020 -5.451 -9.473 34 HD2 PHE 5 HD2 PHE 5 19.464 -7.609 -10.921 35 HE1 PHE 5 HE1 PHE 5 14.531 -7.227 -10.382 36 HE2 PHE 5 HE2 PHE 5 17.972 -9.360 -11.848 37 HZ PHE 5 HZ PHE 5 15.518 -9.164 -11.563 38 H GLY 6 H GLY 6 16.684 -6.281 -6.614 39 HA2 GLY 6 HA2 GLY 6 16.284 -8.305 -5.682 40 HA3 GLY 6 HA3 GLY 6 17.794 -8.940 -6.344 41 H LYS 7 H LYS 7 17.505 -6.018 -4.278 42 HA LYS 7 HA LYS 7 18.652 -7.507 -1.967 43 HB2 LYS 7 HB3 LYS 7 19.345 -4.690 -2.880 44 HB3 LYS 7 HB2 LYS 7 19.856 -5.448 -1.374 45 HG2 LYS 7 HG3 LYS 7 20.985 -7.265 -2.693 46 HG3 LYS 7 HG2 LYS 7 20.586 -6.384 -4.184 47 HD2 LYS 7 HD3 LYS 7 21.851 -4.422 -3.361 48 HD3 LYS 7 HD2 LYS 7 22.252 -5.301 -1.869 49 HE2 LYS 7 HE3 LYS 7 23.465 -7.000 -3.146 50 HE3 LYS 7 HE2 LYS 7 22.996 -6.240 -4.677 51 HZ1 LYS 7 HZ1 LYS 7 25.202 -5.634 -4.027 52 HZ2 LYS 7 HZ2 LYS 7 24.665 -5.013 -2.597 53 HZ3 LYS 7 HZ3 LYS 7 24.227 -4.303 -4.019 54 H SER 8 H SER 8 17.931 -7.002 0.009 55 HA SER 8 HA SER 8 15.207 -6.302 0.265 56 HB2 SER 8 HB3 SER 8 16.434 -7.862 1.746 57 HB3 SER 8 HB2 SER 8 17.368 -6.501 2.405 58 HG SER 8 HG SER 8 14.544 -6.810 2.496 59 H CYS 9 H CYS 9 14.179 -4.463 0.744 60 HA CYS 9 HA CYS 9 15.765 -1.956 0.706 61 HB2 CYS 9 HB3 CYS 9 13.906 -1.012 -0.447 62 HB3 CYS 9 HB2 CYS 9 14.240 -2.565 -1.188 63 H VAL 10 H VAL 10 14.531 -0.081 1.493 64 HA VAL 10 HA VAL 10 13.344 -0.255 4.161 65 HB VAL 10 HB VAL 10 13.761 2.009 2.153 66 HG11 VAL 10 HG11 VAL 10 11.739 2.533 3.429 67 HG12 VAL 10 HG12 VAL 10 13.069 3.547 3.992 68 HG13 VAL 10 HG13 VAL 10 12.564 2.145 4.955 69 HG21 VAL 10 HG21 VAL 10 15.393 2.843 3.790 70 HG22 VAL 10 HG22 VAL 10 15.825 1.203 3.284 71 HG23 VAL 10 HG23 VAL 10 15.054 1.463 4.863 72 HA PRO 11 HA PRO 11 9.336 -0.935 2.103 73 HB2 PRO 11 HB3 PRO 11 7.652 -0.822 4.242 74 HB3 PRO 11 HB2 PRO 11 8.771 -2.180 3.946 75 HG2 PRO 11 HG3 PRO 11 9.201 0.196 5.780 76 HG3 PRO 11 HG2 PRO 11 9.438 -1.543 6.147 77 HD2 PRO 11 HD3 PRO 11 11.497 0.092 5.402 78 HD3 PRO 11 HD2 PRO 11 11.438 -1.626 4.908 79 H GLY 12 H GLY 12 9.730 1.000 0.975 80 HA2 GLY 12 HA2 GLY 12 7.580 2.664 0.694 81 HA3 GLY 12 HA3 GLY 12 8.655 3.570 1.767 82 H LYS 13 H LYS 13 10.164 1.408 -0.563 83 HA LYS 13 HA LYS 13 11.633 1.694 -2.156 84 HB2 LYS 13 HB3 LYS 13 9.661 3.687 -3.334 85 HB3 LYS 13 HB2 LYS 13 10.868 2.724 -4.179 86 HG2 LYS 13 HG3 LYS 13 9.158 1.356 -4.612 87 HG3 LYS 13 HG2 LYS 13 9.492 0.696 -3.022 88 HD2 LYS 13 HD3 LYS 13 7.701 2.183 -2.069 89 HD3 LYS 13 HD2 LYS 13 7.399 2.819 -3.699 90 HE2 LYS 13 HE3 LYS 13 6.843 0.527 -4.472 91 HE3 LYS 13 HE2 LYS 13 7.131 -0.089 -2.833 92 HZ1 LYS 13 HZ1 LYS 13 5.363 1.315 -2.061 93 HZ2 LYS 13 HZ2 LYS 13 4.819 0.297 -3.240 94 HZ3 LYS 13 HZ3 LYS 13 5.094 1.887 -3.584 95 H ASN 14 H ASN 14 12.180 3.311 0.120 96 HA ASN 14 HA ASN 14 12.979 5.956 -0.767 97 HB2 ASN 14 HB3 ASN 14 13.459 4.540 1.882 98 HB3 ASN 14 HB2 ASN 14 13.720 6.249 1.558 99 HD21 ASN 14 HD21 ASN 14 11.747 7.513 0.724 100 HD22 ASN 14 HD22 ASN 14 10.204 7.111 1.443 101 H GLU 15 H GLU 15 14.496 2.887 -0.906 102 HA GLU 15 HA GLU 15 17.222 4.058 -0.746 103 HB2 GLU 15 HB3 GLU 15 15.911 1.984 0.800 104 HB3 GLU 15 HB2 GLU 15 17.293 1.298 -0.035 105 HG2 GLU 15 HG3 GLU 15 17.410 3.851 1.628 106 HG3 GLU 15 HG2 GLU 15 17.733 2.241 2.271 107 H CYS 16 H CYS 16 15.138 1.907 -2.684 108 HA CYS 16 HA CYS 16 17.176 0.487 -3.990 109 HB2 CYS 16 HB3 CYS 16 14.449 1.330 -5.009 110 HB3 CYS 16 HB2 CYS 16 15.502 0.139 -5.771 111 H CYS 17 H CYS 17 18.398 0.797 -5.790 112 HA CYS 17 HA CYS 17 19.287 3.391 -6.454 113 HB2 CYS 17 HB3 CYS 17 19.667 0.767 -7.937 114 HB3 CYS 17 HB2 CYS 17 20.614 2.221 -8.185 115 H SER 18 H SER 18 19.613 4.049 -8.807 116 HA SER 18 HA SER 18 17.172 4.905 -9.916 117 HB2 SER 18 HB3 SER 18 19.324 6.087 -10.108 118 HB3 SER 18 HB2 SER 18 19.956 4.788 -11.142 119 HG SER 18 HG SER 18 19.138 6.554 -12.343 120 H GLY 19 H GLY 19 15.730 3.782 -10.985 121 HA2 GLY 19 HA2 GLY 19 14.990 2.785 -13.006 122 HA3 GLY 19 HA3 GLY 19 16.490 1.861 -13.120 123 H LEU 20 H LEU 20 15.150 2.009 -9.943 124 HA LEU 20 HA LEU 20 13.902 -0.688 -10.159 125 HB2 LEU 20 HB3 LEU 20 15.631 0.366 -7.907 126 HB3 LEU 20 HB2 LEU 20 14.929 -1.241 -8.013 127 HG LEU 20 HG LEU 20 17.084 -0.139 -9.863 128 HD11 LEU 20 HD11 LEU 20 17.342 -2.175 -7.621 129 HD12 LEU 20 HD12 LEU 20 17.810 -0.470 -7.499 130 HD13 LEU 20 HD13 LEU 20 18.642 -1.529 -8.649 131 HD21 LEU 20 HD21 LEU 20 17.375 -2.508 -10.562 132 HD22 LEU 20 HD22 LEU 20 15.791 -1.881 -10.996 133 HD23 LEU 20 HD23 LEU 20 15.952 -2.964 -9.595 134 H THR 21 H THR 21 12.598 -1.189 -8.251 135 HA THR 21 HA THR 21 11.494 0.891 -6.598 136 HB THR 21 HB THR 21 10.232 1.294 -8.699 137 HG1 THR 21 HG1 THR 21 8.200 1.180 -7.707 138 HG21 THR 21 HG21 THR 21 8.966 -1.461 -8.351 139 HG22 THR 21 HG22 THR 21 10.153 -1.059 -9.612 140 HG23 THR 21 HG23 THR 21 8.585 -0.241 -9.572 141 H CYS 22 H CYS 22 10.921 -0.061 -4.671 142 HA CYS 22 HA CYS 22 11.426 -2.877 -4.457 143 HB2 CYS 22 HB3 CYS 22 11.963 -1.092 -2.711 144 HB3 CYS 22 HB2 CYS 22 10.264 -1.213 -2.227 145 H SER 23 H SER 23 10.104 -4.532 -4.515 146 HA SER 23 HA SER 23 7.339 -4.489 -5.068 147 HB2 SER 23 HB3 SER 23 8.992 -6.315 -5.518 148 HB3 SER 23 HB2 SER 23 9.061 -6.658 -3.788 149 HG SER 23 HG SER 23 7.586 -8.006 -4.909 150 H ASN 24 H ASN 24 5.536 -4.938 -3.753 151 HA ASN 24 HA ASN 24 5.665 -4.334 -0.901 152 HB2 ASN 24 HB3 ASN 24 3.743 -3.627 -2.227 153 HB3 ASN 24 HB2 ASN 24 3.407 -5.288 -2.715 154 HD21 ASN 24 HD21 ASN 24 2.055 -6.503 -1.415 155 HD22 ASN 24 HD22 ASN 24 1.537 -6.039 0.190 156 H LYS 25 H LYS 25 4.968 -7.211 -2.963 157 HA LYS 25 HA LYS 25 4.521 -9.017 -0.826 158 HB2 LYS 25 HB3 LYS 25 3.604 -9.215 -3.115 159 HB3 LYS 25 HB2 LYS 25 5.222 -9.533 -3.748 160 HG2 LYS 25 HG3 LYS 25 5.336 -11.598 -2.307 161 HG3 LYS 25 HG2 LYS 25 3.695 -11.254 -1.735 162 HD2 LYS 25 HD3 LYS 25 2.834 -11.432 -4.042 163 HD3 LYS 25 HD2 LYS 25 4.467 -11.731 -4.656 164 HE2 LYS 25 HE3 LYS 25 3.025 -13.500 -2.636 165 HE3 LYS 25 HE2 LYS 25 3.071 -13.798 -4.383 166 HZ1 LYS 25 HZ1 LYS 25 5.410 -13.685 -2.618 167 HZ2 LYS 25 HZ2 LYS 25 5.442 -13.958 -4.244 168 HZ3 LYS 25 HZ3 LYS 25 4.728 -15.053 -3.238 169 H HIS 26 H HIS 26 7.291 -8.880 -3.157 170 HA HIS 26 HA HIS 26 8.816 -10.844 -1.724 171 HB2 HIS 26 HB3 HIS 26 9.584 -8.950 -3.978 172 HB3 HIS 26 HB2 HIS 26 10.534 -10.327 -3.423 173 HD1 HIS 26 HD1 HIS 26 7.202 -9.611 -5.237 174 HD2 HIS 26 HD2 HIS 26 9.826 -12.748 -4.277 175 HE1 HIS 26 HE1 HIS 26 6.410 -11.653 -6.545 176 H LYS 27 H LYS 27 8.575 -7.372 -1.526 177 HA LYS 27 HA LYS 27 9.756 -5.731 -0.663 178 HB2 LYS 27 HB3 LYS 27 8.787 -7.001 1.316 179 HB3 LYS 27 HB2 LYS 27 10.400 -7.631 1.602 180 HG2 LYS 27 HG3 LYS 27 9.954 -5.723 3.048 181 HG3 LYS 27 HG2 LYS 27 11.254 -5.324 1.937 182 HD2 LYS 27 HD3 LYS 27 9.755 -3.432 2.230 183 HD3 LYS 27 HD2 LYS 27 9.695 -3.981 0.560 184 HE2 LYS 27 HE3 LYS 27 7.589 -5.201 1.024 185 HE3 LYS 27 HE2 LYS 27 7.639 -4.630 2.705 186 HZ1 LYS 27 HZ1 LYS 27 6.232 -3.278 1.342 187 HZ2 LYS 27 HZ2 LYS 27 7.476 -2.933 0.315 188 HZ3 LYS 27 HZ3 LYS 27 7.521 -2.396 1.873 189 H TRP 28 H TRP 28 11.114 -6.583 -2.662 190 HA TRP 28 HA TRP 28 13.796 -5.803 -1.856 191 HB2 TRP 28 HB3 TRP 28 14.992 -7.428 -3.034 192 HB3 TRP 28 HB2 TRP 28 13.912 -8.270 -1.960 193 HD1 TRP 28 HD1 TRP 28 11.724 -7.654 -4.787 194 HE1 TRP 28 HE1 TRP 28 11.741 -9.513 -6.486 195 HE3 TRP 28 HE3 TRP 28 15.951 -10.062 -3.232 196 HZ2 TRP 28 HZ2 TRP 28 13.406 -11.811 -7.140 197 HZ3 TRP 28 HZ3 TRP 28 16.738 -12.087 -4.425 198 HH2 TRP 28 HH2 TRP 28 15.478 -12.967 -6.376 199 H CYS 29 H CYS 29 15.058 -4.952 -3.666 200 HA CYS 29 HA CYS 29 13.491 -3.185 -5.291 201 HB2 CYS 29 HB3 CYS 29 16.429 -3.895 -5.426 202 HB3 CYS 29 HB2 CYS 29 15.661 -2.488 -6.166 203 H LYS 30 H LYS 30 12.755 -3.411 -7.330 204 HA LYS 30 HA LYS 30 13.894 -5.430 -9.121 205 HB2 LYS 30 HB3 LYS 30 11.679 -6.312 -9.736 206 HB3 LYS 30 HB2 LYS 30 12.233 -6.752 -8.125 207 HG2 LYS 30 HG3 LYS 30 10.699 -5.177 -7.089 208 HG3 LYS 30 HG2 LYS 30 10.258 -4.490 -8.660 209 HD2 LYS 30 HD3 LYS 30 8.522 -6.014 -7.805 210 HD3 LYS 30 HD2 LYS 30 9.193 -6.566 -9.343 211 HE2 LYS 30 HE3 LYS 30 10.588 -8.226 -8.193 212 HE3 LYS 30 HE2 LYS 30 10.036 -7.637 -6.616 213 HZ1 LYS 30 HZ1 LYS 30 8.340 -8.844 -8.683 214 HZ2 LYS 30 HZ2 LYS 30 7.824 -8.298 -7.215 215 HZ3 LYS 30 HZ3 LYS 30 8.855 -9.582 -7.301 216 H VAL 31 H VAL 31 13.540 -5.101 -11.272 217 HA VAL 31 HA VAL 31 13.988 -2.456 -11.947 218 HB VAL 31 HB VAL 31 13.330 -4.786 -13.786 219 HG11 VAL 31 HG11 VAL 31 13.217 -2.647 -15.002 220 HG12 VAL 31 HG12 VAL 31 14.680 -3.525 -15.459 221 HG13 VAL 31 HG13 VAL 31 14.790 -2.162 -14.324 222 HG21 VAL 31 HG21 VAL 31 15.240 -5.321 -12.332 223 HG22 VAL 31 HG22 VAL 31 15.805 -5.018 -13.973 224 HG23 VAL 31 HG23 VAL 31 16.011 -3.770 -12.726 225 H LEU 32 H LEU 32 12.660 -0.824 -11.946 226 HA LEU 32 HA LEU 32 9.887 -0.911 -12.783 227 HB2 LEU 32 HB3 LEU 32 10.651 0.714 -11.108 228 HB3 LEU 32 HB2 LEU 32 11.819 1.374 -12.238 229 HG LEU 32 HG LEU 32 9.927 2.149 -13.694 230 HD11 LEU 32 HD11 LEU 32 8.176 0.525 -13.089 231 HD12 LEU 32 HD12 LEU 32 7.624 2.177 -12.799 232 HD13 LEU 32 HD13 LEU 32 8.136 1.168 -11.431 233 HD21 LEU 32 HD21 LEU 32 9.211 3.981 -12.217 234 HD22 LEU 32 HD22 LEU 32 9.771 3.073 -10.794 235 HD23 LEU 32 HD23 LEU 32 10.937 3.642 -12.010 236 H LEU 33 H LEU 33 12.848 0.534 -14.017 237 HA LEU 33 HA LEU 33 11.725 0.734 -16.768 238 HB2 LEU 33 HB3 LEU 33 14.040 2.222 -15.473 239 HB3 LEU 33 HB2 LEU 33 13.435 2.465 -17.112 240 HG LEU 33 HG LEU 33 11.931 3.051 -14.524 241 HD11 LEU 33 HD11 LEU 33 13.084 4.914 -16.638 242 HD12 LEU 33 HD12 LEU 33 13.755 4.627 -15.017 243 HD13 LEU 33 HD13 LEU 33 12.171 5.401 -15.193 244 HD21 LEU 33 HD21 LEU 33 10.220 4.129 -15.986 245 HD22 LEU 33 HD22 LEU 33 10.296 2.385 -16.241 246 HD23 LEU 33 HD23 LEU 33 11.051 3.484 -17.418 247 HN1 NH2 34 HN1 AMD 34 12.237 -1.072 -17.897 248 HN2 NH2 34 HN2 AMD 34 13.843 -1.759 -18.003 Start of MODEL 19 1 H1 GLU 1 H1 AMN 0 26.048 3.962 -1.071 2 H2 GLU 1 H2 AMN 0 25.352 2.485 -1.309 3 H3 GLU 1 H3 AMN 0 25.037 3.722 -2.353 4 HA GLU 1 HA GLU 1 24.290 3.612 0.464 5 HB2 GLU 1 HB3 GLU 1 24.803 5.890 -0.262 6 HB3 GLU 1 HB2 GLU 1 23.695 5.736 -1.626 7 HG2 GLU 1 HG3 GLU 1 22.689 7.000 0.238 8 HG3 GLU 1 HG2 GLU 1 21.778 5.532 -0.102 9 H CYS 2 H CYS 2 22.914 3.962 -2.787 10 HA CYS 2 HA CYS 2 20.347 2.987 -2.108 11 HB2 CYS 2 HB3 CYS 2 19.880 3.092 -4.461 12 HB3 CYS 2 HB2 CYS 2 20.838 4.481 -3.989 13 H LYS 3 H LYS 3 19.297 1.059 -2.508 14 HA LYS 3 HA LYS 3 20.939 -1.349 -2.321 15 HB2 LYS 3 HB3 LYS 3 17.967 -0.753 -2.215 16 HB3 LYS 3 HB2 LYS 3 18.572 -2.407 -2.267 17 HG2 LYS 3 HG3 LYS 3 19.439 -0.400 -0.146 18 HG3 LYS 3 HG2 LYS 3 18.053 -1.482 0.033 19 HD2 LYS 3 HD3 LYS 3 19.526 -3.449 -0.223 20 HD3 LYS 3 HD2 LYS 3 20.939 -2.383 -0.388 21 HE2 LYS 3 HE3 LYS 3 20.517 -1.448 1.851 22 HE3 LYS 3 HE2 LYS 3 19.081 -2.475 2.022 23 HZ1 LYS 3 HZ1 LYS 3 20.500 -4.384 1.857 24 HZ2 LYS 3 HZ2 LYS 3 20.973 -3.418 3.107 25 HZ3 LYS 3 HZ3 LYS 3 21.837 -3.430 1.702 26 H GLY 4 H GLY 4 21.583 -2.547 -3.966 27 HA2 GLY 4 HA2 GLY 4 20.894 -2.005 -6.701 28 HA3 GLY 4 HA3 GLY 4 21.910 -3.314 -6.077 29 H PHE 5 H PHE 5 20.360 -3.935 -8.168 30 HA PHE 5 HA PHE 5 17.741 -4.691 -7.842 31 HB2 PHE 5 HB3 PHE 5 18.948 -4.345 -9.937 32 HB3 PHE 5 HB2 PHE 5 20.046 -5.663 -9.570 33 HD1 PHE 5 HD1 PHE 5 16.280 -5.535 -9.305 34 HD2 PHE 5 HD2 PHE 5 19.742 -7.232 -11.254 35 HE1 PHE 5 HE1 PHE 5 14.828 -7.169 -10.477 36 HE2 PHE 5 HE2 PHE 5 18.276 -8.847 -12.432 37 HZ PHE 5 HZ PHE 5 15.831 -8.812 -12.030 38 H GLY 6 H GLY 6 16.820 -6.207 -6.655 39 HA2 GLY 6 HA2 GLY 6 16.340 -8.212 -5.733 40 HA3 GLY 6 HA3 GLY 6 17.838 -8.893 -6.374 41 H LYS 7 H LYS 7 17.526 -6.011 -4.239 42 HA LYS 7 HA LYS 7 18.624 -7.570 -1.952 43 HB2 LYS 7 HB3 LYS 7 19.390 -4.743 -2.769 44 HB3 LYS 7 HB2 LYS 7 19.876 -5.577 -1.292 45 HG2 LYS 7 HG3 LYS 7 20.968 -7.362 -2.686 46 HG3 LYS 7 HG2 LYS 7 20.611 -6.397 -4.136 47 HD2 LYS 7 HD3 LYS 7 21.912 -4.510 -3.196 48 HD3 LYS 7 HD2 LYS 7 22.267 -5.477 -1.746 49 HE2 LYS 7 HE3 LYS 7 23.432 -7.154 -3.116 50 HE3 LYS 7 HE2 LYS 7 23.044 -6.256 -4.593 51 HZ1 LYS 7 HZ1 LYS 7 24.698 -5.276 -2.375 52 HZ2 LYS 7 HZ2 LYS 7 24.336 -4.435 -3.747 53 HZ3 LYS 7 HZ3 LYS 7 25.252 -5.804 -3.836 54 H SER 8 H SER 8 17.868 -7.123 0.017 55 HA SER 8 HA SER 8 15.155 -6.364 0.225 56 HB2 SER 8 HB3 SER 8 16.290 -8.036 1.654 57 HB3 SER 8 HB2 SER 8 17.234 -6.740 2.420 58 HG SER 8 HG SER 8 15.230 -5.822 3.078 59 H CYS 9 H CYS 9 14.172 -4.511 0.675 60 HA CYS 9 HA CYS 9 15.824 -2.060 0.846 61 HB2 CYS 9 HB3 CYS 9 14.038 -1.008 -0.320 62 HB3 CYS 9 HB2 CYS 9 14.327 -2.543 -1.113 63 H VAL 10 H VAL 10 14.666 -0.183 1.728 64 HA VAL 10 HA VAL 10 13.389 -0.424 4.335 65 HB VAL 10 HB VAL 10 13.939 1.845 2.380 66 HG11 VAL 10 HG11 VAL 10 11.801 2.437 3.390 67 HG12 VAL 10 HG12 VAL 10 13.074 3.419 4.111 68 HG13 VAL 10 HG13 VAL 10 12.413 2.037 5.012 69 HG21 VAL 10 HG21 VAL 10 15.396 2.669 4.165 70 HG22 VAL 10 HG22 VAL 10 15.831 0.995 3.785 71 HG23 VAL 10 HG23 VAL 10 14.879 1.348 5.240 72 HA PRO 11 HA PRO 11 9.408 -1.085 2.216 73 HB2 PRO 11 HB3 PRO 11 7.714 -1.035 4.356 74 HB3 PRO 11 HB2 PRO 11 8.815 -2.396 4.007 75 HG2 PRO 11 HG3 PRO 11 9.259 -0.108 5.945 76 HG3 PRO 11 HG2 PRO 11 9.496 -1.862 6.227 77 HD2 PRO 11 HD3 PRO 11 11.550 -0.183 5.561 78 HD3 PRO 11 HD2 PRO 11 11.503 -1.882 5.001 79 H GLY 12 H GLY 12 9.682 0.828 1.102 80 HA2 GLY 12 HA2 GLY 12 7.650 2.669 1.050 81 HA3 GLY 12 HA3 GLY 12 8.886 3.429 2.061 82 H LYS 13 H LYS 13 10.261 1.308 -0.322 83 HA LYS 13 HA LYS 13 11.482 1.552 -2.118 84 HB2 LYS 13 HB3 LYS 13 9.429 3.665 -2.898 85 HB3 LYS 13 HB2 LYS 13 10.534 2.852 -4.005 86 HG2 LYS 13 HG3 LYS 13 9.452 0.739 -3.718 87 HG3 LYS 13 HG2 LYS 13 8.466 1.323 -2.369 88 HD2 LYS 13 HD3 LYS 13 7.239 2.841 -3.814 89 HD3 LYS 13 HD2 LYS 13 8.303 2.479 -5.176 90 HE2 LYS 13 HE3 LYS 13 6.212 1.278 -5.447 91 HE3 LYS 13 HE2 LYS 13 7.526 0.124 -5.167 92 HZ1 LYS 13 HZ1 LYS 13 5.602 1.060 -3.154 93 HZ2 LYS 13 HZ2 LYS 13 6.821 -0.018 -2.888 94 HZ3 LYS 13 HZ3 LYS 13 5.581 -0.410 -3.903 95 H ASN 14 H ASN 14 12.156 3.227 0.226 96 HA ASN 14 HA ASN 14 13.070 5.763 -0.772 97 HB2 ASN 14 HB3 ASN 14 13.595 4.396 1.899 98 HB3 ASN 14 HB2 ASN 14 13.959 6.073 1.511 99 HD21 ASN 14 HD21 ASN 14 12.055 7.457 0.735 100 HD22 ASN 14 HD22 ASN 14 10.512 7.178 1.510 101 H GLU 15 H GLU 15 14.493 2.608 -0.763 102 HA GLU 15 HA GLU 15 17.262 3.649 -0.643 103 HB2 GLU 15 HB3 GLU 15 16.045 0.883 -0.387 104 HB3 GLU 15 HB2 GLU 15 17.770 1.139 -0.645 105 HG2 GLU 15 HG3 GLU 15 16.221 2.356 1.665 106 HG3 GLU 15 HG2 GLU 15 17.153 0.854 1.754 107 H CYS 16 H CYS 16 15.243 1.551 -2.782 108 HA CYS 16 HA CYS 16 17.264 0.533 -4.232 109 HB2 CYS 16 HB3 CYS 16 14.478 1.137 -5.252 110 HB3 CYS 16 HB2 CYS 16 15.606 -0.024 -5.952 111 H CYS 17 H CYS 17 18.475 0.918 -5.998 112 HA CYS 17 HA CYS 17 19.194 3.556 -6.613 113 HB2 CYS 17 HB3 CYS 17 19.811 1.017 -8.163 114 HB3 CYS 17 HB2 CYS 17 20.692 2.527 -8.270 115 H SER 18 H SER 18 19.615 4.218 -8.994 116 HA SER 18 HA SER 18 17.166 4.923 -10.215 117 HB2 SER 18 HB3 SER 18 18.602 5.825 -12.017 118 HB3 SER 18 HB2 SER 18 19.101 6.329 -10.395 119 HG SER 18 HG SER 18 20.713 4.702 -10.482 120 H GLY 19 H GLY 19 15.831 3.641 -11.207 121 HA2 GLY 19 HA2 GLY 19 15.157 2.479 -13.169 122 HA3 GLY 19 HA3 GLY 19 16.732 1.683 -13.255 123 H LEU 20 H LEU 20 15.213 1.990 -10.121 124 HA LEU 20 HA LEU 20 14.108 -0.756 -10.152 125 HB2 LEU 20 HB3 LEU 20 16.013 0.365 -8.067 126 HB3 LEU 20 HB2 LEU 20 15.193 -1.185 -7.963 127 HG LEU 20 HG LEU 20 17.216 -0.496 -10.127 128 HD11 LEU 20 HD11 LEU 20 17.627 -2.074 -7.558 129 HD12 LEU 20 HD12 LEU 20 18.206 -0.429 -7.852 130 HD13 LEU 20 HD13 LEU 20 18.836 -1.764 -8.830 131 HD21 LEU 20 HD21 LEU 20 16.090 -3.182 -9.203 132 HD22 LEU 20 HD22 LEU 20 17.295 -2.924 -10.490 133 HD23 LEU 20 HD23 LEU 20 15.648 -2.346 -10.703 134 H THR 21 H THR 21 12.742 -1.169 -8.391 135 HA THR 21 HA THR 21 11.783 0.935 -6.636 136 HB THR 21 HB THR 21 10.521 1.383 -8.707 137 HG1 THR 21 HG1 THR 21 8.487 1.289 -7.699 138 HG21 THR 21 HG21 THR 21 10.411 -1.004 -9.599 139 HG22 THR 21 HG22 THR 21 8.888 -0.100 -9.643 140 HG23 THR 21 HG23 THR 21 9.154 -1.322 -8.388 141 H CYS 22 H CYS 22 11.173 0.003 -4.704 142 HA CYS 22 HA CYS 22 11.627 -2.815 -4.463 143 HB2 CYS 22 HB3 CYS 22 12.172 -1.051 -2.717 144 HB3 CYS 22 HB2 CYS 22 10.455 -1.082 -2.285 145 H SER 23 H SER 23 10.275 -4.428 -4.660 146 HA SER 23 HA SER 23 7.536 -4.345 -5.248 147 HB2 SER 23 HB3 SER 23 9.142 -6.198 -5.682 148 HB3 SER 23 HB2 SER 23 9.206 -6.545 -3.954 149 HG SER 23 HG SER 23 6.894 -6.627 -5.607 150 H ASN 24 H ASN 24 5.700 -4.445 -4.019 151 HA ASN 24 HA ASN 24 5.722 -3.884 -1.189 152 HB2 ASN 24 HB3 ASN 24 3.941 -3.105 -2.700 153 HB3 ASN 24 HB2 ASN 24 3.506 -4.771 -3.090 154 HD21 ASN 24 HD21 ASN 24 3.776 -2.438 -0.358 155 HD22 ASN 24 HD22 ASN 24 2.498 -3.145 0.605 156 H LYS 25 H LYS 25 5.141 -6.783 -3.223 157 HA LYS 25 HA LYS 25 4.351 -8.469 -1.003 158 HB2 LYS 25 HB3 LYS 25 4.856 -8.950 -3.963 159 HB3 LYS 25 HB2 LYS 25 4.440 -10.247 -2.833 160 HG2 LYS 25 HG3 LYS 25 2.332 -9.123 -2.245 161 HG3 LYS 25 HG2 LYS 25 2.701 -7.786 -3.345 162 HD2 LYS 25 HD3 LYS 25 2.740 -9.368 -5.261 163 HD3 LYS 25 HD2 LYS 25 2.333 -10.702 -4.156 164 HE2 LYS 25 HE3 LYS 25 0.229 -9.551 -3.542 165 HE3 LYS 25 HE2 LYS 25 0.638 -8.214 -4.636 166 HZ1 LYS 25 HZ1 LYS 25 -0.858 -9.761 -5.648 167 HZ2 LYS 25 HZ2 LYS 25 0.203 -11.005 -5.433 168 HZ3 LYS 25 HZ3 LYS 25 0.584 -9.763 -6.449 169 H HIS 26 H HIS 26 7.048 -8.806 -3.386 170 HA HIS 26 HA HIS 26 8.431 -10.780 -1.934 171 HB2 HIS 26 HB3 HIS 26 8.525 -10.135 -4.422 172 HB3 HIS 26 HB2 HIS 26 9.673 -8.887 -3.958 173 HD1 HIS 26 HD1 HIS 26 11.770 -10.284 -2.244 174 HD2 HIS 26 HD2 HIS 26 9.713 -12.193 -5.368 175 HE1 HIS 26 HE1 HIS 26 13.183 -12.296 -2.929 176 H LYS 27 H LYS 27 8.601 -7.258 -1.792 177 HA LYS 27 HA LYS 27 9.786 -5.768 -0.714 178 HB2 LYS 27 HB3 LYS 27 8.668 -7.050 1.177 179 HB3 LYS 27 HB2 LYS 27 10.224 -7.801 1.483 180 HG2 LYS 27 HG3 LYS 27 9.859 -5.924 2.992 181 HG3 LYS 27 HG2 LYS 27 11.229 -5.587 1.944 182 HD2 LYS 27 HD3 LYS 27 9.844 -3.600 2.272 183 HD3 LYS 27 HD2 LYS 27 9.854 -4.067 0.577 184 HE2 LYS 27 HE3 LYS 27 7.647 -5.162 0.853 185 HE3 LYS 27 HE2 LYS 27 7.625 -4.666 2.558 186 HZ1 LYS 27 HZ1 LYS 27 7.730 -2.864 0.241 187 HZ2 LYS 27 HZ2 LYS 27 7.703 -2.396 1.823 188 HZ3 LYS 27 HZ3 LYS 27 6.400 -3.168 1.168 189 H TRP 28 H TRP 28 11.139 -6.505 -2.695 190 HA TRP 28 HA TRP 28 13.792 -5.853 -1.783 191 HB2 TRP 28 HB3 TRP 28 15.042 -7.458 -2.911 192 HB3 TRP 28 HB2 TRP 28 13.881 -8.345 -1.969 193 HD1 TRP 28 HD1 TRP 28 11.882 -7.614 -4.892 194 HE1 TRP 28 HE1 TRP 28 12.034 -9.389 -6.674 195 HE3 TRP 28 HE3 TRP 28 16.026 -10.068 -3.182 196 HZ2 TRP 28 HZ2 TRP 28 13.777 -11.616 -7.347 197 HZ3 TRP 28 HZ3 TRP 28 16.905 -12.027 -4.415 198 HH2 TRP 28 HH2 TRP 28 15.795 -12.806 -6.496 199 H CYS 29 H CYS 29 15.147 -5.021 -3.617 200 HA CYS 29 HA CYS 29 13.649 -3.263 -5.312 201 HB2 CYS 29 HB3 CYS 29 16.556 -4.093 -5.427 202 HB3 CYS 29 HB2 CYS 29 15.837 -2.715 -6.261 203 H LYS 30 H LYS 30 12.941 -3.496 -7.340 204 HA LYS 30 HA LYS 30 14.042 -5.529 -9.117 205 HB2 LYS 30 HB3 LYS 30 11.852 -6.422 -9.757 206 HB3 LYS 30 HB2 LYS 30 12.318 -6.817 -8.104 207 HG2 LYS 30 HG3 LYS 30 10.762 -5.202 -7.194 208 HG3 LYS 30 HG2 LYS 30 10.426 -4.532 -8.793 209 HD2 LYS 30 HD3 LYS 30 8.604 -5.954 -8.000 210 HD3 LYS 30 HD2 LYS 30 9.296 -6.570 -9.493 211 HE2 LYS 30 HE3 LYS 30 10.209 -7.644 -6.806 212 HE3 LYS 30 HE2 LYS 30 8.699 -8.209 -7.544 213 HZ1 LYS 30 HZ1 LYS 30 11.344 -8.376 -8.783 214 HZ2 LYS 30 HZ2 LYS 30 9.927 -8.890 -9.452 215 HZ3 LYS 30 HZ3 LYS 30 10.512 -9.622 -8.095 216 H VAL 31 H VAL 31 13.301 -5.258 -11.340 217 HA VAL 31 HA VAL 31 14.048 -2.682 -12.041 218 HB VAL 31 HB VAL 31 12.737 -4.642 -13.944 219 HG11 VAL 31 HG11 VAL 31 13.244 -2.363 -14.834 220 HG12 VAL 31 HG12 VAL 31 14.268 -3.597 -15.579 221 HG13 VAL 31 HG13 VAL 31 14.929 -2.542 -14.312 222 HG21 VAL 31 HG21 VAL 31 14.437 -5.923 -12.751 223 HG22 VAL 31 HG22 VAL 31 15.066 -5.507 -14.344 224 HG23 VAL 31 HG23 VAL 31 15.615 -4.598 -12.918 225 H LEU 32 H LEU 32 13.056 -0.852 -12.111 226 HA LEU 32 HA LEU 32 10.342 -0.315 -11.727 227 HB2 LEU 32 HB3 LEU 32 12.071 1.296 -11.238 228 HB3 LEU 32 HB2 LEU 32 12.643 1.266 -12.886 229 HG LEU 32 HG LEU 32 10.507 2.380 -13.613 230 HD11 LEU 32 HD11 LEU 32 9.002 1.613 -11.793 231 HD12 LEU 32 HD12 LEU 32 9.025 3.377 -11.904 232 HD13 LEU 32 HD13 LEU 32 9.937 2.563 -10.618 233 HD21 LEU 32 HD21 LEU 32 11.065 4.586 -12.669 234 HD22 LEU 32 HD22 LEU 32 12.046 3.812 -11.405 235 HD23 LEU 32 HD23 LEU 32 12.530 3.693 -13.111 236 H LEU 33 H LEU 33 12.206 -0.322 -14.702 237 HA LEU 33 HA LEU 33 10.014 0.151 -16.518 238 HB2 LEU 33 HB3 LEU 33 12.866 -0.857 -16.857 239 HB3 LEU 33 HB2 LEU 33 11.718 -0.809 -18.190 240 HG LEU 33 HG LEU 33 11.422 1.631 -17.901 241 HD11 LEU 33 HD11 LEU 33 13.647 1.384 -15.823 242 HD12 LEU 33 HD12 LEU 33 12.014 2.053 -15.582 243 HD13 LEU 33 HD13 LEU 33 13.165 2.907 -16.603 244 HD21 LEU 33 HD21 LEU 33 14.307 0.720 -18.292 245 HD22 LEU 33 HD22 LEU 33 13.598 2.239 -18.884 246 HD23 LEU 33 HD23 LEU 33 13.026 0.692 -19.526 247 HN1 NH2 34 HN1 AMD 34 8.406 -1.264 -16.948 248 HN2 NH2 34 HN2 AMD 34 8.536 -3.007 -16.891 Start of MODEL 20 1 H1 GLU 1 H1 AMN 0 23.668 6.302 -0.359 2 H2 GLU 1 H2 AMN 0 25.257 5.955 -0.632 3 H3 GLU 1 H3 AMN 0 24.193 5.992 -1.892 4 HA GLU 1 HA GLU 1 24.736 3.762 -1.334 5 HB2 GLU 1 HB3 GLU 1 25.259 4.217 1.042 6 HB3 GLU 1 HB2 GLU 1 23.543 4.456 1.379 7 HG2 GLU 1 HG3 GLU 1 24.270 2.211 2.049 8 HG3 GLU 1 HG2 GLU 1 23.072 2.107 0.763 9 H CYS 2 H CYS 2 23.382 2.712 -2.579 10 HA CYS 2 HA CYS 2 20.493 2.810 -2.037 11 HB2 CYS 2 HB3 CYS 2 19.960 3.012 -4.349 12 HB3 CYS 2 HB2 CYS 2 21.048 4.319 -3.923 13 H LYS 3 H LYS 3 19.326 0.978 -2.723 14 HA LYS 3 HA LYS 3 20.848 -1.516 -2.395 15 HB2 LYS 3 HB3 LYS 3 17.884 -0.840 -2.285 16 HB3 LYS 3 HB2 LYS 3 18.550 -2.443 -1.988 17 HG2 LYS 3 HG3 LYS 3 19.080 0.075 -0.346 18 HG3 LYS 3 HG2 LYS 3 18.004 -1.251 0.088 19 HD2 LYS 3 HD3 LYS 3 19.910 -2.797 0.224 20 HD3 LYS 3 HD2 LYS 3 21.026 -1.478 -0.211 21 HE2 LYS 3 HE3 LYS 3 20.288 -0.209 1.782 22 HE3 LYS 3 HE2 LYS 3 19.217 -1.552 2.233 23 HZ1 LYS 3 HZ1 LYS 3 21.147 -2.946 2.401 24 HZ2 LYS 3 HZ2 LYS 3 21.294 -1.637 3.395 25 HZ3 LYS 3 HZ3 LYS 3 22.139 -1.698 1.979 26 H GLY 4 H GLY 4 21.443 -2.660 -4.124 27 HA2 GLY 4 HA2 GLY 4 20.563 -2.065 -6.782 28 HA3 GLY 4 HA3 GLY 4 21.653 -3.359 -6.268 29 H PHE 5 H PHE 5 20.116 -4.064 -8.282 30 HA PHE 5 HA PHE 5 17.512 -4.892 -7.890 31 HB2 PHE 5 HB3 PHE 5 18.688 -4.464 -10.005 32 HB3 PHE 5 HB2 PHE 5 19.781 -5.802 -9.704 33 HD1 PHE 5 HD1 PHE 5 16.179 -6.279 -8.942 34 HD2 PHE 5 HD2 PHE 5 19.281 -6.647 -11.926 35 HE1 PHE 5 HE1 PHE 5 14.730 -7.779 -10.261 36 HE2 PHE 5 HE2 PHE 5 17.813 -8.147 -13.248 37 HZ PHE 5 HZ PHE 5 15.550 -8.709 -12.407 38 H GLY 6 H GLY 6 16.736 -6.418 -6.585 39 HA2 GLY 6 HA2 GLY 6 16.395 -8.472 -5.664 40 HA3 GLY 6 HA3 GLY 6 17.912 -9.068 -6.346 41 H LYS 7 H LYS 7 17.517 -6.148 -4.311 42 HA LYS 7 HA LYS 7 18.760 -7.529 -1.990 43 HB2 LYS 7 HB3 LYS 7 20.388 -6.116 -3.285 44 HB3 LYS 7 HB2 LYS 7 19.385 -4.701 -2.910 45 HG2 LYS 7 HG3 LYS 7 19.733 -5.100 -0.486 46 HG3 LYS 7 HG2 LYS 7 20.717 -6.531 -0.863 47 HD2 LYS 7 HD3 LYS 7 22.331 -5.104 -2.087 48 HD3 LYS 7 HD2 LYS 7 21.331 -3.676 -1.742 49 HE2 LYS 7 HE3 LYS 7 21.638 -4.106 0.708 50 HE3 LYS 7 HE2 LYS 7 22.723 -5.451 0.308 51 HZ1 LYS 7 HZ1 LYS 7 23.131 -2.637 -0.426 52 HZ2 LYS 7 HZ2 LYS 7 24.145 -3.884 -0.799 53 HZ3 LYS 7 HZ3 LYS 7 23.919 -3.446 0.775 54 H SER 8 H SER 8 17.853 -7.128 -0.090 55 HA SER 8 HA SER 8 15.170 -6.334 0.041 56 HB2 SER 8 HB3 SER 8 16.263 -7.952 1.551 57 HB3 SER 8 HB2 SER 8 17.183 -6.631 2.305 58 HG SER 8 HG SER 8 14.351 -6.872 2.202 59 H CYS 9 H CYS 9 14.200 -4.454 0.227 60 HA CYS 9 HA CYS 9 15.765 -1.988 0.375 61 HB2 CYS 9 HB3 CYS 9 13.808 -0.943 -0.475 62 HB3 CYS 9 HB2 CYS 9 14.003 -2.445 -1.347 63 H VAL 10 H VAL 10 14.698 -0.136 1.431 64 HA VAL 10 HA VAL 10 13.692 -0.488 4.160 65 HB VAL 10 HB VAL 10 14.243 1.872 2.316 66 HG11 VAL 10 HG11 VAL 10 12.181 2.503 3.445 67 HG12 VAL 10 HG12 VAL 10 13.528 3.376 4.173 68 HG13 VAL 10 HG13 VAL 10 12.831 1.973 5.015 69 HG21 VAL 10 HG21 VAL 10 15.783 2.515 4.151 70 HG22 VAL 10 HG22 VAL 10 16.164 0.898 3.533 71 HG23 VAL 10 HG23 VAL 10 15.293 1.077 5.072 72 HA PRO 11 HA PRO 11 9.589 -0.974 2.254 73 HB2 PRO 11 HB3 PRO 11 8.015 -0.888 4.496 74 HB3 PRO 11 HB2 PRO 11 9.008 -2.296 4.031 75 HG2 PRO 11 HG3 PRO 11 9.693 -0.119 6.022 76 HG3 PRO 11 HG2 PRO 11 9.867 -1.893 6.212 77 HD2 PRO 11 HD3 PRO 11 11.951 -0.279 5.497 78 HD3 PRO 11 HD2 PRO 11 11.789 -1.940 4.853 79 H GLY 12 H GLY 12 9.630 0.881 1.095 80 HA2 GLY 12 HA2 GLY 12 7.827 2.957 1.464 81 HA3 GLY 12 HA3 GLY 12 9.366 3.527 2.130 82 H LYS 13 H LYS 13 10.508 1.484 -0.136 83 HA LYS 13 HA LYS 13 11.517 1.648 -2.063 84 HB2 LYS 13 HB3 LYS 13 9.389 3.643 -2.950 85 HB3 LYS 13 HB2 LYS 13 10.482 2.743 -3.993 86 HG2 LYS 13 HG3 LYS 13 9.386 0.656 -3.517 87 HG3 LYS 13 HG2 LYS 13 8.405 1.371 -2.225 88 HD2 LYS 13 HD3 LYS 13 7.254 2.819 -3.826 89 HD3 LYS 13 HD2 LYS 13 8.241 2.179 -5.156 90 HE2 LYS 13 HE3 LYS 13 7.323 -0.069 -4.786 91 HE3 LYS 13 HE2 LYS 13 6.399 0.512 -3.386 92 HZ1 LYS 13 HZ1 LYS 13 6.050 1.393 -6.163 93 HZ2 LYS 13 HZ2 LYS 13 5.194 1.944 -4.865 94 HZ3 LYS 13 HZ3 LYS 13 5.054 0.370 -5.338 95 H ASN 14 H ASN 14 12.201 3.254 0.183 96 HA ASN 14 HA ASN 14 12.860 5.925 -0.686 97 HB2 ASN 14 HB3 ASN 14 13.580 4.441 1.878 98 HB3 ASN 14 HB2 ASN 14 13.854 6.151 1.571 99 HD21 ASN 14 HD21 ASN 14 12.323 5.171 3.773 100 HD22 ASN 14 HD22 ASN 14 10.673 5.702 3.554 101 H GLU 15 H GLU 15 14.513 2.861 -0.830 102 HA GLU 15 HA GLU 15 17.178 4.216 -1.022 103 HB2 GLU 15 HB3 GLU 15 16.446 1.584 0.288 104 HB3 GLU 15 HB2 GLU 15 18.094 2.142 -0.001 105 HG2 GLU 15 HG3 GLU 15 16.049 3.541 1.763 106 HG3 GLU 15 HG2 GLU 15 17.433 2.584 2.297 107 H CYS 16 H CYS 16 15.055 1.935 -2.730 108 HA CYS 16 HA CYS 16 17.052 0.454 -4.037 109 HB2 CYS 16 HB3 CYS 16 14.329 1.321 -5.054 110 HB3 CYS 16 HB2 CYS 16 15.355 0.097 -5.799 111 H CYS 17 H CYS 17 18.361 0.767 -5.749 112 HA CYS 17 HA CYS 17 19.252 3.328 -6.454 113 HB2 CYS 17 HB3 CYS 17 19.638 0.692 -7.910 114 HB3 CYS 17 HB2 CYS 17 20.577 2.147 -8.182 115 H SER 18 H SER 18 19.523 4.146 -8.707 116 HA SER 18 HA SER 18 17.052 4.868 -9.825 117 HB2 SER 18 HB3 SER 18 18.416 5.924 -11.595 118 HB3 SER 18 HB2 SER 18 18.967 6.304 -9.956 119 HG SER 18 HG SER 18 20.104 4.364 -11.686 120 H GLY 19 H GLY 19 15.694 3.676 -10.888 121 HA2 GLY 19 HA2 GLY 19 15.002 2.715 -12.955 122 HA3 GLY 19 HA3 GLY 19 16.552 1.884 -13.103 123 H LEU 20 H LEU 20 15.098 1.932 -9.942 124 HA LEU 20 HA LEU 20 13.969 -0.806 -10.207 125 HB2 LEU 20 HB3 LEU 20 15.631 0.249 -7.907 126 HB3 LEU 20 HB2 LEU 20 14.954 -1.368 -8.040 127 HG LEU 20 HG LEU 20 17.146 -0.229 -9.821 128 HD11 LEU 20 HD11 LEU 20 17.341 -2.261 -7.567 129 HD12 LEU 20 HD12 LEU 20 17.802 -0.555 -7.441 130 HD13 LEU 20 HD13 LEU 20 18.674 -1.619 -8.556 131 HD21 LEU 20 HD21 LEU 20 16.054 -3.076 -9.594 132 HD22 LEU 20 HD22 LEU 20 17.493 -2.585 -10.521 133 HD23 LEU 20 HD23 LEU 20 15.912 -1.990 -10.995 134 H THR 21 H THR 21 12.733 -1.323 -8.159 135 HA THR 21 HA THR 21 11.518 0.760 -6.619 136 HB THR 21 HB THR 21 10.233 1.132 -8.673 137 HG1 THR 21 HG1 THR 21 8.193 0.823 -7.731 138 HG21 THR 21 HG21 THR 21 8.702 -0.478 -9.638 139 HG22 THR 21 HG22 THR 21 9.186 -1.729 -8.484 140 HG23 THR 21 HG23 THR 21 10.333 -1.153 -9.713 141 H CYS 22 H CYS 22 10.920 -0.152 -4.681 142 HA CYS 22 HA CYS 22 11.426 -2.962 -4.355 143 HB2 CYS 22 HB3 CYS 22 11.907 -1.157 -2.644 144 HB3 CYS 22 HB2 CYS 22 10.181 -1.170 -2.262 145 H SER 23 H SER 23 10.068 -4.563 -4.737 146 HA SER 23 HA SER 23 7.280 -4.428 -5.179 147 HB2 SER 23 HB3 SER 23 8.818 -6.282 -5.824 148 HB3 SER 23 HB2 SER 23 8.987 -6.721 -4.118 149 HG SER 23 HG SER 23 7.383 -7.948 -5.208 150 H ASN 24 H ASN 24 5.570 -4.373 -3.789 151 HA ASN 24 HA ASN 24 5.904 -4.024 -0.945 152 HB2 ASN 24 HB3 ASN 24 3.423 -4.576 -2.625 153 HB3 ASN 24 HB2 ASN 24 3.431 -4.057 -0.936 154 HD21 ASN 24 HD21 ASN 24 4.714 -1.948 -0.488 155 HD22 ASN 24 HD22 ASN 24 4.536 -0.667 -1.667 156 H LYS 25 H LYS 25 5.135 -6.750 -3.087 157 HA LYS 25 HA LYS 25 4.321 -8.582 -0.986 158 HB2 LYS 25 HB3 LYS 25 4.902 -8.872 -3.960 159 HB3 LYS 25 HB2 LYS 25 4.481 -10.241 -2.921 160 HG2 LYS 25 HG3 LYS 25 2.332 -9.207 -2.338 161 HG3 LYS 25 HG2 LYS 25 2.711 -7.782 -3.320 162 HD2 LYS 25 HD3 LYS 25 2.853 -9.217 -5.347 163 HD3 LYS 25 HD2 LYS 25 2.423 -10.634 -4.362 164 HE2 LYS 25 HE3 LYS 25 0.279 -9.559 -3.752 165 HE3 LYS 25 HE2 LYS 25 0.714 -8.133 -4.715 166 HZ1 LYS 25 HZ1 LYS 25 -0.718 -9.604 -5.912 167 HZ2 LYS 25 HZ2 LYS 25 0.348 -10.852 -5.755 168 HZ3 LYS 25 HZ3 LYS 25 0.755 -9.527 -6.648 169 H HIS 26 H HIS 26 7.022 -8.789 -3.368 170 HA HIS 26 HA HIS 26 8.418 -10.794 -1.942 171 HB2 HIS 26 HB3 HIS 26 9.367 -8.941 -4.161 172 HB3 HIS 26 HB2 HIS 26 10.185 -10.403 -3.624 173 HD1 HIS 26 HD1 HIS 26 6.785 -9.451 -5.249 174 HD2 HIS 26 HD2 HIS 26 9.465 -12.649 -4.759 175 HE1 HIS 26 HE1 HIS 26 5.923 -11.358 -6.709 176 H LYS 27 H LYS 27 8.519 -7.320 -1.643 177 HA LYS 27 HA LYS 27 9.703 -5.867 -0.491 178 HB2 LYS 27 HB3 LYS 27 8.641 -7.336 1.261 179 HB3 LYS 27 HB2 LYS 27 10.203 -8.107 1.484 180 HG2 LYS 27 HG3 LYS 27 9.701 -6.369 3.176 181 HG3 LYS 27 HG2 LYS 27 11.181 -6.032 2.296 182 HD2 LYS 27 HD3 LYS 27 9.851 -4.003 2.693 183 HD3 LYS 27 HD2 LYS 27 10.078 -4.307 0.975 184 HE2 LYS 27 HE3 LYS 27 7.798 -5.295 0.846 185 HE3 LYS 27 HE2 LYS 27 7.564 -4.939 2.570 186 HZ1 LYS 27 HZ1 LYS 27 8.078 -2.965 0.458 187 HZ2 LYS 27 HZ2 LYS 27 7.859 -2.625 2.057 188 HZ3 LYS 27 HZ3 LYS 27 6.620 -3.260 1.171 189 H TRP 28 H TRP 28 11.079 -6.630 -2.596 190 HA TRP 28 HA TRP 28 13.689 -5.775 -1.702 191 HB2 TRP 28 HB3 TRP 28 15.020 -7.339 -2.845 192 HB3 TRP 28 HB2 TRP 28 13.977 -8.221 -1.767 193 HD1 TRP 28 HD1 TRP 28 11.831 -7.769 -4.674 194 HE1 TRP 28 HE1 TRP 28 11.981 -9.674 -6.317 195 HE3 TRP 28 HE3 TRP 28 16.093 -9.964 -2.907 196 HZ2 TRP 28 HZ2 TRP 28 13.759 -11.918 -6.850 197 HZ3 TRP 28 HZ3 TRP 28 17.001 -11.986 -4.014 198 HH2 TRP 28 HH2 TRP 28 15.848 -12.967 -5.983 199 H CYS 29 H CYS 29 15.009 -4.945 -3.517 200 HA CYS 29 HA CYS 29 13.453 -3.257 -5.240 201 HB2 CYS 29 HB3 CYS 29 16.406 -3.897 -5.234 202 HB3 CYS 29 HB2 CYS 29 15.642 -2.538 -6.060 203 H LYS 30 H LYS 30 12.909 -3.483 -7.343 204 HA LYS 30 HA LYS 30 14.199 -5.439 -9.061 205 HB2 LYS 30 HB3 LYS 30 12.111 -6.535 -9.741 206 HB3 LYS 30 HB2 LYS 30 12.592 -6.890 -8.088 207 HG2 LYS 30 HG3 LYS 30 10.869 -5.360 -7.217 208 HG3 LYS 30 HG2 LYS 30 10.457 -4.848 -8.861 209 HD2 LYS 30 HD3 LYS 30 8.815 -6.460 -8.075 210 HD3 LYS 30 HD2 LYS 30 9.738 -7.149 -9.412 211 HE2 LYS 30 HE3 LYS 30 11.144 -8.413 -7.811 212 HE3 LYS 30 HE2 LYS 30 10.246 -7.704 -6.456 213 HZ1 LYS 30 HZ1 LYS 30 9.120 -9.415 -8.557 214 HZ2 LYS 30 HZ2 LYS 30 8.280 -8.759 -7.298 215 HZ3 LYS 30 HZ3 LYS 30 9.458 -9.876 -7.009 216 H VAL 31 H VAL 31 13.760 -5.174 -11.252 217 HA VAL 31 HA VAL 31 14.150 -2.555 -11.949 218 HB VAL 31 HB VAL 31 13.429 -4.912 -13.720 219 HG11 VAL 31 HG11 VAL 31 13.133 -2.841 -15.007 220 HG12 VAL 31 HG12 VAL 31 14.623 -3.639 -15.513 221 HG13 VAL 31 HG13 VAL 31 14.702 -2.229 -14.433 222 HG21 VAL 31 HG21 VAL 31 15.880 -5.081 -14.037 223 HG22 VAL 31 HG22 VAL 31 16.133 -3.726 -12.916 224 HG23 VAL 31 HG23 VAL 31 15.467 -5.262 -12.331 225 H LEU 32 H LEU 32 12.906 -0.904 -11.899 226 HA LEU 32 HA LEU 32 10.089 -0.834 -12.541 227 HB2 LEU 32 HB3 LEU 32 11.053 0.761 -10.965 228 HB3 LEU 32 HB2 LEU 32 12.227 1.295 -12.154 229 HG LEU 32 HG LEU 32 10.357 2.241 -13.530 230 HD11 LEU 32 HD11 LEU 32 8.601 1.454 -11.160 231 HD12 LEU 32 HD12 LEU 32 8.492 0.788 -12.806 232 HD13 LEU 32 HD13 LEU 32 8.111 2.490 -12.517 233 HD21 LEU 32 HD21 LEU 32 9.899 4.141 -12.034 234 HD22 LEU 32 HD22 LEU 32 10.443 3.189 -10.634 235 HD23 LEU 32 HD23 LEU 32 11.592 3.634 -11.916 236 H LEU 33 H LEU 33 13.024 0.421 -14.022 237 HA LEU 33 HA LEU 33 11.668 0.988 -16.570 238 HB2 LEU 33 HB3 LEU 33 14.482 1.611 -15.590 239 HB3 LEU 33 HB2 LEU 33 13.786 2.154 -17.118 240 HG LEU 33 HG LEU 33 12.826 2.946 -14.328 241 HD11 LEU 33 HD11 LEU 33 14.248 4.558 -16.488 242 HD12 LEU 33 HD12 LEU 33 14.995 3.939 -15.001 243 HD13 LEU 33 HD13 LEU 33 13.713 5.157 -14.902 244 HD21 LEU 33 HD21 LEU 33 11.825 3.860 -17.064 245 HD22 LEU 33 HD22 LEU 33 11.388 4.601 -15.508 246 HD23 LEU 33 HD23 LEU 33 10.898 2.942 -15.855 247 HN1 NH2 34 HN1 AMD 34 11.340 -0.957 -17.624 248 HN2 NH2 34 HN2 AMD 34 12.649 -1.990 -18.152
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