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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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612892 |
5tlr ![]() ![]() |
30190 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -11.705 6.278 0.476 2 H2 GLY 1 H2 GLY 1 -10.462 5.154 0.772 3 H3 GLY 1 H3 GLY 1 -10.629 5.833 -0.741 4 HA2 GLY 1 HA2 GLY 1 -10.011 7.965 0.039 5 HA3 GLY 1 HA3 GLY 1 -9.899 7.325 1.679 6 H CYS 2 H CYS 2 -7.665 8.437 0.872 7 HA CYS 2 HA CYS 2 -6.021 6.423 -0.427 8 HB2 CYS 2 HB3 CYS 2 -5.525 9.300 0.255 9 HB3 CYS 2 HB2 CYS 2 -4.352 8.238 -0.467 10 H LEU 3 H LEU 3 -3.683 6.562 0.431 11 HA LEU 3 HA LEU 3 -3.503 6.623 3.320 12 HB2 LEU 3 HB3 LEU 3 -2.242 4.645 1.407 13 HB3 LEU 3 HB2 LEU 3 -1.946 4.740 3.112 14 HG LEU 3 HG LEU 3 -4.558 3.924 1.817 15 HD11 LEU 3 HD11 LEU 3 -2.828 2.229 1.621 16 HD12 LEU 3 HD12 LEU 3 -4.085 1.726 2.749 17 HD13 LEU 3 HD13 LEU 3 -2.539 2.315 3.358 18 HD21 LEU 3 HD21 LEU 3 -4.973 5.086 3.922 19 HD22 LEU 3 HD22 LEU 3 -3.803 4.051 4.736 20 HD23 LEU 3 HD23 LEU 3 -5.295 3.359 4.094 21 H GLY 4 H GLY 4 -1.516 7.494 3.926 22 HA2 GLY 4 HA3 GLY 4 -0.171 9.196 2.040 23 HA3 GLY 4 HA2 GLY 4 0.304 8.936 3.714 24 H ILE 5 H ILE 5 2.235 9.269 2.015 25 HA ILE 5 HA ILE 5 2.945 7.001 0.583 26 HB ILE 5 HB ILE 5 3.699 9.135 -0.218 27 HG12 ILE 5 HG13 ILE 5 5.969 7.558 0.859 28 HG13 ILE 5 HG12 ILE 5 5.072 7.228 -0.629 29 HG21 ILE 5 HG21 ILE 5 5.221 9.418 2.377 30 HG22 ILE 5 HG22 ILE 5 3.834 10.381 1.862 31 HG23 ILE 5 HG23 ILE 5 5.360 10.500 0.993 32 HD11 ILE 5 HD11 ILE 5 6.776 9.668 -0.089 33 HD12 ILE 5 HD12 ILE 5 5.878 9.355 -1.573 34 HD13 ILE 5 HD13 ILE 5 7.233 8.320 -1.128 35 H TRP 6 H TRP 6 4.005 8.078 3.642 36 HA TRP 6 HA TRP 6 5.661 5.758 3.705 37 HB2 TRP 6 HB3 TRP 6 5.425 8.022 5.573 38 HB3 TRP 6 HB2 TRP 6 6.482 6.642 5.893 39 HD1 TRP 6 HD1 TRP 6 6.727 9.946 4.672 40 HE1 TRP 6 HE1 TRP 6 8.759 10.325 3.122 41 HE3 TRP 6 HE3 TRP 6 7.748 5.092 3.549 42 HZ2 TRP 6 HZ2 TRP 6 10.546 8.711 1.581 43 HZ3 TRP 6 HZ3 TRP 6 9.596 4.588 2.014 44 HH2 TRP 6 HH2 TRP 6 10.960 6.368 1.053 45 H LYS 7 H LYS 7 2.689 5.873 3.971 46 HA LYS 7 HA LYS 7 2.214 5.129 6.719 47 HB2 LYS 7 HB3 LYS 7 0.428 5.591 4.368 48 HB3 LYS 7 HB2 LYS 7 -0.144 4.952 5.893 49 HG2 LYS 7 HG3 LYS 7 1.189 7.624 5.478 50 HG3 LYS 7 HG2 LYS 7 -0.541 7.368 5.696 51 HD2 LYS 7 HD3 LYS 7 -0.081 6.430 7.940 52 HD3 LYS 7 HD2 LYS 7 1.632 6.776 7.706 53 HE2 LYS 7 HE3 LYS 7 -0.596 8.802 7.744 54 HE3 LYS 7 HE2 LYS 7 0.558 8.507 9.040 55 HZ1 LYS 7 HZ1 LYS 7 2.342 9.196 7.507 56 HZ2 LYS 7 HZ2 LYS 7 1.200 10.413 7.765 57 HZ3 LYS 7 HZ3 LYS 7 1.187 9.573 6.328 58 H ALA 8 H ALA 8 1.028 3.194 7.205 59 HA ALA 8 HA ALA 8 2.245 0.994 5.817 60 HB1 ALA 8 HB1 ALA 8 0.408 1.007 8.206 61 HB2 ALA 8 HB2 ALA 8 2.169 1.034 8.261 62 HB3 ALA 8 HB3 ALA 8 1.329 -0.372 7.606 63 H CYS 9 H CYS 9 1.342 0.222 4.106 64 HA CYS 9 HA CYS 9 -1.574 0.222 3.899 65 HB2 CYS 9 HB3 CYS 9 -1.101 -0.483 1.538 66 HB3 CYS 9 HB2 CYS 9 -0.665 1.157 1.926 67 H ASN 10 H ASN 10 -2.049 -1.845 2.300 68 HA ASN 10 HA ASN 10 -1.280 -4.078 3.989 69 HB2 ASN 10 HB3 ASN 10 -3.631 -3.522 2.235 70 HB3 ASN 10 HB2 ASN 10 -3.192 -5.164 2.654 71 HD21 ASN 10 HD21 ASN 10 -3.504 -5.847 4.810 72 HD22 ASN 10 HD22 ASN 10 -4.420 -4.925 5.933 73 HA PRO 11 HA PRO 11 1.568 -5.052 0.613 74 HB2 PRO 11 HB3 PRO 11 1.534 -7.526 2.280 75 HB3 PRO 11 HB2 PRO 11 2.913 -6.692 1.560 76 HG2 PRO 11 HG3 PRO 11 2.463 -6.382 4.117 77 HG3 PRO 11 HG2 PRO 11 2.820 -4.948 3.134 78 HD2 PRO 11 HD3 PRO 11 0.190 -5.909 4.182 79 HD3 PRO 11 HD2 PRO 11 0.830 -4.256 4.064 80 H SER 12 H SER 12 -0.926 -7.184 1.835 81 HA SER 12 HA SER 12 -1.013 -8.549 -0.745 82 HB2 SER 12 HB3 SER 12 -0.789 -9.844 1.390 83 HB3 SER 12 HB2 SER 12 -2.424 -9.326 1.800 84 HG SER 12 HG SER 12 -3.208 -10.461 0.080 85 H ASN 13 H ASN 13 -2.311 -5.809 0.217 86 HA ASN 13 HA ASN 13 -4.621 -6.167 -1.415 87 HB2 ASN 13 HB3 ASN 13 -5.589 -6.661 0.844 88 HB3 ASN 13 HB2 ASN 13 -4.969 -5.126 1.426 89 HD21 ASN 13 HD21 ASN 13 -7.325 -6.651 -0.625 90 HD22 ASN 13 HD22 ASN 13 -8.359 -5.288 -0.820 91 H ASP 14 H ASP 14 -3.124 -4.994 -2.617 92 HA ASP 14 HA ASP 14 -2.231 -2.513 -1.789 93 HB2 ASP 14 HB3 ASP 14 -0.962 -3.473 -3.511 94 HB3 ASP 14 HB2 ASP 14 -2.387 -3.800 -4.492 95 H GLN 15 H GLN 15 -3.234 -0.705 -1.668 96 HA GLN 15 HA GLN 15 -5.429 -0.061 -3.467 97 HB2 GLN 15 HB3 GLN 15 -6.481 -0.861 -1.381 98 HB3 GLN 15 HB2 GLN 15 -5.529 0.289 -0.455 99 HG2 GLN 15 HG3 GLN 15 -6.615 2.096 -1.820 100 HG3 GLN 15 HG2 GLN 15 -7.722 0.858 -2.413 101 HE21 GLN 15 HE21 GLN 15 -8.202 3.229 -0.841 102 HE22 GLN 15 HE22 GLN 15 -9.001 2.726 0.597 103 H CYS 16 H CYS 16 -4.077 1.406 -0.554 104 HA CYS 16 HA CYS 16 -3.238 3.458 -0.097 105 HB2 CYS 16 HB3 CYS 16 -1.346 2.218 -1.232 106 HB3 CYS 16 HB2 CYS 16 -1.761 3.101 -2.703 107 H CYS 17 H CYS 17 -2.322 5.392 -2.176 108 HA CYS 17 HA CYS 17 -4.968 6.531 -2.641 109 HB2 CYS 17 HB3 CYS 17 -2.931 7.860 -1.674 110 HB3 CYS 17 HB2 CYS 17 -2.436 7.814 -3.361 111 H LYS 18 H LYS 18 -5.698 5.634 -4.344 112 HA LYS 18 HA LYS 18 -4.152 5.040 -6.692 113 HB2 LYS 18 HB3 LYS 18 -7.160 5.177 -6.389 114 HB3 LYS 18 HB2 LYS 18 -6.281 4.429 -7.713 115 HG2 LYS 18 HG3 LYS 18 -5.361 2.768 -6.203 116 HG3 LYS 18 HG2 LYS 18 -6.182 3.535 -4.847 117 HD2 LYS 18 HD3 LYS 18 -8.339 3.069 -5.871 118 HD3 LYS 18 HD2 LYS 18 -7.519 2.350 -7.260 119 HE2 LYS 18 HE3 LYS 18 -6.568 0.634 -5.834 120 HE3 LYS 18 HE2 LYS 18 -7.320 1.370 -4.424 121 HZ1 LYS 18 HZ1 LYS 18 -8.537 -0.547 -5.298 122 HZ2 LYS 18 HZ2 LYS 18 -8.837 0.273 -6.736 123 HZ3 LYS 18 HZ3 LYS 18 -9.475 0.842 -5.278 124 H SER 19 H SER 19 -6.037 7.604 -5.489 125 HA SER 19 HA SER 19 -6.555 9.107 -7.777 126 HB2 SER 19 HB3 SER 19 -6.013 10.171 -5.014 127 HB3 SER 19 HB2 SER 19 -7.099 10.832 -6.243 128 HG SER 19 HG SER 19 -8.364 8.961 -6.038 129 H SER 20 H SER 20 -3.694 8.979 -5.628 130 HA SER 20 HA SER 20 -2.450 11.081 -7.246 131 HB2 SER 20 HB3 SER 20 -1.660 10.029 -4.544 132 HB3 SER 20 HB2 SER 20 -0.969 11.425 -5.384 133 HG SER 20 HG SER 20 -3.422 12.030 -5.375 134 H LYS 21 H LYS 21 -2.761 7.970 -7.289 135 HA LYS 21 HA LYS 21 -1.818 6.336 -8.318 136 HB2 LYS 21 HB3 LYS 21 0.330 8.262 -9.083 137 HB3 LYS 21 HB2 LYS 21 0.069 6.684 -9.813 138 HG2 LYS 21 HG3 LYS 21 -1.815 9.019 -9.880 139 HG3 LYS 21 HG2 LYS 21 -0.810 8.465 -11.226 140 HD2 LYS 21 HD3 LYS 21 -2.030 6.257 -11.058 141 HD3 LYS 21 HD2 LYS 21 -3.133 7.043 -9.930 142 HE2 LYS 21 HE3 LYS 21 -4.084 7.078 -12.163 143 HE3 LYS 21 HE2 LYS 21 -3.683 8.718 -11.648 144 HZ1 LYS 21 HZ1 LYS 21 -1.638 8.571 -12.957 145 HZ2 LYS 21 HZ2 LYS 21 -2.968 8.308 -13.944 146 HZ3 LYS 21 HZ3 LYS 21 -2.027 7.018 -13.430 147 H LEU 22 H LEU 22 -1.166 6.500 -5.529 148 HA LEU 22 HA LEU 22 1.534 5.603 -5.506 149 HB2 LEU 22 HB3 LEU 22 -0.392 6.421 -3.419 150 HB3 LEU 22 HB2 LEU 22 1.014 5.487 -3.020 151 HG LEU 22 HG LEU 22 2.310 7.395 -4.181 152 HD11 LEU 22 HD11 LEU 22 -0.216 8.857 -3.537 153 HD12 LEU 22 HD12 LEU 22 0.460 8.566 -5.140 154 HD13 LEU 22 HD13 LEU 22 1.314 9.606 -3.997 155 HD21 LEU 22 HD21 LEU 22 2.573 6.956 -1.853 156 HD22 LEU 22 HD22 LEU 22 1.049 7.758 -1.480 157 HD23 LEU 22 HD23 LEU 22 2.419 8.697 -2.078 158 H VAL 23 H VAL 23 1.903 3.750 -5.172 159 HA VAL 23 HA VAL 23 -0.241 1.762 -4.854 160 HB VAL 23 HB VAL 23 0.678 1.618 -7.030 161 HG11 VAL 23 HG11 VAL 23 3.061 0.994 -7.479 162 HG12 VAL 23 HG12 VAL 23 3.391 1.194 -5.757 163 HG13 VAL 23 HG13 VAL 23 2.891 2.580 -6.724 164 HG21 VAL 23 HG21 VAL 23 0.028 -0.502 -6.128 165 HG22 VAL 23 HG22 VAL 23 1.607 -0.718 -5.378 166 HG23 VAL 23 HG23 VAL 23 1.457 -0.744 -7.135 167 H CYS 24 H CYS 24 0.192 0.011 -3.663 168 HA CYS 24 HA CYS 24 1.811 0.595 -1.335 169 HB2 CYS 24 HB3 CYS 24 -0.427 -0.346 -1.051 170 HB3 CYS 24 HB2 CYS 24 0.051 -1.776 -1.960 171 H SER 25 H SER 25 3.691 -0.332 -0.800 172 HA SER 25 HA SER 25 4.802 -2.145 -2.667 173 HB2 SER 25 HB3 SER 25 6.071 -0.135 -1.807 174 HB3 SER 25 HB2 SER 25 6.111 -0.938 -0.236 175 HG SER 25 HG SER 25 7.866 -1.713 -1.011 176 H ARG 26 H ARG 26 5.426 -4.209 -1.973 177 HA ARG 26 HA ARG 26 3.580 -5.182 0.051 178 HB2 ARG 26 HB3 ARG 26 3.563 -6.071 -2.253 179 HB3 ARG 26 HB2 ARG 26 5.212 -6.617 -1.970 180 HG2 ARG 26 HG3 ARG 26 4.525 -8.251 -0.422 181 HG3 ARG 26 HG2 ARG 26 2.897 -7.568 -0.315 182 HD2 ARG 26 HD3 ARG 26 4.102 -8.806 -2.781 183 HD3 ARG 26 HD2 ARG 26 2.960 -9.593 -1.696 184 HE ARG 26 HE ARG 26 1.400 -7.759 -2.255 185 HH11 ARG 26 HH11 ARG 26 3.994 -8.476 -4.566 186 HH12 ARG 26 HH12 ARG 26 3.079 -8.067 -5.943 187 HH21 ARG 26 HH21 ARG 26 0.125 -7.181 -4.206 188 HH22 ARG 26 HH22 ARG 26 0.846 -7.305 -5.727 189 H LYS 27 H LYS 27 6.938 -5.509 -0.917 190 HA LYS 27 HA LYS 27 7.660 -7.026 1.369 191 HB2 LYS 27 HB3 LYS 27 9.970 -6.651 0.663 192 HB3 LYS 27 HB2 LYS 27 8.964 -7.122 -0.698 193 HG2 LYS 27 HG3 LYS 27 8.864 -4.814 -1.460 194 HG3 LYS 27 HG2 LYS 27 9.786 -4.294 -0.060 195 HD2 LYS 27 HD3 LYS 27 11.243 -4.418 -1.965 196 HD3 LYS 27 HD2 LYS 27 11.667 -5.697 -0.831 197 HE2 LYS 27 HE3 LYS 27 10.458 -7.320 -2.166 198 HE3 LYS 27 HE2 LYS 27 9.947 -6.054 -3.283 199 HZ1 LYS 27 HZ1 LYS 27 12.733 -6.901 -2.765 200 HZ2 LYS 27 HZ2 LYS 27 12.255 -5.684 -3.845 201 HZ3 LYS 27 HZ3 LYS 27 11.808 -7.291 -4.125 202 H THR 28 H THR 28 7.362 -3.661 0.686 203 HA THR 28 HA THR 28 8.746 -3.162 3.207 204 HB THR 28 HB THR 28 9.051 -0.742 2.286 205 HG1 THR 28 HG1 THR 28 9.357 -0.874 -0.002 206 HG21 THR 28 HG21 THR 28 11.195 -1.458 1.289 207 HG22 THR 28 HG22 THR 28 10.640 -3.133 1.313 208 HG23 THR 28 HG23 THR 28 10.875 -2.258 2.823 209 H ARG 29 H ARG 29 5.626 -2.981 2.054 210 HA ARG 29 HA ARG 29 3.724 -2.420 3.015 211 HB2 ARG 29 HB3 ARG 29 4.949 -3.424 4.966 212 HB3 ARG 29 HB2 ARG 29 5.326 -1.795 5.487 213 HG2 ARG 29 HG3 ARG 29 2.970 -1.325 5.785 214 HG3 ARG 29 HG2 ARG 29 2.562 -2.938 5.188 215 HD2 ARG 29 HD3 ARG 29 2.513 -3.033 7.559 216 HD3 ARG 29 HD2 ARG 29 3.961 -3.870 6.971 217 HE ARG 29 HE ARG 29 4.258 -1.092 7.794 218 HH11 ARG 29 HH11 ARG 29 4.952 -4.499 8.494 219 HH12 ARG 29 HH12 ARG 29 5.899 -4.163 9.862 220 HH21 ARG 29 HH21 ARG 29 5.577 -0.644 9.655 221 HH22 ARG 29 HH22 ARG 29 6.264 -1.924 10.544 222 H TRP 30 H TRP 30 5.685 -0.120 2.012 223 HA TRP 30 HA TRP 30 3.939 2.087 2.991 224 HB2 TRP 30 HB3 TRP 30 5.667 3.663 2.332 225 HB3 TRP 30 HB2 TRP 30 6.231 2.631 3.615 226 HD1 TRP 30 HD1 TRP 30 6.482 2.693 -0.291 227 HE1 TRP 30 HE1 TRP 30 8.899 2.113 -0.966 228 HE3 TRP 30 HE3 TRP 30 8.467 1.925 4.353 229 HZ2 TRP 30 HZ2 TRP 30 11.327 1.449 0.301 230 HZ3 TRP 30 HZ3 TRP 30 10.846 1.328 4.530 231 HH2 TRP 30 HH2 TRP 30 12.242 1.101 2.544 232 H CYS 31 H CYS 31 3.794 3.825 1.499 233 HA CYS 31 HA CYS 31 2.843 2.662 -0.905 234 HB2 CYS 31 HB3 CYS 31 2.351 5.120 0.647 235 HB3 CYS 31 HB2 CYS 31 1.929 5.102 -1.064 236 H LYS 32 H LYS 32 3.668 3.292 -2.899 237 HA LYS 32 HA LYS 32 5.696 5.365 -2.885 238 HB2 LYS 32 HB3 LYS 32 7.174 3.955 -4.312 239 HB3 LYS 32 HB2 LYS 32 7.001 3.389 -2.659 240 HG2 LYS 32 HG3 LYS 32 5.301 1.792 -3.467 241 HG3 LYS 32 HG2 LYS 32 5.712 2.249 -5.124 242 HD2 LYS 32 HD3 LYS 32 8.057 1.607 -4.694 243 HD3 LYS 32 HD2 LYS 32 7.604 1.108 -3.065 244 HE2 LYS 32 HE3 LYS 32 5.984 -0.487 -4.113 245 HE3 LYS 32 HE2 LYS 32 6.705 -0.094 -5.672 246 HZ1 LYS 32 HZ1 LYS 32 8.861 -0.843 -4.754 247 HZ2 LYS 32 HZ2 LYS 32 7.719 -2.077 -4.765 248 HZ3 LYS 32 HZ3 LYS 32 8.083 -1.297 -3.336 249 H TRP 33 H TRP 33 5.860 6.546 -4.654 250 HA TRP 33 HA TRP 33 3.898 6.116 -6.699 251 HB2 TRP 33 HB3 TRP 33 4.049 8.567 -7.015 252 HB3 TRP 33 HB2 TRP 33 3.515 8.112 -5.401 253 HD1 TRP 33 HD1 TRP 33 6.275 7.917 -3.839 254 HE1 TRP 33 HE1 TRP 33 7.711 10.002 -3.503 255 HE3 TRP 33 HE3 TRP 33 4.395 10.900 -7.550 256 HZ2 TRP 33 HZ2 TRP 33 8.009 12.535 -4.549 257 HZ3 TRP 33 HZ3 TRP 33 5.315 13.176 -7.779 258 HH2 TRP 33 HH2 TRP 33 7.086 13.969 -6.302 259 H GLN 34 H GLN 34 6.799 7.979 -6.690 260 HA GLN 34 HA GLN 34 7.587 6.641 -9.187 261 HB2 GLN 34 HB3 GLN 34 9.010 8.557 -9.651 262 HB3 GLN 34 HB2 GLN 34 7.380 9.087 -9.243 263 HG2 GLN 34 HG3 GLN 34 8.061 9.810 -7.097 264 HG3 GLN 34 HG2 GLN 34 9.654 9.079 -7.294 265 HE21 GLN 34 HE21 GLN 34 11.135 10.062 -8.619 266 HE22 GLN 34 HE22 GLN 34 10.959 11.689 -9.166 267 H ILE 35 H ILE 35 8.441 6.903 -5.915 268 HA ILE 35 HA ILE 35 11.213 6.350 -6.287 269 HB ILE 35 HB ILE 35 11.294 6.072 -3.778 270 HG12 ILE 35 HG12 ILE 35 8.431 7.076 -3.904 271 HG13 ILE 35 HG11 ILE 35 8.884 5.428 -3.479 272 HG21 ILE 35 HG21 ILE 35 10.184 8.646 -4.878 273 HG22 ILE 35 HG22 ILE 35 11.878 8.157 -4.843 274 HG23 ILE 35 HG23 ILE 35 11.019 8.473 -3.335 275 HD11 ILE 35 HD11 ILE 35 8.387 6.683 -1.495 276 HD12 ILE 35 HD12 ILE 35 9.533 7.941 -1.956 277 HD13 ILE 35 HD13 ILE 35 10.116 6.332 -1.530 278 HN1 NH2 36 HN1 NH2 36 11.412 4.535 -7.360 279 HN2 NH2 36 HN2 NH2 36 11.001 2.965 -6.755 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -9.944 9.693 -1.593 2 H2 GLY 1 H2 GLY 1 -11.128 9.851 -0.384 3 H3 GLY 1 H3 GLY 1 -10.594 8.319 -0.877 4 HA2 GLY 1 HA2 GLY 1 -8.895 10.314 0.434 5 HA3 GLY 1 HA3 GLY 1 -9.644 8.932 1.234 6 H CYS 2 H CYS 2 -6.956 9.193 1.288 7 HA CYS 2 HA CYS 2 -6.094 6.969 -0.399 8 HB2 CYS 2 HB3 CYS 2 -4.536 9.524 0.034 9 HB3 CYS 2 HB2 CYS 2 -3.957 8.078 -0.744 10 H LEU 3 H LEU 3 -3.747 6.360 0.454 11 HA LEU 3 HA LEU 3 -3.750 6.540 3.337 12 HB2 LEU 3 HB3 LEU 3 -2.217 4.713 1.467 13 HB3 LEU 3 HB2 LEU 3 -2.172 4.663 3.209 14 HG LEU 3 HG LEU 3 -4.513 3.947 1.452 15 HD11 LEU 3 HD11 LEU 3 -4.187 1.704 2.368 16 HD12 LEU 3 HD12 LEU 3 -2.766 2.275 3.240 17 HD13 LEU 3 HD13 LEU 3 -2.775 2.269 1.478 18 HD21 LEU 3 HD21 LEU 3 -4.321 3.953 4.469 19 HD22 LEU 3 HD22 LEU 3 -5.644 3.263 3.533 20 HD23 LEU 3 HD23 LEU 3 -5.344 4.999 3.482 21 H GLY 4 H GLY 4 -1.415 6.614 4.042 22 HA2 GLY 4 HA3 GLY 4 -0.205 8.925 2.716 23 HA3 GLY 4 HA2 GLY 4 0.288 8.279 4.282 24 H ILE 5 H ILE 5 1.905 9.049 2.075 25 HA ILE 5 HA ILE 5 2.690 6.786 0.687 26 HB ILE 5 HB ILE 5 3.184 8.865 -0.351 27 HG12 ILE 5 HG13 ILE 5 5.670 7.689 0.751 28 HG13 ILE 5 HG12 ILE 5 4.802 7.147 -0.686 29 HG21 ILE 5 HG21 ILE 5 4.672 10.567 0.597 30 HG22 ILE 5 HG22 ILE 5 4.725 9.664 2.114 31 HG23 ILE 5 HG23 ILE 5 3.202 10.346 1.537 32 HD11 ILE 5 HD11 ILE 5 6.817 8.421 -1.316 33 HD12 ILE 5 HD12 ILE 5 6.252 9.788 -0.358 34 HD13 ILE 5 HD13 ILE 5 5.365 9.298 -1.798 35 H TRP 6 H TRP 6 3.761 8.111 3.617 36 HA TRP 6 HA TRP 6 5.733 6.044 3.722 37 HB2 TRP 6 HB3 TRP 6 5.267 8.403 5.417 38 HB3 TRP 6 HB2 TRP 6 6.555 7.231 5.745 39 HD1 TRP 6 HD1 TRP 6 6.091 10.414 4.114 40 HE1 TRP 6 HE1 TRP 6 7.928 10.896 2.337 41 HE3 TRP 6 HE3 TRP 6 8.034 5.721 3.657 42 HZ2 TRP 6 HZ2 TRP 6 9.900 9.460 0.938 43 HZ3 TRP 6 HZ3 TRP 6 9.873 5.349 2.081 44 HH2 TRP 6 HH2 TRP 6 10.788 7.188 0.749 45 H LYS 7 H LYS 7 2.779 5.755 4.108 46 HA LYS 7 HA LYS 7 2.728 4.941 6.889 47 HB2 LYS 7 HB3 LYS 7 0.550 5.683 4.987 48 HB3 LYS 7 HB2 LYS 7 0.279 4.948 6.554 49 HG2 LYS 7 HG3 LYS 7 1.480 6.884 7.588 50 HG3 LYS 7 HG2 LYS 7 1.571 7.618 5.989 51 HD2 LYS 7 HD3 LYS 7 -0.933 7.525 5.896 52 HD3 LYS 7 HD2 LYS 7 -0.912 6.971 7.569 53 HE2 LYS 7 HE3 LYS 7 0.185 9.584 6.547 54 HE3 LYS 7 HE2 LYS 7 -1.308 9.375 7.452 55 HZ1 LYS 7 HZ1 LYS 7 0.506 10.127 8.868 56 HZ2 LYS 7 HZ2 LYS 7 1.414 8.764 8.486 57 HZ3 LYS 7 HZ3 LYS 7 -0.011 8.604 9.347 58 H ALA 8 H ALA 8 1.589 3.008 7.389 59 HA ALA 8 HA ALA 8 2.481 0.884 5.721 60 HB1 ALA 8 HB1 ALA 8 0.904 0.766 8.282 61 HB2 ALA 8 HB2 ALA 8 2.663 0.791 8.163 62 HB3 ALA 8 HB3 ALA 8 1.754 -0.571 7.507 63 H CYS 9 H CYS 9 1.440 -0.076 4.249 64 HA CYS 9 HA CYS 9 -1.494 -0.027 4.190 65 HB2 CYS 9 HB3 CYS 9 -1.105 -0.576 1.759 66 HB3 CYS 9 HB2 CYS 9 -0.793 1.069 2.235 67 H ASN 10 H ASN 10 -2.008 -2.028 2.441 68 HA ASN 10 HA ASN 10 -0.842 -4.336 3.772 69 HB2 ASN 10 HB3 ASN 10 -3.601 -3.791 2.778 70 HB3 ASN 10 HB2 ASN 10 -2.995 -5.421 2.952 71 HD21 ASN 10 HD21 ASN 10 -5.224 -4.415 4.291 72 HD22 ASN 10 HD22 ASN 10 -4.885 -4.335 5.976 73 HA PRO 11 HA PRO 11 0.721 -5.132 -0.435 74 HB2 PRO 11 HB3 PRO 11 1.175 -7.700 1.026 75 HB3 PRO 11 HB2 PRO 11 2.256 -6.833 -0.065 76 HG2 PRO 11 HG3 PRO 11 2.664 -6.708 2.545 77 HG3 PRO 11 HG2 PRO 11 2.817 -5.239 1.563 78 HD2 PRO 11 HD3 PRO 11 0.615 -6.057 3.405 79 HD3 PRO 11 HD2 PRO 11 1.272 -4.448 3.065 80 H SER 12 H SER 12 -1.250 -7.277 1.539 81 HA SER 12 HA SER 12 -2.229 -8.889 -0.599 82 HB2 SER 12 HB3 SER 12 -2.093 -9.653 1.780 83 HB3 SER 12 HB2 SER 12 -3.409 -8.538 2.161 84 HG SER 12 HG SER 12 -3.883 -10.281 0.061 85 H ASN 13 H ASN 13 -3.114 -5.760 0.495 86 HA ASN 13 HA ASN 13 -5.434 -5.832 -1.186 87 HB2 ASN 13 HB3 ASN 13 -6.409 -6.127 1.054 88 HB3 ASN 13 HB2 ASN 13 -5.481 -4.764 1.661 89 HD21 ASN 13 HD21 ASN 13 -8.183 -5.710 -0.347 90 HD22 ASN 13 HD22 ASN 13 -8.943 -4.161 -0.364 91 H ASP 14 H ASP 14 -3.908 -4.962 -2.472 92 HA ASP 14 HA ASP 14 -2.547 -2.614 -1.656 93 HB2 ASP 14 HB3 ASP 14 -1.292 -4.185 -2.875 94 HB3 ASP 14 HB2 ASP 14 -2.518 -4.260 -4.140 95 H GLN 15 H GLN 15 -3.593 -0.818 -1.807 96 HA GLN 15 HA GLN 15 -4.951 -0.135 -4.270 97 HB2 GLN 15 HB3 GLN 15 -6.711 -0.835 -2.742 98 HB3 GLN 15 HB2 GLN 15 -6.110 0.279 -1.521 99 HG2 GLN 15 HG3 GLN 15 -8.024 1.181 -2.596 100 HG3 GLN 15 HG2 GLN 15 -6.597 2.148 -2.987 101 HE21 GLN 15 HE21 GLN 15 -5.780 2.099 -5.086 102 HE22 GLN 15 HE22 GLN 15 -6.665 1.470 -6.426 103 H CYS 16 H CYS 16 -4.330 1.261 -1.054 104 HA CYS 16 HA CYS 16 -3.503 3.272 -0.379 105 HB2 CYS 16 HB3 CYS 16 -1.480 2.061 -1.242 106 HB3 CYS 16 HB2 CYS 16 -1.700 2.891 -2.779 107 H CYS 17 H CYS 17 -2.325 5.262 -2.231 108 HA CYS 17 HA CYS 17 -4.808 6.629 -2.698 109 HB2 CYS 17 HB3 CYS 17 -2.540 7.690 -1.957 110 HB3 CYS 17 HB2 CYS 17 -2.182 7.490 -3.665 111 H LYS 18 H LYS 18 -5.841 5.861 -4.310 112 HA LYS 18 HA LYS 18 -4.591 5.145 -6.829 113 HB2 LYS 18 HB3 LYS 18 -6.990 4.763 -7.612 114 HB3 LYS 18 HB2 LYS 18 -6.469 3.762 -6.266 115 HG2 LYS 18 HG3 LYS 18 -7.632 5.224 -4.718 116 HG3 LYS 18 HG2 LYS 18 -8.165 6.249 -6.056 117 HD2 LYS 18 HD3 LYS 18 -9.452 4.380 -6.949 118 HD3 LYS 18 HD2 LYS 18 -8.850 3.331 -5.660 119 HE2 LYS 18 HE3 LYS 18 -9.914 4.773 -3.986 120 HE3 LYS 18 HE2 LYS 18 -10.498 5.828 -5.268 121 HZ1 LYS 18 HZ1 LYS 18 -11.299 2.979 -4.897 122 HZ2 LYS 18 HZ2 LYS 18 -11.828 4.031 -6.111 123 HZ3 LYS 18 HZ3 LYS 18 -12.213 4.346 -4.525 124 H SER 19 H SER 19 -5.954 7.843 -5.343 125 HA SER 19 HA SER 19 -6.666 9.369 -7.615 126 HB2 SER 19 HB3 SER 19 -5.900 10.329 -4.858 127 HB3 SER 19 HB2 SER 19 -6.938 11.149 -6.027 128 HG SER 19 HG SER 19 -8.310 9.245 -5.872 129 H SER 20 H SER 20 -3.653 8.929 -5.773 130 HA SER 20 HA SER 20 -2.385 10.934 -7.506 131 HB2 SER 20 HB3 SER 20 -2.422 11.391 -5.035 132 HB3 SER 20 HB2 SER 20 -1.455 9.912 -4.872 133 HG SER 20 HG SER 20 0.070 10.920 -6.309 134 H LYS 21 H LYS 21 -2.853 7.798 -7.301 135 HA LYS 21 HA LYS 21 -1.987 6.026 -8.255 136 HB2 LYS 21 HB3 LYS 21 0.060 7.898 -9.337 137 HB3 LYS 21 HB2 LYS 21 -0.281 6.289 -9.969 138 HG2 LYS 21 HG3 LYS 21 -2.271 8.515 -9.809 139 HG3 LYS 21 HG2 LYS 21 -1.327 8.208 -11.272 140 HD2 LYS 21 HD3 LYS 21 -3.233 6.237 -9.957 141 HD3 LYS 21 HD2 LYS 21 -3.627 7.224 -11.359 142 HE2 LYS 21 HE3 LYS 21 -1.454 5.120 -11.227 143 HE3 LYS 21 HE2 LYS 21 -3.014 4.956 -12.022 144 HZ1 LYS 21 HZ1 LYS 21 -2.391 6.800 -13.486 145 HZ2 LYS 21 HZ2 LYS 21 -1.349 5.492 -13.635 146 HZ3 LYS 21 HZ3 LYS 21 -0.856 6.854 -12.783 147 H LEU 22 H LEU 22 -1.357 5.915 -5.744 148 HA LEU 22 HA LEU 22 1.440 5.337 -5.642 149 HB2 LEU 22 HB3 LEU 22 -0.523 6.224 -3.650 150 HB3 LEU 22 HB2 LEU 22 0.870 5.305 -3.144 151 HG LEU 22 HG LEU 22 2.174 7.175 -4.411 152 HD11 LEU 22 HD11 LEU 22 0.281 8.249 -5.401 153 HD12 LEU 22 HD12 LEU 22 1.182 9.337 -4.346 154 HD13 LEU 22 HD13 LEU 22 -0.341 8.634 -3.791 155 HD21 LEU 22 HD21 LEU 22 0.888 7.574 -1.724 156 HD22 LEU 22 HD22 LEU 22 2.208 8.551 -2.345 157 HD23 LEU 22 HD23 LEU 22 2.453 6.825 -2.066 158 H VAL 23 H VAL 23 1.908 3.495 -5.157 159 HA VAL 23 HA VAL 23 -0.179 1.430 -4.846 160 HB VAL 23 HB VAL 23 1.415 -0.213 -5.728 161 HG11 VAL 23 HG11 VAL 23 -0.049 0.874 -7.320 162 HG12 VAL 23 HG12 VAL 23 1.517 0.557 -8.064 163 HG13 VAL 23 HG13 VAL 23 1.110 2.186 -7.524 164 HG21 VAL 23 HG21 VAL 23 3.290 2.126 -6.102 165 HG22 VAL 23 HG22 VAL 23 3.559 0.503 -6.732 166 HG23 VAL 23 HG23 VAL 23 3.512 0.776 -4.990 167 H CYS 24 H CYS 24 0.568 -0.531 -3.536 168 HA CYS 24 HA CYS 24 1.865 0.500 -1.157 169 HB2 CYS 24 HB3 CYS 24 -0.327 -0.574 -0.892 170 HB3 CYS 24 HB2 CYS 24 0.290 -2.030 -1.668 171 H SER 25 H SER 25 3.802 -0.287 -0.527 172 HA SER 25 HA SER 25 5.122 -1.928 -2.394 173 HB2 SER 25 HB3 SER 25 6.205 0.073 -1.387 174 HB3 SER 25 HB2 SER 25 6.187 -0.753 0.168 175 HG SER 25 HG SER 25 8.083 -1.280 -0.530 176 H ARG 26 H ARG 26 5.929 -3.922 -1.905 177 HA ARG 26 HA ARG 26 4.283 -5.439 -0.047 178 HB2 ARG 26 HB3 ARG 26 4.483 -6.120 -2.383 179 HB3 ARG 26 HB2 ARG 26 6.230 -6.194 -2.170 180 HG2 ARG 26 HG3 ARG 26 6.013 -8.072 -0.668 181 HG3 ARG 26 HG2 ARG 26 4.252 -7.975 -0.753 182 HD2 ARG 26 HD3 ARG 26 5.205 -9.746 -2.209 183 HD3 ARG 26 HD2 ARG 26 4.279 -8.543 -3.096 184 HE ARG 26 HE ARG 26 6.498 -7.506 -3.621 185 HH11 ARG 26 HH11 ARG 26 6.241 -11.010 -3.052 186 HH12 ARG 26 HH12 ARG 26 7.582 -11.393 -4.014 187 HH21 ARG 26 HH21 ARG 26 8.328 -8.064 -4.964 188 HH22 ARG 26 HH22 ARG 26 8.799 -9.691 -5.128 189 H LYS 27 H LYS 27 7.640 -4.898 -0.920 190 HA LYS 27 HA LYS 27 8.657 -6.474 1.232 191 HB2 LYS 27 HB3 LYS 27 10.006 -4.569 -0.674 192 HB3 LYS 27 HB2 LYS 27 10.850 -5.585 0.482 193 HG2 LYS 27 HG3 LYS 27 9.118 -6.587 -1.776 194 HG3 LYS 27 HG2 LYS 27 10.884 -6.527 -1.787 195 HD2 LYS 27 HD3 LYS 27 10.903 -8.008 0.188 196 HD3 LYS 27 HD2 LYS 27 9.148 -8.117 0.095 197 HE2 LYS 27 HE3 LYS 27 9.301 -9.134 -2.101 198 HE3 LYS 27 HE2 LYS 27 11.056 -8.982 -2.070 199 HZ1 LYS 27 HZ1 LYS 27 10.344 -11.206 -1.460 200 HZ2 LYS 27 HZ2 LYS 27 9.419 -10.588 -0.198 201 HZ3 LYS 27 HZ3 LYS 27 11.102 -10.455 -0.150 202 H THR 28 H THR 28 7.764 -3.200 0.795 203 HA THR 28 HA THR 28 9.049 -2.710 3.379 204 HB THR 28 HB THR 28 9.159 -0.193 2.646 205 HG1 THR 28 HG1 THR 28 9.897 -0.601 0.265 206 HG21 THR 28 HG21 THR 28 11.421 -0.606 1.816 207 HG22 THR 28 HG22 THR 28 11.041 -2.318 1.621 208 HG23 THR 28 HG23 THR 28 11.071 -1.596 3.231 209 H ARG 29 H ARG 29 6.026 -2.893 2.163 210 HA ARG 29 HA ARG 29 4.033 -2.517 2.938 211 HB2 ARG 29 HB3 ARG 29 5.118 -3.630 4.828 212 HB3 ARG 29 HB2 ARG 29 5.480 -2.069 5.525 213 HG2 ARG 29 HG3 ARG 29 3.195 -1.650 5.958 214 HG3 ARG 29 HG2 ARG 29 2.698 -3.045 4.991 215 HD2 ARG 29 HD3 ARG 29 4.510 -3.219 7.307 216 HD3 ARG 29 HD2 ARG 29 2.743 -3.406 7.502 217 HE ARG 29 HE ARG 29 4.358 -5.107 5.705 218 HH11 ARG 29 HH11 ARG 29 2.093 -4.881 8.432 219 HH12 ARG 29 HH12 ARG 29 1.829 -6.555 8.508 220 HH21 ARG 29 HH21 ARG 29 3.977 -7.414 5.851 221 HH22 ARG 29 HH22 ARG 29 2.905 -8.013 7.014 222 H TRP 30 H TRP 30 5.892 0.088 2.461 223 HA TRP 30 HA TRP 30 3.690 1.884 3.247 224 HB2 TRP 30 HB3 TRP 30 5.205 3.781 2.944 225 HB3 TRP 30 HB2 TRP 30 5.746 2.738 4.227 226 HD1 TRP 30 HD1 TRP 30 6.561 3.476 0.499 227 HE1 TRP 30 HE1 TRP 30 9.120 3.252 0.166 228 HE3 TRP 30 HE3 TRP 30 7.842 1.901 5.177 229 HZ2 TRP 30 HZ2 TRP 30 11.367 2.497 1.705 230 HZ3 TRP 30 HZ3 TRP 30 10.205 1.459 5.676 231 HH2 TRP 30 HH2 TRP 30 11.933 1.754 3.964 232 H CYS 31 H CYS 31 3.670 3.802 1.724 233 HA CYS 31 HA CYS 31 2.903 2.524 -0.688 234 HB2 CYS 31 HB3 CYS 31 2.227 4.961 0.776 235 HB3 CYS 31 HB2 CYS 31 1.937 4.989 -0.974 236 H LYS 32 H LYS 32 3.631 3.127 -2.695 237 HA LYS 32 HA LYS 32 6.147 4.660 -2.737 238 HB2 LYS 32 HB3 LYS 32 5.015 2.728 -4.754 239 HB3 LYS 32 HB2 LYS 32 6.505 3.638 -4.947 240 HG2 LYS 32 HG3 LYS 32 5.982 1.616 -2.795 241 HG3 LYS 32 HG2 LYS 32 6.871 1.352 -4.310 242 HD2 LYS 32 HD3 LYS 32 8.449 3.139 -3.629 243 HD3 LYS 32 HD2 LYS 32 7.623 3.227 -2.072 244 HE2 LYS 32 HE3 LYS 32 9.631 1.843 -1.928 245 HE3 LYS 32 HE2 LYS 32 8.180 0.894 -1.627 246 HZ1 LYS 32 HZ1 LYS 32 9.631 1.011 -4.215 247 HZ2 LYS 32 HZ2 LYS 32 8.303 0.043 -3.896 248 HZ3 LYS 32 HZ3 LYS 32 9.766 -0.239 -3.106 249 H TRP 33 H TRP 33 6.442 6.302 -4.138 250 HA TRP 33 HA TRP 33 4.044 7.754 -4.763 251 HB2 TRP 33 HB3 TRP 33 6.202 8.775 -3.841 252 HB3 TRP 33 HB2 TRP 33 6.879 8.564 -5.450 253 HD1 TRP 33 HD1 TRP 33 6.487 10.510 -7.096 254 HE1 TRP 33 HE1 TRP 33 5.014 12.633 -7.116 255 HE3 TRP 33 HE3 TRP 33 3.744 9.628 -2.905 256 HZ2 TRP 33 HZ2 TRP 33 2.956 13.759 -5.559 257 HZ3 TRP 33 HZ3 TRP 33 2.039 11.277 -2.229 258 HH2 TRP 33 HH2 TRP 33 1.662 13.295 -3.534 259 H GLN 34 H GLN 34 3.730 8.734 -6.946 260 HA GLN 34 HA GLN 34 3.674 6.647 -8.862 261 HB2 GLN 34 HB3 GLN 34 2.566 8.261 -10.332 262 HB3 GLN 34 HB2 GLN 34 1.881 8.243 -8.713 263 HG2 GLN 34 HG3 GLN 34 3.083 10.289 -8.165 264 HG3 GLN 34 HG2 GLN 34 3.787 10.314 -9.778 265 HE21 GLN 34 HE21 GLN 34 1.261 9.399 -11.041 266 HE22 GLN 34 HE22 GLN 34 0.214 10.751 -11.001 267 H ILE 35 H ILE 35 5.885 9.193 -8.274 268 HA ILE 35 HA ILE 35 7.061 8.938 -10.926 269 HB ILE 35 HB ILE 35 7.954 10.752 -8.653 270 HG12 ILE 35 HG12 ILE 35 5.665 11.351 -9.292 271 HG13 ILE 35 HG11 ILE 35 6.792 12.585 -9.829 272 HG21 ILE 35 HG21 ILE 35 9.688 10.353 -10.306 273 HG22 ILE 35 HG22 ILE 35 9.113 12.016 -10.411 274 HG23 ILE 35 HG23 ILE 35 8.589 10.826 -11.602 275 HD11 ILE 35 HD11 ILE 35 5.549 10.453 -11.559 276 HD12 ILE 35 HD12 ILE 35 6.680 11.692 -12.105 277 HD13 ILE 35 HD13 ILE 35 5.088 12.153 -11.500 278 HN1 NH2 36 HN1 NH2 36 8.008 6.973 -10.906 279 HN2 NH2 36 HN2 NH2 36 9.256 6.489 -9.810 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -10.269 5.978 -2.071 2 H2 GLY 1 H2 GLY 1 -9.925 7.616 -2.220 3 H3 GLY 1 H3 GLY 1 -11.372 7.120 -1.485 4 HA2 GLY 1 HA2 GLY 1 -9.746 7.821 0.162 5 HA3 GLY 1 HA3 GLY 1 -10.124 6.102 0.297 6 H CYS 2 H CYS 2 -7.662 8.031 0.670 7 HA CYS 2 HA CYS 2 -5.801 6.332 -0.807 8 HB2 CYS 2 HB3 CYS 2 -5.411 9.153 0.183 9 HB3 CYS 2 HB2 CYS 2 -4.201 8.179 -0.598 10 H LEU 3 H LEU 3 -3.598 6.381 0.295 11 HA LEU 3 HA LEU 3 -3.787 6.180 3.166 12 HB2 LEU 3 HB3 LEU 3 -2.254 4.421 1.241 13 HB3 LEU 3 HB2 LEU 3 -2.179 4.338 2.981 14 HG LEU 3 HG LEU 3 -4.577 3.645 1.269 15 HD11 LEU 3 HD11 LEU 3 -4.199 1.372 2.043 16 HD12 LEU 3 HD12 LEU 3 -2.762 1.903 2.913 17 HD13 LEU 3 HD13 LEU 3 -2.805 1.982 1.153 18 HD21 LEU 3 HD21 LEU 3 -5.607 2.862 3.353 19 HD22 LEU 3 HD22 LEU 3 -5.298 4.596 3.391 20 HD23 LEU 3 HD23 LEU 3 -4.235 3.493 4.267 21 H GLY 4 H GLY 4 -1.555 6.513 4.010 22 HA2 GLY 4 HA3 GLY 4 -0.324 8.768 2.611 23 HA3 GLY 4 HA2 GLY 4 0.144 8.158 4.201 24 H ILE 5 H ILE 5 1.864 8.946 2.044 25 HA ILE 5 HA ILE 5 2.633 6.683 0.682 26 HB ILE 5 HB ILE 5 3.157 8.824 -0.303 27 HG12 ILE 5 HG13 ILE 5 5.542 7.314 0.593 28 HG13 ILE 5 HG12 ILE 5 4.540 6.990 -0.821 29 HG21 ILE 5 HG21 ILE 5 5.035 9.324 2.004 30 HG22 ILE 5 HG22 ILE 5 3.462 10.080 1.794 31 HG23 ILE 5 HG23 ILE 5 4.740 10.380 0.615 32 HD11 ILE 5 HD11 ILE 5 6.653 8.031 -1.506 33 HD12 ILE 5 HD12 ILE 5 6.359 9.367 -0.400 34 HD13 ILE 5 HD13 ILE 5 5.318 9.149 -1.805 35 H TRP 6 H TRP 6 3.708 7.936 3.648 36 HA TRP 6 HA TRP 6 5.652 5.854 3.669 37 HB2 TRP 6 HB3 TRP 6 5.218 8.092 5.546 38 HB3 TRP 6 HB2 TRP 6 6.514 6.899 5.748 39 HD1 TRP 6 HD1 TRP 6 6.103 10.185 4.501 40 HE1 TRP 6 HE1 TRP 6 7.833 10.826 2.659 41 HE3 TRP 6 HE3 TRP 6 7.773 5.528 3.348 42 HZ2 TRP 6 HZ2 TRP 6 9.647 9.471 0.949 43 HZ3 TRP 6 HZ3 TRP 6 9.467 5.264 1.608 44 HH2 TRP 6 HH2 TRP 6 10.389 7.198 0.434 45 H LYS 7 H LYS 7 2.655 5.684 4.093 46 HA LYS 7 HA LYS 7 2.508 4.784 6.835 47 HB2 LYS 7 HB3 LYS 7 0.486 5.320 4.726 48 HB3 LYS 7 HB2 LYS 7 0.084 4.499 6.206 49 HG2 LYS 7 HG3 LYS 7 1.254 7.283 6.031 50 HG3 LYS 7 HG2 LYS 7 -0.456 6.932 6.264 51 HD2 LYS 7 HD3 LYS 7 1.795 6.213 8.166 52 HD3 LYS 7 HD2 LYS 7 0.624 7.505 8.378 53 HE2 LYS 7 HE3 LYS 7 -0.023 4.548 8.272 54 HE3 LYS 7 HE2 LYS 7 0.053 5.538 9.722 55 HZ1 LYS 7 HZ1 LYS 7 -1.803 6.830 8.925 56 HZ2 LYS 7 HZ2 LYS 7 -2.219 5.204 8.927 57 HZ3 LYS 7 HZ3 LYS 7 -1.851 5.976 7.481 58 H ALA 8 H ALA 8 1.936 2.805 7.387 59 HA ALA 8 HA ALA 8 2.772 0.706 5.675 60 HB1 ALA 8 HB1 ALA 8 2.206 -0.757 7.551 61 HB2 ALA 8 HB2 ALA 8 1.401 0.590 8.360 62 HB3 ALA 8 HB3 ALA 8 3.142 0.637 8.095 63 H CYS 9 H CYS 9 1.568 0.173 4.052 64 HA CYS 9 HA CYS 9 -1.316 0.121 4.256 65 HB2 CYS 9 HB3 CYS 9 -1.017 -0.513 1.794 66 HB3 CYS 9 HB2 CYS 9 -0.708 1.140 2.265 67 H ASN 10 H ASN 10 -2.060 -1.840 2.624 68 HA ASN 10 HA ASN 10 -0.916 -4.234 3.802 69 HB2 ASN 10 HB3 ASN 10 -3.691 -3.439 3.034 70 HB3 ASN 10 HB2 ASN 10 -3.231 -5.133 3.115 71 HD21 ASN 10 HD21 ASN 10 -2.874 -6.038 5.184 72 HD22 ASN 10 HD22 ASN 10 -3.320 -5.206 6.630 73 HA PRO 11 HA PRO 11 0.539 -4.412 -0.485 74 HB2 PRO 11 HB3 PRO 11 1.257 -7.117 0.540 75 HB3 PRO 11 HB2 PRO 11 2.235 -5.973 -0.383 76 HG2 PRO 11 HG3 PRO 11 2.665 -6.244 2.200 77 HG3 PRO 11 HG2 PRO 11 2.632 -4.620 1.487 78 HD2 PRO 11 HD3 PRO 11 0.543 -6.019 3.102 79 HD3 PRO 11 HD2 PRO 11 1.057 -4.319 3.140 80 H SER 12 H SER 12 -1.173 -7.030 1.112 81 HA SER 12 HA SER 12 -1.969 -8.150 -1.412 82 HB2 SER 12 HB3 SER 12 -1.355 -9.601 0.503 83 HB3 SER 12 HB2 SER 12 -2.745 -8.987 1.392 84 HG SER 12 HG SER 12 -2.904 -10.284 -1.104 85 H ASN 13 H ASN 13 -3.097 -5.649 0.421 86 HA ASN 13 HA ASN 13 -5.841 -5.868 -0.665 87 HB2 ASN 13 HB3 ASN 13 -5.018 -4.520 1.941 88 HB3 ASN 13 HB2 ASN 13 -6.638 -4.580 1.276 89 HD21 ASN 13 HD21 ASN 13 -7.825 -6.487 1.465 90 HD22 ASN 13 HD22 ASN 13 -7.345 -7.758 2.516 91 H ASP 14 H ASP 14 -3.549 -4.926 -1.846 92 HA ASP 14 HA ASP 14 -2.722 -2.370 -1.483 93 HB2 ASP 14 HB3 ASP 14 -1.562 -3.885 -2.937 94 HB3 ASP 14 HB2 ASP 14 -2.928 -3.925 -4.048 95 H GLN 15 H GLN 15 -3.813 -0.665 -1.446 96 HA GLN 15 HA GLN 15 -5.664 0.000 -3.586 97 HB2 GLN 15 HB3 GLN 15 -7.121 1.205 -1.945 98 HB3 GLN 15 HB2 GLN 15 -7.079 -0.537 -1.727 99 HG2 GLN 15 HG3 GLN 15 -5.603 -0.292 0.195 100 HG3 GLN 15 HG2 GLN 15 -5.553 1.449 -0.053 101 HE21 GLN 15 HE21 GLN 15 -8.374 1.690 -0.660 102 HE22 GLN 15 HE22 GLN 15 -9.197 1.450 0.833 103 H CYS 16 H CYS 16 -4.024 1.431 -0.777 104 HA CYS 16 HA CYS 16 -2.933 3.363 -0.434 105 HB2 CYS 16 HB3 CYS 16 -1.359 1.999 -1.856 106 HB3 CYS 16 HB2 CYS 16 -1.921 2.913 -3.252 107 H CYS 17 H CYS 17 -2.225 5.261 -2.657 108 HA CYS 17 HA CYS 17 -4.833 6.583 -2.601 109 HB2 CYS 17 HB3 CYS 17 -2.688 7.806 -1.923 110 HB3 CYS 17 HB2 CYS 17 -2.310 7.742 -3.644 111 H LYS 18 H LYS 18 -6.082 6.370 -4.207 112 HA LYS 18 HA LYS 18 -5.108 5.543 -6.805 113 HB2 LYS 18 HB3 LYS 18 -7.922 6.169 -5.858 114 HB3 LYS 18 HB2 LYS 18 -7.524 5.633 -7.474 115 HG2 LYS 18 HG3 LYS 18 -6.974 4.043 -4.977 116 HG3 LYS 18 HG2 LYS 18 -8.382 3.826 -6.016 117 HD2 LYS 18 HD3 LYS 18 -6.869 3.338 -7.906 118 HD3 LYS 18 HD2 LYS 18 -5.490 3.480 -6.818 119 HE2 LYS 18 HE3 LYS 18 -6.351 1.614 -5.491 120 HE3 LYS 18 HE2 LYS 18 -7.736 1.483 -6.573 121 HZ1 LYS 18 HZ1 LYS 18 -6.214 0.956 -8.386 122 HZ2 LYS 18 HZ2 LYS 18 -6.010 -0.133 -7.125 123 HZ3 LYS 18 HZ3 LYS 18 -4.897 1.105 -7.354 124 H SER 19 H SER 19 -6.090 8.374 -5.193 125 HA SER 19 HA SER 19 -6.584 10.017 -7.432 126 HB2 SER 19 HB3 SER 19 -5.671 10.871 -4.690 127 HB3 SER 19 HB2 SER 19 -6.602 11.817 -5.856 128 HG SER 19 HG SER 19 -8.079 9.833 -5.647 129 H SER 20 H SER 20 -3.613 9.069 -5.788 130 HA SER 20 HA SER 20 -2.175 10.987 -7.477 131 HB2 SER 20 HB3 SER 20 -1.303 9.704 -4.909 132 HB3 SER 20 HB2 SER 20 -0.376 10.871 -5.866 133 HG SER 20 HG SER 20 -2.036 12.369 -5.536 134 H LYS 21 H LYS 21 -3.075 7.921 -7.444 135 HA LYS 21 HA LYS 21 -2.469 6.037 -8.419 136 HB2 LYS 21 HB3 LYS 21 -0.472 7.735 -9.920 137 HB3 LYS 21 HB2 LYS 21 -1.113 6.176 -10.435 138 HG2 LYS 21 HG3 LYS 21 -2.721 8.655 -10.016 139 HG3 LYS 21 HG2 LYS 21 -2.144 8.114 -11.598 140 HD2 LYS 21 HD3 LYS 21 -3.439 6.027 -11.320 141 HD3 LYS 21 HD2 LYS 21 -4.007 6.597 -9.752 142 HE2 LYS 21 HE3 LYS 21 -5.701 6.952 -11.440 143 HE3 LYS 21 HE2 LYS 21 -5.099 8.498 -10.847 144 HZ1 LYS 21 HZ1 LYS 21 -4.321 7.179 -13.388 145 HZ2 LYS 21 HZ2 LYS 21 -3.732 8.663 -12.850 146 HZ3 LYS 21 HZ3 LYS 21 -5.360 8.487 -13.230 147 H LEU 22 H LEU 22 -1.513 5.710 -6.079 148 HA LEU 22 HA LEU 22 1.325 5.444 -6.151 149 HB2 LEU 22 HB3 LEU 22 -0.651 5.743 -3.920 150 HB3 LEU 22 HB2 LEU 22 1.083 5.604 -3.755 151 HG LEU 22 HG LEU 22 -0.538 7.885 -4.818 152 HD11 LEU 22 HD11 LEU 22 1.385 7.683 -2.512 153 HD12 LEU 22 HD12 LEU 22 -0.372 7.766 -2.408 154 HD13 LEU 22 HD13 LEU 22 0.541 9.146 -3.018 155 HD21 LEU 22 HD21 LEU 22 1.285 7.837 -6.291 156 HD22 LEU 22 HD22 LEU 22 2.361 7.353 -5.011 157 HD23 LEU 22 HD23 LEU 22 1.757 9.027 -5.053 158 H VAL 23 H VAL 23 2.029 3.575 -5.338 159 HA VAL 23 HA VAL 23 0.150 1.256 -5.278 160 HB VAL 23 HB VAL 23 3.083 1.133 -5.972 161 HG11 VAL 23 HG11 VAL 23 2.199 -0.987 -5.252 162 HG12 VAL 23 HG12 VAL 23 2.577 -1.048 -6.972 163 HG13 VAL 23 HG13 VAL 23 0.903 -0.890 -6.445 164 HG21 VAL 23 HG21 VAL 23 0.790 1.269 -7.929 165 HG22 VAL 23 HG22 VAL 23 2.479 0.977 -8.350 166 HG23 VAL 23 HG23 VAL 23 1.996 2.522 -7.651 167 H CYS 24 H CYS 24 0.676 -0.448 -3.714 168 HA CYS 24 HA CYS 24 2.100 0.591 -1.401 169 HB2 CYS 24 HB3 CYS 24 -0.124 -0.323 -1.014 170 HB3 CYS 24 HB2 CYS 24 0.334 -1.841 -1.770 171 H SER 25 H SER 25 3.967 -0.248 -0.651 172 HA SER 25 HA SER 25 5.502 -1.954 -2.247 173 HB2 SER 25 HB3 SER 25 5.996 -0.788 0.483 174 HB3 SER 25 HB2 SER 25 7.188 -1.419 -0.641 175 HG SER 25 HG SER 25 5.607 0.892 -0.855 176 H ARG 26 H ARG 26 6.349 -3.987 -1.390 177 HA ARG 26 HA ARG 26 4.410 -5.304 0.368 178 HB2 ARG 26 HB3 ARG 26 4.743 -6.223 -1.895 179 HB3 ARG 26 HB2 ARG 26 6.440 -6.475 -1.489 180 HG2 ARG 26 HG3 ARG 26 5.788 -8.071 0.249 181 HG3 ARG 26 HG2 ARG 26 4.092 -7.812 -0.153 182 HD2 ARG 26 HD3 ARG 26 6.183 -8.894 -2.039 183 HD3 ARG 26 HD2 ARG 26 4.989 -9.867 -1.185 184 HE ARG 26 HE ARG 26 3.785 -7.793 -2.714 185 HH11 ARG 26 HH11 ARG 26 5.117 -11.057 -2.971 186 HH12 ARG 26 HH12 ARG 26 4.272 -11.442 -4.398 187 HH21 ARG 26 HH21 ARG 26 2.578 -8.347 -4.654 188 HH22 ARG 26 HH22 ARG 26 2.788 -9.870 -5.362 189 H LYS 27 H LYS 27 7.868 -5.345 -0.310 190 HA LYS 27 HA LYS 27 8.502 -6.780 2.062 191 HB2 LYS 27 HB3 LYS 27 9.870 -6.943 0.042 192 HB3 LYS 27 HB2 LYS 27 10.246 -5.235 0.141 193 HG2 LYS 27 HG3 LYS 27 12.116 -6.592 0.903 194 HG3 LYS 27 HG2 LYS 27 11.469 -5.609 2.215 195 HD2 LYS 27 HD3 LYS 27 10.262 -7.540 3.085 196 HD3 LYS 27 HD2 LYS 27 10.855 -8.529 1.749 197 HE2 LYS 27 HE3 LYS 27 12.159 -8.929 3.756 198 HE3 LYS 27 HE2 LYS 27 13.148 -8.171 2.512 199 HZ1 LYS 27 HZ1 LYS 27 11.927 -6.785 4.843 200 HZ2 LYS 27 HZ2 LYS 27 12.909 -6.048 3.685 201 HZ3 LYS 27 HZ3 LYS 27 13.530 -7.248 4.698 202 H THR 28 H THR 28 8.398 -3.460 1.115 203 HA THR 28 HA THR 28 9.654 -2.689 3.637 204 HB THR 28 HB THR 28 9.482 -0.350 2.538 205 HG1 THR 28 HG1 THR 28 9.286 -0.490 0.282 206 HG21 THR 28 HG21 THR 28 11.569 -1.627 2.768 207 HG22 THR 28 HG22 THR 28 11.504 -0.796 1.209 208 HG23 THR 28 HG23 THR 28 11.175 -2.530 1.306 209 H ARG 29 H ARG 29 6.656 -2.735 2.061 210 HA ARG 29 HA ARG 29 4.603 -2.116 2.489 211 HB2 ARG 29 HB3 ARG 29 4.966 -3.816 4.210 212 HB3 ARG 29 HB2 ARG 29 5.383 -2.546 5.352 213 HG2 ARG 29 HG3 ARG 29 3.181 -1.633 5.248 214 HG3 ARG 29 HG2 ARG 29 2.738 -2.734 3.944 215 HD2 ARG 29 HD3 ARG 29 1.823 -3.581 5.977 216 HD3 ARG 29 HD2 ARG 29 3.158 -4.611 5.457 217 HE ARG 29 HE ARG 29 4.240 -2.781 7.210 218 HH11 ARG 29 HH11 ARG 29 1.775 -5.303 7.351 219 HH12 ARG 29 HH12 ARG 29 2.024 -5.659 8.993 220 HH21 ARG 29 HH21 ARG 29 4.584 -3.237 9.423 221 HH22 ARG 29 HH22 ARG 29 3.693 -4.469 10.207 222 H TRP 30 H TRP 30 4.789 -0.122 1.693 223 HA TRP 30 HA TRP 30 3.504 1.840 3.098 224 HB2 TRP 30 HB3 TRP 30 5.130 3.689 2.902 225 HB3 TRP 30 HB2 TRP 30 5.597 2.556 4.132 226 HD1 TRP 30 HD1 TRP 30 6.508 3.413 0.448 227 HE1 TRP 30 HE1 TRP 30 9.044 3.126 0.154 228 HE3 TRP 30 HE3 TRP 30 7.651 1.638 5.090 229 HZ2 TRP 30 HZ2 TRP 30 11.249 2.259 1.711 230 HZ3 TRP 30 HZ3 TRP 30 9.999 1.117 5.612 231 HH2 TRP 30 HH2 TRP 30 11.753 1.425 3.948 232 H CYS 31 H CYS 31 3.637 3.836 1.633 233 HA CYS 31 HA CYS 31 2.855 2.613 -0.823 234 HB2 CYS 31 HB3 CYS 31 2.118 4.924 0.738 235 HB3 CYS 31 HB2 CYS 31 1.992 5.180 -1.020 236 H LYS 32 H LYS 32 3.532 3.376 -2.827 237 HA LYS 32 HA LYS 32 6.129 4.744 -2.770 238 HB2 LYS 32 HB3 LYS 32 4.927 3.174 -5.051 239 HB3 LYS 32 HB2 LYS 32 6.587 3.744 -4.891 240 HG2 LYS 32 HG3 LYS 32 6.872 2.263 -2.972 241 HG3 LYS 32 HG2 LYS 32 5.230 1.694 -3.217 242 HD2 LYS 32 HD3 LYS 32 6.706 0.081 -4.205 243 HD3 LYS 32 HD2 LYS 32 5.912 0.949 -5.517 244 HE2 LYS 32 HE3 LYS 32 8.271 0.657 -6.014 245 HE3 LYS 32 HE2 LYS 32 7.924 2.363 -5.769 246 HZ1 LYS 32 HZ1 LYS 32 9.976 1.642 -4.664 247 HZ2 LYS 32 HZ2 LYS 32 9.110 0.556 -3.725 248 HZ3 LYS 32 HZ3 LYS 32 8.857 2.210 -3.543 249 H TRP 33 H TRP 33 6.431 6.459 -4.032 250 HA TRP 33 HA TRP 33 4.067 7.901 -4.746 251 HB2 TRP 33 HB3 TRP 33 6.216 8.926 -3.753 252 HB3 TRP 33 HB2 TRP 33 6.863 8.803 -5.389 253 HD1 TRP 33 HD1 TRP 33 6.382 10.808 -6.937 254 HE1 TRP 33 HE1 TRP 33 4.750 12.819 -6.885 255 HE3 TRP 33 HE3 TRP 33 3.647 9.577 -2.787 256 HZ2 TRP 33 HZ2 TRP 33 2.631 13.741 -5.308 257 HZ3 TRP 33 HZ3 TRP 33 1.842 11.083 -2.078 258 HH2 TRP 33 HH2 TRP 33 1.344 13.121 -3.316 259 H GLN 34 H GLN 34 3.743 8.773 -6.937 260 HA GLN 34 HA GLN 34 3.948 6.714 -8.861 261 HB2 GLN 34 HB3 GLN 34 2.898 8.332 -10.413 262 HB3 GLN 34 HB2 GLN 34 2.040 8.182 -8.889 263 HG2 GLN 34 HG3 GLN 34 2.917 10.262 -8.110 264 HG3 GLN 34 HG2 GLN 34 3.983 10.403 -9.498 265 HE21 GLN 34 HE21 GLN 34 2.023 12.252 -8.590 266 HE22 GLN 34 HE22 GLN 34 0.890 12.454 -9.869 267 H ILE 35 H ILE 35 5.874 9.485 -8.175 268 HA ILE 35 HA ILE 35 7.341 9.274 -10.680 269 HB ILE 35 HB ILE 35 7.883 11.139 -8.339 270 HG12 ILE 35 HG12 ILE 35 6.287 11.666 -10.869 271 HG13 ILE 35 HG11 ILE 35 5.635 11.528 -9.245 272 HG21 ILE 35 HG21 ILE 35 9.139 12.457 -10.002 273 HG22 ILE 35 HG22 ILE 35 8.805 11.216 -11.212 274 HG23 ILE 35 HG23 ILE 35 9.798 10.831 -9.809 275 HD11 ILE 35 HD11 ILE 35 5.787 13.848 -9.964 276 HD12 ILE 35 HD12 ILE 35 7.531 13.671 -10.176 277 HD13 ILE 35 HD13 ILE 35 6.818 13.536 -8.569 278 HN1 NH2 36 HN1 NH2 36 8.365 7.340 -10.483 279 HN2 NH2 36 HN2 NH2 36 9.549 6.974 -9.277 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -10.846 7.066 1.737 2 H2 GLY 1 H2 GLY 1 -9.292 7.512 2.165 3 H3 GLY 1 H3 GLY 1 -9.606 5.917 1.701 4 HA2 GLY 1 HA2 GLY 1 -10.191 6.652 -0.518 5 HA3 GLY 1 HA3 GLY 1 -9.764 8.290 -0.037 6 H CYS 2 H CYS 2 -7.456 7.964 1.386 7 HA CYS 2 HA CYS 2 -5.684 6.498 -0.377 8 HB2 CYS 2 HB3 CYS 2 -5.337 9.397 0.358 9 HB3 CYS 2 HB2 CYS 2 -4.136 8.400 -0.382 10 H LEU 3 H LEU 3 -3.447 6.639 0.467 11 HA LEU 3 HA LEU 3 -3.240 6.796 3.344 12 HB2 LEU 3 HB3 LEU 3 -2.055 4.757 1.456 13 HB3 LEU 3 HB2 LEU 3 -1.602 4.946 3.130 14 HG LEU 3 HG LEU 3 -4.322 4.075 2.135 15 HD11 LEU 3 HD11 LEU 3 -2.107 2.528 3.454 16 HD12 LEU 3 HD12 LEU 3 -2.631 2.371 1.778 17 HD13 LEU 3 HD13 LEU 3 -3.714 1.909 3.091 18 HD21 LEU 3 HD21 LEU 3 -4.776 3.568 4.493 19 HD22 LEU 3 HD22 LEU 3 -4.494 5.287 4.239 20 HD23 LEU 3 HD23 LEU 3 -3.226 4.278 4.943 21 H GLY 4 H GLY 4 -0.802 6.932 3.751 22 HA2 GLY 4 HA3 GLY 4 0.263 8.980 1.921 23 HA3 GLY 4 HA2 GLY 4 0.724 8.788 3.612 24 H ILE 5 H ILE 5 2.611 9.122 1.821 25 HA ILE 5 HA ILE 5 3.453 6.771 0.590 26 HB ILE 5 HB ILE 5 4.052 8.959 -0.316 27 HG12 ILE 5 HG13 ILE 5 6.408 7.469 0.690 28 HG13 ILE 5 HG12 ILE 5 5.458 7.069 -0.747 29 HG21 ILE 5 HG21 ILE 5 4.240 10.249 1.723 30 HG22 ILE 5 HG22 ILE 5 5.721 10.398 0.779 31 HG23 ILE 5 HG23 ILE 5 5.680 9.344 2.192 32 HD11 ILE 5 HD11 ILE 5 7.574 8.181 -1.372 33 HD12 ILE 5 HD12 ILE 5 7.143 9.557 -0.357 34 HD13 ILE 5 HD13 ILE 5 6.188 9.190 -1.790 35 H TRP 6 H TRP 6 4.015 8.029 3.665 36 HA TRP 6 HA TRP 6 5.963 5.991 4.203 37 HB2 TRP 6 HB3 TRP 6 5.039 8.356 5.754 38 HB3 TRP 6 HB2 TRP 6 6.116 7.146 6.446 39 HD1 TRP 6 HD1 TRP 6 6.218 10.321 4.590 40 HE1 TRP 6 HE1 TRP 6 8.591 10.738 3.648 41 HE3 TRP 6 HE3 TRP 6 8.176 5.672 5.263 42 HZ2 TRP 6 HZ2 TRP 6 10.965 9.267 3.238 43 HZ3 TRP 6 HZ3 TRP 6 10.466 5.236 4.572 44 HH2 TRP 6 HH2 TRP 6 11.854 7.005 3.574 45 H LYS 7 H LYS 7 2.800 5.894 3.994 46 HA LYS 7 HA LYS 7 2.283 5.031 6.695 47 HB2 LYS 7 HB3 LYS 7 0.545 5.966 4.477 48 HB3 LYS 7 HB2 LYS 7 -0.117 5.075 5.833 49 HG2 LYS 7 HG3 LYS 7 0.819 6.820 7.360 50 HG3 LYS 7 HG2 LYS 7 1.373 7.708 5.941 51 HD2 LYS 7 HD3 LYS 7 -0.915 7.979 5.189 52 HD3 LYS 7 HD2 LYS 7 -1.498 6.996 6.529 53 HE2 LYS 7 HE3 LYS 7 -0.071 9.643 6.758 54 HE3 LYS 7 HE2 LYS 7 -1.804 9.406 6.924 55 HZ1 LYS 7 HZ1 LYS 7 0.286 8.280 8.731 56 HZ2 LYS 7 HZ2 LYS 7 -1.366 8.014 8.896 57 HZ3 LYS 7 HZ3 LYS 7 -0.744 9.550 9.070 58 H ALA 8 H ALA 8 0.938 3.172 7.007 59 HA ALA 8 HA ALA 8 2.100 0.997 5.562 60 HB1 ALA 8 HB1 ALA 8 1.046 -0.405 7.228 61 HB2 ALA 8 HB2 ALA 8 0.132 0.976 7.834 62 HB3 ALA 8 HB3 ALA 8 1.887 0.941 7.999 63 H CYS 9 H CYS 9 1.266 0.038 3.954 64 HA CYS 9 HA CYS 9 -1.603 0.284 3.433 65 HB2 CYS 9 HB3 CYS 9 -0.935 -0.346 1.110 66 HB3 CYS 9 HB2 CYS 9 -0.453 1.253 1.605 67 H ASN 10 H ASN 10 -1.998 -1.692 1.727 68 HA ASN 10 HA ASN 10 -1.258 -4.064 3.255 69 HB2 ASN 10 HB3 ASN 10 -3.795 -3.220 1.970 70 HB3 ASN 10 HB2 ASN 10 -3.405 -4.922 2.065 71 HD21 ASN 10 HD21 ASN 10 -5.600 -3.546 3.293 72 HD22 ASN 10 HD22 ASN 10 -5.424 -3.751 5.001 73 HA PRO 11 HA PRO 11 0.770 -5.120 -0.753 74 HB2 PRO 11 HB3 PRO 11 1.137 -7.481 1.053 75 HB3 PRO 11 HB2 PRO 11 2.280 -6.767 -0.086 76 HG2 PRO 11 HG3 PRO 11 2.551 -6.277 2.493 77 HG3 PRO 11 HG2 PRO 11 2.741 -4.954 1.328 78 HD2 PRO 11 HD3 PRO 11 0.460 -5.533 3.167 79 HD3 PRO 11 HD2 PRO 11 1.108 -3.981 2.618 80 H SER 12 H SER 12 -1.328 -6.925 1.345 81 HA SER 12 HA SER 12 -2.264 -8.842 -0.556 82 HB2 SER 12 HB3 SER 12 -2.304 -9.285 1.874 83 HB3 SER 12 HB2 SER 12 -3.486 -7.991 2.069 84 HG SER 12 HG SER 12 -4.372 -9.687 0.200 85 H ASN 13 H ASN 13 -3.077 -5.506 -0.092 86 HA ASN 13 HA ASN 13 -5.233 -5.764 -1.905 87 HB2 ASN 13 HB3 ASN 13 -6.489 -6.146 0.165 88 HB3 ASN 13 HB2 ASN 13 -5.753 -4.726 0.900 89 HD21 ASN 13 HD21 ASN 13 -8.034 -5.847 -1.501 90 HD22 ASN 13 HD22 ASN 13 -8.857 -4.347 -1.688 91 H ASP 14 H ASP 14 -4.027 -4.619 -3.183 92 HA ASP 14 HA ASP 14 -2.646 -2.351 -2.288 93 HB2 ASP 14 HB3 ASP 14 -1.775 -3.680 -4.097 94 HB3 ASP 14 HB2 ASP 14 -3.197 -3.333 -5.078 95 H GLN 15 H GLN 15 -3.492 -0.447 -2.018 96 HA GLN 15 HA GLN 15 -5.406 0.590 -3.906 97 HB2 GLN 15 HB3 GLN 15 -6.802 -0.366 -2.080 98 HB3 GLN 15 HB2 GLN 15 -5.971 0.681 -0.937 99 HG2 GLN 15 HG3 GLN 15 -6.761 2.636 -2.134 100 HG3 GLN 15 HG2 GLN 15 -7.614 1.608 -3.280 101 HE21 GLN 15 HE21 GLN 15 -9.628 2.292 -2.812 102 HE22 GLN 15 HE22 GLN 15 -10.425 2.046 -1.307 103 H CYS 16 H CYS 16 -4.208 1.503 -0.680 104 HA CYS 16 HA CYS 16 -3.237 3.470 0.072 105 HB2 CYS 16 HB3 CYS 16 -1.370 2.287 -1.102 106 HB3 CYS 16 HB2 CYS 16 -1.791 3.162 -2.572 107 H CYS 17 H CYS 17 -2.252 5.447 -2.078 108 HA CYS 17 HA CYS 17 -4.808 6.768 -2.168 109 HB2 CYS 17 HB3 CYS 17 -2.615 7.980 -1.672 110 HB3 CYS 17 HB2 CYS 17 -2.331 7.778 -3.410 111 H LYS 18 H LYS 18 -5.962 5.859 -3.478 112 HA LYS 18 HA LYS 18 -5.276 4.916 -6.081 113 HB2 LYS 18 HB3 LYS 18 -7.763 4.757 -6.430 114 HB3 LYS 18 HB2 LYS 18 -7.165 3.915 -5.010 115 HG2 LYS 18 HG3 LYS 18 -7.905 5.794 -3.601 116 HG3 LYS 18 HG2 LYS 18 -8.537 6.601 -5.036 117 HD2 LYS 18 HD3 LYS 18 -10.107 4.805 -5.405 118 HD3 LYS 18 HD2 LYS 18 -9.407 3.879 -4.080 119 HE2 LYS 18 HE3 LYS 18 -11.486 4.949 -3.397 120 HE3 LYS 18 HE2 LYS 18 -10.120 5.592 -2.492 121 HZ1 LYS 18 HZ1 LYS 18 -11.436 6.911 -4.812 122 HZ2 LYS 18 HZ2 LYS 18 -10.152 7.552 -3.921 123 HZ3 LYS 18 HZ3 LYS 18 -11.638 7.328 -3.198 124 H SER 19 H SER 19 -6.098 7.959 -4.849 125 HA SER 19 HA SER 19 -6.819 9.099 -7.378 126 HB2 SER 19 HB3 SER 19 -6.297 10.371 -4.700 127 HB3 SER 19 HB2 SER 19 -7.104 11.124 -6.079 128 HG SER 19 HG SER 19 -8.845 10.017 -5.709 129 H SER 20 H SER 20 -3.883 8.570 -5.587 130 HA SER 20 HA SER 20 -2.505 10.553 -7.266 131 HB2 SER 20 HB3 SER 20 -2.313 10.895 -4.843 132 HB3 SER 20 HB2 SER 20 -1.638 9.266 -4.707 133 HG SER 20 HG SER 20 -0.065 10.210 -6.363 134 H LYS 21 H LYS 21 -3.224 7.388 -7.059 135 HA LYS 21 HA LYS 21 -2.562 5.541 -8.085 136 HB2 LYS 21 HB3 LYS 21 -0.707 7.329 -9.655 137 HB3 LYS 21 HB2 LYS 21 -1.340 5.763 -10.167 138 HG2 LYS 21 HG3 LYS 21 -2.986 8.195 -9.610 139 HG3 LYS 21 HG2 LYS 21 -2.469 7.737 -11.242 140 HD2 LYS 21 HD3 LYS 21 -3.725 5.607 -10.981 141 HD3 LYS 21 HD2 LYS 21 -4.228 6.120 -9.372 142 HE2 LYS 21 HE3 LYS 21 -6.007 6.513 -10.985 143 HE3 LYS 21 HE2 LYS 21 -5.403 8.031 -10.336 144 HZ1 LYS 21 HZ1 LYS 21 -4.137 8.368 -12.369 145 HZ2 LYS 21 HZ2 LYS 21 -5.759 8.134 -12.728 146 HZ3 LYS 21 HZ3 LYS 21 -4.663 6.885 -12.980 147 H LEU 22 H LEU 22 -1.474 5.478 -5.694 148 HA LEU 22 HA LEU 22 1.353 5.187 -5.940 149 HB2 LEU 22 HB3 LEU 22 -0.458 5.608 -3.582 150 HB3 LEU 22 HB2 LEU 22 1.280 5.456 -3.540 151 HG LEU 22 HG LEU 22 -0.334 7.735 -4.668 152 HD11 LEU 22 HD11 LEU 22 0.806 9.065 -2.974 153 HD12 LEU 22 HD12 LEU 22 1.630 7.624 -2.397 154 HD13 LEU 22 HD13 LEU 22 -0.128 7.754 -2.243 155 HD21 LEU 22 HD21 LEU 22 1.810 8.833 -5.161 156 HD22 LEU 22 HD22 LEU 22 1.576 7.366 -6.113 157 HD23 LEU 22 HD23 LEU 22 2.638 7.345 -4.702 158 H VAL 23 H VAL 23 2.076 3.272 -5.292 159 HA VAL 23 HA VAL 23 0.039 1.173 -5.037 160 HB VAL 23 HB VAL 23 1.648 -0.409 -6.055 161 HG11 VAL 23 HG11 VAL 23 0.026 0.641 -7.497 162 HG12 VAL 23 HG12 VAL 23 1.560 0.487 -8.359 163 HG13 VAL 23 HG13 VAL 23 1.072 2.046 -7.699 164 HG21 VAL 23 HG21 VAL 23 3.357 2.032 -6.532 165 HG22 VAL 23 HG22 VAL 23 3.664 0.418 -7.179 166 HG23 VAL 23 HG23 VAL 23 3.721 0.698 -5.437 167 H CYS 24 H CYS 24 0.610 -0.665 -3.759 168 HA CYS 24 HA CYS 24 1.956 0.242 -1.367 169 HB2 CYS 24 HB3 CYS 24 -0.219 -0.887 -1.224 170 HB3 CYS 24 HB2 CYS 24 0.513 -2.346 -1.897 171 H SER 25 H SER 25 3.870 -0.443 -0.613 172 HA SER 25 HA SER 25 5.498 -1.998 -2.284 173 HB2 SER 25 HB3 SER 25 6.453 -0.112 -1.069 174 HB3 SER 25 HB2 SER 25 6.013 -0.853 0.467 175 HG SER 25 HG SER 25 8.181 -1.204 -0.031 176 H ARG 26 H ARG 26 6.644 -3.841 -1.465 177 HA ARG 26 HA ARG 26 4.768 -5.646 -0.137 178 HB2 ARG 26 HB3 ARG 26 5.473 -6.159 -2.417 179 HB3 ARG 26 HB2 ARG 26 7.140 -6.119 -1.852 180 HG2 ARG 26 HG3 ARG 26 6.861 -8.108 -0.591 181 HG3 ARG 26 HG2 ARG 26 5.112 -8.094 -0.849 182 HD2 ARG 26 HD3 ARG 26 6.290 -9.708 -2.310 183 HD3 ARG 26 HD2 ARG 26 5.397 -8.471 -3.193 184 HE ARG 26 HE ARG 26 8.212 -7.971 -2.719 185 HH11 ARG 26 HH11 ARG 26 5.761 -9.119 -4.993 186 HH12 ARG 26 HH12 ARG 26 6.723 -8.869 -6.383 187 HH21 ARG 26 HH21 ARG 26 9.529 -7.638 -4.599 188 HH22 ARG 26 HH22 ARG 26 8.947 -8.003 -6.155 189 H LYS 27 H LYS 27 8.240 -4.877 -0.255 190 HA LYS 27 HA LYS 27 8.622 -6.447 2.140 191 HB2 LYS 27 HB3 LYS 27 11.015 -5.990 1.906 192 HB3 LYS 27 HB2 LYS 27 10.336 -6.625 0.422 193 HG2 LYS 27 HG3 LYS 27 10.352 -4.397 -0.563 194 HG3 LYS 27 HG2 LYS 27 10.952 -3.724 0.951 195 HD2 LYS 27 HD3 LYS 27 12.976 -5.092 0.752 196 HD3 LYS 27 HD2 LYS 27 12.365 -5.762 -0.758 197 HE2 LYS 27 HE3 LYS 27 12.415 -3.536 -1.774 198 HE3 LYS 27 HE2 LYS 27 12.992 -2.852 -0.255 199 HZ1 LYS 27 HZ1 LYS 27 14.827 -3.241 -1.808 200 HZ2 LYS 27 HZ2 LYS 27 14.435 -4.871 -1.886 201 HZ3 LYS 27 HZ3 LYS 27 14.981 -4.214 -0.443 202 H THR 28 H THR 28 8.063 -3.165 1.391 203 HA THR 28 HA THR 28 9.022 -2.546 4.091 204 HB THR 28 HB THR 28 9.157 -0.118 3.367 205 HG1 THR 28 HG1 THR 28 8.884 0.365 1.361 206 HG21 THR 28 HG21 THR 28 11.353 -0.438 2.340 207 HG22 THR 28 HG22 THR 28 10.976 -2.132 2.048 208 HG23 THR 28 HG23 THR 28 11.122 -1.537 3.700 209 H ARG 29 H ARG 29 6.137 -2.849 2.465 210 HA ARG 29 HA ARG 29 4.008 -2.519 3.020 211 HB2 ARG 29 HB3 ARG 29 4.888 -3.548 5.088 212 HB3 ARG 29 HB2 ARG 29 5.145 -1.953 5.755 213 HG2 ARG 29 HG3 ARG 29 2.764 -1.556 5.790 214 HG3 ARG 29 HG2 ARG 29 2.475 -3.109 4.994 215 HD2 ARG 29 HD3 ARG 29 2.127 -3.344 7.375 216 HD3 ARG 29 HD2 ARG 29 3.556 -4.240 6.824 217 HE ARG 29 HE ARG 29 4.070 -1.592 7.848 218 HH11 ARG 29 HH11 ARG 29 3.986 -5.053 8.633 219 HH12 ARG 29 HH12 ARG 29 4.932 -4.898 10.031 220 HH21 ARG 29 HH21 ARG 29 5.434 -1.410 9.777 221 HH22 ARG 29 HH22 ARG 29 5.778 -2.808 10.682 222 H TRP 30 H TRP 30 5.865 0.023 2.556 223 HA TRP 30 HA TRP 30 3.773 1.979 3.297 224 HB2 TRP 30 HB3 TRP 30 5.415 3.749 2.834 225 HB3 TRP 30 HB2 TRP 30 5.877 2.749 4.182 226 HD1 TRP 30 HD1 TRP 30 6.674 2.552 0.344 227 HE1 TRP 30 HE1 TRP 30 9.223 2.340 0.077 228 HE3 TRP 30 HE3 TRP 30 7.989 2.683 5.274 229 HZ2 TRP 30 HZ2 TRP 30 11.503 2.257 1.772 230 HZ3 TRP 30 HZ3 TRP 30 10.371 2.548 5.871 231 HH2 TRP 30 HH2 TRP 30 12.091 2.338 4.147 232 H CYS 31 H CYS 31 3.844 3.867 1.693 233 HA CYS 31 HA CYS 31 2.922 2.538 -0.630 234 HB2 CYS 31 HB3 CYS 31 2.465 5.135 0.665 235 HB3 CYS 31 HB2 CYS 31 2.103 4.989 -1.059 236 H LYS 32 H LYS 32 3.723 2.810 -2.584 237 HA LYS 32 HA LYS 32 6.345 4.030 -2.817 238 HB2 LYS 32 HB3 LYS 32 4.796 2.385 -4.812 239 HB3 LYS 32 HB2 LYS 32 6.509 2.795 -4.874 240 HG2 LYS 32 HG3 LYS 32 6.849 1.604 -2.801 241 HG3 LYS 32 HG2 LYS 32 5.166 1.134 -2.794 242 HD2 LYS 32 HD3 LYS 32 6.551 -0.709 -3.626 243 HD3 LYS 32 HD2 LYS 32 5.488 -0.117 -4.894 244 HE2 LYS 32 HE3 LYS 32 7.318 1.111 -5.890 245 HE3 LYS 32 HE2 LYS 32 8.384 0.657 -4.560 246 HZ1 LYS 32 HZ1 LYS 32 8.681 -0.713 -6.555 247 HZ2 LYS 32 HZ2 LYS 32 7.105 -1.264 -6.427 248 HZ3 LYS 32 HZ3 LYS 32 8.225 -1.630 -5.228 249 H TRP 33 H TRP 33 6.784 5.479 -4.521 250 HA TRP 33 HA TRP 33 4.518 7.209 -4.837 251 HB2 TRP 33 HB3 TRP 33 6.824 8.038 -4.111 252 HB3 TRP 33 HB2 TRP 33 7.313 7.819 -5.790 253 HD1 TRP 33 HD1 TRP 33 6.974 9.864 -7.290 254 HE1 TRP 33 HE1 TRP 33 5.594 12.063 -7.165 255 HE3 TRP 33 HE3 TRP 33 4.370 8.944 -3.003 256 HZ2 TRP 33 HZ2 TRP 33 3.666 13.220 -5.462 257 HZ3 TRP 33 HZ3 TRP 33 2.777 10.637 -2.197 258 HH2 TRP 33 HH2 TRP 33 2.439 12.724 -3.408 259 H GLN 34 H GLN 34 4.080 8.207 -6.875 260 HA GLN 34 HA GLN 34 3.485 6.260 -8.840 261 HB2 GLN 34 HB3 GLN 34 2.483 8.234 -10.032 262 HB3 GLN 34 HB2 GLN 34 1.869 7.903 -8.418 263 HG2 GLN 34 HG3 GLN 34 3.364 9.672 -7.530 264 HG3 GLN 34 HG2 GLN 34 3.861 10.028 -9.180 265 HE21 GLN 34 HE21 GLN 34 2.469 11.597 -7.104 266 HE22 GLN 34 HE22 GLN 34 1.031 12.169 -7.853 267 H ILE 35 H ILE 35 6.346 7.846 -8.463 268 HA ILE 35 HA ILE 35 6.771 8.165 -11.331 269 HB ILE 35 HB ILE 35 8.584 8.986 -9.026 270 HG12 ILE 35 HG12 ILE 35 6.926 10.660 -10.923 271 HG13 ILE 35 HG11 ILE 35 6.486 10.317 -9.259 272 HG21 ILE 35 HG21 ILE 35 9.904 10.163 -10.734 273 HG22 ILE 35 HG22 ILE 35 8.862 9.514 -11.994 274 HG23 ILE 35 HG23 ILE 35 9.876 8.426 -11.045 275 HD11 ILE 35 HD11 ILE 35 8.900 11.866 -10.183 276 HD12 ILE 35 HD12 ILE 35 8.482 11.527 -8.503 277 HD13 ILE 35 HD13 ILE 35 7.428 12.541 -9.488 278 HN1 NH2 36 HN1 NH2 36 7.028 6.210 -12.127 279 HN2 NH2 36 HN2 NH2 36 8.200 5.048 -11.625 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -8.875 4.152 2.653 2 H2 GLY 1 H2 GLY 1 -8.990 3.288 1.210 3 H3 GLY 1 H3 GLY 1 -10.398 3.906 1.953 4 HA2 GLY 1 HA2 GLY 1 -9.683 5.245 0.053 5 HA3 GLY 1 HA3 GLY 1 -9.578 6.153 1.565 6 H CYS 2 H CYS 2 -7.902 7.503 0.601 7 HA CYS 2 HA CYS 2 -5.538 6.300 -0.350 8 HB2 CYS 2 HB3 CYS 2 -5.973 9.119 0.602 9 HB3 CYS 2 HB2 CYS 2 -4.575 8.532 -0.210 10 H LEU 3 H LEU 3 -3.514 6.807 0.582 11 HA LEU 3 HA LEU 3 -3.358 6.900 3.451 12 HB2 LEU 3 HB3 LEU 3 -2.102 4.864 1.621 13 HB3 LEU 3 HB2 LEU 3 -1.650 5.124 3.287 14 HG LEU 3 HG LEU 3 -4.360 4.209 2.350 15 HD11 LEU 3 HD11 LEU 3 -2.102 2.638 3.606 16 HD12 LEU 3 HD12 LEU 3 -2.663 2.498 1.940 17 HD13 LEU 3 HD13 LEU 3 -3.714 2.010 3.269 18 HD21 LEU 3 HD21 LEU 3 -4.490 5.384 4.469 19 HD22 LEU 3 HD22 LEU 3 -3.178 4.406 5.122 20 HD23 LEU 3 HD23 LEU 3 -4.728 3.657 4.737 21 H GLY 4 H GLY 4 -1.223 7.551 4.036 22 HA2 GLY 4 HA3 GLY 4 0.031 9.347 2.142 23 HA3 GLY 4 HA2 GLY 4 0.513 9.073 3.818 24 H ILE 5 H ILE 5 2.447 9.350 2.139 25 HA ILE 5 HA ILE 5 3.081 7.089 0.673 26 HB ILE 5 HB ILE 5 3.902 9.222 -0.053 27 HG12 ILE 5 HG13 ILE 5 6.113 7.515 0.963 28 HG13 ILE 5 HG12 ILE 5 5.232 7.307 -0.555 29 HG21 ILE 5 HG21 ILE 5 5.425 9.387 2.545 30 HG22 ILE 5 HG22 ILE 5 4.042 10.376 2.071 31 HG23 ILE 5 HG23 ILE 5 5.566 10.516 1.198 32 HD11 ILE 5 HD11 ILE 5 6.153 9.450 -1.367 33 HD12 ILE 5 HD12 ILE 5 7.446 8.320 -0.961 34 HD13 ILE 5 HD13 ILE 5 7.043 9.634 0.144 35 H TRP 6 H TRP 6 3.829 7.970 3.846 36 HA TRP 6 HA TRP 6 5.642 5.774 3.954 37 HB2 TRP 6 HB3 TRP 6 5.097 7.915 5.903 38 HB3 TRP 6 HB2 TRP 6 6.241 6.604 6.209 39 HD1 TRP 6 HD1 TRP 6 6.351 9.955 5.303 40 HE1 TRP 6 HE1 TRP 6 8.386 10.590 3.819 41 HE3 TRP 6 HE3 TRP 6 7.665 5.299 3.740 42 HZ2 TRP 6 HZ2 TRP 6 10.269 9.250 2.192 43 HZ3 TRP 6 HZ3 TRP 6 9.574 5.051 2.214 44 HH2 TRP 6 HH2 TRP 6 10.843 6.990 1.457 45 H LYS 7 H LYS 7 2.599 5.785 3.996 46 HA LYS 7 HA LYS 7 2.040 4.811 6.646 47 HB2 LYS 7 HB3 LYS 7 0.366 5.303 4.245 48 HB3 LYS 7 HB2 LYS 7 -0.259 4.514 5.666 49 HG2 LYS 7 HG3 LYS 7 0.901 7.311 5.568 50 HG3 LYS 7 HG2 LYS 7 -0.814 6.918 5.631 51 HD2 LYS 7 HD3 LYS 7 1.223 6.295 7.784 52 HD3 LYS 7 HD2 LYS 7 0.031 7.586 7.824 53 HE2 LYS 7 HE3 LYS 7 -1.779 5.920 7.741 54 HE3 LYS 7 HE2 LYS 7 -0.575 4.638 7.697 55 HZ1 LYS 7 HZ1 LYS 7 -1.380 4.904 9.915 56 HZ2 LYS 7 HZ2 LYS 7 -1.009 6.544 9.919 57 HZ3 LYS 7 HZ3 LYS 7 0.228 5.396 9.853 58 H ALA 8 H ALA 8 1.353 2.832 7.146 59 HA ALA 8 HA ALA 8 2.489 0.732 5.565 60 HB1 ALA 8 HB1 ALA 8 1.845 -0.725 7.414 61 HB2 ALA 8 HB2 ALA 8 0.909 0.587 8.128 62 HB3 ALA 8 HB3 ALA 8 2.663 0.718 8.020 63 H CYS 9 H CYS 9 1.380 0.283 3.801 64 HA CYS 9 HA CYS 9 -1.510 0.032 3.878 65 HB2 CYS 9 HB3 CYS 9 -1.053 -0.482 1.432 66 HB3 CYS 9 HB2 CYS 9 -0.824 1.170 1.960 67 H ASN 10 H ASN 10 -2.007 -1.922 2.138 68 HA ASN 10 HA ASN 10 -0.734 -4.225 3.364 69 HB2 ASN 10 HB3 ASN 10 -3.567 -3.625 2.743 70 HB3 ASN 10 HB2 ASN 10 -3.008 -5.286 2.683 71 HD21 ASN 10 HD21 ASN 10 -4.154 -5.963 4.462 72 HD22 ASN 10 HD22 ASN 10 -3.833 -5.440 6.078 73 HA PRO 11 HA PRO 11 0.598 -5.055 -0.866 74 HB2 PRO 11 HB3 PRO 11 0.864 -7.717 0.447 75 HB3 PRO 11 HB2 PRO 11 2.009 -6.880 -0.603 76 HG2 PRO 11 HG3 PRO 11 2.461 -6.910 1.988 77 HG3 PRO 11 HG2 PRO 11 2.638 -5.381 1.104 78 HD2 PRO 11 HD3 PRO 11 0.407 -6.286 2.872 79 HD3 PRO 11 HD2 PRO 11 1.168 -4.688 2.726 80 H SER 12 H SER 12 -1.527 -7.168 0.985 81 HA SER 12 HA SER 12 -2.583 -8.424 -1.382 82 HB2 SER 12 HB3 SER 12 -2.301 -9.711 0.734 83 HB3 SER 12 HB2 SER 12 -3.529 -8.695 1.486 84 HG SER 12 HG SER 12 -4.959 -9.424 -0.165 85 H ASN 13 H ASN 13 -3.199 -5.512 0.148 86 HA ASN 13 HA ASN 13 -5.735 -5.299 -1.232 87 HB2 ASN 13 HB3 ASN 13 -6.308 -5.663 1.180 88 HB3 ASN 13 HB2 ASN 13 -5.278 -4.310 1.622 89 HD21 ASN 13 HD21 ASN 13 -6.091 -2.218 1.396 90 HD22 ASN 13 HD22 ASN 13 -7.733 -1.900 0.987 91 H ASP 14 H ASP 14 -4.033 -4.584 -2.625 92 HA ASP 14 HA ASP 14 -2.491 -2.342 -1.935 93 HB2 ASP 14 HB3 ASP 14 -1.713 -3.938 -3.557 94 HB3 ASP 14 HB2 ASP 14 -3.072 -3.542 -4.621 95 H GLN 15 H GLN 15 -3.518 -0.600 -1.564 96 HA GLN 15 HA GLN 15 -5.332 0.440 -3.584 97 HB2 GLN 15 HB3 GLN 15 -6.734 -0.488 -1.802 98 HB3 GLN 15 HB2 GLN 15 -5.893 0.491 -0.614 99 HG2 GLN 15 HG3 GLN 15 -6.725 2.511 -1.658 100 HG3 GLN 15 HG2 GLN 15 -7.542 1.555 -2.894 101 HE21 GLN 15 HE21 GLN 15 -9.371 0.414 -2.347 102 HE22 GLN 15 HE22 GLN 15 -10.251 0.701 -0.894 103 H CYS 16 H CYS 16 -4.190 1.601 -0.409 104 HA CYS 16 HA CYS 16 -3.350 3.664 0.186 105 HB2 CYS 16 HB3 CYS 16 -1.394 2.496 -0.868 106 HB3 CYS 16 HB2 CYS 16 -1.809 3.239 -2.403 107 H CYS 17 H CYS 17 -2.425 5.638 -1.920 108 HA CYS 17 HA CYS 17 -5.118 6.579 -2.482 109 HB2 CYS 17 HB3 CYS 17 -3.172 8.056 -1.518 110 HB3 CYS 17 HB2 CYS 17 -2.711 8.068 -3.225 111 H LYS 18 H LYS 18 -5.854 5.731 -4.186 112 HA LYS 18 HA LYS 18 -4.209 5.278 -6.520 113 HB2 LYS 18 HB3 LYS 18 -7.162 4.798 -6.082 114 HB3 LYS 18 HB2 LYS 18 -6.349 4.491 -7.612 115 HG2 LYS 18 HG3 LYS 18 -5.760 3.147 -4.977 116 HG3 LYS 18 HG2 LYS 18 -6.628 2.438 -6.340 117 HD2 LYS 18 HD3 LYS 18 -4.610 2.659 -7.731 118 HD3 LYS 18 HD2 LYS 18 -3.747 3.364 -6.368 119 HE2 LYS 18 HE3 LYS 18 -4.126 1.289 -5.100 120 HE3 LYS 18 HE2 LYS 18 -4.862 0.568 -6.531 121 HZ1 LYS 18 HZ1 LYS 18 -2.793 0.828 -7.694 122 HZ2 LYS 18 HZ2 LYS 18 -2.505 -0.003 -6.235 123 HZ3 LYS 18 HZ3 LYS 18 -2.124 1.648 -6.379 124 H SER 19 H SER 19 -6.125 7.734 -5.250 125 HA SER 19 HA SER 19 -6.657 9.144 -7.629 126 HB2 SER 19 HB3 SER 19 -6.225 10.222 -4.835 127 HB3 SER 19 HB2 SER 19 -7.095 11.020 -6.149 128 HG SER 19 HG SER 19 -8.316 8.856 -6.068 129 H SER 20 H SER 20 -3.852 8.841 -5.531 130 HA SER 20 HA SER 20 -2.383 10.861 -7.037 131 HB2 SER 20 HB3 SER 20 -1.544 9.110 -4.756 132 HB3 SER 20 HB2 SER 20 -0.682 10.533 -5.367 133 HG SER 20 HG SER 20 -1.802 11.331 -3.716 134 H LYS 21 H LYS 21 -3.225 7.752 -7.233 135 HA LYS 21 HA LYS 21 -2.683 5.970 -8.307 136 HB2 LYS 21 HB3 LYS 21 -0.889 7.748 -9.884 137 HB3 LYS 21 HB2 LYS 21 -1.451 6.151 -10.375 138 HG2 LYS 21 HG3 LYS 21 -3.780 6.957 -10.168 139 HG3 LYS 21 HG2 LYS 21 -3.123 8.560 -9.819 140 HD2 LYS 21 HD3 LYS 21 -1.867 8.397 -11.827 141 HD3 LYS 21 HD2 LYS 21 -2.743 6.948 -12.311 142 HE2 LYS 21 HE3 LYS 21 -3.973 9.681 -11.820 143 HE3 LYS 21 HE2 LYS 21 -3.810 8.896 -13.387 144 HZ1 LYS 21 HZ1 LYS 21 -5.463 7.868 -11.136 145 HZ2 LYS 21 HZ2 LYS 21 -5.363 7.198 -12.679 146 HZ3 LYS 21 HZ3 LYS 21 -6.054 8.711 -12.461 147 H LEU 22 H LEU 22 -1.538 5.563 -6.022 148 HA LEU 22 HA LEU 22 1.246 5.080 -6.400 149 HB2 LEU 22 HB3 LEU 22 -0.462 5.516 -3.966 150 HB3 LEU 22 HB2 LEU 22 1.255 5.196 -3.973 151 HG LEU 22 HG LEU 22 -0.176 7.668 -4.924 152 HD11 LEU 22 HD11 LEU 22 1.100 8.792 -3.173 153 HD12 LEU 22 HD12 LEU 22 1.779 7.242 -2.684 154 HD13 LEU 22 HD13 LEU 22 0.043 7.535 -2.526 155 HD21 LEU 22 HD21 LEU 22 1.656 7.289 -6.444 156 HD22 LEU 22 HD22 LEU 22 2.753 7.006 -5.101 157 HD23 LEU 22 HD23 LEU 22 2.079 8.619 -5.361 158 H VAL 23 H VAL 23 1.824 3.188 -5.235 159 HA VAL 23 HA VAL 23 -0.275 1.174 -4.940 160 HB VAL 23 HB VAL 23 1.278 -0.544 -5.813 161 HG11 VAL 23 HG11 VAL 23 -0.453 0.336 -7.289 162 HG12 VAL 23 HG12 VAL 23 1.002 -0.025 -8.215 163 HG13 VAL 23 HG13 VAL 23 0.619 1.643 -7.790 164 HG21 VAL 23 HG21 VAL 23 2.937 1.794 -6.722 165 HG22 VAL 23 HG22 VAL 23 3.224 0.104 -7.156 166 HG23 VAL 23 HG23 VAL 23 3.359 0.628 -5.474 167 H CYS 24 H CYS 24 0.685 -0.787 -3.714 168 HA CYS 24 HA CYS 24 2.052 0.369 -1.418 169 HB2 CYS 24 HB3 CYS 24 -0.139 -0.722 -1.086 170 HB3 CYS 24 HB2 CYS 24 0.538 -2.233 -1.681 171 H SER 25 H SER 25 3.991 -0.299 -0.803 172 HA SER 25 HA SER 25 5.449 -2.096 -2.430 173 HB2 SER 25 HB3 SER 25 6.377 0.071 -1.507 174 HB3 SER 25 HB2 SER 25 6.316 -0.666 0.091 175 HG SER 25 HG SER 25 8.196 -1.302 -0.359 176 H ARG 26 H ARG 26 6.570 -4.005 -1.346 177 HA ARG 26 HA ARG 26 4.521 -5.206 0.359 178 HB2 ARG 26 HB3 ARG 26 5.031 -6.225 -1.845 179 HB3 ARG 26 HB2 ARG 26 6.651 -6.552 -1.241 180 HG2 ARG 26 HG3 ARG 26 5.771 -8.016 0.465 181 HG3 ARG 26 HG2 ARG 26 4.120 -7.649 -0.033 182 HD2 ARG 26 HD3 ARG 26 6.226 -9.019 -1.700 183 HD3 ARG 26 HD2 ARG 26 4.840 -9.788 -0.924 184 HE ARG 26 HE ARG 26 4.100 -7.671 -2.699 185 HH11 ARG 26 HH11 ARG 26 4.859 -11.105 -2.514 186 HH12 ARG 26 HH12 ARG 26 4.105 -11.504 -3.985 187 HH21 ARG 26 HH21 ARG 26 3.104 -8.193 -4.735 188 HH22 ARG 26 HH22 ARG 26 3.096 -9.804 -5.289 189 H LYS 27 H LYS 27 8.033 -5.385 -0.021 190 HA LYS 27 HA LYS 27 8.319 -6.639 2.528 191 HB2 LYS 27 HB3 LYS 27 10.412 -5.539 0.649 192 HB3 LYS 27 HB2 LYS 27 10.729 -6.537 2.057 193 HG2 LYS 27 HG3 LYS 27 9.523 -8.393 1.050 194 HG3 LYS 27 HG2 LYS 27 9.132 -7.393 -0.352 195 HD2 LYS 27 HD3 LYS 27 11.519 -7.150 -0.837 196 HD3 LYS 27 HD2 LYS 27 11.905 -8.153 0.558 197 HE2 LYS 27 HE3 LYS 27 10.321 -9.029 -1.861 198 HE3 LYS 27 HE2 LYS 27 12.009 -9.414 -1.556 199 HZ1 LYS 27 HZ1 LYS 27 9.680 -10.281 0.066 200 HZ2 LYS 27 HZ2 LYS 27 11.268 -10.607 0.476 201 HZ3 LYS 27 HZ3 LYS 27 10.601 -11.242 -0.949 202 H THR 28 H THR 28 8.438 -3.402 1.318 203 HA THR 28 HA THR 28 9.631 -2.552 3.864 204 HB THR 28 HB THR 28 9.738 -0.262 2.855 205 HG1 THR 28 HG1 THR 28 8.879 0.118 1.026 206 HG21 THR 28 HG21 THR 28 10.992 -2.480 1.245 207 HG22 THR 28 HG22 THR 28 11.637 -1.790 2.735 208 HG23 THR 28 HG23 THR 28 11.538 -0.799 1.273 209 H ARG 29 H ARG 29 6.690 -2.804 2.322 210 HA ARG 29 HA ARG 29 4.599 -2.174 2.644 211 HB2 ARG 29 HB3 ARG 29 5.076 -3.655 4.590 212 HB3 ARG 29 HB2 ARG 29 5.333 -2.212 5.558 213 HG2 ARG 29 HG3 ARG 29 3.035 -1.493 5.110 214 HG3 ARG 29 HG2 ARG 29 2.773 -2.947 4.150 215 HD2 ARG 29 HD3 ARG 29 3.302 -4.285 6.189 216 HD3 ARG 29 HD2 ARG 29 3.332 -2.774 7.101 217 HE ARG 29 HE ARG 29 0.960 -3.042 5.586 218 HH11 ARG 29 HH11 ARG 29 2.419 -4.020 8.671 219 HH12 ARG 29 HH12 ARG 29 0.942 -4.473 9.373 220 HH21 ARG 29 HH21 ARG 29 -1.085 -3.670 6.595 221 HH22 ARG 29 HH22 ARG 29 -1.043 -4.269 8.192 222 H TRP 30 H TRP 30 4.819 -0.181 1.654 223 HA TRP 30 HA TRP 30 3.725 1.988 3.067 224 HB2 TRP 30 HB3 TRP 30 5.450 3.665 2.569 225 HB3 TRP 30 HB2 TRP 30 6.003 2.550 3.783 226 HD1 TRP 30 HD1 TRP 30 6.285 2.304 -0.117 227 HE1 TRP 30 HE1 TRP 30 8.764 2.097 -0.753 228 HE3 TRP 30 HE3 TRP 30 8.341 2.679 4.542 229 HZ2 TRP 30 HZ2 TRP 30 11.268 2.112 0.550 230 HZ3 TRP 30 HZ3 TRP 30 10.789 2.582 4.757 231 HH2 TRP 30 HH2 TRP 30 12.216 2.305 2.798 232 H CYS 31 H CYS 31 3.787 3.892 1.526 233 HA CYS 31 HA CYS 31 2.671 2.715 -0.794 234 HB2 CYS 31 HB3 CYS 31 2.522 5.302 0.594 235 HB3 CYS 31 HB2 CYS 31 1.985 5.225 -1.092 236 H LYS 32 H LYS 32 3.551 2.890 -2.771 237 HA LYS 32 HA LYS 32 6.251 3.935 -2.944 238 HB2 LYS 32 HB3 LYS 32 4.614 2.494 -5.033 239 HB3 LYS 32 HB2 LYS 32 6.336 2.842 -5.117 240 HG2 LYS 32 HG3 LYS 32 6.685 1.464 -3.149 241 HG3 LYS 32 HG2 LYS 32 4.972 1.105 -3.118 242 HD2 LYS 32 HD3 LYS 32 5.960 -0.801 -4.155 243 HD3 LYS 32 HD2 LYS 32 5.301 0.131 -5.486 244 HE2 LYS 32 HE3 LYS 32 8.197 0.190 -4.620 245 HE3 LYS 32 HE2 LYS 32 7.568 -0.828 -5.902 246 HZ1 LYS 32 HZ1 LYS 32 8.559 1.101 -6.852 247 HZ2 LYS 32 HZ2 LYS 32 7.715 2.144 -5.880 248 HZ3 LYS 32 HZ3 LYS 32 6.906 1.273 -7.069 249 H TRP 33 H TRP 33 6.722 5.722 -3.792 250 HA TRP 33 HA TRP 33 4.633 7.508 -4.542 251 HB2 TRP 33 HB3 TRP 33 6.613 8.177 -3.161 252 HB3 TRP 33 HB2 TRP 33 7.603 8.021 -4.609 253 HD1 TRP 33 HD1 TRP 33 7.955 10.227 -5.850 254 HE1 TRP 33 HE1 TRP 33 6.658 12.474 -6.040 255 HE3 TRP 33 HE3 TRP 33 3.873 9.103 -2.994 256 HZ2 TRP 33 HZ2 TRP 33 4.274 13.585 -5.111 257 HZ3 TRP 33 HZ3 TRP 33 2.137 10.809 -2.703 258 HH2 TRP 33 HH2 TRP 33 2.340 13.004 -3.742 259 H GLN 34 H GLN 34 4.350 8.538 -6.448 260 HA GLN 34 HA GLN 34 4.461 7.090 -8.776 261 HB2 GLN 34 HB3 GLN 34 3.884 9.239 -9.913 262 HB3 GLN 34 HB2 GLN 34 2.873 8.866 -8.522 263 HG2 GLN 34 HG3 GLN 34 4.198 10.404 -7.157 264 HG3 GLN 34 HG2 GLN 34 5.193 10.776 -8.552 265 HE21 GLN 34 HE21 GLN 34 2.866 10.791 -10.374 266 HE22 GLN 34 HE22 GLN 34 2.042 12.252 -9.998 267 H ILE 35 H ILE 35 6.695 9.637 -7.726 268 HA ILE 35 HA ILE 35 8.403 9.023 -10.023 269 HB ILE 35 HB ILE 35 8.718 11.247 -7.964 270 HG12 ILE 35 HG12 ILE 35 6.726 11.682 -9.325 271 HG13 ILE 35 HG11 ILE 35 8.006 12.799 -9.752 272 HG21 ILE 35 HG21 ILE 35 10.844 10.597 -8.959 273 HG22 ILE 35 HG22 ILE 35 10.365 12.200 -9.514 274 HG23 ILE 35 HG23 ILE 35 10.169 10.805 -10.575 275 HD11 ILE 35 HD11 ILE 35 6.827 12.029 -11.724 276 HD12 ILE 35 HD12 ILE 35 7.198 10.357 -11.316 277 HD13 ILE 35 HD13 ILE 35 8.500 11.467 -11.749 278 HN1 NH2 36 HN1 NH2 36 9.383 7.191 -9.491 279 HN2 NH2 36 HN2 NH2 36 10.305 6.908 -8.054 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -10.491 8.743 -0.416 2 H2 GLY 1 H2 GLY 1 -11.713 8.604 0.721 3 H3 GLY 1 H3 GLY 1 -11.133 7.225 -0.069 4 HA2 GLY 1 HA2 GLY 1 -9.611 8.902 1.823 5 HA3 GLY 1 HA3 GLY 1 -10.267 7.308 2.155 6 H CYS 2 H CYS 2 -7.522 8.800 1.592 7 HA CYS 2 HA CYS 2 -6.364 6.518 0.166 8 HB2 CYS 2 HB3 CYS 2 -5.473 9.387 0.127 9 HB3 CYS 2 HB2 CYS 2 -4.617 8.045 -0.570 10 H LEU 3 H LEU 3 -3.896 6.537 0.675 11 HA LEU 3 HA LEU 3 -3.639 6.765 3.557 12 HB2 LEU 3 HB3 LEU 3 -2.173 5.031 1.574 13 HB3 LEU 3 HB2 LEU 3 -1.871 5.080 3.293 14 HG LEU 3 HG LEU 3 -4.400 4.087 1.972 15 HD11 LEU 3 HD11 LEU 3 -2.171 2.630 3.368 16 HD12 LEU 3 HD12 LEU 3 -2.520 2.596 1.638 17 HD13 LEU 3 HD13 LEU 3 -3.664 1.900 2.785 18 HD21 LEU 3 HD21 LEU 3 -4.998 3.308 4.221 19 HD22 LEU 3 HD22 LEU 3 -4.885 5.063 4.137 20 HD23 LEU 3 HD23 LEU 3 -3.580 4.128 4.873 21 H GLY 4 H GLY 4 -1.132 6.821 3.915 22 HA2 GLY 4 HA3 GLY 4 -0.077 9.136 2.406 23 HA3 GLY 4 HA2 GLY 4 0.344 8.753 4.081 24 H ILE 5 H ILE 5 2.316 9.204 2.421 25 HA ILE 5 HA ILE 5 3.083 7.002 0.892 26 HB ILE 5 HB ILE 5 3.906 9.117 0.202 27 HG12 ILE 5 HG13 ILE 5 6.079 7.554 1.494 28 HG13 ILE 5 HG12 ILE 5 5.395 7.269 -0.108 29 HG21 ILE 5 HG21 ILE 5 3.759 10.341 2.290 30 HG22 ILE 5 HG22 ILE 5 5.371 10.531 1.600 31 HG23 ILE 5 HG23 ILE 5 5.118 9.427 2.948 32 HD11 ILE 5 HD11 ILE 5 6.312 9.448 -0.855 33 HD12 ILE 5 HD12 ILE 5 7.587 8.374 -0.284 34 HD13 ILE 5 HD13 ILE 5 7.011 9.684 0.747 35 H TRP 6 H TRP 6 4.041 7.929 4.033 36 HA TRP 6 HA TRP 6 5.784 5.677 4.054 37 HB2 TRP 6 HB3 TRP 6 5.343 7.829 6.032 38 HB3 TRP 6 HB2 TRP 6 6.464 6.493 6.312 39 HD1 TRP 6 HD1 TRP 6 6.517 9.885 5.171 40 HE1 TRP 6 HE1 TRP 6 8.612 10.403 3.694 41 HE3 TRP 6 HE3 TRP 6 7.998 5.130 4.143 42 HZ2 TRP 6 HZ2 TRP 6 10.565 8.967 2.292 43 HZ3 TRP 6 HZ3 TRP 6 9.969 4.778 2.724 44 HH2 TRP 6 HH2 TRP 6 11.224 6.657 1.821 45 H LYS 7 H LYS 7 2.767 5.661 4.207 46 HA LYS 7 HA LYS 7 2.324 4.645 6.865 47 HB2 LYS 7 HB3 LYS 7 0.499 5.107 4.563 48 HB3 LYS 7 HB2 LYS 7 0.020 4.477 6.114 49 HG2 LYS 7 HG3 LYS 7 1.242 7.198 5.672 50 HG3 LYS 7 HG2 LYS 7 -0.476 6.896 5.910 51 HD2 LYS 7 HD3 LYS 7 0.047 5.940 8.140 52 HD3 LYS 7 HD2 LYS 7 1.742 6.360 7.893 53 HE2 LYS 7 HE3 LYS 7 0.635 8.042 9.256 54 HE3 LYS 7 HE2 LYS 7 1.127 8.721 7.706 55 HZ1 LYS 7 HZ1 LYS 7 -1.129 9.387 8.374 56 HZ2 LYS 7 HZ2 LYS 7 -1.627 7.784 8.330 57 HZ3 LYS 7 HZ3 LYS 7 -1.124 8.548 6.922 58 H ALA 8 H ALA 8 1.987 2.664 7.310 59 HA ALA 8 HA ALA 8 2.860 0.681 5.437 60 HB1 ALA 8 HB1 ALA 8 1.837 0.356 8.258 61 HB2 ALA 8 HB2 ALA 8 3.525 0.541 7.786 62 HB3 ALA 8 HB3 ALA 8 2.627 -0.895 7.297 63 H CYS 9 H CYS 9 1.542 0.128 3.936 64 HA CYS 9 HA CYS 9 -1.328 -0.051 4.356 65 HB2 CYS 9 HB3 CYS 9 -1.200 -0.495 1.864 66 HB3 CYS 9 HB2 CYS 9 -0.816 1.124 2.403 67 H ASN 10 H ASN 10 -2.060 -1.922 2.648 68 HA ASN 10 HA ASN 10 -0.774 -4.323 3.690 69 HB2 ASN 10 HB3 ASN 10 -3.588 -3.558 3.268 70 HB3 ASN 10 HB2 ASN 10 -3.154 -5.218 2.902 71 HD21 ASN 10 HD21 ASN 10 -4.369 -6.021 4.596 72 HD22 ASN 10 HD22 ASN 10 -3.924 -5.813 6.255 73 HA PRO 11 HA PRO 11 0.480 -4.619 -0.658 74 HB2 PRO 11 HB3 PRO 11 1.238 -7.309 0.381 75 HB3 PRO 11 HB2 PRO 11 2.182 -6.181 -0.596 76 HG2 PRO 11 HG3 PRO 11 2.723 -6.425 1.978 77 HG3 PRO 11 HG2 PRO 11 2.670 -4.810 1.244 78 HD2 PRO 11 HD3 PRO 11 0.638 -6.174 2.958 79 HD3 PRO 11 HD2 PRO 11 1.172 -4.480 2.963 80 H SER 12 H SER 12 -1.151 -7.159 1.120 81 HA SER 12 HA SER 12 -2.150 -8.470 -1.240 82 HB2 SER 12 HB3 SER 12 -1.491 -9.701 0.842 83 HB3 SER 12 HB2 SER 12 -2.844 -8.942 1.671 84 HG SER 12 HG SER 12 -3.846 -10.023 -0.495 85 H ASN 13 H ASN 13 -3.090 -5.736 0.471 86 HA ASN 13 HA ASN 13 -5.837 -5.974 -0.534 87 HB2 ASN 13 HB3 ASN 13 -5.079 -4.663 2.114 88 HB3 ASN 13 HB2 ASN 13 -6.695 -4.795 1.448 89 HD21 ASN 13 HD21 ASN 13 -7.736 -6.851 1.485 90 HD22 ASN 13 HD22 ASN 13 -7.180 -8.100 2.535 91 H ASP 14 H ASP 14 -3.592 -5.010 -1.715 92 HA ASP 14 HA ASP 14 -2.802 -2.417 -1.395 93 HB2 ASP 14 HB3 ASP 14 -1.585 -3.847 -2.858 94 HB3 ASP 14 HB2 ASP 14 -2.975 -4.062 -3.915 95 H GLN 15 H GLN 15 -3.796 -0.609 -1.570 96 HA GLN 15 HA GLN 15 -5.453 -0.118 -3.855 97 HB2 GLN 15 HB3 GLN 15 -7.076 -0.729 -2.058 98 HB3 GLN 15 HB2 GLN 15 -6.426 0.567 -1.067 99 HG2 GLN 15 HG3 GLN 15 -7.077 2.179 -2.783 100 HG3 GLN 15 HG2 GLN 15 -7.811 0.875 -3.712 101 HE21 GLN 15 HE21 GLN 15 -8.060 2.882 -0.940 102 HE22 GLN 15 HE22 GLN 15 -9.689 2.488 -0.534 103 H CYS 16 H CYS 16 -4.811 1.551 -0.791 104 HA CYS 16 HA CYS 16 -3.954 3.544 -0.282 105 HB2 CYS 16 HB3 CYS 16 -1.936 2.277 -1.050 106 HB3 CYS 16 HB2 CYS 16 -2.109 3.054 -2.624 107 H CYS 17 H CYS 17 -2.765 5.486 -2.148 108 HA CYS 17 HA CYS 17 -5.316 6.431 -3.181 109 HB2 CYS 17 HB3 CYS 17 -3.364 7.893 -1.920 110 HB3 CYS 17 HB2 CYS 17 -2.960 8.009 -3.610 111 H LYS 18 H LYS 18 -5.527 5.372 -5.050 112 HA LYS 18 HA LYS 18 -3.343 5.306 -6.923 113 HB2 LYS 18 HB3 LYS 18 -6.186 4.374 -7.325 114 HB3 LYS 18 HB2 LYS 18 -4.875 4.141 -8.476 115 HG2 LYS 18 HG3 LYS 18 -3.652 2.961 -6.587 116 HG3 LYS 18 HG2 LYS 18 -5.205 2.937 -5.759 117 HD2 LYS 18 HD3 LYS 18 -6.176 1.757 -7.692 118 HD3 LYS 18 HD2 LYS 18 -4.584 1.742 -8.448 119 HE2 LYS 18 HE3 LYS 18 -5.363 0.422 -5.855 120 HE3 LYS 18 HE2 LYS 18 -4.945 -0.379 -7.369 121 HZ1 LYS 18 HZ1 LYS 18 -3.091 -0.434 -5.847 122 HZ2 LYS 18 HZ2 LYS 18 -3.143 1.228 -5.651 123 HZ3 LYS 18 HZ3 LYS 18 -2.701 0.567 -7.160 124 H SER 19 H SER 19 -5.994 7.274 -6.203 125 HA SER 19 HA SER 19 -6.044 8.759 -8.586 126 HB2 SER 19 HB3 SER 19 -6.699 9.623 -5.763 127 HB3 SER 19 HB2 SER 19 -7.184 10.463 -7.240 128 HG SER 19 HG SER 19 -8.091 8.265 -7.777 129 H SER 20 H SER 20 -3.679 8.563 -6.046 130 HA SER 20 HA SER 20 -2.392 10.915 -7.206 131 HB2 SER 20 HB3 SER 20 -1.884 9.550 -4.582 132 HB3 SER 20 HB2 SER 20 -1.056 10.989 -5.195 133 HG SER 20 HG SER 20 -3.102 12.012 -5.257 134 H LYS 21 H LYS 21 -2.564 7.793 -7.645 135 HA LYS 21 HA LYS 21 -1.443 6.268 -8.699 136 HB2 LYS 21 HB3 LYS 21 0.644 8.381 -9.113 137 HB3 LYS 21 HB2 LYS 21 0.574 6.836 -9.956 138 HG2 LYS 21 HG3 LYS 21 -1.537 8.950 -10.022 139 HG3 LYS 21 HG2 LYS 21 -0.332 8.727 -11.300 140 HD2 LYS 21 HD3 LYS 21 -1.228 6.398 -11.635 141 HD3 LYS 21 HD2 LYS 21 -2.487 6.754 -10.454 142 HE2 LYS 21 HE3 LYS 21 -3.263 8.613 -11.892 143 HE3 LYS 21 HE2 LYS 21 -2.039 8.171 -13.075 144 HZ1 LYS 21 HZ1 LYS 21 -4.204 7.283 -13.650 145 HZ2 LYS 21 HZ2 LYS 21 -4.308 6.422 -12.232 146 HZ3 LYS 21 HZ3 LYS 21 -3.132 6.033 -13.379 147 H LEU 22 H LEU 22 -1.123 6.255 -5.813 148 HA LEU 22 HA LEU 22 1.538 5.286 -5.581 149 HB2 LEU 22 HB3 LEU 22 -0.523 6.169 -3.595 150 HB3 LEU 22 HB2 LEU 22 0.838 5.190 -3.146 151 HG LEU 22 HG LEU 22 2.258 7.067 -4.181 152 HD11 LEU 22 HD11 LEU 22 0.518 8.303 -5.266 153 HD12 LEU 22 HD12 LEU 22 1.320 9.303 -4.053 154 HD13 LEU 22 HD13 LEU 22 -0.262 8.602 -3.713 155 HD21 LEU 22 HD21 LEU 22 0.815 7.449 -1.571 156 HD22 LEU 22 HD22 LEU 22 2.209 8.394 -2.082 157 HD23 LEU 22 HD23 LEU 22 2.374 6.657 -1.848 158 H VAL 23 H VAL 23 1.796 3.394 -4.912 159 HA VAL 23 HA VAL 23 -0.460 1.528 -4.679 160 HB VAL 23 HB VAL 23 0.974 -0.242 -5.689 161 HG11 VAL 23 HG11 VAL 23 0.450 2.132 -7.469 162 HG12 VAL 23 HG12 VAL 23 -0.702 0.864 -7.056 163 HG13 VAL 23 HG13 VAL 23 0.719 0.483 -8.031 164 HG21 VAL 23 HG21 VAL 23 2.929 0.424 -7.037 165 HG22 VAL 23 HG22 VAL 23 3.162 0.719 -5.313 166 HG23 VAL 23 HG23 VAL 23 2.788 2.061 -6.394 167 H CYS 24 H CYS 24 0.230 -0.508 -3.473 168 HA CYS 24 HA CYS 24 1.694 0.419 -1.170 169 HB2 CYS 24 HB3 CYS 24 -0.498 -0.700 -0.921 170 HB3 CYS 24 HB2 CYS 24 0.196 -2.160 -1.627 171 H SER 25 H SER 25 3.649 -0.237 -0.711 172 HA SER 25 HA SER 25 4.970 -1.970 -2.504 173 HB2 SER 25 HB3 SER 25 6.076 0.071 -1.650 174 HB3 SER 25 HB2 SER 25 6.039 -0.614 -0.027 175 HG SER 25 HG SER 25 8.004 -1.057 -0.859 176 H ARG 26 H ARG 26 6.182 -3.832 -1.670 177 HA ARG 26 HA ARG 26 4.464 -5.285 0.219 178 HB2 ARG 26 HB3 ARG 26 4.722 -6.112 -2.116 179 HB3 ARG 26 HB2 ARG 26 6.440 -6.290 -1.772 180 HG2 ARG 26 HG3 ARG 26 5.918 -7.929 -0.030 181 HG3 ARG 26 HG2 ARG 26 4.204 -7.792 -0.434 182 HD2 ARG 26 HD3 ARG 26 6.392 -8.670 -2.305 183 HD3 ARG 26 HD2 ARG 26 5.243 -9.736 -1.507 184 HE ARG 26 HE ARG 26 3.682 -7.956 -2.862 185 HH11 ARG 26 HH11 ARG 26 6.316 -10.079 -3.865 186 HH12 ARG 26 HH12 ARG 26 5.657 -10.435 -5.385 187 HH21 ARG 26 HH21 ARG 26 2.796 -8.388 -4.941 188 HH22 ARG 26 HH22 ARG 26 3.605 -9.439 -6.027 189 H LYS 27 H LYS 27 7.828 -5.025 -0.763 190 HA LYS 27 HA LYS 27 8.840 -6.448 1.470 191 HB2 LYS 27 HB3 LYS 27 10.231 -4.654 -0.508 192 HB3 LYS 27 HB2 LYS 27 11.045 -5.728 0.616 193 HG2 LYS 27 HG3 LYS 27 9.999 -7.661 -0.477 194 HG3 LYS 27 HG2 LYS 27 9.181 -6.580 -1.597 195 HD2 LYS 27 HD3 LYS 27 12.174 -6.927 -1.327 196 HD3 LYS 27 HD2 LYS 27 11.169 -7.574 -2.623 197 HE2 LYS 27 HE3 LYS 27 10.518 -5.215 -3.172 198 HE3 LYS 27 HE2 LYS 27 11.709 -4.676 -1.996 199 HZ1 LYS 27 HZ1 LYS 27 13.437 -5.761 -3.288 200 HZ2 LYS 27 HZ2 LYS 27 12.587 -4.639 -4.216 201 HZ3 LYS 27 HZ3 LYS 27 12.288 -6.284 -4.414 202 H THR 28 H THR 28 8.285 -3.103 0.745 203 HA THR 28 HA THR 28 9.612 -2.432 3.273 204 HB THR 28 HB THR 28 9.498 -0.045 2.524 205 HG1 THR 28 HG1 THR 28 8.518 0.451 0.783 206 HG21 THR 28 HG21 THR 28 11.520 -1.359 2.208 207 HG22 THR 28 HG22 THR 28 11.282 -0.255 0.850 208 HG23 THR 28 HG23 THR 28 10.896 -1.970 0.676 209 H ARG 29 H ARG 29 6.608 -2.551 1.747 210 HA ARG 29 HA ARG 29 4.513 -2.216 2.305 211 HB2 ARG 29 HB3 ARG 29 5.168 -3.824 4.060 212 HB3 ARG 29 HB2 ARG 29 5.471 -2.477 5.146 213 HG2 ARG 29 HG3 ARG 29 3.129 -1.821 4.987 214 HG3 ARG 29 HG2 ARG 29 2.827 -3.174 3.897 215 HD2 ARG 29 HD3 ARG 29 3.593 -4.702 5.661 216 HD3 ARG 29 HD2 ARG 29 3.737 -3.314 6.749 217 HE ARG 29 HE ARG 29 1.176 -3.429 5.577 218 HH11 ARG 29 HH11 ARG 29 3.102 -4.922 8.121 219 HH12 ARG 29 HH12 ARG 29 1.775 -5.422 9.058 220 HH21 ARG 29 HH21 ARG 29 -0.697 -4.171 6.825 221 HH22 ARG 29 HH22 ARG 29 -0.439 -4.989 8.286 222 H TRP 30 H TRP 30 4.650 -0.118 1.458 223 HA TRP 30 HA TRP 30 3.343 1.791 3.020 224 HB2 TRP 30 HB3 TRP 30 4.954 3.643 2.758 225 HB3 TRP 30 HB2 TRP 30 5.458 2.480 3.950 226 HD1 TRP 30 HD1 TRP 30 6.146 2.831 0.114 227 HE1 TRP 30 HE1 TRP 30 8.681 2.700 -0.261 228 HE3 TRP 30 HE3 TRP 30 7.622 2.274 4.963 229 HZ2 TRP 30 HZ2 TRP 30 11.026 2.433 1.322 230 HZ3 TRP 30 HZ3 TRP 30 10.027 2.102 5.456 231 HH2 TRP 30 HH2 TRP 30 11.690 2.179 3.668 232 H CYS 31 H CYS 31 3.239 3.833 1.728 233 HA CYS 31 HA CYS 31 2.277 2.840 -0.753 234 HB2 CYS 31 HB3 CYS 31 1.791 5.192 0.944 235 HB3 CYS 31 HB2 CYS 31 1.379 5.292 -0.762 236 H LYS 32 H LYS 32 3.545 2.969 -2.396 237 HA LYS 32 HA LYS 32 5.559 5.078 -2.413 238 HB2 LYS 32 HB3 LYS 32 6.801 3.690 -4.042 239 HB3 LYS 32 HB2 LYS 32 6.646 2.974 -2.442 240 HG2 LYS 32 HG3 LYS 32 4.842 1.636 -3.202 241 HG3 LYS 32 HG2 LYS 32 4.958 2.294 -4.826 242 HD2 LYS 32 HD3 LYS 32 7.270 1.429 -5.033 243 HD3 LYS 32 HD2 LYS 32 7.144 0.715 -3.426 244 HE2 LYS 32 HE3 LYS 32 5.321 -0.721 -4.201 245 HE3 LYS 32 HE2 LYS 32 5.406 0.020 -5.794 246 HZ1 LYS 32 HZ1 LYS 32 7.605 -1.530 -4.524 247 HZ2 LYS 32 HZ2 LYS 32 7.623 -0.874 -6.070 248 HZ3 LYS 32 HZ3 LYS 32 6.566 -2.116 -5.704 249 H TRP 33 H TRP 33 5.407 6.591 -3.699 250 HA TRP 33 HA TRP 33 3.758 6.444 -6.085 251 HB2 TRP 33 HB3 TRP 33 4.002 8.826 -6.204 252 HB3 TRP 33 HB2 TRP 33 3.498 8.442 -4.576 253 HD1 TRP 33 HD1 TRP 33 5.865 8.335 -2.818 254 HE1 TRP 33 HE1 TRP 33 7.678 10.185 -2.701 255 HE3 TRP 33 HE3 TRP 33 5.083 10.611 -7.336 256 HZ2 TRP 33 HZ2 TRP 33 8.621 12.292 -4.269 257 HZ3 TRP 33 HZ3 TRP 33 6.474 12.537 -7.938 258 HH2 TRP 33 HH2 TRP 33 8.208 13.359 -6.432 259 H GLN 34 H GLN 34 6.848 6.182 -4.972 260 HA GLN 34 HA GLN 34 8.089 5.315 -7.245 261 HB2 GLN 34 HB3 GLN 34 9.670 7.106 -7.825 262 HB3 GLN 34 HB2 GLN 34 8.041 7.735 -7.972 263 HG2 GLN 34 HG3 GLN 34 8.290 8.891 -5.840 264 HG3 GLN 34 HG2 GLN 34 9.914 8.229 -5.675 265 HE21 GLN 34 HE21 GLN 34 8.540 9.394 -8.704 266 HE22 GLN 34 HE22 GLN 34 9.602 10.743 -8.847 267 H ILE 35 H ILE 35 8.252 6.998 -4.238 268 HA ILE 35 HA ILE 35 9.989 4.948 -3.133 269 HB ILE 35 HB ILE 35 10.989 6.706 -1.651 270 HG12 ILE 35 HG12 ILE 35 9.695 8.665 -3.575 271 HG13 ILE 35 HG11 ILE 35 9.222 8.408 -1.903 272 HG21 ILE 35 HG21 ILE 35 11.527 7.087 -4.590 273 HG22 ILE 35 HG22 ILE 35 12.283 5.905 -3.523 274 HG23 ILE 35 HG23 ILE 35 12.580 7.627 -3.283 275 HD11 ILE 35 HD11 ILE 35 11.867 9.483 -2.845 276 HD12 ILE 35 HD12 ILE 35 11.392 9.237 -1.164 277 HD13 ILE 35 HD13 ILE 35 10.544 10.424 -2.157 278 HN1 NH2 36 HN1 NH2 36 9.698 5.048 -0.692 279 HN2 NH2 36 HN2 NH2 36 8.082 5.309 -0.139 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -7.054 10.039 5.204 2 H2 GLY 1 H2 GLY 1 -8.611 9.397 5.249 3 H3 GLY 1 H3 GLY 1 -8.383 11.077 5.294 4 HA2 GLY 1 HA2 GLY 1 -9.104 10.328 3.115 5 HA3 GLY 1 HA3 GLY 1 -7.487 11.024 3.083 6 H CYS 2 H CYS 2 -6.665 9.851 1.406 7 HA CYS 2 HA CYS 2 -6.843 6.973 1.474 8 HB2 CYS 2 HB3 CYS 2 -5.351 7.184 -0.559 9 HB3 CYS 2 HB2 CYS 2 -6.967 7.822 -0.729 10 H LEU 3 H LEU 3 -4.395 6.169 0.642 11 HA LEU 3 HA LEU 3 -2.872 6.658 3.051 12 HB2 LEU 3 HB3 LEU 3 -2.462 4.588 0.915 13 HB3 LEU 3 HB2 LEU 3 -1.558 4.731 2.394 14 HG LEU 3 HG LEU 3 -4.435 3.905 2.102 15 HD11 LEU 3 HD11 LEU 3 -3.627 1.823 3.125 16 HD12 LEU 3 HD12 LEU 3 -1.991 2.471 3.090 17 HD13 LEU 3 HD13 LEU 3 -2.851 2.171 1.581 18 HD21 LEU 3 HD21 LEU 3 -4.454 3.619 4.548 19 HD22 LEU 3 HD22 LEU 3 -4.235 5.307 4.096 20 HD23 LEU 3 HD23 LEU 3 -2.854 4.354 4.643 21 H GLY 4 H GLY 4 -1.374 8.041 2.975 22 HA2 GLY 4 HA3 GLY 4 -0.113 8.962 0.559 23 HA3 GLY 4 HA2 GLY 4 0.337 9.421 2.200 24 H ILE 5 H ILE 5 2.434 9.205 1.150 25 HA ILE 5 HA ILE 5 3.293 6.734 0.218 26 HB ILE 5 HB ILE 5 4.206 8.769 -0.692 27 HG12 ILE 5 HG13 ILE 5 6.221 7.249 0.883 28 HG13 ILE 5 HG12 ILE 5 5.585 6.832 -0.714 29 HG21 ILE 5 HG21 ILE 5 5.642 10.274 0.560 30 HG22 ILE 5 HG22 ILE 5 5.370 9.337 2.029 31 HG23 ILE 5 HG23 ILE 5 4.032 10.205 1.279 32 HD11 ILE 5 HD11 ILE 5 7.308 9.227 -0.035 33 HD12 ILE 5 HD12 ILE 5 6.603 8.912 -1.613 34 HD13 ILE 5 HD13 ILE 5 7.817 7.809 -0.957 35 H TRP 6 H TRP 6 3.608 8.168 3.282 36 HA TRP 6 HA TRP 6 5.307 5.995 3.992 37 HB2 TRP 6 HB3 TRP 6 4.587 8.449 5.459 38 HB3 TRP 6 HB2 TRP 6 5.601 7.182 6.167 39 HD1 TRP 6 HD1 TRP 6 5.990 10.321 4.524 40 HE1 TRP 6 HE1 TRP 6 8.280 10.549 3.312 41 HE3 TRP 6 HE3 TRP 6 7.348 5.415 4.472 42 HZ2 TRP 6 HZ2 TRP 6 10.351 8.833 2.444 43 HZ3 TRP 6 HZ3 TRP 6 9.461 4.774 3.423 44 HH2 TRP 6 HH2 TRP 6 10.935 6.449 2.430 45 H LYS 7 H LYS 7 2.323 5.984 3.608 46 HA LYS 7 HA LYS 7 1.377 5.369 6.263 47 HB2 LYS 7 HB3 LYS 7 0.111 5.486 3.583 48 HB3 LYS 7 HB2 LYS 7 -0.737 4.841 4.963 49 HG2 LYS 7 HG3 LYS 7 0.408 7.642 4.769 50 HG3 LYS 7 HG2 LYS 7 -1.283 7.219 4.507 51 HD2 LYS 7 HD3 LYS 7 0.220 6.812 7.104 52 HD3 LYS 7 HD2 LYS 7 -0.870 8.146 6.753 53 HE2 LYS 7 HE3 LYS 7 -2.728 6.613 6.472 54 HE3 LYS 7 HE2 LYS 7 -1.649 5.241 6.698 55 HZ1 LYS 7 HZ1 LYS 7 -2.301 7.300 8.730 56 HZ2 LYS 7 HZ2 LYS 7 -1.208 6.027 8.933 57 HZ3 LYS 7 HZ3 LYS 7 -2.837 5.692 8.713 58 H ALA 8 H ALA 8 0.549 3.405 6.883 59 HA ALA 8 HA ALA 8 2.040 1.197 5.755 60 HB1 ALA 8 HB1 ALA 8 1.344 -0.035 7.740 61 HB2 ALA 8 HB2 ALA 8 0.284 1.295 8.204 62 HB3 ALA 8 HB3 ALA 8 2.033 1.528 8.184 63 H CYS 9 H CYS 9 1.143 0.340 4.044 64 HA CYS 9 HA CYS 9 -1.737 0.034 3.853 65 HB2 CYS 9 HB3 CYS 9 -1.117 -0.767 1.575 66 HB3 CYS 9 HB2 CYS 9 -0.771 0.916 1.892 67 H ASN 10 H ASN 10 -2.093 -2.084 2.385 68 HA ASN 10 HA ASN 10 -1.032 -4.321 3.910 69 HB2 ASN 10 HB3 ASN 10 -3.669 -3.824 2.573 70 HB3 ASN 10 HB2 ASN 10 -3.113 -5.437 2.954 71 HD21 ASN 10 HD21 ASN 10 -4.688 -5.879 4.456 72 HD22 ASN 10 HD22 ASN 10 -4.849 -5.050 5.959 73 HA PRO 11 HA PRO 11 1.149 -4.871 -0.078 74 HB2 PRO 11 HB3 PRO 11 1.657 -7.388 1.446 75 HB3 PRO 11 HB2 PRO 11 2.765 -6.438 0.450 76 HG2 PRO 11 HG3 PRO 11 2.899 -6.203 3.061 77 HG3 PRO 11 HG2 PRO 11 2.937 -4.736 2.062 78 HD2 PRO 11 HD3 PRO 11 0.698 -5.865 3.680 79 HD3 PRO 11 HD2 PRO 11 1.159 -4.169 3.425 80 H SER 12 H SER 12 -0.868 -7.271 1.509 81 HA SER 12 HA SER 12 -1.277 -8.729 -0.962 82 HB2 SER 12 HB3 SER 12 -1.012 -9.950 1.178 83 HB3 SER 12 HB2 SER 12 -2.493 -9.194 1.765 84 HG SER 12 HG SER 12 -3.343 -10.164 -0.336 85 H ASN 13 H ASN 13 -2.611 -5.921 0.120 86 HA ASN 13 HA ASN 13 -4.906 -6.308 -1.536 87 HB2 ASN 13 HB3 ASN 13 -5.816 -6.991 0.679 88 HB3 ASN 13 HB2 ASN 13 -5.276 -5.463 1.364 89 HD21 ASN 13 HD21 ASN 13 -7.361 -4.910 1.957 90 HD22 ASN 13 HD22 ASN 13 -8.550 -4.392 0.837 91 H ASP 14 H ASP 14 -3.518 -5.005 -2.676 92 HA ASP 14 HA ASP 14 -2.663 -2.525 -1.673 93 HB2 ASP 14 HB3 ASP 14 -1.274 -3.451 -3.308 94 HB3 ASP 14 HB2 ASP 14 -2.646 -3.728 -4.393 95 H GLN 15 H GLN 15 -3.909 -0.909 -1.395 96 HA GLN 15 HA GLN 15 -5.654 -0.185 -3.569 97 HB2 GLN 15 HB3 GLN 15 -7.360 0.730 -2.033 98 HB3 GLN 15 HB2 GLN 15 -7.141 -1.007 -1.894 99 HG2 GLN 15 HG3 GLN 15 -5.925 -0.710 0.188 100 HG3 GLN 15 HG2 GLN 15 -6.081 1.043 0.047 101 HE21 GLN 15 HE21 GLN 15 -8.816 0.816 -1.005 102 HE22 GLN 15 HE22 GLN 15 -9.817 0.411 0.329 103 H CYS 16 H CYS 16 -4.384 1.240 -0.572 104 HA CYS 16 HA CYS 16 -3.501 3.244 -0.101 105 HB2 CYS 16 HB3 CYS 16 -1.630 2.016 -1.200 106 HB3 CYS 16 HB2 CYS 16 -2.036 2.798 -2.731 107 H CYS 17 H CYS 17 -2.552 5.292 -1.953 108 HA CYS 17 HA CYS 17 -5.165 6.447 -2.582 109 HB2 CYS 17 HB3 CYS 17 -3.163 7.714 -1.371 110 HB3 CYS 17 HB2 CYS 17 -2.646 7.870 -3.046 111 H LYS 18 H LYS 18 -5.794 5.803 -4.421 112 HA LYS 18 HA LYS 18 -4.032 5.235 -6.622 113 HB2 LYS 18 HB3 LYS 18 -7.044 5.389 -6.563 114 HB3 LYS 18 HB2 LYS 18 -6.079 4.744 -7.885 115 HG2 LYS 18 HG3 LYS 18 -5.242 2.983 -6.443 116 HG3 LYS 18 HG2 LYS 18 -6.163 3.631 -5.088 117 HD2 LYS 18 HD3 LYS 18 -8.231 3.258 -6.361 118 HD3 LYS 18 HD2 LYS 18 -7.279 2.538 -7.660 119 HE2 LYS 18 HE3 LYS 18 -7.434 1.551 -4.819 120 HE3 LYS 18 HE2 LYS 18 -8.249 0.835 -6.207 121 HZ1 LYS 18 HZ1 LYS 18 -6.261 -0.370 -5.686 122 HZ2 LYS 18 HZ2 LYS 18 -5.298 1.006 -5.813 123 HZ3 LYS 18 HZ3 LYS 18 -6.072 0.376 -7.178 124 H SER 19 H SER 19 -5.909 7.850 -5.519 125 HA SER 19 HA SER 19 -5.928 9.332 -7.922 126 HB2 SER 19 HB3 SER 19 -6.219 10.290 -5.071 127 HB3 SER 19 HB2 SER 19 -6.670 11.196 -6.518 128 HG SER 19 HG SER 19 -8.263 9.798 -5.231 129 H SER 20 H SER 20 -3.491 8.823 -5.435 130 HA SER 20 HA SER 20 -1.925 11.008 -6.591 131 HB2 SER 20 HB3 SER 20 -1.432 9.381 -4.117 132 HB3 SER 20 HB2 SER 20 -0.520 10.801 -4.654 133 HG SER 20 HG SER 20 -3.092 11.478 -4.565 134 H LYS 21 H LYS 21 -2.576 7.970 -7.175 135 HA LYS 21 HA LYS 21 -1.736 6.343 -8.333 136 HB2 LYS 21 HB3 LYS 21 0.527 8.242 -8.943 137 HB3 LYS 21 HB2 LYS 21 0.142 6.786 -9.856 138 HG2 LYS 21 HG3 LYS 21 -1.623 9.178 -9.515 139 HG3 LYS 21 HG2 LYS 21 -0.642 8.850 -10.951 140 HD2 LYS 21 HD3 LYS 21 -1.923 6.748 -11.293 141 HD3 LYS 21 HD2 LYS 21 -2.911 7.147 -9.889 142 HE2 LYS 21 HE3 LYS 21 -4.090 7.753 -11.910 143 HE3 LYS 21 HE2 LYS 21 -3.650 9.200 -11.008 144 HZ1 LYS 21 HZ1 LYS 21 -3.238 9.490 -13.350 145 HZ2 LYS 21 HZ2 LYS 21 -2.252 8.141 -13.404 146 HZ3 LYS 21 HZ3 LYS 21 -1.769 9.504 -12.534 147 H LEU 22 H LEU 22 -1.177 6.151 -5.568 148 HA LEU 22 HA LEU 22 1.544 5.314 -5.356 149 HB2 LEU 22 HB3 LEU 22 -0.571 5.844 -3.312 150 HB3 LEU 22 HB2 LEU 22 1.106 5.495 -3.038 151 HG LEU 22 HG LEU 22 0.071 8.021 -4.325 152 HD11 LEU 22 HD11 LEU 22 -0.470 7.919 -1.958 153 HD12 LEU 22 HD12 LEU 22 0.784 9.119 -2.262 154 HD13 LEU 22 HD13 LEU 22 1.212 7.552 -1.577 155 HD21 LEU 22 HD21 LEU 22 2.291 7.424 -5.139 156 HD22 LEU 22 HD22 LEU 22 2.858 7.264 -3.473 157 HD23 LEU 22 HD23 LEU 22 2.345 8.839 -4.086 158 H VAL 23 H VAL 23 1.815 3.279 -4.932 159 HA VAL 23 HA VAL 23 -0.509 1.520 -4.529 160 HB VAL 23 HB VAL 23 0.676 -0.282 -5.667 161 HG11 VAL 23 HG11 VAL 23 -0.769 1.117 -6.996 162 HG12 VAL 23 HG12 VAL 23 0.593 0.543 -7.962 163 HG13 VAL 23 HG13 VAL 23 0.571 2.202 -7.357 164 HG21 VAL 23 HG21 VAL 23 2.828 1.745 -6.228 165 HG22 VAL 23 HG22 VAL 23 2.744 0.131 -6.930 166 HG23 VAL 23 HG23 VAL 23 2.951 0.330 -5.184 167 H CYS 24 H CYS 24 0.045 -0.442 -3.323 168 HA CYS 24 HA CYS 24 1.628 0.274 -1.055 169 HB2 CYS 24 HB3 CYS 24 -0.490 -0.951 -0.842 170 HB3 CYS 24 HB2 CYS 24 0.243 -2.331 -1.659 171 H SER 25 H SER 25 3.537 -0.487 -0.398 172 HA SER 25 HA SER 25 5.088 -1.981 -2.220 173 HB2 SER 25 HB3 SER 25 6.133 -0.024 -1.228 174 HB3 SER 25 HB2 SER 25 5.822 -0.648 0.393 175 HG SER 25 HG SER 25 7.934 -1.029 -1.103 176 H ARG 26 H ARG 26 5.848 -3.902 -1.789 177 HA ARG 26 HA ARG 26 4.703 -5.489 0.412 178 HB2 ARG 26 HB3 ARG 26 4.126 -6.001 -2.018 179 HB3 ARG 26 HB2 ARG 26 5.843 -6.329 -2.209 180 HG2 ARG 26 HG3 ARG 26 4.140 -7.895 -0.275 181 HG3 ARG 26 HG2 ARG 26 4.275 -8.367 -1.969 182 HD2 ARG 26 HD3 ARG 26 6.471 -8.195 0.095 183 HD3 ARG 26 HD2 ARG 26 5.837 -9.658 -0.664 184 HE ARG 26 HE ARG 26 6.659 -8.357 -2.787 185 HH11 ARG 26 HH11 ARG 26 8.367 -8.812 0.272 186 HH12 ARG 26 HH12 ARG 26 9.917 -8.716 -0.436 187 HH21 ARG 26 HH21 ARG 26 8.759 -8.152 -3.719 188 HH22 ARG 26 HH22 ARG 26 10.152 -8.308 -2.763 189 H LYS 27 H LYS 27 7.428 -4.287 -1.295 190 HA LYS 27 HA LYS 27 9.479 -5.938 -0.347 191 HB2 LYS 27 HB3 LYS 27 9.535 -3.016 -1.138 192 HB3 LYS 27 HB2 LYS 27 10.964 -4.002 -0.882 193 HG2 LYS 27 HG3 LYS 27 10.334 -5.432 -2.754 194 HG3 LYS 27 HG2 LYS 27 8.867 -4.486 -3.000 195 HD2 LYS 27 HD3 LYS 27 10.253 -2.491 -3.428 196 HD3 LYS 27 HD2 LYS 27 11.704 -3.465 -3.222 197 HE2 LYS 27 HE3 LYS 27 9.586 -3.851 -5.337 198 HE3 LYS 27 HE2 LYS 27 11.162 -3.112 -5.589 199 HZ1 LYS 27 HZ1 LYS 27 10.618 -5.947 -4.865 200 HZ2 LYS 27 HZ2 LYS 27 12.158 -5.272 -4.939 201 HZ3 LYS 27 HZ3 LYS 27 11.224 -5.373 -6.322 202 H THR 28 H THR 28 7.557 -3.547 1.086 203 HA THR 28 HA THR 28 8.681 -4.216 3.637 204 HB THR 28 HB THR 28 8.533 -1.286 2.930 205 HG1 THR 28 HG1 THR 28 10.473 -3.127 2.579 206 HG21 THR 28 HG21 THR 28 9.670 -0.951 5.098 207 HG22 THR 28 HG22 THR 28 9.627 -2.691 5.381 208 HG23 THR 28 HG23 THR 28 8.123 -1.773 5.308 209 H ARG 29 H ARG 29 6.818 -1.354 3.192 210 HA ARG 29 HA ARG 29 4.231 -2.148 3.153 211 HB2 ARG 29 HB3 ARG 29 4.853 -3.357 5.271 212 HB3 ARG 29 HB2 ARG 29 5.167 -1.787 5.983 213 HG2 ARG 29 HG3 ARG 29 2.865 -1.133 5.563 214 HG3 ARG 29 HG2 ARG 29 2.535 -2.749 4.918 215 HD2 ARG 29 HD3 ARG 29 3.297 -3.702 7.043 216 HD3 ARG 29 HD2 ARG 29 3.501 -2.063 7.653 217 HE ARG 29 HE ARG 29 0.853 -2.528 6.705 218 HH11 ARG 29 HH11 ARG 29 2.988 -3.100 9.492 219 HH12 ARG 29 HH12 ARG 29 1.728 -3.220 10.627 220 HH21 ARG 29 HH21 ARG 29 -0.906 -2.665 8.312 221 HH22 ARG 29 HH22 ARG 29 -0.514 -2.921 9.948 222 H TRP 30 H TRP 30 4.456 -0.186 2.012 223 HA TRP 30 HA TRP 30 3.426 2.058 3.249 224 HB2 TRP 30 HB3 TRP 30 5.220 3.682 2.689 225 HB3 TRP 30 HB2 TRP 30 5.622 2.707 4.071 226 HD1 TRP 30 HD1 TRP 30 6.338 2.517 0.235 227 HE1 TRP 30 HE1 TRP 30 8.836 2.003 -0.092 228 HE3 TRP 30 HE3 TRP 30 7.725 2.183 5.140 229 HZ2 TRP 30 HZ2 TRP 30 11.107 1.520 1.534 230 HZ3 TRP 30 HZ3 TRP 30 10.078 1.702 5.673 231 HH2 TRP 30 HH2 TRP 30 11.731 1.379 3.903 232 H CYS 31 H CYS 31 3.623 3.863 1.532 233 HA CYS 31 HA CYS 31 2.791 2.374 -0.731 234 HB2 CYS 31 HB3 CYS 31 2.190 5.064 0.334 235 HB3 CYS 31 HB2 CYS 31 1.887 4.699 -1.361 236 H LYS 32 H LYS 32 3.570 2.683 -2.700 237 HA LYS 32 HA LYS 32 6.272 3.669 -2.864 238 HB2 LYS 32 HB3 LYS 32 4.524 2.354 -4.945 239 HB3 LYS 32 HB2 LYS 32 6.232 2.736 -5.111 240 HG2 LYS 32 HG3 LYS 32 6.768 1.207 -3.353 241 HG3 LYS 32 HG2 LYS 32 5.065 0.854 -3.106 242 HD2 LYS 32 HD3 LYS 32 6.143 -0.925 -4.453 243 HD3 LYS 32 HD2 LYS 32 4.910 -0.084 -5.383 244 HE2 LYS 32 HE3 LYS 32 6.690 1.282 -6.439 245 HE3 LYS 32 HE2 LYS 32 7.896 0.351 -5.549 246 HZ1 LYS 32 HZ1 LYS 32 5.990 -0.720 -7.569 247 HZ2 LYS 32 HZ2 LYS 32 7.125 -1.637 -6.712 248 HZ3 LYS 32 HZ3 LYS 32 7.638 -0.462 -7.785 249 H TRP 33 H TRP 33 6.780 5.451 -3.798 250 HA TRP 33 HA TRP 33 4.722 7.303 -4.508 251 HB2 TRP 33 HB3 TRP 33 6.959 7.845 -3.347 252 HB3 TRP 33 HB2 TRP 33 7.682 7.706 -4.943 253 HD1 TRP 33 HD1 TRP 33 4.251 9.329 -4.550 254 HE1 TRP 33 HE1 TRP 33 4.414 11.794 -5.097 255 HE3 TRP 33 HE3 TRP 33 9.336 9.714 -4.917 256 HZ2 TRP 33 HZ2 TRP 33 6.429 13.708 -5.575 257 HZ3 TRP 33 HZ3 TRP 33 10.298 11.928 -5.411 258 HH2 TRP 33 HH2 TRP 33 8.864 13.879 -5.736 259 H GLN 34 H GLN 34 4.305 8.130 -6.568 260 HA GLN 34 HA GLN 34 4.504 6.274 -8.661 261 HB2 GLN 34 HB3 GLN 34 3.549 8.057 -10.093 262 HB3 GLN 34 HB2 GLN 34 2.663 7.829 -8.594 263 HG2 GLN 34 HG3 GLN 34 3.673 9.806 -7.648 264 HG3 GLN 34 HG2 GLN 34 4.693 9.980 -9.077 265 HE21 GLN 34 HE21 GLN 34 1.480 10.303 -7.805 266 HE22 GLN 34 HE22 GLN 34 0.855 11.216 -9.118 267 H ILE 35 H ILE 35 6.481 8.982 -7.763 268 HA ILE 35 HA ILE 35 8.119 8.712 -10.146 269 HB ILE 35 HB ILE 35 8.437 10.599 -7.777 270 HG12 ILE 35 HG12 ILE 35 7.259 11.142 -10.519 271 HG13 ILE 35 HG11 ILE 35 6.348 10.998 -9.021 272 HG21 ILE 35 HG21 ILE 35 10.532 10.218 -8.969 273 HG22 ILE 35 HG22 ILE 35 9.941 11.853 -9.273 274 HG23 ILE 35 HG23 ILE 35 9.750 10.605 -10.503 275 HD11 ILE 35 HD11 ILE 35 7.438 12.973 -8.142 276 HD12 ILE 35 HD12 ILE 35 6.659 13.319 -9.690 277 HD13 ILE 35 HD13 ILE 35 8.407 13.100 -9.607 278 HN1 NH2 36 HN1 NH2 36 9.196 6.859 -9.929 279 HN2 NH2 36 HN2 NH2 36 10.165 6.385 -8.584 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -10.586 6.836 -1.430 2 H2 GLY 1 H2 GLY 1 -10.280 8.384 -2.018 3 H3 GLY 1 H3 GLY 1 -11.543 8.138 -0.901 4 HA2 GLY 1 HA2 GLY 1 -9.631 9.125 0.136 5 HA3 GLY 1 HA3 GLY 1 -9.947 7.505 0.756 6 H CYS 2 H CYS 2 -7.488 8.594 1.049 7 HA CYS 2 HA CYS 2 -5.899 6.811 -0.598 8 HB2 CYS 2 HB3 CYS 2 -5.211 9.719 -0.150 9 HB3 CYS 2 HB2 CYS 2 -4.160 8.538 -0.852 10 H LEU 3 H LEU 3 -3.626 6.830 0.334 11 HA LEU 3 HA LEU 3 -3.736 6.968 3.248 12 HB2 LEU 3 HB3 LEU 3 -2.298 5.048 1.420 13 HB3 LEU 3 HB2 LEU 3 -1.991 5.177 3.135 14 HG LEU 3 HG LEU 3 -4.597 4.313 1.874 15 HD11 LEU 3 HD11 LEU 3 -2.818 2.651 1.629 16 HD12 LEU 3 HD12 LEU 3 -4.047 2.113 2.773 17 HD13 LEU 3 HD13 LEU 3 -2.507 2.736 3.364 18 HD21 LEU 3 HD21 LEU 3 -5.253 3.723 4.170 19 HD22 LEU 3 HD22 LEU 3 -4.979 5.452 3.994 20 HD23 LEU 3 HD23 LEU 3 -3.761 4.441 4.774 21 H GLY 4 H GLY 4 -1.181 6.710 3.761 22 HA2 GLY 4 HA3 GLY 4 -0.013 9.109 2.507 23 HA3 GLY 4 HA2 GLY 4 0.305 8.586 4.166 24 H ILE 5 H ILE 5 2.257 9.124 2.349 25 HA ILE 5 HA ILE 5 3.040 6.811 0.984 26 HB ILE 5 HB ILE 5 3.696 8.874 0.028 27 HG12 ILE 5 HG13 ILE 5 6.040 7.633 1.362 28 HG13 ILE 5 HG12 ILE 5 5.306 7.130 -0.164 29 HG21 ILE 5 HG21 ILE 5 5.101 10.541 1.127 30 HG22 ILE 5 HG22 ILE 5 5.007 9.630 2.635 31 HG23 ILE 5 HG23 ILE 5 3.549 10.343 1.936 32 HD11 ILE 5 HD11 ILE 5 7.380 8.374 -0.568 33 HD12 ILE 5 HD12 ILE 5 6.747 9.735 0.355 34 HD13 ILE 5 HD13 ILE 5 5.990 9.279 -1.172 35 H TRP 6 H TRP 6 3.652 8.026 4.068 36 HA TRP 6 HA TRP 6 5.785 6.189 4.493 37 HB2 TRP 6 HB3 TRP 6 4.490 8.163 6.315 38 HB3 TRP 6 HB2 TRP 6 5.899 7.188 6.739 39 HD1 TRP 6 HD1 TRP 6 5.013 10.433 5.292 40 HE1 TRP 6 HE1 TRP 6 7.063 11.553 4.186 41 HE3 TRP 6 HE3 TRP 6 8.116 6.422 5.204 42 HZ2 TRP 6 HZ2 TRP 6 9.679 10.784 3.391 43 HZ3 TRP 6 HZ3 TRP 6 10.346 6.662 4.259 44 HH2 TRP 6 HH2 TRP 6 11.123 8.812 3.364 45 H LYS 7 H LYS 7 2.586 5.662 4.318 46 HA LYS 7 HA LYS 7 2.274 4.509 6.936 47 HB2 LYS 7 HB3 LYS 7 0.313 5.136 4.777 48 HB3 LYS 7 HB2 LYS 7 -0.077 4.368 6.298 49 HG2 LYS 7 HG3 LYS 7 0.776 6.348 7.510 50 HG3 LYS 7 HG2 LYS 7 1.093 7.125 5.964 51 HD2 LYS 7 HD3 LYS 7 -1.332 7.000 5.453 52 HD3 LYS 7 HD2 LYS 7 -1.600 6.303 7.053 53 HE2 LYS 7 HE3 LYS 7 -0.670 8.300 8.088 54 HE3 LYS 7 HE2 LYS 7 -0.367 8.994 6.499 55 HZ1 LYS 7 HZ1 LYS 7 -2.760 9.005 6.102 56 HZ2 LYS 7 HZ2 LYS 7 -2.346 9.875 7.481 57 HZ3 LYS 7 HZ3 LYS 7 -3.025 8.344 7.637 58 H ALA 8 H ALA 8 1.878 2.504 7.264 59 HA ALA 8 HA ALA 8 2.771 0.628 5.252 60 HB1 ALA 8 HB1 ALA 8 3.644 0.463 7.530 61 HB2 ALA 8 HB2 ALA 8 2.765 -0.998 7.079 62 HB3 ALA 8 HB3 ALA 8 2.012 0.192 8.139 63 H CYS 9 H CYS 9 1.360 -0.114 3.900 64 HA CYS 9 HA CYS 9 -1.427 -0.472 4.675 65 HB2 CYS 9 HB3 CYS 9 -1.584 -0.718 2.124 66 HB3 CYS 9 HB2 CYS 9 -1.410 0.883 2.806 67 H ASN 10 H ASN 10 -2.284 -2.293 2.851 68 HA ASN 10 HA ASN 10 -0.715 -4.628 3.566 69 HB2 ASN 10 HB3 ASN 10 -3.631 -4.235 3.007 70 HB3 ASN 10 HB2 ASN 10 -2.869 -5.807 3.036 71 HD21 ASN 10 HD21 ASN 10 -5.013 -5.031 4.641 72 HD22 ASN 10 HD22 ASN 10 -4.504 -5.010 6.289 73 HA PRO 11 HA PRO 11 0.137 -4.549 -0.920 74 HB2 PRO 11 HB3 PRO 11 1.155 -7.222 -0.082 75 HB3 PRO 11 HB2 PRO 11 1.925 -6.003 -1.097 76 HG2 PRO 11 HG3 PRO 11 2.743 -6.316 1.385 77 HG3 PRO 11 HG2 PRO 11 2.520 -4.679 0.737 78 HD2 PRO 11 HD3 PRO 11 0.767 -6.254 2.560 79 HD3 PRO 11 HD2 PRO 11 1.194 -4.528 2.623 80 H SER 12 H SER 12 -1.160 -7.144 0.974 81 HA SER 12 HA SER 12 -2.287 -8.700 -1.110 82 HB2 SER 12 HB3 SER 12 -1.774 -9.501 1.198 83 HB3 SER 12 HB2 SER 12 -3.124 -8.542 1.789 84 HG SER 12 HG SER 12 -3.083 -10.915 0.359 85 H ASN 13 H ASN 13 -3.300 -5.779 0.431 86 HA ASN 13 HA ASN 13 -5.935 -5.948 -0.864 87 HB2 ASN 13 HB3 ASN 13 -5.376 -4.739 1.876 88 HB3 ASN 13 HB2 ASN 13 -6.923 -4.743 1.048 89 HD21 ASN 13 HD21 ASN 13 -8.108 -6.702 0.948 90 HD22 ASN 13 HD22 ASN 13 -7.744 -8.011 2.005 91 H ASP 14 H ASP 14 -3.616 -4.966 -1.921 92 HA ASP 14 HA ASP 14 -2.816 -2.438 -1.337 93 HB2 ASP 14 HB3 ASP 14 -1.489 -3.609 -2.899 94 HB3 ASP 14 HB2 ASP 14 -2.861 -3.907 -3.962 95 H GLN 15 H GLN 15 -3.715 -0.579 -1.421 96 HA GLN 15 HA GLN 15 -5.754 0.051 -3.387 97 HB2 GLN 15 HB3 GLN 15 -6.965 -0.702 -1.383 98 HB3 GLN 15 HB2 GLN 15 -6.088 0.460 -0.410 99 HG2 GLN 15 HG3 GLN 15 -7.100 2.273 -1.632 100 HG3 GLN 15 HG2 GLN 15 -8.000 1.132 -2.634 101 HE21 GLN 15 HE21 GLN 15 -10.013 1.877 -1.921 102 HE22 GLN 15 HE22 GLN 15 -10.590 1.576 -0.329 103 H CYS 16 H CYS 16 -4.632 1.674 -0.444 104 HA CYS 16 HA CYS 16 -3.700 3.701 -0.083 105 HB2 CYS 16 HB3 CYS 16 -1.795 2.305 -0.954 106 HB3 CYS 16 HB2 CYS 16 -2.091 3.005 -2.543 107 H CYS 17 H CYS 17 -2.561 5.316 -2.424 108 HA CYS 17 HA CYS 17 -5.104 6.651 -2.968 109 HB2 CYS 17 HB3 CYS 17 -2.920 7.819 -2.123 110 HB3 CYS 17 HB2 CYS 17 -2.475 7.617 -3.811 111 H LYS 18 H LYS 18 -6.030 5.966 -4.729 112 HA LYS 18 HA LYS 18 -4.593 5.015 -7.058 113 HB2 LYS 18 HB3 LYS 18 -7.511 5.681 -6.650 114 HB3 LYS 18 HB2 LYS 18 -6.850 5.051 -8.146 115 HG2 LYS 18 HG3 LYS 18 -6.255 2.997 -7.085 116 HG3 LYS 18 HG2 LYS 18 -6.736 3.621 -5.503 117 HD2 LYS 18 HD3 LYS 18 -9.038 3.846 -6.284 118 HD3 LYS 18 HD2 LYS 18 -8.563 3.271 -7.881 119 HE2 LYS 18 HE3 LYS 18 -9.642 1.535 -6.495 120 HE3 LYS 18 HE2 LYS 18 -8.003 1.110 -6.982 121 HZ1 LYS 18 HZ1 LYS 18 -7.205 1.622 -4.871 122 HZ2 LYS 18 HZ2 LYS 18 -8.588 0.653 -4.633 123 HZ3 LYS 18 HZ3 LYS 18 -8.666 2.329 -4.381 124 H SER 19 H SER 19 -6.037 7.866 -5.907 125 HA SER 19 HA SER 19 -6.251 9.401 -8.226 126 HB2 SER 19 HB3 SER 19 -5.751 10.384 -5.418 127 HB3 SER 19 HB2 SER 19 -6.584 11.234 -6.722 128 HG SER 19 HG SER 19 -8.331 10.171 -6.306 129 H SER 20 H SER 20 -3.484 8.703 -6.151 130 HA SER 20 HA SER 20 -1.893 10.635 -7.695 131 HB2 SER 20 HB3 SER 20 -2.104 11.148 -5.319 132 HB3 SER 20 HB2 SER 20 -1.457 9.536 -4.960 133 HG SER 20 HG SER 20 0.355 10.475 -6.449 134 H LYS 21 H LYS 21 -2.656 7.543 -7.633 135 HA LYS 21 HA LYS 21 -1.820 5.674 -8.475 136 HB2 LYS 21 HB3 LYS 21 0.455 7.407 -9.398 137 HB3 LYS 21 HB2 LYS 21 0.036 5.820 -10.034 138 HG2 LYS 21 HG3 LYS 21 -1.704 8.220 -10.066 139 HG3 LYS 21 HG2 LYS 21 -0.717 7.739 -11.461 140 HD2 LYS 21 HD3 LYS 21 -3.018 6.207 -10.191 141 HD3 LYS 21 HD2 LYS 21 -3.034 6.982 -11.767 142 HE2 LYS 21 HE3 LYS 21 -1.333 4.605 -10.966 143 HE3 LYS 21 HE2 LYS 21 -2.776 4.555 -11.962 144 HZ1 LYS 21 HZ1 LYS 21 -1.588 5.951 -13.606 145 HZ2 LYS 21 HZ2 LYS 21 -0.893 4.462 -13.360 146 HZ3 LYS 21 HZ3 LYS 21 -0.171 5.821 -12.684 147 H LEU 22 H LEU 22 -1.238 6.095 -5.729 148 HA LEU 22 HA LEU 22 1.506 5.348 -5.406 149 HB2 LEU 22 HB3 LEU 22 -0.652 5.897 -3.416 150 HB3 LEU 22 HB2 LEU 22 1.055 5.763 -3.114 151 HG LEU 22 HG LEU 22 -0.332 8.013 -4.555 152 HD11 LEU 22 HD11 LEU 22 1.075 7.947 -1.893 153 HD12 LEU 22 HD12 LEU 22 -0.664 8.066 -2.156 154 HD13 LEU 22 HD13 LEU 22 0.395 9.382 -2.660 155 HD21 LEU 22 HD21 LEU 22 2.608 7.691 -3.946 156 HD22 LEU 22 HD22 LEU 22 1.852 9.142 -4.606 157 HD23 LEU 22 HD23 LEU 22 1.865 7.650 -5.545 158 H VAL 23 H VAL 23 1.834 3.418 -5.093 159 HA VAL 23 HA VAL 23 -0.322 1.404 -4.760 160 HB VAL 23 HB VAL 23 2.465 0.962 -5.832 161 HG11 VAL 23 HG11 VAL 23 1.541 -1.082 -5.012 162 HG12 VAL 23 HG12 VAL 23 1.544 -1.146 -6.776 163 HG13 VAL 23 HG13 VAL 23 0.047 -0.822 -5.902 164 HG21 VAL 23 HG21 VAL 23 1.466 0.867 -8.091 165 HG22 VAL 23 HG22 VAL 23 1.317 2.458 -7.342 166 HG23 VAL 23 HG23 VAL 23 -0.075 1.377 -7.398 167 H CYS 24 H CYS 24 0.136 -0.378 -3.350 168 HA CYS 24 HA CYS 24 1.667 0.431 -1.062 169 HB2 CYS 24 HB3 CYS 24 -0.583 -0.650 -0.941 170 HB3 CYS 24 HB2 CYS 24 0.169 -2.144 -1.500 171 H SER 25 H SER 25 3.558 -0.307 -0.487 172 HA SER 25 HA SER 25 5.008 -2.043 -2.178 173 HB2 SER 25 HB3 SER 25 6.185 -0.104 -1.404 174 HB3 SER 25 HB2 SER 25 5.782 -0.457 0.274 175 HG SER 25 HG SER 25 7.790 -1.405 -1.304 176 H ARG 26 H ARG 26 5.978 -3.909 -1.431 177 HA ARG 26 HA ARG 26 4.719 -5.259 0.886 178 HB2 ARG 26 HB3 ARG 26 4.445 -6.155 -1.476 179 HB3 ARG 26 HB2 ARG 26 6.198 -6.376 -1.410 180 HG2 ARG 26 HG3 ARG 26 5.913 -7.889 0.529 181 HG3 ARG 26 HG2 ARG 26 4.162 -7.764 0.334 182 HD2 ARG 26 HD3 ARG 26 4.953 -9.780 -0.737 183 HD3 ARG 26 HD2 ARG 26 4.395 -8.638 -1.964 184 HE ARG 26 HE ARG 26 7.181 -8.453 -1.354 185 HH11 ARG 26 HH11 ARG 26 4.847 -10.180 -3.374 186 HH12 ARG 26 HH12 ARG 26 5.982 -10.509 -4.615 187 HH21 ARG 26 HH21 ARG 26 8.731 -8.939 -3.058 188 HH22 ARG 26 HH22 ARG 26 8.204 -9.817 -4.407 189 H LYS 27 H LYS 27 7.598 -4.677 -1.014 190 HA LYS 27 HA LYS 27 9.470 -6.111 0.503 191 HB2 LYS 27 HB3 LYS 27 9.907 -3.694 -1.243 192 HB3 LYS 27 HB2 LYS 27 11.152 -4.806 -0.697 193 HG2 LYS 27 HG3 LYS 27 10.056 -6.615 -1.967 194 HG3 LYS 27 HG2 LYS 27 8.867 -5.456 -2.556 195 HD2 LYS 27 HD3 LYS 27 11.853 -5.313 -3.033 196 HD3 LYS 27 HD2 LYS 27 10.658 -5.862 -4.202 197 HE2 LYS 27 HE3 LYS 27 9.613 -3.633 -4.160 198 HE3 LYS 27 HE2 LYS 27 10.830 -3.097 -3.002 199 HZ1 LYS 27 HZ1 LYS 27 11.378 -4.015 -5.775 200 HZ2 LYS 27 HZ2 LYS 27 12.534 -3.516 -4.672 201 HZ3 LYS 27 HZ3 LYS 27 11.402 -2.423 -5.242 202 H THR 28 H THR 28 8.267 -2.888 0.674 203 HA THR 28 HA THR 28 9.927 -2.493 3.102 204 HB THR 28 HB THR 28 8.908 -0.228 1.431 205 HG1 THR 28 HG1 THR 28 11.162 -1.908 1.143 206 HG21 THR 28 HG21 THR 28 9.711 0.283 3.700 207 HG22 THR 28 HG22 THR 28 10.794 0.964 2.486 208 HG23 THR 28 HG23 THR 28 11.243 -0.513 3.338 209 H ARG 29 H ARG 29 6.827 -2.400 1.714 210 HA ARG 29 HA ARG 29 4.771 -2.085 2.358 211 HB2 ARG 29 HB3 ARG 29 5.416 -3.792 4.031 212 HB3 ARG 29 HB2 ARG 29 5.726 -2.496 5.181 213 HG2 ARG 29 HG3 ARG 29 3.372 -1.793 4.954 214 HG3 ARG 29 HG2 ARG 29 3.094 -3.183 3.902 215 HD2 ARG 29 HD3 ARG 29 3.919 -4.628 5.726 216 HD3 ARG 29 HD2 ARG 29 3.971 -3.199 6.757 217 HE ARG 29 HE ARG 29 1.459 -3.900 5.451 218 HH11 ARG 29 HH11 ARG 29 3.265 -3.492 8.463 219 HH12 ARG 29 HH12 ARG 29 1.927 -3.800 9.466 220 HH21 ARG 29 HH21 ARG 29 -0.370 -4.367 6.829 221 HH22 ARG 29 HH22 ARG 29 -0.191 -4.303 8.529 222 H TRP 30 H TRP 30 4.618 -0.100 1.667 223 HA TRP 30 HA TRP 30 3.508 1.827 3.302 224 HB2 TRP 30 HB3 TRP 30 5.066 3.683 2.893 225 HB3 TRP 30 HB2 TRP 30 5.746 2.522 3.991 226 HD1 TRP 30 HD1 TRP 30 6.038 1.948 0.178 227 HE1 TRP 30 HE1 TRP 30 8.501 2.298 -0.534 228 HE3 TRP 30 HE3 TRP 30 7.923 3.726 4.580 229 HZ2 TRP 30 HZ2 TRP 30 10.889 3.207 0.614 230 HZ3 TRP 30 HZ3 TRP 30 10.306 4.317 4.684 231 HH2 TRP 30 HH2 TRP 30 11.752 4.064 2.738 232 H CYS 31 H CYS 31 3.427 3.865 1.852 233 HA CYS 31 HA CYS 31 2.442 2.704 -0.537 234 HB2 CYS 31 HB3 CYS 31 2.020 5.203 0.953 235 HB3 CYS 31 HB2 CYS 31 1.693 5.251 -0.784 236 H LYS 32 H LYS 32 3.319 3.164 -2.530 237 HA LYS 32 HA LYS 32 6.055 4.097 -2.461 238 HB2 LYS 32 HB3 LYS 32 4.420 3.124 -4.805 239 HB3 LYS 32 HB2 LYS 32 6.151 3.405 -4.794 240 HG2 LYS 32 HG3 LYS 32 6.404 1.598 -3.149 241 HG3 LYS 32 HG2 LYS 32 4.663 1.315 -3.245 242 HD2 LYS 32 HD3 LYS 32 4.890 0.904 -5.675 243 HD3 LYS 32 HD2 LYS 32 6.631 1.121 -5.531 244 HE2 LYS 32 HE3 LYS 32 6.676 -0.792 -3.945 245 HE3 LYS 32 HE2 LYS 32 4.958 -1.028 -4.252 246 HZ1 LYS 32 HZ1 LYS 32 5.479 -1.376 -6.601 247 HZ2 LYS 32 HZ2 LYS 32 6.254 -2.497 -5.632 248 HZ3 LYS 32 HZ3 LYS 32 7.125 -1.212 -6.276 249 H TRP 33 H TRP 33 6.807 5.752 -3.638 250 HA TRP 33 HA TRP 33 4.977 7.968 -3.815 251 HB2 TRP 33 HB3 TRP 33 7.258 8.014 -2.721 252 HB3 TRP 33 HB2 TRP 33 7.936 7.907 -4.336 253 HD1 TRP 33 HD1 TRP 33 4.905 10.147 -3.671 254 HE1 TRP 33 HE1 TRP 33 5.633 12.582 -3.929 255 HE3 TRP 33 HE3 TRP 33 9.938 9.453 -4.159 256 HZ2 TRP 33 HZ2 TRP 33 7.983 14.020 -4.245 257 HZ3 TRP 33 HZ3 TRP 33 11.368 11.432 -4.431 258 HH2 TRP 33 HH2 TRP 33 10.411 13.670 -4.475 259 H GLN 34 H GLN 34 4.602 9.162 -5.675 260 HA GLN 34 HA GLN 34 4.472 7.680 -8.054 261 HB2 GLN 34 HB3 GLN 34 3.541 9.714 -9.057 262 HB3 GLN 34 HB2 GLN 34 2.779 9.323 -7.526 263 HG2 GLN 34 HG3 GLN 34 4.128 11.054 -6.433 264 HG3 GLN 34 HG2 GLN 34 4.868 11.445 -7.984 265 HE21 GLN 34 HE21 GLN 34 4.091 13.534 -8.031 266 HE22 GLN 34 HE22 GLN 34 2.425 13.896 -8.254 267 H ILE 35 H ILE 35 6.811 9.956 -6.859 268 HA ILE 35 HA ILE 35 8.098 10.144 -9.450 269 HB ILE 35 HB ILE 35 9.013 11.270 -6.773 270 HG12 ILE 35 HG12 ILE 35 7.661 12.618 -9.126 271 HG13 ILE 35 HG11 ILE 35 6.942 12.318 -7.551 272 HG21 ILE 35 HG21 ILE 35 10.901 10.904 -8.268 273 HG22 ILE 35 HG22 ILE 35 10.585 12.632 -8.103 274 HG23 ILE 35 HG23 ILE 35 10.072 11.775 -9.558 275 HD11 ILE 35 HD11 ILE 35 8.560 13.854 -6.535 276 HD12 ILE 35 HD12 ILE 35 7.602 14.645 -7.784 277 HD13 ILE 35 HD13 ILE 35 9.262 14.154 -8.124 278 HN1 NH2 36 HN1 NH2 36 9.606 9.499 -6.324 279 HN2 NH2 36 HN2 NH2 36 10.468 8.092 -6.844 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -11.140 9.000 1.694 2 H2 GLY 1 H2 GLY 1 -11.169 9.326 0.068 3 H3 GLY 1 H3 GLY 1 -11.569 10.559 1.174 4 HA2 GLY 1 HA2 GLY 1 -9.371 10.902 0.313 5 HA3 GLY 1 HA3 GLY 1 -9.290 10.473 2.022 6 H CYS 2 H CYS 2 -7.204 9.586 1.870 7 HA CYS 2 HA CYS 2 -7.132 6.902 1.034 8 HB2 CYS 2 HB3 CYS 2 -5.186 7.276 -0.524 9 HB3 CYS 2 HB2 CYS 2 -6.782 7.627 -1.153 10 H LEU 3 H LEU 3 -4.607 6.275 0.978 11 HA LEU 3 HA LEU 3 -3.541 7.059 3.535 12 HB2 LEU 3 HB3 LEU 3 -2.495 5.133 1.451 13 HB3 LEU 3 HB2 LEU 3 -1.812 5.361 3.040 14 HG LEU 3 HG LEU 3 -4.472 4.123 2.362 15 HD11 LEU 3 HD11 LEU 3 -3.498 2.138 3.384 16 HD12 LEU 3 HD12 LEU 3 -1.983 3.007 3.622 17 HD13 LEU 3 HD13 LEU 3 -2.570 2.688 1.989 18 HD21 LEU 3 HD21 LEU 3 -3.282 4.691 5.086 19 HD22 LEU 3 HD22 LEU 3 -4.731 3.735 4.778 20 HD23 LEU 3 HD23 LEU 3 -4.720 5.456 4.404 21 H GLY 4 H GLY 4 -0.963 6.901 3.147 22 HA2 GLY 4 HA3 GLY 4 -0.191 9.052 1.278 23 HA3 GLY 4 HA2 GLY 4 0.332 9.093 2.966 24 H ILE 5 H ILE 5 2.336 9.197 1.538 25 HA ILE 5 HA ILE 5 3.089 6.823 0.260 26 HB ILE 5 HB ILE 5 3.898 8.878 -0.655 27 HG12 ILE 5 HG13 ILE 5 6.110 7.446 0.720 28 HG13 ILE 5 HG12 ILE 5 5.339 6.966 -0.795 29 HG21 ILE 5 HG21 ILE 5 5.193 9.435 2.008 30 HG22 ILE 5 HG22 ILE 5 3.833 10.302 1.290 31 HG23 ILE 5 HG23 ILE 5 5.428 10.389 0.545 32 HD11 ILE 5 HD11 ILE 5 6.208 9.016 -1.871 33 HD12 ILE 5 HD12 ILE 5 7.524 8.037 -1.226 34 HD13 ILE 5 HD13 ILE 5 6.986 9.473 -0.356 35 H TRP 6 H TRP 6 3.737 8.092 3.337 36 HA TRP 6 HA TRP 6 5.628 6.017 3.856 37 HB2 TRP 6 HB3 TRP 6 4.635 8.265 5.521 38 HB3 TRP 6 HB2 TRP 6 5.841 7.104 6.082 39 HD1 TRP 6 HD1 TRP 6 5.602 10.363 4.458 40 HE1 TRP 6 HE1 TRP 6 7.859 11.043 3.363 41 HE3 TRP 6 HE3 TRP 6 7.937 5.847 4.606 42 HZ2 TRP 6 HZ2 TRP 6 10.294 9.781 2.661 43 HZ3 TRP 6 HZ3 TRP 6 10.188 5.638 3.716 44 HH2 TRP 6 HH2 TRP 6 11.363 7.573 2.755 45 H LYS 7 H LYS 7 2.531 5.755 3.615 46 HA LYS 7 HA LYS 7 1.871 4.905 6.300 47 HB2 LYS 7 HB3 LYS 7 0.277 5.343 3.848 48 HB3 LYS 7 HB2 LYS 7 -0.376 4.592 5.273 49 HG2 LYS 7 HG3 LYS 7 0.787 7.381 5.181 50 HG3 LYS 7 HG2 LYS 7 -0.937 7.002 5.166 51 HD2 LYS 7 HD3 LYS 7 -0.632 5.847 7.349 52 HD3 LYS 7 HD2 LYS 7 1.033 6.419 7.378 53 HE2 LYS 7 HE3 LYS 7 0.274 8.716 7.362 54 HE3 LYS 7 HE2 LYS 7 -1.408 8.186 7.254 55 HZ1 LYS 7 HZ1 LYS 7 0.464 7.754 9.518 56 HZ2 LYS 7 HZ2 LYS 7 -1.021 7.018 9.390 57 HZ3 LYS 7 HZ3 LYS 7 -0.951 8.695 9.523 58 H ALA 8 H ALA 8 1.440 2.978 6.840 59 HA ALA 8 HA ALA 8 2.496 0.844 5.259 60 HB1 ALA 8 HB1 ALA 8 1.991 -0.589 7.170 61 HB2 ALA 8 HB2 ALA 8 1.081 0.720 7.922 62 HB3 ALA 8 HB3 ALA 8 2.822 0.876 7.689 63 H CYS 9 H CYS 9 1.443 -0.068 3.766 64 HA CYS 9 HA CYS 9 -1.466 -0.197 3.790 65 HB2 CYS 9 HB3 CYS 9 -1.061 -0.854 1.409 66 HB3 CYS 9 HB2 CYS 9 -0.677 0.803 1.808 67 H ASN 10 H ASN 10 -1.930 -2.255 2.189 68 HA ASN 10 HA ASN 10 -0.708 -4.528 3.527 69 HB2 ASN 10 HB3 ASN 10 -3.512 -3.895 2.782 70 HB3 ASN 10 HB2 ASN 10 -2.988 -5.561 2.931 71 HD21 ASN 10 HD21 ASN 10 -2.393 -6.292 5.047 72 HD22 ASN 10 HD22 ASN 10 -2.897 -5.440 6.456 73 HA PRO 11 HA PRO 11 0.623 -5.339 -0.751 74 HB2 PRO 11 HB3 PRO 11 0.999 -7.951 0.652 75 HB3 PRO 11 HB2 PRO 11 2.071 -7.137 -0.492 76 HG2 PRO 11 HG3 PRO 11 2.657 -7.006 2.061 77 HG3 PRO 11 HG2 PRO 11 2.713 -5.518 1.097 78 HD2 PRO 11 HD3 PRO 11 0.615 -6.433 3.022 79 HD3 PRO 11 HD2 PRO 11 1.287 -4.809 2.768 80 H SER 12 H SER 12 -1.428 -7.414 1.189 81 HA SER 12 HA SER 12 -2.529 -8.754 -1.142 82 HB2 SER 12 HB3 SER 12 -2.058 -9.940 1.033 83 HB3 SER 12 HB2 SER 12 -3.374 -9.013 1.749 84 HG SER 12 HG SER 12 -4.689 -9.961 -0.016 85 H ASN 13 H ASN 13 -3.006 -5.767 -0.041 86 HA ASN 13 HA ASN 13 -5.658 -5.633 -1.132 87 HB2 ASN 13 HB3 ASN 13 -6.051 -5.906 1.353 88 HB3 ASN 13 HB2 ASN 13 -5.069 -4.477 1.615 89 HD21 ASN 13 HD21 ASN 13 -7.413 -4.897 -1.011 90 HD22 ASN 13 HD22 ASN 13 -8.469 -3.645 -0.485 91 H ASP 14 H ASP 14 -3.873 -4.885 -2.577 92 HA ASP 14 HA ASP 14 -2.533 -2.487 -1.948 93 HB2 ASP 14 HB3 ASP 14 -1.626 -4.065 -3.566 94 HB3 ASP 14 HB2 ASP 14 -3.016 -3.801 -4.621 95 H GLN 15 H GLN 15 -3.489 -0.628 -1.884 96 HA GLN 15 HA GLN 15 -5.476 0.132 -3.864 97 HB2 GLN 15 HB3 GLN 15 -6.793 -0.784 -2.024 98 HB3 GLN 15 HB2 GLN 15 -5.960 0.240 -0.878 99 HG2 GLN 15 HG3 GLN 15 -6.888 2.209 -2.133 100 HG3 GLN 15 HG2 GLN 15 -7.881 1.061 -3.034 101 HE21 GLN 15 HE21 GLN 15 -8.693 3.182 -1.229 102 HE22 GLN 15 HE22 GLN 15 -9.626 2.416 0.003 103 H CYS 16 H CYS 16 -4.537 1.448 -0.710 104 HA CYS 16 HA CYS 16 -3.720 3.410 -0.049 105 HB2 CYS 16 HB3 CYS 16 -1.714 2.262 -0.974 106 HB3 CYS 16 HB2 CYS 16 -1.959 3.114 -2.499 107 H CYS 17 H CYS 17 -2.606 5.435 -1.990 108 HA CYS 17 HA CYS 17 -5.204 6.618 -2.481 109 HB2 CYS 17 HB3 CYS 17 -3.190 7.835 -1.388 110 HB3 CYS 17 HB2 CYS 17 -2.619 7.931 -3.058 111 H LYS 18 H LYS 18 -6.082 6.215 -4.241 112 HA LYS 18 HA LYS 18 -4.597 5.494 -6.613 113 HB2 LYS 18 HB3 LYS 18 -6.811 5.203 -7.705 114 HB3 LYS 18 HB2 LYS 18 -6.598 4.224 -6.263 115 HG2 LYS 18 HG3 LYS 18 -8.014 5.733 -5.002 116 HG3 LYS 18 HG2 LYS 18 -8.157 6.803 -6.403 117 HD2 LYS 18 HD3 LYS 18 -9.281 5.063 -7.659 118 HD3 LYS 18 HD2 LYS 18 -9.054 3.917 -6.345 119 HE2 LYS 18 HE3 LYS 18 -10.708 6.448 -6.222 120 HE3 LYS 18 HE2 LYS 18 -11.345 4.819 -6.415 121 HZ1 LYS 18 HZ1 LYS 18 -9.866 5.846 -4.050 122 HZ2 LYS 18 HZ2 LYS 18 -10.416 4.264 -4.224 123 HZ3 LYS 18 HZ3 LYS 18 -11.511 5.516 -4.116 124 H SER 19 H SER 19 -5.818 8.282 -5.262 125 HA SER 19 HA SER 19 -6.004 9.788 -7.694 126 HB2 SER 19 HB3 SER 19 -7.260 10.413 -5.622 127 HB3 SER 19 HB2 SER 19 -5.726 10.778 -4.838 128 HG SER 19 HG SER 19 -6.964 12.059 -7.013 129 H SER 20 H SER 20 -3.495 8.980 -5.371 130 HA SER 20 HA SER 20 -1.666 10.840 -6.676 131 HB2 SER 20 HB3 SER 20 -1.335 9.171 -4.212 132 HB3 SER 20 HB2 SER 20 -0.208 10.406 -4.797 133 HG SER 20 HG SER 20 -2.056 11.879 -4.597 134 H LYS 21 H LYS 21 -2.769 7.835 -6.962 135 HA LYS 21 HA LYS 21 -2.214 5.969 -7.981 136 HB2 LYS 21 HB3 LYS 21 0.021 7.596 -9.193 137 HB3 LYS 21 HB2 LYS 21 -0.635 6.095 -9.848 138 HG2 LYS 21 HG3 LYS 21 -2.147 8.635 -9.468 139 HG3 LYS 21 HG2 LYS 21 -1.378 8.179 -10.997 140 HD2 LYS 21 HD3 LYS 21 -2.796 6.135 -11.027 141 HD3 LYS 21 HD2 LYS 21 -3.586 6.700 -9.554 142 HE2 LYS 21 HE3 LYS 21 -4.948 7.230 -11.496 143 HE3 LYS 21 HE2 LYS 21 -4.351 8.702 -10.740 144 HZ1 LYS 21 HZ1 LYS 21 -2.627 8.824 -12.452 145 HZ2 LYS 21 HZ2 LYS 21 -4.153 8.810 -13.138 146 HZ3 LYS 21 HZ3 LYS 21 -3.217 7.415 -13.167 147 H LEU 22 H LEU 22 -1.450 5.524 -5.530 148 HA LEU 22 HA LEU 22 1.360 5.009 -5.520 149 HB2 LEU 22 HB3 LEU 22 -0.583 5.396 -3.291 150 HB3 LEU 22 HB2 LEU 22 1.135 5.130 -3.184 151 HG LEU 22 HG LEU 22 -0.170 7.591 -4.345 152 HD11 LEU 22 HD11 LEU 22 -0.332 7.542 -1.907 153 HD12 LEU 22 HD12 LEU 22 0.840 8.755 -2.461 154 HD13 LEU 22 HD13 LEU 22 1.410 7.226 -1.813 155 HD21 LEU 22 HD21 LEU 22 2.078 8.504 -4.466 156 HD22 LEU 22 HD22 LEU 22 1.923 7.050 -5.460 157 HD23 LEU 22 HD23 LEU 22 2.702 6.970 -3.867 158 H VAL 23 H VAL 23 1.899 3.108 -5.216 159 HA VAL 23 HA VAL 23 -0.116 0.984 -4.896 160 HB VAL 23 HB VAL 23 1.555 -0.601 -5.816 161 HG11 VAL 23 HG11 VAL 23 -0.064 0.386 -7.317 162 HG12 VAL 23 HG12 VAL 23 1.479 0.183 -8.149 163 HG13 VAL 23 HG13 VAL 23 0.988 1.775 -7.567 164 HG21 VAL 23 HG21 VAL 23 3.579 0.255 -6.934 165 HG22 VAL 23 HG22 VAL 23 3.606 0.539 -5.194 166 HG23 VAL 23 HG23 VAL 23 3.231 1.865 -6.298 167 H CYS 24 H CYS 24 0.711 -0.994 -3.723 168 HA CYS 24 HA CYS 24 1.840 -0.014 -1.244 169 HB2 CYS 24 HB3 CYS 24 -0.293 -1.253 -1.228 170 HB3 CYS 24 HB2 CYS 24 0.553 -2.660 -1.877 171 H SER 25 H SER 25 3.768 -0.603 -0.533 172 HA SER 25 HA SER 25 5.315 -2.371 -2.110 173 HB2 SER 25 HB3 SER 25 6.370 -0.316 -1.426 174 HB3 SER 25 HB2 SER 25 6.039 -0.665 0.268 175 HG SER 25 HG SER 25 8.128 -1.196 -0.159 176 H ARG 26 H ARG 26 6.246 -4.182 -1.249 177 HA ARG 26 HA ARG 26 4.872 -5.392 1.058 178 HB2 ARG 26 HB3 ARG 26 4.546 -6.425 -1.120 179 HB3 ARG 26 HB2 ARG 26 6.309 -6.473 -1.265 180 HG2 ARG 26 HG3 ARG 26 6.481 -8.109 0.487 181 HG3 ARG 26 HG2 ARG 26 4.748 -8.010 0.809 182 HD2 ARG 26 HD3 ARG 26 5.488 -9.988 -0.568 183 HD3 ARG 26 HD2 ARG 26 4.211 -8.995 -1.268 184 HE ARG 26 HE ARG 26 5.840 -7.997 -2.706 185 HH11 ARG 26 HH11 ARG 26 6.966 -10.944 -1.095 186 HH12 ARG 26 HH12 ARG 26 8.103 -11.320 -2.311 187 HH21 ARG 26 HH21 ARG 26 7.422 -8.489 -4.305 188 HH22 ARG 26 HH22 ARG 26 8.403 -9.878 -4.162 189 H LYS 27 H LYS 27 7.917 -4.630 -0.470 190 HA LYS 27 HA LYS 27 9.431 -6.122 1.449 191 HB2 LYS 27 HB3 LYS 27 10.281 -4.204 -0.712 192 HB3 LYS 27 HB2 LYS 27 11.401 -5.072 0.331 193 HG2 LYS 27 HG3 LYS 27 10.490 -7.205 -0.500 194 HG3 LYS 27 HG2 LYS 27 9.427 -6.304 -1.575 195 HD2 LYS 27 HD3 LYS 27 11.298 -5.380 -2.757 196 HD3 LYS 27 HD2 LYS 27 12.431 -6.093 -1.606 197 HE2 LYS 27 HE3 LYS 27 10.569 -7.638 -3.404 198 HE3 LYS 27 HE2 LYS 27 12.281 -7.358 -3.715 199 HZ1 LYS 27 HZ1 LYS 27 12.799 -8.571 -1.670 200 HZ2 LYS 27 HZ2 LYS 27 11.945 -9.524 -2.738 201 HZ3 LYS 27 HZ3 LYS 27 11.169 -8.878 -1.392 202 H THR 28 H THR 28 8.127 -3.055 1.209 203 HA THR 28 HA THR 28 9.621 -2.350 3.679 204 HB THR 28 HB THR 28 9.393 0.091 3.084 205 HG1 THR 28 HG1 THR 28 8.590 0.660 1.276 206 HG21 THR 28 HG21 THR 28 11.301 0.067 1.518 207 HG22 THR 28 HG22 THR 28 11.045 -1.672 1.291 208 HG23 THR 28 HG23 THR 28 11.504 -1.044 2.874 209 H ARG 29 H ARG 29 6.609 -2.501 2.165 210 HA ARG 29 HA ARG 29 4.546 -2.204 2.695 211 HB2 ARG 29 HB3 ARG 29 5.175 -3.723 4.541 212 HB3 ARG 29 HB2 ARG 29 5.395 -2.318 5.575 213 HG2 ARG 29 HG3 ARG 29 3.051 -1.708 5.254 214 HG3 ARG 29 HG2 ARG 29 2.826 -3.122 4.226 215 HD2 ARG 29 HD3 ARG 29 3.501 -4.537 6.111 216 HD3 ARG 29 HD2 ARG 29 3.582 -3.082 7.116 217 HE ARG 29 HE ARG 29 1.082 -3.255 5.829 218 HH11 ARG 29 HH11 ARG 29 2.850 -4.544 8.595 219 HH12 ARG 29 HH12 ARG 29 1.481 -5.083 9.438 220 HH21 ARG 29 HH21 ARG 29 -0.824 -3.936 6.993 221 HH22 ARG 29 HH22 ARG 29 -0.689 -4.724 8.492 222 H TRP 30 H TRP 30 4.855 -0.152 1.748 223 HA TRP 30 HA TRP 30 3.275 1.755 3.010 224 HB2 TRP 30 HB3 TRP 30 4.797 3.682 2.839 225 HB3 TRP 30 HB2 TRP 30 5.245 2.616 4.135 226 HD1 TRP 30 HD1 TRP 30 6.321 3.128 0.422 227 HE1 TRP 30 HE1 TRP 30 8.888 3.094 0.326 228 HE3 TRP 30 HE3 TRP 30 7.277 2.228 5.347 229 HZ2 TRP 30 HZ2 TRP 30 11.051 2.743 2.136 230 HZ3 TRP 30 HZ3 TRP 30 9.613 2.065 6.088 231 HH2 TRP 30 HH2 TRP 30 11.456 2.318 4.510 232 H CYS 31 H CYS 31 3.404 3.752 1.489 233 HA CYS 31 HA CYS 31 2.624 2.460 -0.908 234 HB2 CYS 31 HB3 CYS 31 2.199 5.134 0.295 235 HB3 CYS 31 HB2 CYS 31 1.689 4.763 -1.347 236 H LYS 32 H LYS 32 3.684 2.547 -2.709 237 HA LYS 32 HA LYS 32 6.136 4.103 -2.855 238 HB2 LYS 32 HB3 LYS 32 5.022 2.113 -4.819 239 HB3 LYS 32 HB2 LYS 32 6.613 2.849 -4.884 240 HG2 LYS 32 HG3 LYS 32 5.597 1.002 -2.751 241 HG3 LYS 32 HG2 LYS 32 6.701 0.610 -4.079 242 HD2 LYS 32 HD3 LYS 32 7.292 2.629 -1.892 243 HD3 LYS 32 HD2 LYS 32 7.864 0.970 -1.875 244 HE2 LYS 32 HE3 LYS 32 8.492 2.978 -4.023 245 HE3 LYS 32 HE2 LYS 32 9.559 2.587 -2.679 246 HZ1 LYS 32 HZ1 LYS 32 10.161 1.388 -4.693 247 HZ2 LYS 32 HZ2 LYS 32 8.660 0.657 -4.770 248 HZ3 LYS 32 HZ3 LYS 32 9.702 0.324 -3.487 249 H TRP 33 H TRP 33 6.502 5.587 -4.300 250 HA TRP 33 HA TRP 33 4.156 7.059 -5.073 251 HB2 TRP 33 HB3 TRP 33 6.254 8.054 -3.990 252 HB3 TRP 33 HB2 TRP 33 7.015 7.874 -5.565 253 HD1 TRP 33 HD1 TRP 33 6.393 9.605 -7.393 254 HE1 TRP 33 HE1 TRP 33 5.055 11.820 -7.406 255 HE3 TRP 33 HE3 TRP 33 4.177 9.198 -2.843 256 HZ2 TRP 33 HZ2 TRP 33 3.292 13.188 -5.696 257 HZ3 TRP 33 HZ3 TRP 33 2.674 11.001 -2.089 258 HH2 TRP 33 HH2 TRP 33 2.248 12.946 -3.488 259 H GLN 34 H GLN 34 3.646 7.754 -7.103 260 HA GLN 34 HA GLN 34 3.698 5.835 -9.097 261 HB2 GLN 34 HB3 GLN 34 2.675 7.559 -10.518 262 HB3 GLN 34 HB2 GLN 34 1.936 7.411 -8.926 263 HG2 GLN 34 HG3 GLN 34 3.177 9.395 -8.185 264 HG3 GLN 34 HG2 GLN 34 3.866 9.555 -9.794 265 HE21 GLN 34 HE21 GLN 34 1.331 8.769 -11.093 266 HE22 GLN 34 HE22 GLN 34 0.308 10.131 -10.922 267 H ILE 35 H ILE 35 5.722 8.623 -8.679 268 HA ILE 35 HA ILE 35 6.961 8.447 -11.235 269 HB ILE 35 HB ILE 35 8.013 9.818 -8.734 270 HG12 ILE 35 HG12 ILE 35 5.831 10.733 -9.324 271 HG13 ILE 35 HG11 ILE 35 7.092 11.896 -9.706 272 HG21 ILE 35 HG21 ILE 35 9.768 9.460 -10.379 273 HG22 ILE 35 HG22 ILE 35 9.368 11.172 -10.252 274 HG23 ILE 35 HG23 ILE 35 8.779 10.232 -11.620 275 HD11 ILE 35 HD11 ILE 35 5.637 10.131 -11.665 276 HD12 ILE 35 HD12 ILE 35 6.936 11.249 -12.072 277 HD13 ILE 35 HD13 ILE 35 5.411 11.866 -11.440 278 HN1 NH2 36 HN1 NH2 36 8.466 7.960 -8.054 279 HN2 NH2 36 HN2 NH2 36 9.416 6.601 -8.533 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -11.234 8.139 -0.414 2 H2 GLY 1 H2 GLY 1 -10.316 7.102 -1.398 3 H3 GLY 1 H3 GLY 1 -9.855 8.706 -1.223 4 HA2 GLY 1 HA2 GLY 1 -9.312 8.356 1.060 5 HA3 GLY 1 HA3 GLY 1 -9.864 6.688 0.913 6 H CYS 2 H CYS 2 -7.168 8.196 1.315 7 HA CYS 2 HA CYS 2 -5.732 6.424 -0.490 8 HB2 CYS 2 HB3 CYS 2 -5.093 9.305 0.098 9 HB3 CYS 2 HB2 CYS 2 -3.985 8.181 -0.620 10 H LEU 3 H LEU 3 -3.365 6.474 0.256 11 HA LEU 3 HA LEU 3 -3.202 6.488 3.149 12 HB2 LEU 3 HB3 LEU 3 -1.831 4.696 1.139 13 HB3 LEU 3 HB2 LEU 3 -1.495 4.737 2.849 14 HG LEU 3 HG LEU 3 -4.066 3.799 1.567 15 HD11 LEU 3 HD11 LEU 3 -1.893 2.282 3.001 16 HD12 LEU 3 HD12 LEU 3 -2.198 2.249 1.267 17 HD13 LEU 3 HD13 LEU 3 -3.397 1.602 2.386 18 HD21 LEU 3 HD21 LEU 3 -4.504 4.840 3.730 19 HD22 LEU 3 HD22 LEU 3 -3.241 3.858 4.470 20 HD23 LEU 3 HD23 LEU 3 -4.695 3.090 3.834 21 H GLY 4 H GLY 4 -1.487 7.636 3.857 22 HA2 GLY 4 HA3 GLY 4 -0.022 9.355 2.146 23 HA3 GLY 4 HA2 GLY 4 0.369 9.013 3.832 24 H ILE 5 H ILE 5 2.419 9.365 2.351 25 HA ILE 5 HA ILE 5 3.171 7.149 0.816 26 HB ILE 5 HB ILE 5 4.042 9.292 0.203 27 HG12 ILE 5 HG13 ILE 5 6.099 7.496 1.360 28 HG13 ILE 5 HG12 ILE 5 5.415 7.486 -0.273 29 HG21 ILE 5 HG21 ILE 5 5.281 9.474 2.941 30 HG22 ILE 5 HG22 ILE 5 3.970 10.468 2.291 31 HG23 ILE 5 HG23 ILE 5 5.585 10.585 1.606 32 HD11 ILE 5 HD11 ILE 5 6.509 9.680 -0.701 33 HD12 ILE 5 HD12 ILE 5 7.673 8.409 -0.342 34 HD13 ILE 5 HD13 ILE 5 7.249 9.589 0.898 35 H TRP 6 H TRP 6 3.665 8.020 4.042 36 HA TRP 6 HA TRP 6 5.447 5.813 4.423 37 HB2 TRP 6 HB3 TRP 6 4.591 8.045 6.155 38 HB3 TRP 6 HB2 TRP 6 5.613 6.734 6.755 39 HD1 TRP 6 HD1 TRP 6 5.888 10.052 5.155 40 HE1 TRP 6 HE1 TRP 6 8.284 10.426 4.234 41 HE3 TRP 6 HE3 TRP 6 7.618 5.274 5.456 42 HZ2 TRP 6 HZ2 TRP 6 10.572 8.875 3.705 43 HZ3 TRP 6 HZ3 TRP 6 9.884 4.786 4.717 44 HH2 TRP 6 HH2 TRP 6 11.341 6.547 3.856 45 H LYS 7 H LYS 7 2.478 5.690 3.977 46 HA LYS 7 HA LYS 7 1.580 4.554 6.477 47 HB2 LYS 7 HB3 LYS 7 0.291 5.193 3.902 48 HB3 LYS 7 HB2 LYS 7 -0.461 4.042 4.973 49 HG2 LYS 7 HG3 LYS 7 0.242 6.886 5.708 50 HG3 LYS 7 HG2 LYS 7 -1.365 6.335 5.229 51 HD2 LYS 7 HD3 LYS 7 -1.365 4.773 7.142 52 HD3 LYS 7 HD2 LYS 7 0.195 5.416 7.647 53 HE2 LYS 7 HE3 LYS 7 -2.381 6.966 7.433 54 HE3 LYS 7 HE2 LYS 7 -1.619 6.404 8.918 55 HZ1 LYS 7 HZ1 LYS 7 -0.503 8.403 7.027 56 HZ2 LYS 7 HZ2 LYS 7 0.296 7.801 8.384 57 HZ3 LYS 7 HZ3 LYS 7 -1.113 8.689 8.570 58 H ALA 8 H ALA 8 1.002 2.531 6.741 59 HA ALA 8 HA ALA 8 2.365 0.607 5.025 60 HB1 ALA 8 HB1 ALA 8 1.217 0.310 7.805 61 HB2 ALA 8 HB2 ALA 8 2.918 0.552 7.412 62 HB3 ALA 8 HB3 ALA 8 2.103 -0.935 6.926 63 H CYS 9 H CYS 9 1.180 -0.554 3.676 64 HA CYS 9 HA CYS 9 -1.721 -0.392 3.783 65 HB2 CYS 9 HB3 CYS 9 -1.512 -1.463 1.591 66 HB3 CYS 9 HB2 CYS 9 -0.685 0.078 1.690 67 H ASN 10 H ASN 10 -2.598 -2.418 2.707 68 HA ASN 10 HA ASN 10 -1.811 -4.844 4.125 69 HB2 ASN 10 HB3 ASN 10 -4.299 -3.885 2.741 70 HB3 ASN 10 HB2 ASN 10 -4.029 -5.582 3.028 71 HD21 ASN 10 HD21 ASN 10 -5.817 -5.741 4.289 72 HD22 ASN 10 HD22 ASN 10 -5.938 -5.077 5.885 73 HA PRO 11 HA PRO 11 0.214 -5.535 0.032 74 HB2 PRO 11 HB3 PRO 11 0.318 -8.208 1.354 75 HB3 PRO 11 HB2 PRO 11 1.560 -7.379 0.416 76 HG2 PRO 11 HG3 PRO 11 1.739 -7.386 3.048 77 HG3 PRO 11 HG2 PRO 11 2.045 -5.878 2.164 78 HD2 PRO 11 HD3 PRO 11 -0.354 -6.698 3.742 79 HD3 PRO 11 HD2 PRO 11 0.403 -5.101 3.589 80 H SER 12 H SER 12 -2.164 -7.608 1.544 81 HA SER 12 HA SER 12 -2.852 -9.033 -0.839 82 HB2 SER 12 HB3 SER 12 -3.113 -9.983 1.449 83 HB3 SER 12 HB2 SER 12 -4.413 -8.833 1.746 84 HG SER 12 HG SER 12 -5.421 -9.835 -0.201 85 H ASN 13 H ASN 13 -3.776 -5.911 0.373 86 HA ASN 13 HA ASN 13 -5.627 -5.683 -1.734 87 HB2 ASN 13 HB3 ASN 13 -7.523 -4.837 -0.329 88 HB3 ASN 13 HB2 ASN 13 -7.189 -6.539 -0.085 89 HD21 ASN 13 HD21 ASN 13 -7.333 -3.447 1.351 90 HD22 ASN 13 HD22 ASN 13 -7.013 -3.913 2.984 91 H ASP 14 H ASP 14 -3.699 -4.599 -2.185 92 HA ASP 14 HA ASP 14 -3.245 -2.228 -0.729 93 HB2 ASP 14 HB3 ASP 14 -1.248 -3.243 -1.499 94 HB3 ASP 14 HB2 ASP 14 -1.850 -3.345 -3.151 95 H GLN 15 H GLN 15 -3.943 -0.341 -1.209 96 HA GLN 15 HA GLN 15 -5.233 0.161 -3.785 97 HB2 GLN 15 HB3 GLN 15 -6.934 -0.088 -2.028 98 HB3 GLN 15 HB2 GLN 15 -6.103 1.115 -1.051 99 HG2 GLN 15 HG3 GLN 15 -6.531 2.796 -2.782 100 HG3 GLN 15 HG2 GLN 15 -7.409 1.588 -3.716 101 HE21 GLN 15 HE21 GLN 15 -7.436 3.610 -0.901 102 HE22 GLN 15 HE22 GLN 15 -9.098 3.402 -0.541 103 H CYS 16 H CYS 16 -3.887 1.558 -0.822 104 HA CYS 16 HA CYS 16 -2.725 3.432 -0.352 105 HB2 CYS 16 HB3 CYS 16 -1.098 2.129 -1.726 106 HB3 CYS 16 HB2 CYS 16 -1.655 2.985 -3.158 107 H CYS 17 H CYS 17 -1.945 5.410 -2.452 108 HA CYS 17 HA CYS 17 -4.560 6.650 -2.504 109 HB2 CYS 17 HB3 CYS 17 -2.444 7.954 -1.904 110 HB3 CYS 17 HB2 CYS 17 -2.116 7.848 -3.644 111 H LYS 18 H LYS 18 -5.622 5.730 -3.920 112 HA LYS 18 HA LYS 18 -4.657 5.115 -6.544 113 HB2 LYS 18 HB3 LYS 18 -6.989 4.445 -7.060 114 HB3 LYS 18 HB2 LYS 18 -6.370 3.687 -5.604 115 HG2 LYS 18 HG3 LYS 18 -7.607 5.430 -4.288 116 HG3 LYS 18 HG2 LYS 18 -8.347 5.949 -5.803 117 HD2 LYS 18 HD3 LYS 18 -8.526 3.164 -4.630 118 HD3 LYS 18 HD2 LYS 18 -9.787 4.380 -4.530 119 HE2 LYS 18 HE3 LYS 18 -8.704 3.192 -7.088 120 HE3 LYS 18 HE2 LYS 18 -10.194 2.699 -6.298 121 HZ1 LYS 18 HZ1 LYS 18 -10.654 4.230 -8.081 122 HZ2 LYS 18 HZ2 LYS 18 -9.627 5.387 -7.430 123 HZ3 LYS 18 HZ3 LYS 18 -11.034 4.967 -6.622 124 H SER 19 H SER 19 -6.033 7.819 -5.046 125 HA SER 19 HA SER 19 -6.936 9.140 -7.385 126 HB2 SER 19 HB3 SER 19 -6.260 10.255 -4.662 127 HB3 SER 19 HB2 SER 19 -7.270 11.020 -5.895 128 HG SER 19 HG SER 19 -8.684 9.268 -5.733 129 H SER 20 H SER 20 -3.828 8.848 -5.741 130 HA SER 20 HA SER 20 -2.759 10.949 -7.489 131 HB2 SER 20 HB3 SER 20 -1.523 9.635 -5.108 132 HB3 SER 20 HB2 SER 20 -0.854 10.992 -6.029 133 HG SER 20 HG SER 20 -2.857 10.963 -4.097 134 H LYS 21 H LYS 21 -3.186 7.724 -7.357 135 HA LYS 21 HA LYS 21 -2.428 5.968 -8.402 136 HB2 LYS 21 HB3 LYS 21 -0.871 7.961 -10.044 137 HB3 LYS 21 HB2 LYS 21 -1.118 6.266 -10.467 138 HG2 LYS 21 HG3 LYS 21 -3.314 8.201 -9.988 139 HG3 LYS 21 HG2 LYS 21 -2.639 7.941 -11.606 140 HD2 LYS 21 HD3 LYS 21 -3.199 5.507 -11.365 141 HD3 LYS 21 HD2 LYS 21 -3.978 5.882 -9.828 142 HE2 LYS 21 HE3 LYS 21 -4.782 7.038 -12.490 143 HE3 LYS 21 HE2 LYS 21 -5.547 5.647 -11.728 144 HZ1 LYS 21 HZ1 LYS 21 -6.151 7.068 -9.860 145 HZ2 LYS 21 HZ2 LYS 21 -6.779 7.658 -11.307 146 HZ3 LYS 21 HZ3 LYS 21 -5.446 8.403 -10.625 147 H LEU 22 H LEU 22 -1.334 5.779 -6.105 148 HA LEU 22 HA LEU 22 1.501 5.560 -6.393 149 HB2 LEU 22 HB3 LEU 22 -0.256 5.956 -3.999 150 HB3 LEU 22 HB2 LEU 22 1.476 5.813 -4.006 151 HG LEU 22 HG LEU 22 -0.193 8.112 -4.991 152 HD11 LEU 22 HD11 LEU 22 1.900 7.947 -2.832 153 HD12 LEU 22 HD12 LEU 22 0.158 8.055 -2.598 154 HD13 LEU 22 HD13 LEU 22 1.034 9.404 -3.320 155 HD21 LEU 22 HD21 LEU 22 2.774 7.698 -5.311 156 HD22 LEU 22 HD22 LEU 22 1.955 9.240 -5.554 157 HD23 LEU 22 HD23 LEU 22 1.579 7.868 -6.597 158 H VAL 23 H VAL 23 2.232 3.676 -5.476 159 HA VAL 23 HA VAL 23 0.240 1.602 -4.904 160 HB VAL 23 HB VAL 23 1.826 -0.084 -5.822 161 HG11 VAL 23 HG11 VAL 23 0.972 2.032 -7.792 162 HG12 VAL 23 HG12 VAL 23 -0.007 0.684 -7.218 163 HG13 VAL 23 HG13 VAL 23 1.420 0.379 -8.209 164 HG21 VAL 23 HG21 VAL 23 3.352 2.312 -6.851 165 HG22 VAL 23 HG22 VAL 23 3.671 0.631 -7.285 166 HG23 VAL 23 HG23 VAL 23 3.908 1.174 -5.624 167 H CYS 24 H CYS 24 0.906 0.004 -3.319 168 HA CYS 24 HA CYS 24 2.963 1.143 -1.614 169 HB2 CYS 24 HB3 CYS 24 0.782 1.101 -0.572 170 HB3 CYS 24 HB2 CYS 24 0.603 -0.606 -0.938 171 H SER 25 H SER 25 4.466 -0.099 -0.706 172 HA SER 25 HA SER 25 5.318 -2.223 -2.359 173 HB2 SER 25 HB3 SER 25 6.784 -0.393 -1.678 174 HB3 SER 25 HB2 SER 25 6.630 -0.907 -0.009 175 HG SER 25 HG SER 25 8.061 -2.012 -2.097 176 H ARG 26 H ARG 26 6.259 -4.136 -1.328 177 HA ARG 26 HA ARG 26 4.686 -5.107 0.957 178 HB2 ARG 26 HB3 ARG 26 4.390 -6.280 -1.181 179 HB3 ARG 26 HB2 ARG 26 6.142 -6.473 -1.226 180 HG2 ARG 26 HG3 ARG 26 6.133 -8.038 0.542 181 HG3 ARG 26 HG2 ARG 26 4.446 -7.694 0.933 182 HD2 ARG 26 HD3 ARG 26 4.765 -9.822 -0.315 183 HD3 ARG 26 HD2 ARG 26 3.702 -8.671 -1.123 184 HE ARG 26 HE ARG 26 6.430 -8.490 -1.965 185 HH11 ARG 26 HH11 ARG 26 3.421 -10.284 -2.489 186 HH12 ARG 26 HH12 ARG 26 3.771 -10.681 -4.107 187 HH21 ARG 26 HH21 ARG 26 6.876 -9.012 -4.254 188 HH22 ARG 26 HH22 ARG 26 5.716 -9.926 -5.119 189 H LYS 27 H LYS 27 7.871 -4.996 -0.565 190 HA LYS 27 HA LYS 27 9.211 -6.350 1.534 191 HB2 LYS 27 HB3 LYS 27 11.272 -5.710 0.402 192 HB3 LYS 27 HB2 LYS 27 10.103 -6.348 -0.741 193 HG2 LYS 27 HG3 LYS 27 9.552 -4.004 -1.401 194 HG3 LYS 27 HG2 LYS 27 10.825 -3.455 -0.320 195 HD2 LYS 27 HD3 LYS 27 11.225 -5.300 -2.679 196 HD3 LYS 27 HD2 LYS 27 11.585 -3.574 -2.661 197 HE2 LYS 27 HE3 LYS 27 13.222 -3.946 -0.865 198 HE3 LYS 27 HE2 LYS 27 12.849 -5.666 -0.895 199 HZ1 LYS 27 HZ1 LYS 27 13.669 -5.734 -3.205 200 HZ2 LYS 27 HZ2 LYS 27 14.836 -5.215 -2.116 201 HZ3 LYS 27 HZ3 LYS 27 14.083 -4.101 -3.097 202 H THR 28 H THR 28 8.303 -3.143 0.993 203 HA THR 28 HA THR 28 9.760 -2.397 3.451 204 HB THR 28 HB THR 28 9.533 0.043 2.633 205 HG1 THR 28 HG1 THR 28 9.355 -1.186 0.105 206 HG21 THR 28 HG21 THR 28 11.292 -1.893 1.138 207 HG22 THR 28 HG22 THR 28 11.656 -1.128 2.688 208 HG23 THR 28 HG23 THR 28 11.539 -0.148 1.226 209 H ARG 29 H ARG 29 6.762 -2.484 1.885 210 HA ARG 29 HA ARG 29 4.697 -2.019 2.376 211 HB2 ARG 29 HB3 ARG 29 5.153 -3.724 4.092 212 HB3 ARG 29 HB2 ARG 29 5.548 -2.449 5.231 213 HG2 ARG 29 HG3 ARG 29 3.250 -1.590 5.064 214 HG3 ARG 29 HG2 ARG 29 2.853 -2.894 3.943 215 HD2 ARG 29 HD3 ARG 29 3.353 -4.539 5.645 216 HD3 ARG 29 HD2 ARG 29 3.852 -3.249 6.741 217 HE ARG 29 HE ARG 29 1.114 -3.172 5.745 218 HH11 ARG 29 HH11 ARG 29 3.268 -4.039 8.424 219 HH12 ARG 29 HH12 ARG 29 2.074 -3.913 9.623 220 HH21 ARG 29 HH21 ARG 29 -0.554 -2.999 7.410 221 HH22 ARG 29 HH22 ARG 29 -0.156 -3.326 9.021 222 H TRP 30 H TRP 30 5.289 0.069 1.590 223 HA TRP 30 HA TRP 30 3.721 1.948 2.912 224 HB2 TRP 30 HB3 TRP 30 5.243 3.816 2.994 225 HB3 TRP 30 HB2 TRP 30 5.752 2.612 4.132 226 HD1 TRP 30 HD1 TRP 30 6.690 3.950 0.603 227 HE1 TRP 30 HE1 TRP 30 9.265 3.880 0.349 228 HE3 TRP 30 HE3 TRP 30 7.873 1.653 5.008 229 HZ2 TRP 30 HZ2 TRP 30 11.478 2.963 1.820 230 HZ3 TRP 30 HZ3 TRP 30 10.244 1.233 5.518 231 HH2 TRP 30 HH2 TRP 30 12.004 1.876 3.951 232 H CYS 31 H CYS 31 3.733 3.911 1.632 233 HA CYS 31 HA CYS 31 3.139 2.925 -0.966 234 HB2 CYS 31 HB3 CYS 31 2.428 5.298 0.634 235 HB3 CYS 31 HB2 CYS 31 2.244 5.369 -1.112 236 H LYS 32 H LYS 32 4.073 3.551 -2.811 237 HA LYS 32 HA LYS 32 6.504 5.107 -2.537 238 HB2 LYS 32 HB3 LYS 32 5.474 3.317 -4.726 239 HB3 LYS 32 HB2 LYS 32 6.899 4.335 -4.905 240 HG2 LYS 32 HG3 LYS 32 6.566 2.211 -2.804 241 HG3 LYS 32 HG2 LYS 32 7.411 2.029 -4.358 242 HD2 LYS 32 HD3 LYS 32 8.959 3.853 -3.692 243 HD3 LYS 32 HD2 LYS 32 8.129 3.981 -2.148 244 HE2 LYS 32 HE3 LYS 32 9.603 1.539 -3.135 245 HE3 LYS 32 HE2 LYS 32 10.249 2.716 -2.005 246 HZ1 LYS 32 HZ1 LYS 32 7.869 1.024 -1.571 247 HZ2 LYS 32 HZ2 LYS 32 8.513 2.101 -0.421 248 HZ3 LYS 32 HZ3 LYS 32 9.382 0.749 -0.905 249 H TRP 33 H TRP 33 6.859 6.908 -3.669 250 HA TRP 33 HA TRP 33 4.353 8.216 -4.306 251 HB2 TRP 33 HB3 TRP 33 5.678 9.029 -2.403 252 HB3 TRP 33 HB2 TRP 33 6.973 9.461 -3.511 253 HD1 TRP 33 HD1 TRP 33 3.171 10.188 -3.786 254 HE1 TRP 33 HE1 TRP 33 2.901 12.757 -4.025 255 HE3 TRP 33 HE3 TRP 33 8.054 11.568 -3.338 256 HZ2 TRP 33 HZ2 TRP 33 4.531 15.014 -3.998 257 HZ3 TRP 33 HZ3 TRP 33 8.620 13.959 -3.445 258 HH2 TRP 33 HH2 TRP 33 6.895 15.641 -3.768 259 H GLN 34 H GLN 34 4.142 9.554 -6.034 260 HA GLN 34 HA GLN 34 5.080 8.584 -8.455 261 HB2 GLN 34 HB3 GLN 34 3.932 10.541 -9.459 262 HB3 GLN 34 HB2 GLN 34 2.945 9.639 -8.321 263 HG2 GLN 34 HG3 GLN 34 3.389 11.338 -6.602 264 HG3 GLN 34 HG2 GLN 34 4.365 12.235 -7.761 265 HE21 GLN 34 HE21 GLN 34 1.949 13.045 -6.326 266 HE22 GLN 34 HE22 GLN 34 0.813 13.473 -7.532 267 H ILE 35 H ILE 35 6.356 11.182 -6.513 268 HA ILE 35 HA ILE 35 8.186 11.888 -8.677 269 HB ILE 35 HB ILE 35 7.894 13.228 -5.955 270 HG12 ILE 35 HG12 ILE 35 5.844 13.555 -7.245 271 HG13 ILE 35 HG11 ILE 35 6.740 15.059 -7.146 272 HG21 ILE 35 HG21 ILE 35 10.104 13.573 -6.915 273 HG22 ILE 35 HG22 ILE 35 9.184 15.077 -6.940 274 HG23 ILE 35 HG23 ILE 35 9.381 14.141 -8.420 275 HD11 ILE 35 HD11 ILE 35 5.794 14.752 -9.358 276 HD12 ILE 35 HD12 ILE 35 6.635 13.214 -9.529 277 HD13 ILE 35 HD13 ILE 35 7.556 14.715 -9.436 278 HN1 NH2 36 HN1 NH2 36 8.868 11.858 -5.219 279 HN2 NH2 36 HN2 NH2 36 10.142 10.693 -5.307 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -9.355 11.175 2.664 2 H2 GLY 1 H2 GLY 1 -8.741 10.696 1.159 3 H3 GLY 1 H3 GLY 1 -7.825 10.490 2.555 4 HA2 GLY 1 HA2 GLY 1 -9.391 8.882 3.399 5 HA3 GLY 1 HA3 GLY 1 -10.400 9.154 1.986 6 H CYS 2 H CYS 2 -6.874 8.575 2.473 7 HA CYS 2 HA CYS 2 -7.008 6.052 1.215 8 HB2 CYS 2 HB3 CYS 2 -5.428 6.679 -0.614 9 HB3 CYS 2 HB2 CYS 2 -7.049 7.268 -0.865 10 H LEU 3 H LEU 3 -4.389 5.775 0.560 11 HA LEU 3 HA LEU 3 -3.150 6.175 3.153 12 HB2 LEU 3 HB3 LEU 3 -2.412 4.310 0.911 13 HB3 LEU 3 HB2 LEU 3 -1.608 4.427 2.455 14 HG LEU 3 HG LEU 3 -4.406 3.425 1.961 15 HD11 LEU 3 HD11 LEU 3 -3.494 1.298 2.707 16 HD12 LEU 3 HD12 LEU 3 -1.889 2.022 2.807 17 HD13 LEU 3 HD13 LEU 3 -2.697 1.876 1.245 18 HD21 LEU 3 HD21 LEU 3 -4.404 2.833 4.347 19 HD22 LEU 3 HD22 LEU 3 -4.288 4.576 4.112 20 HD23 LEU 3 HD23 LEU 3 -2.852 3.647 4.546 21 H GLY 4 H GLY 4 -1.380 7.225 3.280 22 HA2 GLY 4 HA3 GLY 4 -0.409 8.768 0.991 23 HA3 GLY 4 HA2 GLY 4 0.024 9.035 2.676 24 H ILE 5 H ILE 5 2.081 9.239 1.534 25 HA ILE 5 HA ILE 5 3.225 6.956 0.369 26 HB ILE 5 HB ILE 5 3.844 9.084 -0.511 27 HG12 ILE 5 HG13 ILE 5 6.119 8.039 1.100 28 HG13 ILE 5 HG12 ILE 5 5.539 7.351 -0.421 29 HG21 ILE 5 HG21 ILE 5 3.404 10.506 1.397 30 HG22 ILE 5 HG22 ILE 5 5.032 10.807 0.792 31 HG23 ILE 5 HG23 ILE 5 4.799 9.839 2.247 32 HD11 ILE 5 HD11 ILE 5 7.555 8.720 -0.785 33 HD12 ILE 5 HD12 ILE 5 6.736 10.102 -0.056 34 HD13 ILE 5 HD13 ILE 5 6.153 9.436 -1.583 35 H TRP 6 H TRP 6 3.373 8.310 3.483 36 HA TRP 6 HA TRP 6 5.450 6.478 4.155 37 HB2 TRP 6 HB3 TRP 6 4.181 8.644 5.719 38 HB3 TRP 6 HB2 TRP 6 5.468 7.617 6.372 39 HD1 TRP 6 HD1 TRP 6 5.095 10.832 4.852 40 HE1 TRP 6 HE1 TRP 6 7.277 11.649 3.668 41 HE3 TRP 6 HE3 TRP 6 7.609 6.416 4.664 42 HZ2 TRP 6 HZ2 TRP 6 9.697 10.533 2.791 43 HZ3 TRP 6 HZ3 TRP 6 9.829 6.353 3.634 44 HH2 TRP 6 HH2 TRP 6 10.855 8.367 2.714 45 H LYS 7 H LYS 7 2.571 5.864 3.643 46 HA LYS 7 HA LYS 7 1.772 4.795 6.203 47 HB2 LYS 7 HB3 LYS 7 0.317 5.459 3.704 48 HB3 LYS 7 HB2 LYS 7 -0.377 4.428 4.927 49 HG2 LYS 7 HG3 LYS 7 0.597 7.240 5.442 50 HG3 LYS 7 HG2 LYS 7 -1.088 6.816 5.116 51 HD2 LYS 7 HD3 LYS 7 -1.097 5.349 7.063 52 HD3 LYS 7 HD2 LYS 7 0.578 5.752 7.396 53 HE2 LYS 7 HE3 LYS 7 -0.003 8.038 7.845 54 HE3 LYS 7 HE2 LYS 7 -1.673 7.751 7.355 55 HZ1 LYS 7 HZ1 LYS 7 -1.904 6.188 9.150 56 HZ2 LYS 7 HZ2 LYS 7 -1.443 7.677 9.778 57 HZ3 LYS 7 HZ3 LYS 7 -0.312 6.431 9.639 58 H ALA 8 H ALA 8 1.222 2.767 6.444 59 HA ALA 8 HA ALA 8 2.408 0.887 4.565 60 HB1 ALA 8 HB1 ALA 8 2.207 -0.722 6.419 61 HB2 ALA 8 HB2 ALA 8 1.410 0.509 7.391 62 HB3 ALA 8 HB3 ALA 8 3.096 0.721 6.914 63 H CYS 9 H CYS 9 1.179 -0.557 3.513 64 HA CYS 9 HA CYS 9 -1.712 -0.207 3.559 65 HB2 CYS 9 HB3 CYS 9 -1.544 -1.678 1.590 66 HB3 CYS 9 HB2 CYS 9 -0.707 -0.148 1.415 67 H ASN 10 H ASN 10 -2.710 -2.351 2.854 68 HA ASN 10 HA ASN 10 -1.909 -4.517 4.607 69 HB2 ASN 10 HB3 ASN 10 -4.425 -3.821 3.103 70 HB3 ASN 10 HB2 ASN 10 -4.154 -5.414 3.765 71 HD21 ASN 10 HD21 ASN 10 -5.915 -5.222 5.101 72 HD22 ASN 10 HD22 ASN 10 -5.980 -4.198 6.491 73 HA PRO 11 HA PRO 11 0.303 -5.726 0.763 74 HB2 PRO 11 HB3 PRO 11 0.379 -8.142 2.517 75 HB3 PRO 11 HB2 PRO 11 1.645 -7.471 1.486 76 HG2 PRO 11 HG3 PRO 11 1.768 -6.976 4.051 77 HG3 PRO 11 HG2 PRO 11 1.976 -5.620 2.925 78 HD2 PRO 11 HD3 PRO 11 -0.418 -6.366 4.556 79 HD3 PRO 11 HD2 PRO 11 0.252 -4.758 4.207 80 H SER 12 H SER 12 -2.166 -7.528 2.350 81 HA SER 12 HA SER 12 -2.615 -9.418 0.287 82 HB2 SER 12 HB3 SER 12 -3.212 -9.886 2.616 83 HB3 SER 12 HB2 SER 12 -4.433 -8.617 2.568 84 HG SER 12 HG SER 12 -4.550 -10.610 0.635 85 H ASN 13 H ASN 13 -3.622 -6.044 0.526 86 HA ASN 13 HA ASN 13 -4.998 -6.328 -1.909 87 HB2 ASN 13 HB3 ASN 13 -6.821 -7.034 -0.398 88 HB3 ASN 13 HB2 ASN 13 -6.624 -5.553 0.529 89 HD21 ASN 13 HD21 ASN 13 -8.781 -5.079 0.123 90 HD22 ASN 13 HD22 ASN 13 -9.319 -4.440 -1.388 91 H ASP 14 H ASP 14 -3.306 -4.991 -2.386 92 HA ASP 14 HA ASP 14 -3.200 -2.508 -1.094 93 HB2 ASP 14 HB3 ASP 14 -1.085 -3.209 -1.612 94 HB3 ASP 14 HB2 ASP 14 -1.545 -3.801 -3.191 95 H GLN 15 H GLN 15 -4.129 -0.710 -1.766 96 HA GLN 15 HA GLN 15 -4.652 -0.263 -4.565 97 HB2 GLN 15 HB3 GLN 15 -6.834 0.792 -4.124 98 HB3 GLN 15 HB2 GLN 15 -6.809 -0.891 -3.615 99 HG2 GLN 15 HG3 GLN 15 -6.698 -0.269 -1.311 100 HG3 GLN 15 HG2 GLN 15 -6.489 1.433 -1.728 101 HE21 GLN 15 HE21 GLN 15 -8.332 2.034 -0.555 102 HE22 GLN 15 HE22 GLN 15 -9.915 1.674 -1.105 103 H CYS 16 H CYS 16 -4.297 1.005 -1.315 104 HA CYS 16 HA CYS 16 -3.564 2.916 -0.436 105 HB2 CYS 16 HB3 CYS 16 -1.510 1.932 -1.467 106 HB3 CYS 16 HB2 CYS 16 -1.732 2.995 -2.861 107 H CYS 17 H CYS 17 -2.465 5.210 -2.108 108 HA CYS 17 HA CYS 17 -5.112 6.293 -2.680 109 HB2 CYS 17 HB3 CYS 17 -3.095 7.547 -1.389 110 HB3 CYS 17 HB2 CYS 17 -2.733 7.910 -3.068 111 H LYS 18 H LYS 18 -5.632 5.600 -4.541 112 HA LYS 18 HA LYS 18 -3.804 5.437 -6.753 113 HB2 LYS 18 HB3 LYS 18 -5.764 4.724 -8.102 114 HB3 LYS 18 HB2 LYS 18 -5.523 3.760 -6.658 115 HG2 LYS 18 HG3 LYS 18 -7.297 5.019 -5.533 116 HG3 LYS 18 HG2 LYS 18 -7.564 5.941 -7.016 117 HD2 LYS 18 HD3 LYS 18 -8.105 3.873 -8.198 118 HD3 LYS 18 HD2 LYS 18 -7.818 2.955 -6.719 119 HE2 LYS 18 HE3 LYS 18 -9.617 4.155 -5.618 120 HE3 LYS 18 HE2 LYS 18 -9.908 5.089 -7.089 121 HZ1 LYS 18 HZ1 LYS 18 -10.453 3.003 -8.204 122 HZ2 LYS 18 HZ2 LYS 18 -11.452 3.302 -6.885 123 HZ3 LYS 18 HZ3 LYS 18 -10.217 2.169 -6.749 124 H SER 19 H SER 19 -5.906 7.782 -5.506 125 HA SER 19 HA SER 19 -6.077 9.402 -7.823 126 HB2 SER 19 HB3 SER 19 -6.258 10.218 -4.920 127 HB3 SER 19 HB2 SER 19 -6.858 11.126 -6.308 128 HG SER 19 HG SER 19 -8.148 9.361 -4.914 129 H SER 20 H SER 20 -3.578 8.918 -5.364 130 HA SER 20 HA SER 20 -2.134 11.233 -6.417 131 HB2 SER 20 HB3 SER 20 -1.486 9.426 -4.130 132 HB3 SER 20 HB2 SER 20 -0.721 10.972 -4.522 133 HG SER 20 HG SER 20 -2.841 11.921 -4.237 134 H LYS 21 H LYS 21 -2.625 8.160 -7.113 135 HA LYS 21 HA LYS 21 -1.689 6.572 -8.268 136 HB2 LYS 21 HB3 LYS 21 0.395 8.643 -8.959 137 HB3 LYS 21 HB2 LYS 21 0.122 7.134 -9.832 138 HG2 LYS 21 HG3 LYS 21 -1.854 9.340 -9.469 139 HG3 LYS 21 HG2 LYS 21 -0.927 9.075 -10.961 140 HD2 LYS 21 HD3 LYS 21 -2.012 6.884 -11.229 141 HD3 LYS 21 HD2 LYS 21 -2.871 7.103 -9.709 142 HE2 LYS 21 HE3 LYS 21 -3.973 9.097 -10.694 143 HE3 LYS 21 HE2 LYS 21 -3.219 8.689 -12.237 144 HZ1 LYS 21 HZ1 LYS 21 -5.068 6.940 -10.709 145 HZ2 LYS 21 HZ2 LYS 21 -4.352 6.561 -12.182 146 HZ3 LYS 21 HZ3 LYS 21 -5.477 7.802 -12.100 147 H LEU 22 H LEU 22 -1.142 6.698 -5.581 148 HA LEU 22 HA LEU 22 1.582 5.862 -5.175 149 HB2 LEU 22 HB3 LEU 22 -0.775 6.484 -3.525 150 HB3 LEU 22 HB2 LEU 22 0.597 5.701 -2.830 151 HG LEU 22 HG LEU 22 0.918 8.410 -4.124 152 HD11 LEU 22 HD11 LEU 22 0.241 7.798 -1.224 153 HD12 LEU 22 HD12 LEU 22 -0.872 8.554 -2.360 154 HD13 LEU 22 HD13 LEU 22 0.604 9.392 -1.882 155 HD21 LEU 22 HD21 LEU 22 2.368 6.976 -1.913 156 HD22 LEU 22 HD22 LEU 22 2.789 8.550 -2.589 157 HD23 LEU 22 HD23 LEU 22 2.910 7.100 -3.585 158 H VAL 23 H VAL 23 1.882 3.935 -5.136 159 HA VAL 23 HA VAL 23 -0.170 1.909 -4.549 160 HB VAL 23 HB VAL 23 1.102 0.279 -5.942 161 HG11 VAL 23 HG11 VAL 23 0.417 1.136 -8.155 162 HG12 VAL 23 HG12 VAL 23 0.168 2.726 -7.429 163 HG13 VAL 23 HG13 VAL 23 -0.824 1.361 -6.924 164 HG21 VAL 23 HG21 VAL 23 2.659 2.683 -6.866 165 HG22 VAL 23 HG22 VAL 23 2.757 1.070 -7.578 166 HG23 VAL 23 HG23 VAL 23 3.290 1.340 -5.916 167 H CYS 24 H CYS 24 0.442 0.292 -3.071 168 HA CYS 24 HA CYS 24 2.647 1.180 -1.491 169 HB2 CYS 24 HB3 CYS 24 0.516 0.692 -0.444 170 HB3 CYS 24 HB2 CYS 24 0.612 -0.970 -1.000 171 H SER 25 H SER 25 4.423 0.027 -0.878 172 HA SER 25 HA SER 25 5.247 -1.947 -2.695 173 HB2 SER 25 HB3 SER 25 6.644 -0.683 -0.358 174 HB3 SER 25 HB2 SER 25 7.360 -1.471 -1.762 175 HG SER 25 HG SER 25 6.101 1.018 -1.560 176 H ARG 26 H ARG 26 6.108 -4.025 -1.707 177 HA ARG 26 HA ARG 26 4.230 -4.800 0.417 178 HB2 ARG 26 HB3 ARG 26 4.103 -5.935 -1.771 179 HB3 ARG 26 HB2 ARG 26 5.759 -6.487 -1.472 180 HG2 ARG 26 HG3 ARG 26 5.084 -7.879 0.323 181 HG3 ARG 26 HG2 ARG 26 3.474 -7.161 0.367 182 HD2 ARG 26 HD3 ARG 26 3.348 -9.337 -0.668 183 HD3 ARG 26 HD2 ARG 26 3.028 -8.093 -1.865 184 HE ARG 26 HE ARG 26 5.753 -9.101 -1.724 185 HH11 ARG 26 HH11 ARG 26 2.608 -9.183 -3.395 186 HH12 ARG 26 HH12 ARG 26 3.199 -10.013 -4.751 187 HH21 ARG 26 HH21 ARG 26 6.549 -10.249 -3.626 188 HH22 ARG 26 HH22 ARG 26 5.486 -10.622 -4.890 189 H LYS 27 H LYS 27 7.579 -5.186 -0.570 190 HA LYS 27 HA LYS 27 8.190 -6.688 1.801 191 HB2 LYS 27 HB3 LYS 27 10.077 -5.542 -0.254 192 HB3 LYS 27 HB2 LYS 27 10.460 -6.768 0.939 193 HG2 LYS 27 HG3 LYS 27 8.610 -7.044 -1.421 194 HG3 LYS 27 HG2 LYS 27 10.182 -7.807 -1.201 195 HD2 LYS 27 HD3 LYS 27 7.706 -8.331 0.462 196 HD3 LYS 27 HD2 LYS 27 8.335 -9.375 -0.805 197 HE2 LYS 27 HE3 LYS 27 10.406 -9.662 0.492 198 HE3 LYS 27 HE2 LYS 27 9.731 -8.660 1.771 199 HZ1 LYS 27 HZ1 LYS 27 9.473 -11.015 2.252 200 HZ2 LYS 27 HZ2 LYS 27 8.599 -11.233 0.827 201 HZ3 LYS 27 HZ3 LYS 27 7.964 -10.299 2.058 202 H THR 28 H THR 28 8.356 -3.470 0.677 203 HA THR 28 HA THR 28 9.937 -2.735 3.032 204 HB THR 28 HB THR 28 9.978 -0.436 2.050 205 HG1 THR 28 HG1 THR 28 8.872 -0.002 0.323 206 HG21 THR 28 HG21 THR 28 11.435 -0.989 0.156 207 HG22 THR 28 HG22 THR 28 10.835 -2.648 0.185 208 HG23 THR 28 HG23 THR 28 11.770 -2.024 1.546 209 H ARG 29 H ARG 29 6.860 -2.385 1.631 210 HA ARG 29 HA ARG 29 4.865 -1.893 2.285 211 HB2 ARG 29 HB3 ARG 29 5.373 -3.663 3.950 212 HB3 ARG 29 HB2 ARG 29 5.761 -2.405 5.112 213 HG2 ARG 29 HG3 ARG 29 3.497 -1.567 5.004 214 HG3 ARG 29 HG2 ARG 29 3.090 -2.763 3.773 215 HD2 ARG 29 HD3 ARG 29 3.619 -4.550 5.349 216 HD3 ARG 29 HD2 ARG 29 3.981 -3.344 6.583 217 HE ARG 29 HE ARG 29 1.376 -2.971 5.525 218 HH11 ARG 29 HH11 ARG 29 3.138 -5.094 7.754 219 HH12 ARG 29 HH12 ARG 29 1.773 -5.468 8.677 220 HH21 ARG 29 HH21 ARG 29 -0.462 -3.445 6.799 221 HH22 ARG 29 HH22 ARG 29 -0.321 -4.504 8.130 222 H TRP 30 H TRP 30 5.649 0.166 1.520 223 HA TRP 30 HA TRP 30 4.244 2.160 2.996 224 HB2 TRP 30 HB3 TRP 30 5.941 3.909 2.587 225 HB3 TRP 30 HB2 TRP 30 6.398 2.821 3.864 226 HD1 TRP 30 HD1 TRP 30 7.171 3.523 0.124 227 HE1 TRP 30 HE1 TRP 30 9.631 2.956 -0.336 228 HE3 TRP 30 HE3 TRP 30 8.420 1.635 4.698 229 HZ2 TRP 30 HZ2 TRP 30 11.835 1.855 1.070 230 HZ3 TRP 30 HZ3 TRP 30 10.728 0.856 5.068 231 HH2 TRP 30 HH2 TRP 30 12.396 0.966 3.284 232 H CYS 31 H CYS 31 3.991 3.960 1.646 233 HA CYS 31 HA CYS 31 3.329 2.711 -0.883 234 HB2 CYS 31 HB3 CYS 31 1.522 3.639 0.659 235 HB3 CYS 31 HB2 CYS 31 2.037 5.228 0.100 236 H LYS 32 H LYS 32 3.714 3.612 -2.881 237 HA LYS 32 HA LYS 32 5.231 6.085 -2.908 238 HB2 LYS 32 HB3 LYS 32 6.991 5.090 -4.350 239 HB3 LYS 32 HB2 LYS 32 6.991 4.460 -2.706 240 HG2 LYS 32 HG3 LYS 32 5.842 2.517 -3.410 241 HG3 LYS 32 HG2 LYS 32 5.727 3.108 -5.057 242 HD2 LYS 32 HD3 LYS 32 8.197 3.131 -5.213 243 HD3 LYS 32 HD2 LYS 32 8.283 2.452 -3.586 244 HE2 LYS 32 HE3 LYS 32 8.528 0.731 -5.336 245 HE3 LYS 32 HE2 LYS 32 7.125 0.462 -4.307 246 HZ1 LYS 32 HZ1 LYS 32 7.032 1.720 -7.005 247 HZ2 LYS 32 HZ2 LYS 32 5.714 1.386 -6.015 248 HZ3 LYS 32 HZ3 LYS 32 6.610 0.125 -6.649 249 H TRP 33 H TRP 33 4.818 7.262 -4.569 250 HA TRP 33 HA TRP 33 3.089 6.240 -6.639 251 HB2 TRP 33 HB3 TRP 33 2.626 8.582 -7.120 252 HB3 TRP 33 HB2 TRP 33 2.273 8.174 -5.451 253 HD1 TRP 33 HD1 TRP 33 4.916 8.867 -3.932 254 HE1 TRP 33 HE1 TRP 33 5.880 11.251 -3.947 255 HE3 TRP 33 HE3 TRP 33 2.556 10.718 -8.066 256 HZ2 TRP 33 HZ2 TRP 33 5.660 13.576 -5.431 257 HZ3 TRP 33 HZ3 TRP 33 2.978 13.047 -8.699 258 HH2 TRP 33 HH2 TRP 33 4.500 14.449 -7.398 259 H GLN 34 H GLN 34 5.841 8.192 -6.284 260 HA GLN 34 HA GLN 34 6.964 6.939 -8.683 261 HB2 GLN 34 HB3 GLN 34 7.892 9.056 -9.562 262 HB3 GLN 34 HB2 GLN 34 6.139 9.108 -9.431 263 HG2 GLN 34 HG3 GLN 34 6.267 10.518 -7.517 264 HG3 GLN 34 HG2 GLN 34 8.023 10.360 -7.464 265 HE21 GLN 34 HE21 GLN 34 9.267 11.421 -9.022 266 HE22 GLN 34 HE22 GLN 34 8.618 12.683 -9.991 267 H ILE 35 H ILE 35 7.672 8.854 -5.821 268 HA ILE 35 HA ILE 35 10.351 7.769 -5.838 269 HB ILE 35 HB ILE 35 10.719 9.337 -3.868 270 HG12 ILE 35 HG12 ILE 35 8.042 10.465 -4.771 271 HG13 ILE 35 HG11 ILE 35 8.347 9.666 -3.235 272 HG21 ILE 35 HG21 ILE 35 11.517 9.852 -6.094 273 HG22 ILE 35 HG22 ILE 35 10.954 11.320 -5.294 274 HG23 ILE 35 HG23 ILE 35 9.953 10.545 -6.520 275 HD11 ILE 35 HD11 ILE 35 9.552 12.262 -4.160 276 HD12 ILE 35 HD12 ILE 35 9.877 11.469 -2.619 277 HD13 ILE 35 HD13 ILE 35 8.259 12.076 -2.975 278 HN1 NH2 36 HN1 NH2 36 10.247 5.749 -5.178 279 HN2 NH2 36 HN2 NH2 36 9.546 5.210 -3.693 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -10.511 10.833 0.239 2 H2 GLY 1 H2 GLY 1 -10.073 9.699 -0.942 3 H3 GLY 1 H3 GLY 1 -8.922 10.777 -0.350 4 HA2 GLY 1 HA2 GLY 1 -9.126 9.742 1.840 5 HA3 GLY 1 HA3 GLY 1 -10.257 8.605 1.124 6 H CYS 2 H CYS 2 -6.988 9.407 1.608 7 HA CYS 2 HA CYS 2 -6.189 6.992 0.148 8 HB2 CYS 2 HB3 CYS 2 -4.710 9.614 0.099 9 HB3 CYS 2 HB2 CYS 2 -4.178 8.102 -0.561 10 H LEU 3 H LEU 3 -3.879 6.474 0.761 11 HA LEU 3 HA LEU 3 -3.387 6.927 3.593 12 HB2 LEU 3 HB3 LEU 3 -2.095 5.068 1.580 13 HB3 LEU 3 HB2 LEU 3 -1.667 5.172 3.269 14 HG LEU 3 HG LEU 3 -4.293 4.191 2.167 15 HD11 LEU 3 HD11 LEU 3 -2.000 2.737 3.472 16 HD12 LEU 3 HD12 LEU 3 -2.460 2.640 1.773 17 HD13 LEU 3 HD13 LEU 3 -3.542 2.017 3.019 18 HD21 LEU 3 HD21 LEU 3 -4.762 3.524 4.486 19 HD22 LEU 3 HD22 LEU 3 -4.609 5.269 4.319 20 HD23 LEU 3 HD23 LEU 3 -3.283 4.332 5.009 21 H GLY 4 H GLY 4 -0.778 6.794 3.648 22 HA2 GLY 4 HA3 GLY 4 0.118 9.079 2.006 23 HA3 GLY 4 HA2 GLY 4 0.614 8.857 3.689 24 H ILE 5 H ILE 5 2.477 9.188 1.859 25 HA ILE 5 HA ILE 5 3.284 6.843 0.598 26 HB ILE 5 HB ILE 5 3.993 8.981 -0.283 27 HG12 ILE 5 HG13 ILE 5 6.256 7.460 0.890 28 HG13 ILE 5 HG12 ILE 5 5.420 7.109 -0.627 29 HG21 ILE 5 HG21 ILE 5 5.465 9.410 2.312 30 HG22 ILE 5 HG22 ILE 5 4.048 10.299 1.756 31 HG23 ILE 5 HG23 ILE 5 5.576 10.444 0.891 32 HD11 ILE 5 HD11 ILE 5 7.593 8.186 -1.071 33 HD12 ILE 5 HD12 ILE 5 7.129 9.543 -0.048 34 HD13 ILE 5 HD13 ILE 5 6.269 9.247 -1.556 35 H TRP 6 H TRP 6 3.955 8.105 3.659 36 HA TRP 6 HA TRP 6 5.810 5.979 4.112 37 HB2 TRP 6 HB3 TRP 6 5.098 8.353 5.709 38 HB3 TRP 6 HB2 TRP 6 6.221 7.122 6.303 39 HD1 TRP 6 HD1 TRP 6 6.291 10.315 4.610 40 HE1 TRP 6 HE1 TRP 6 8.501 10.673 3.292 41 HE3 TRP 6 HE3 TRP 6 8.029 5.524 4.616 42 HZ2 TRP 6 HZ2 TRP 6 10.654 9.123 2.382 43 HZ3 TRP 6 HZ3 TRP 6 10.157 5.033 3.496 44 HH2 TRP 6 HH2 TRP 6 11.443 6.808 2.397 45 H LYS 7 H LYS 7 2.766 5.827 3.993 46 HA LYS 7 HA LYS 7 2.311 4.859 6.674 47 HB2 LYS 7 HB3 LYS 7 0.438 5.600 4.482 48 HB3 LYS 7 HB2 LYS 7 -0.045 4.826 5.970 49 HG2 LYS 7 HG3 LYS 7 0.993 6.797 7.186 50 HG3 LYS 7 HG2 LYS 7 1.129 7.576 5.608 51 HD2 LYS 7 HD3 LYS 7 -1.316 7.316 5.318 52 HD3 LYS 7 HD2 LYS 7 -1.405 6.631 6.940 53 HE2 LYS 7 HE3 LYS 7 -0.444 8.747 7.822 54 HE3 LYS 7 HE2 LYS 7 -0.512 9.400 6.185 55 HZ1 LYS 7 HZ1 LYS 7 -2.815 8.510 7.818 56 HZ2 LYS 7 HZ2 LYS 7 -2.919 8.950 6.219 57 HZ3 LYS 7 HZ3 LYS 7 -2.463 10.103 7.363 58 H ALA 8 H ALA 8 1.629 2.866 7.023 59 HA ALA 8 HA ALA 8 2.481 0.869 5.207 60 HB1 ALA 8 HB1 ALA 8 0.931 0.591 7.780 61 HB2 ALA 8 HB2 ALA 8 2.686 0.595 7.633 62 HB3 ALA 8 HB3 ALA 8 1.744 -0.713 6.916 63 H CYS 9 H CYS 9 1.408 0.158 3.598 64 HA CYS 9 HA CYS 9 -1.482 0.384 3.385 65 HB2 CYS 9 HB3 CYS 9 -0.932 -0.522 1.097 66 HB3 CYS 9 HB2 CYS 9 -0.399 1.108 1.433 67 H ASN 10 H ASN 10 -2.151 -1.692 1.839 68 HA ASN 10 HA ASN 10 -1.651 -3.985 3.548 69 HB2 ASN 10 HB3 ASN 10 -3.767 -3.423 1.481 70 HB3 ASN 10 HB2 ASN 10 -3.571 -4.925 2.340 71 HD21 ASN 10 HD21 ASN 10 -5.491 -4.945 3.335 72 HD22 ASN 10 HD22 ASN 10 -6.035 -3.778 4.484 73 HA PRO 11 HA PRO 11 1.150 -4.972 0.046 74 HB2 PRO 11 HB3 PRO 11 1.304 -7.440 1.699 75 HB3 PRO 11 HB2 PRO 11 2.605 -6.503 0.964 76 HG2 PRO 11 HG3 PRO 11 2.191 -6.293 3.557 77 HG3 PRO 11 HG2 PRO 11 2.472 -4.822 2.605 78 HD2 PRO 11 HD3 PRO 11 -0.100 -5.945 3.639 79 HD3 PRO 11 HD2 PRO 11 0.471 -4.262 3.628 80 H SER 12 H SER 12 -1.224 -7.033 1.480 81 HA SER 12 HA SER 12 -1.371 -8.752 -0.849 82 HB2 SER 12 HB3 SER 12 -1.489 -9.539 1.566 83 HB3 SER 12 HB2 SER 12 -3.101 -8.818 1.596 84 HG SER 12 HG SER 12 -3.695 -10.669 0.858 85 H ASN 13 H ASN 13 -2.777 -5.798 0.044 86 HA ASN 13 HA ASN 13 -4.996 -6.208 -1.763 87 HB2 ASN 13 HB3 ASN 13 -5.346 -5.184 1.079 88 HB3 ASN 13 HB2 ASN 13 -6.553 -4.999 -0.180 89 HD21 ASN 13 HD21 ASN 13 -7.763 -6.784 -0.781 90 HD22 ASN 13 HD22 ASN 13 -7.770 -8.264 0.094 91 H ASP 14 H ASP 14 -3.580 -5.051 -3.002 92 HA ASP 14 HA ASP 14 -2.439 -2.657 -2.193 93 HB2 ASP 14 HB3 ASP 14 -1.421 -3.948 -3.926 94 HB3 ASP 14 HB2 ASP 14 -2.859 -3.825 -4.936 95 H GLN 15 H GLN 15 -3.354 -0.753 -2.030 96 HA GLN 15 HA GLN 15 -5.456 0.099 -3.837 97 HB2 GLN 15 HB3 GLN 15 -6.733 -0.945 -2.105 98 HB3 GLN 15 HB2 GLN 15 -5.800 -0.166 -0.855 99 HG2 GLN 15 HG3 GLN 15 -6.769 1.996 -1.504 100 HG3 GLN 15 HG2 GLN 15 -7.714 1.178 -2.752 101 HE21 GLN 15 HE21 GLN 15 -8.519 2.671 -0.294 102 HE22 GLN 15 HE22 GLN 15 -9.541 1.583 0.552 103 H CYS 16 H CYS 16 -4.343 1.315 -0.675 104 HA CYS 16 HA CYS 16 -3.585 3.394 -0.028 105 HB2 CYS 16 HB3 CYS 16 -1.552 2.264 -0.975 106 HB3 CYS 16 HB2 CYS 16 -1.881 3.055 -2.513 107 H CYS 17 H CYS 17 -2.526 5.206 -2.331 108 HA CYS 17 HA CYS 17 -5.058 6.648 -2.483 109 HB2 CYS 17 HB3 CYS 17 -2.799 7.784 -1.849 110 HB3 CYS 17 HB2 CYS 17 -2.492 7.605 -3.571 111 H LYS 18 H LYS 18 -6.209 6.152 -4.098 112 HA LYS 18 HA LYS 18 -5.211 5.100 -6.595 113 HB2 LYS 18 HB3 LYS 18 -7.961 6.221 -6.118 114 HB3 LYS 18 HB2 LYS 18 -7.494 5.011 -7.298 115 HG2 LYS 18 HG3 LYS 18 -7.097 3.415 -5.519 116 HG3 LYS 18 HG2 LYS 18 -7.527 4.623 -4.312 117 HD2 LYS 18 HD3 LYS 18 -9.729 4.822 -5.660 118 HD3 LYS 18 HD2 LYS 18 -9.253 3.260 -6.329 119 HE2 LYS 18 HE3 LYS 18 -10.680 2.844 -4.466 120 HE3 LYS 18 HE2 LYS 18 -9.036 2.422 -3.984 121 HZ1 LYS 18 HZ1 LYS 18 -10.186 3.700 -2.263 122 HZ2 LYS 18 HZ2 LYS 18 -10.414 4.961 -3.350 123 HZ3 LYS 18 HZ3 LYS 18 -8.868 4.575 -2.850 124 H SER 19 H SER 19 -6.286 8.072 -5.304 125 HA SER 19 HA SER 19 -6.711 9.608 -7.589 126 HB2 SER 19 HB3 SER 19 -5.723 10.604 -4.924 127 HB3 SER 19 HB2 SER 19 -6.753 11.446 -6.084 128 HG SER 19 HG SER 19 -8.252 9.586 -5.707 129 H SER 20 H SER 20 -3.732 8.911 -5.752 130 HA SER 20 HA SER 20 -2.273 10.711 -7.546 131 HB2 SER 20 HB3 SER 20 -1.495 9.555 -4.915 132 HB3 SER 20 HB2 SER 20 -0.575 10.747 -5.858 133 HG SER 20 HG SER 20 -2.827 11.860 -5.667 134 H LYS 21 H LYS 21 -3.068 7.568 -7.230 135 HA LYS 21 HA LYS 21 -2.412 5.682 -8.056 136 HB2 LYS 21 HB3 LYS 21 -0.427 7.336 -9.619 137 HB3 LYS 21 HB2 LYS 21 -0.870 5.666 -9.978 138 HG2 LYS 21 HG3 LYS 21 -2.773 7.950 -9.879 139 HG3 LYS 21 HG2 LYS 21 -2.040 7.367 -11.385 140 HD2 LYS 21 HD3 LYS 21 -3.068 5.160 -11.017 141 HD3 LYS 21 HD2 LYS 21 -3.765 5.728 -9.503 142 HE2 LYS 21 HE3 LYS 21 -5.084 7.367 -10.717 143 HE3 LYS 21 HE2 LYS 21 -4.384 6.816 -12.237 144 HZ1 LYS 21 HZ1 LYS 21 -6.555 5.801 -11.847 145 HZ2 LYS 21 HZ2 LYS 21 -6.014 5.145 -10.395 146 HZ3 LYS 21 HZ3 LYS 21 -5.354 4.636 -11.835 147 H LEU 22 H LEU 22 -1.452 6.105 -5.571 148 HA LEU 22 HA LEU 22 1.307 5.384 -5.592 149 HB2 LEU 22 HB3 LEU 22 -0.549 6.014 -3.331 150 HB3 LEU 22 HB2 LEU 22 1.176 5.816 -3.265 151 HG LEU 22 HG LEU 22 -0.346 8.121 -4.440 152 HD11 LEU 22 HD11 LEU 22 -0.039 8.246 -2.044 153 HD12 LEU 22 HD12 LEU 22 0.951 9.463 -2.865 154 HD13 LEU 22 HD13 LEU 22 1.701 8.000 -2.249 155 HD21 LEU 22 HD21 LEU 22 2.604 7.581 -4.647 156 HD22 LEU 22 HD22 LEU 22 1.839 9.118 -5.045 157 HD23 LEU 22 HD23 LEU 22 1.454 7.673 -5.981 158 H VAL 23 H VAL 23 1.713 3.484 -5.219 159 HA VAL 23 HA VAL 23 -0.441 1.544 -4.712 160 HB VAL 23 HB VAL 23 0.983 -0.146 -5.837 161 HG11 VAL 23 HG11 VAL 23 0.496 2.366 -7.445 162 HG12 VAL 23 HG12 VAL 23 -0.673 1.079 -7.148 163 HG13 VAL 23 HG13 VAL 23 0.761 0.761 -8.123 164 HG21 VAL 23 HG21 VAL 23 2.979 0.566 -7.064 165 HG22 VAL 23 HG22 VAL 23 3.152 0.852 -5.331 166 HG23 VAL 23 HG23 VAL 23 2.793 2.195 -6.414 167 H CYS 24 H CYS 24 0.597 -0.629 -3.802 168 HA CYS 24 HA CYS 24 1.778 0.228 -1.287 169 HB2 CYS 24 HB3 CYS 24 -0.312 -1.092 -1.291 170 HB3 CYS 24 HB2 CYS 24 0.563 -2.427 -2.036 171 H SER 25 H SER 25 3.697 -0.570 -0.459 172 HA SER 25 HA SER 25 5.388 -2.010 -2.183 173 HB2 SER 25 HB3 SER 25 5.743 -0.709 0.495 174 HB3 SER 25 HB2 SER 25 7.031 -1.419 -0.458 175 HG SER 25 HG SER 25 5.499 0.857 -0.929 176 H ARG 26 H ARG 26 6.384 -3.988 -1.390 177 HA ARG 26 HA ARG 26 4.456 -5.494 0.247 178 HB2 ARG 26 HB3 ARG 26 4.904 -6.105 -2.142 179 HB3 ARG 26 HB2 ARG 26 6.530 -6.516 -1.605 180 HG2 ARG 26 HG3 ARG 26 5.690 -8.268 -0.182 181 HG3 ARG 26 HG2 ARG 26 4.023 -7.818 -0.549 182 HD2 ARG 26 HD3 ARG 26 4.438 -8.362 -2.923 183 HD3 ARG 26 HD2 ARG 26 6.061 -8.891 -2.496 184 HE ARG 26 HE ARG 26 4.378 -10.295 -0.876 185 HH11 ARG 26 HH11 ARG 26 4.930 -9.995 -4.364 186 HH12 ARG 26 HH12 ARG 26 4.265 -11.510 -4.749 187 HH21 ARG 26 HH21 ARG 26 3.458 -12.422 -1.428 188 HH22 ARG 26 HH22 ARG 26 3.425 -12.905 -3.057 189 H LYS 27 H LYS 27 7.916 -5.111 -0.339 190 HA LYS 27 HA LYS 27 8.742 -6.886 1.756 191 HB2 LYS 27 HB3 LYS 27 10.330 -4.714 0.374 192 HB3 LYS 27 HB2 LYS 27 10.964 -6.093 1.251 193 HG2 LYS 27 HG3 LYS 27 10.186 -7.598 -0.421 194 HG3 LYS 27 HG2 LYS 27 9.351 -6.292 -1.272 195 HD2 LYS 27 HD3 LYS 27 11.526 -5.210 -1.673 196 HD3 LYS 27 HD2 LYS 27 12.332 -6.557 -0.866 197 HE2 LYS 27 HE3 LYS 27 11.385 -8.096 -2.537 198 HE3 LYS 27 HE2 LYS 27 10.626 -6.727 -3.341 199 HZ1 LYS 27 HZ1 LYS 27 12.661 -7.380 -4.419 200 HZ2 LYS 27 HZ2 LYS 27 13.546 -7.100 -3.004 201 HZ3 LYS 27 HZ3 LYS 27 12.786 -5.815 -3.797 202 H THR 28 H THR 28 8.235 -3.534 1.290 203 HA THR 28 HA THR 28 9.313 -2.926 3.948 204 HB THR 28 HB THR 28 9.285 -0.547 3.079 205 HG1 THR 28 HG1 THR 28 8.752 -0.238 1.017 206 HG21 THR 28 HG21 THR 28 10.901 -2.623 1.592 207 HG22 THR 28 HG22 THR 28 11.315 -1.933 3.161 208 HG23 THR 28 HG23 THR 28 11.287 -0.908 1.724 209 H ARG 29 H ARG 29 6.457 -2.767 2.083 210 HA ARG 29 HA ARG 29 4.379 -2.137 2.382 211 HB2 ARG 29 HB3 ARG 29 4.472 -3.880 4.020 212 HB3 ARG 29 HB2 ARG 29 4.997 -2.755 5.255 213 HG2 ARG 29 HG3 ARG 29 2.870 -1.586 5.079 214 HG3 ARG 29 HG2 ARG 29 2.353 -2.727 3.832 215 HD2 ARG 29 HD3 ARG 29 1.446 -3.461 5.900 216 HD3 ARG 29 HD2 ARG 29 2.764 -4.535 5.404 217 HE ARG 29 HE ARG 29 4.002 -2.769 7.011 218 HH11 ARG 29 HH11 ARG 29 1.160 -4.838 7.470 219 HH12 ARG 29 HH12 ARG 29 1.398 -5.012 9.145 220 HH21 ARG 29 HH21 ARG 29 4.314 -3.022 9.289 221 HH22 ARG 29 HH22 ARG 29 3.225 -3.938 10.217 222 H TRP 30 H TRP 30 4.577 -0.135 1.672 223 HA TRP 30 HA TRP 30 3.432 1.885 3.165 224 HB2 TRP 30 HB3 TRP 30 5.187 3.609 2.806 225 HB3 TRP 30 HB2 TRP 30 5.598 2.497 4.077 226 HD1 TRP 30 HD1 TRP 30 6.318 2.620 0.240 227 HE1 TRP 30 HE1 TRP 30 8.813 2.251 -0.143 228 HE3 TRP 30 HE3 TRP 30 7.789 2.090 5.090 229 HZ2 TRP 30 HZ2 TRP 30 11.141 1.824 1.411 230 HZ3 TRP 30 HZ3 TRP 30 10.181 1.717 5.563 231 HH2 TRP 30 HH2 TRP 30 11.816 1.587 3.761 232 H CYS 31 H CYS 31 3.502 3.849 1.692 233 HA CYS 31 HA CYS 31 2.572 2.665 -0.708 234 HB2 CYS 31 HB3 CYS 31 2.208 5.252 0.663 235 HB3 CYS 31 HB2 CYS 31 1.759 5.094 -1.037 236 H LYS 32 H LYS 32 3.375 3.025 -2.667 237 HA LYS 32 HA LYS 32 6.054 4.125 -2.779 238 HB2 LYS 32 HB3 LYS 32 4.417 2.874 -4.989 239 HB3 LYS 32 HB2 LYS 32 6.122 3.298 -5.052 240 HG2 LYS 32 HG3 LYS 32 6.548 1.670 -3.269 241 HG3 LYS 32 HG2 LYS 32 4.855 1.198 -3.348 242 HD2 LYS 32 HD3 LYS 32 5.139 0.565 -5.705 243 HD3 LYS 32 HD2 LYS 32 6.826 1.055 -5.628 244 HE2 LYS 32 HE3 LYS 32 5.540 -1.136 -4.021 245 HE3 LYS 32 HE2 LYS 32 6.587 -1.364 -5.415 246 HZ1 LYS 32 HZ1 LYS 32 7.851 -1.665 -3.406 247 HZ2 LYS 32 HZ2 LYS 32 7.376 -0.170 -2.800 248 HZ3 LYS 32 HZ3 LYS 32 8.375 -0.250 -4.149 249 H TRP 33 H TRP 33 6.605 5.732 -4.158 250 HA TRP 33 HA TRP 33 4.534 7.694 -4.345 251 HB2 TRP 33 HB3 TRP 33 6.811 8.194 -3.414 252 HB3 TRP 33 HB2 TRP 33 7.457 7.981 -5.036 253 HD1 TRP 33 HD1 TRP 33 7.727 10.109 -6.290 254 HE1 TRP 33 HE1 TRP 33 6.655 12.445 -6.301 255 HE3 TRP 33 HE3 TRP 33 4.214 9.357 -2.692 256 HZ2 TRP 33 HZ2 TRP 33 4.571 13.796 -4.928 257 HZ3 TRP 33 HZ3 TRP 33 2.719 11.212 -2.089 258 HH2 TRP 33 HH2 TRP 33 2.897 13.379 -3.186 259 H GLN 34 H GLN 34 4.424 9.032 -6.341 260 HA GLN 34 HA GLN 34 3.602 7.391 -8.469 261 HB2 GLN 34 HB3 GLN 34 3.078 9.520 -9.622 262 HB3 GLN 34 HB2 GLN 34 2.411 9.411 -8.001 263 HG2 GLN 34 HG3 GLN 34 4.293 10.801 -7.182 264 HG3 GLN 34 HG2 GLN 34 4.844 10.970 -8.846 265 HE21 GLN 34 HE21 GLN 34 4.581 13.201 -8.732 266 HE22 GLN 34 HE22 GLN 34 3.020 13.932 -8.801 267 H ILE 35 H ILE 35 6.596 8.961 -7.848 268 HA ILE 35 HA ILE 35 7.471 8.104 -10.490 269 HB ILE 35 HB ILE 35 9.333 9.800 -10.358 270 HG12 ILE 35 HG12 ILE 35 7.670 11.027 -8.149 271 HG13 ILE 35 HG11 ILE 35 9.208 10.200 -7.898 272 HG21 ILE 35 HG21 ILE 35 6.523 10.869 -10.415 273 HG22 ILE 35 HG22 ILE 35 7.427 10.185 -11.765 274 HG23 ILE 35 HG23 ILE 35 7.945 11.706 -11.037 275 HD11 ILE 35 HD11 ILE 35 10.324 11.899 -9.248 276 HD12 ILE 35 HD12 ILE 35 9.460 12.606 -7.879 277 HD13 ILE 35 HD13 ILE 35 8.774 12.706 -9.501 278 HN1 NH2 36 HN1 NH2 36 8.242 6.186 -10.151 279 HN2 NH2 36 HN2 NH2 36 9.429 5.758 -8.973 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -9.243 10.902 2.006 2 H2 GLY 1 H2 GLY 1 -8.960 10.218 3.516 3 H3 GLY 1 H3 GLY 1 -10.519 10.193 2.872 4 HA2 GLY 1 HA2 GLY 1 -9.450 8.045 2.682 5 HA3 GLY 1 HA3 GLY 1 -9.734 8.744 1.091 6 H CYS 2 H CYS 2 -7.996 7.079 0.666 7 HA CYS 2 HA CYS 2 -5.996 6.582 -0.056 8 HB2 CYS 2 HB3 CYS 2 -5.302 9.461 0.469 9 HB3 CYS 2 HB2 CYS 2 -4.315 8.290 -0.360 10 H LEU 3 H LEU 3 -3.622 6.593 0.526 11 HA LEU 3 HA LEU 3 -3.215 6.686 3.382 12 HB2 LEU 3 HB3 LEU 3 -2.161 4.710 1.353 13 HB3 LEU 3 HB2 LEU 3 -1.627 4.823 3.012 14 HG LEU 3 HG LEU 3 -4.399 4.025 2.103 15 HD11 LEU 3 HD11 LEU 3 -2.743 2.322 1.621 16 HD12 LEU 3 HD12 LEU 3 -3.784 1.819 2.955 17 HD13 LEU 3 HD13 LEU 3 -2.156 2.409 3.280 18 HD21 LEU 3 HD21 LEU 3 -4.773 3.442 4.457 19 HD22 LEU 3 HD22 LEU 3 -4.471 5.164 4.254 20 HD23 LEU 3 HD23 LEU 3 -3.195 4.113 4.872 21 H GLY 4 H GLY 4 -0.966 7.082 3.800 22 HA2 GLY 4 HA3 GLY 4 0.115 9.008 1.889 23 HA3 GLY 4 HA2 GLY 4 0.559 8.877 3.591 24 H ILE 5 H ILE 5 2.451 9.195 1.891 25 HA ILE 5 HA ILE 5 3.407 6.923 0.635 26 HB ILE 5 HB ILE 5 4.112 9.096 -0.120 27 HG12 ILE 5 HG13 ILE 5 6.345 7.611 1.164 28 HG13 ILE 5 HG12 ILE 5 5.654 7.320 -0.438 29 HG21 ILE 5 HG21 ILE 5 3.946 10.337 1.954 30 HG22 ILE 5 HG22 ILE 5 5.521 10.586 1.207 31 HG23 ILE 5 HG23 ILE 5 5.366 9.502 2.588 32 HD11 ILE 5 HD11 ILE 5 6.473 9.558 -1.150 33 HD12 ILE 5 HD12 ILE 5 7.793 8.496 -0.663 34 HD13 ILE 5 HD13 ILE 5 7.229 9.759 0.430 35 H TRP 6 H TRP 6 3.861 8.014 3.805 36 HA TRP 6 HA TRP 6 5.681 5.832 4.173 37 HB2 TRP 6 HB3 TRP 6 5.112 8.226 5.799 38 HB3 TRP 6 HB2 TRP 6 6.145 6.916 6.394 39 HD1 TRP 6 HD1 TRP 6 6.415 10.105 4.560 40 HE1 TRP 6 HE1 TRP 6 8.658 10.283 3.294 41 HE3 TRP 6 HE3 TRP 6 7.935 5.250 4.919 42 HZ2 TRP 6 HZ2 TRP 6 10.790 8.578 2.568 43 HZ3 TRP 6 HZ3 TRP 6 10.066 4.604 3.917 44 HH2 TRP 6 HH2 TRP 6 11.472 6.237 2.764 45 H LYS 7 H LYS 7 2.667 5.837 4.015 46 HA LYS 7 HA LYS 7 2.082 4.940 6.694 47 HB2 LYS 7 HB3 LYS 7 0.371 5.691 4.397 48 HB3 LYS 7 HB2 LYS 7 -0.262 4.635 5.639 49 HG2 LYS 7 HG3 LYS 7 0.485 6.466 7.290 50 HG3 LYS 7 HG2 LYS 7 0.667 7.492 5.869 51 HD2 LYS 7 HD3 LYS 7 -1.701 7.146 5.311 52 HD3 LYS 7 HD2 LYS 7 -1.867 6.074 6.689 53 HE2 LYS 7 HE3 LYS 7 -1.177 9.013 6.818 54 HE3 LYS 7 HE2 LYS 7 -2.754 8.311 7.151 55 HZ1 LYS 7 HZ1 LYS 7 -0.259 7.853 8.705 56 HZ2 LYS 7 HZ2 LYS 7 -1.726 7.093 9.019 57 HZ3 LYS 7 HZ3 LYS 7 -1.595 8.749 9.201 58 H ALA 8 H ALA 8 1.032 3.008 7.091 59 HA ALA 8 HA ALA 8 2.240 0.862 5.614 60 HB1 ALA 8 HB1 ALA 8 1.439 -0.547 7.446 61 HB2 ALA 8 HB2 ALA 8 0.562 0.825 8.124 62 HB3 ALA 8 HB3 ALA 8 2.324 0.848 8.061 63 H CYS 9 H CYS 9 1.245 0.246 3.893 64 HA CYS 9 HA CYS 9 -1.646 0.248 3.694 65 HB2 CYS 9 HB3 CYS 9 -1.013 -0.510 1.355 66 HB3 CYS 9 HB2 CYS 9 -0.666 1.152 1.772 67 H ASN 10 H ASN 10 -2.165 -1.777 2.091 68 HA ASN 10 HA ASN 10 -1.357 -4.114 3.611 69 HB2 ASN 10 HB3 ASN 10 -3.763 -3.508 1.924 70 HB3 ASN 10 HB2 ASN 10 -3.346 -5.107 2.486 71 HD21 ASN 10 HD21 ASN 10 -5.733 -3.753 2.981 72 HD22 ASN 10 HD22 ASN 10 -5.867 -3.507 4.691 73 HA PRO 11 HA PRO 11 0.872 -4.886 -0.327 74 HB2 PRO 11 HB3 PRO 11 1.472 -7.320 1.275 75 HB3 PRO 11 HB2 PRO 11 2.551 -6.318 0.312 76 HG2 PRO 11 HG3 PRO 11 2.622 -6.129 2.953 77 HG3 PRO 11 HG2 PRO 11 2.686 -4.654 1.967 78 HD2 PRO 11 HD3 PRO 11 0.377 -5.829 3.464 79 HD3 PRO 11 HD2 PRO 11 0.871 -4.130 3.313 80 H SER 12 H SER 12 -1.080 -6.920 1.623 81 HA SER 12 HA SER 12 -1.792 -8.941 -0.250 82 HB2 SER 12 HB3 SER 12 -1.961 -9.175 2.231 83 HB3 SER 12 HB2 SER 12 -3.283 -8.007 2.206 84 HG SER 12 HG SER 12 -4.585 -9.514 1.610 85 H ASN 13 H ASN 13 -2.944 -5.680 0.266 86 HA ASN 13 HA ASN 13 -5.064 -6.052 -1.627 87 HB2 ASN 13 HB3 ASN 13 -5.499 -5.438 1.275 88 HB3 ASN 13 HB2 ASN 13 -6.526 -4.636 0.104 89 HD21 ASN 13 HD21 ASN 13 -6.962 -6.778 2.203 90 HD22 ASN 13 HD22 ASN 13 -7.808 -8.015 1.363 91 H ASP 14 H ASP 14 -3.648 -4.912 -2.802 92 HA ASP 14 HA ASP 14 -2.524 -2.516 -1.950 93 HB2 ASP 14 HB3 ASP 14 -1.380 -3.777 -3.594 94 HB3 ASP 14 HB2 ASP 14 -2.757 -3.759 -4.682 95 H GLN 15 H GLN 15 -3.360 -0.525 -2.006 96 HA GLN 15 HA GLN 15 -5.224 0.270 -4.048 97 HB2 GLN 15 HB3 GLN 15 -6.705 -0.589 -2.244 98 HB3 GLN 15 HB2 GLN 15 -5.963 0.547 -1.124 99 HG2 GLN 15 HG3 GLN 15 -6.683 2.381 -2.671 100 HG3 GLN 15 HG2 GLN 15 -7.614 1.170 -3.547 101 HE21 GLN 15 HE21 GLN 15 -8.476 3.533 -2.156 102 HE22 GLN 15 HE22 GLN 15 -9.595 3.027 -0.955 103 H CYS 16 H CYS 16 -4.267 1.450 -0.830 104 HA CYS 16 HA CYS 16 -3.461 3.462 -0.097 105 HB2 CYS 16 HB3 CYS 16 -1.465 2.390 -1.191 106 HB3 CYS 16 HB2 CYS 16 -1.832 3.302 -2.651 107 H CYS 17 H CYS 17 -2.515 5.525 -2.168 108 HA CYS 17 HA CYS 17 -5.163 6.696 -2.391 109 HB2 CYS 17 HB3 CYS 17 -2.987 8.010 -1.762 110 HB3 CYS 17 HB2 CYS 17 -2.715 7.930 -3.499 111 H LYS 18 H LYS 18 -6.323 6.307 -4.033 112 HA LYS 18 HA LYS 18 -5.272 5.148 -6.450 113 HB2 LYS 18 HB3 LYS 18 -8.061 5.889 -5.583 114 HB3 LYS 18 HB2 LYS 18 -7.686 5.143 -7.127 115 HG2 LYS 18 HG3 LYS 18 -6.965 3.147 -6.112 116 HG3 LYS 18 HG2 LYS 18 -6.876 3.901 -4.523 117 HD2 LYS 18 HD3 LYS 18 -8.840 2.436 -4.743 118 HD3 LYS 18 HD2 LYS 18 -9.270 4.115 -4.448 119 HE2 LYS 18 HE3 LYS 18 -9.760 4.397 -6.835 120 HE3 LYS 18 HE2 LYS 18 -9.324 2.710 -7.115 121 HZ1 LYS 18 HZ1 LYS 18 -11.728 3.026 -6.900 122 HZ2 LYS 18 HZ2 LYS 18 -11.526 3.614 -5.336 123 HZ3 LYS 18 HZ3 LYS 18 -11.124 2.021 -5.694 124 H SER 19 H SER 19 -6.275 8.211 -5.368 125 HA SER 19 HA SER 19 -6.573 9.386 -7.930 126 HB2 SER 19 HB3 SER 19 -5.994 10.719 -5.278 127 HB3 SER 19 HB2 SER 19 -6.530 11.540 -6.745 128 HG SER 19 HG SER 19 -8.054 9.387 -5.934 129 H SER 20 H SER 20 -3.831 9.043 -5.692 130 HA SER 20 HA SER 20 -2.210 10.773 -7.376 131 HB2 SER 20 HB3 SER 20 -1.575 9.361 -4.823 132 HB3 SER 20 HB2 SER 20 -0.608 10.625 -5.600 133 HG SER 20 HG SER 20 -3.016 11.601 -5.407 134 H LYS 21 H LYS 21 -2.974 7.540 -6.995 135 HA LYS 21 HA LYS 21 -2.367 5.724 -7.876 136 HB2 LYS 21 HB3 LYS 21 -0.399 7.290 -9.537 137 HB3 LYS 21 HB2 LYS 21 -0.913 5.631 -9.850 138 HG2 LYS 21 HG3 LYS 21 -2.714 8.005 -9.806 139 HG3 LYS 21 HG2 LYS 21 -2.002 7.362 -11.295 140 HD2 LYS 21 HD3 LYS 21 -3.119 5.188 -10.802 141 HD3 LYS 21 HD2 LYS 21 -3.889 5.941 -9.404 142 HE2 LYS 21 HE3 LYS 21 -4.225 6.819 -12.271 143 HE3 LYS 21 HE2 LYS 21 -5.375 5.855 -11.351 144 HZ1 LYS 21 HZ1 LYS 21 -4.552 8.639 -10.751 145 HZ2 LYS 21 HZ2 LYS 21 -5.600 7.706 -9.800 146 HZ3 LYS 21 HZ3 LYS 21 -6.044 8.134 -11.366 147 H LEU 22 H LEU 22 -1.451 5.620 -5.555 148 HA LEU 22 HA LEU 22 1.397 5.392 -5.557 149 HB2 LEU 22 HB3 LEU 22 -0.633 5.621 -3.378 150 HB3 LEU 22 HB2 LEU 22 1.094 5.518 -3.162 151 HG LEU 22 HG LEU 22 -0.444 7.814 -4.371 152 HD11 LEU 22 HD11 LEU 22 1.100 7.608 -1.790 153 HD12 LEU 22 HD12 LEU 22 -0.654 7.683 -1.957 154 HD13 LEU 22 HD13 LEU 22 0.335 9.069 -2.417 155 HD21 LEU 22 HD21 LEU 22 1.710 9.008 -4.424 156 HD22 LEU 22 HD22 LEU 22 1.702 7.599 -5.484 157 HD23 LEU 22 HD23 LEU 22 2.518 7.522 -3.920 158 H VAL 23 H VAL 23 2.093 3.487 -5.145 159 HA VAL 23 HA VAL 23 0.146 1.303 -4.887 160 HB VAL 23 HB VAL 23 1.174 1.183 -7.001 161 HG11 VAL 23 HG11 VAL 23 3.816 1.202 -5.574 162 HG12 VAL 23 HG12 VAL 23 3.189 2.447 -6.660 163 HG13 VAL 23 HG13 VAL 23 3.642 0.862 -7.295 164 HG21 VAL 23 HG21 VAL 23 2.368 -0.951 -5.247 165 HG22 VAL 23 HG22 VAL 23 2.269 -1.041 -7.005 166 HG23 VAL 23 HG23 VAL 23 0.793 -0.988 -6.041 167 H CYS 24 H CYS 24 0.657 -0.426 -3.659 168 HA CYS 24 HA CYS 24 2.077 0.376 -1.268 169 HB2 CYS 24 HB3 CYS 24 -0.137 -0.683 -1.103 170 HB3 CYS 24 HB2 CYS 24 0.528 -2.151 -1.822 171 H SER 25 H SER 25 3.999 -0.273 -0.733 172 HA SER 25 HA SER 25 5.399 -2.077 -2.376 173 HB2 SER 25 HB3 SER 25 6.562 -0.134 -1.434 174 HB3 SER 25 HB2 SER 25 6.250 -0.728 0.195 175 HG SER 25 HG SER 25 8.246 -1.413 -0.251 176 H ARG 26 H ARG 26 6.212 -4.070 -1.637 177 HA ARG 26 HA ARG 26 4.306 -5.361 0.171 178 HB2 ARG 26 HB3 ARG 26 4.509 -6.081 -2.199 179 HB3 ARG 26 HB2 ARG 26 6.184 -6.476 -1.806 180 HG2 ARG 26 HG3 ARG 26 5.550 -8.258 -0.375 181 HG3 ARG 26 HG2 ARG 26 3.856 -7.776 -0.402 182 HD2 ARG 26 HD3 ARG 26 5.423 -8.791 -2.773 183 HD3 ARG 26 HD2 ARG 26 4.281 -9.738 -1.825 184 HE ARG 26 HE ARG 26 3.153 -7.327 -2.863 185 HH11 ARG 26 HH11 ARG 26 3.915 -10.667 -3.741 186 HH12 ARG 26 HH12 ARG 26 2.659 -10.823 -4.869 187 HH21 ARG 26 HH21 ARG 26 1.457 -7.493 -4.423 188 HH22 ARG 26 HH22 ARG 26 1.223 -8.918 -5.303 189 H LYS 27 H LYS 27 7.708 -5.040 -0.562 190 HA LYS 27 HA LYS 27 8.492 -6.807 1.569 191 HB2 LYS 27 HB3 LYS 27 10.154 -4.925 -0.102 192 HB3 LYS 27 HB2 LYS 27 10.781 -6.143 0.994 193 HG2 LYS 27 HG3 LYS 27 9.180 -6.668 -1.502 194 HG3 LYS 27 HG2 LYS 27 10.926 -6.856 -1.332 195 HD2 LYS 27 HD3 LYS 27 10.478 -8.551 0.446 196 HD3 LYS 27 HD2 LYS 27 8.760 -8.423 0.060 197 HE2 LYS 27 HE3 LYS 27 10.946 -9.243 -1.851 198 HE3 LYS 27 HE2 LYS 27 9.800 -10.327 -1.066 199 HZ1 LYS 27 HZ1 LYS 27 9.045 -8.163 -2.976 200 HZ2 LYS 27 HZ2 LYS 27 8.009 -9.305 -2.294 201 HZ3 LYS 27 HZ3 LYS 27 9.199 -9.787 -3.356 202 H THR 28 H THR 28 7.970 -3.462 1.101 203 HA THR 28 HA THR 28 9.175 -3.022 3.766 204 HB THR 28 HB THR 28 9.517 -0.621 3.154 205 HG1 THR 28 HG1 THR 28 8.905 0.078 1.294 206 HG21 THR 28 HG21 THR 28 11.453 -1.051 1.738 207 HG22 THR 28 HG22 THR 28 10.837 -2.664 1.369 208 HG23 THR 28 HG23 THR 28 11.324 -2.260 3.017 209 H ARG 29 H ARG 29 6.290 -2.771 2.056 210 HA ARG 29 HA ARG 29 4.239 -2.131 2.518 211 HB2 ARG 29 HB3 ARG 29 4.541 -3.746 4.323 212 HB3 ARG 29 HB2 ARG 29 5.110 -2.464 5.378 213 HG2 ARG 29 HG3 ARG 29 2.924 -1.385 5.225 214 HG3 ARG 29 HG2 ARG 29 2.358 -2.707 4.198 215 HD2 ARG 29 HD3 ARG 29 2.840 -4.290 5.974 216 HD3 ARG 29 HD2 ARG 29 3.419 -2.964 6.984 217 HE ARG 29 HE ARG 29 0.707 -2.816 5.992 218 HH11 ARG 29 HH11 ARG 29 2.922 -3.446 8.694 219 HH12 ARG 29 HH12 ARG 29 1.723 -3.399 9.891 220 HH21 ARG 29 HH21 ARG 29 -0.965 -2.731 7.681 221 HH22 ARG 29 HH22 ARG 29 -0.540 -2.981 9.300 222 H TRP 30 H TRP 30 4.673 -0.133 1.613 223 HA TRP 30 HA TRP 30 3.527 1.978 3.016 224 HB2 TRP 30 HB3 TRP 30 5.321 3.656 2.683 225 HB3 TRP 30 HB2 TRP 30 5.652 2.548 3.982 226 HD1 TRP 30 HD1 TRP 30 6.554 2.427 0.162 227 HE1 TRP 30 HE1 TRP 30 9.128 2.081 -0.026 228 HE3 TRP 30 HE3 TRP 30 7.746 2.362 5.126 229 HZ2 TRP 30 HZ2 TRP 30 11.324 1.843 1.703 230 HZ3 TRP 30 HZ3 TRP 30 10.093 2.082 5.773 231 HH2 TRP 30 HH2 TRP 30 11.844 1.828 4.097 232 H CYS 31 H CYS 31 3.615 3.928 1.603 233 HA CYS 31 HA CYS 31 2.790 2.822 -0.869 234 HB2 CYS 31 HB3 CYS 31 2.281 5.320 0.627 235 HB3 CYS 31 HB2 CYS 31 1.875 5.230 -1.091 236 H LYS 32 H LYS 32 3.764 3.141 -2.699 237 HA LYS 32 HA LYS 32 6.314 4.474 -2.710 238 HB2 LYS 32 HB3 LYS 32 4.908 2.935 -4.898 239 HB3 LYS 32 HB2 LYS 32 6.596 3.444 -4.901 240 HG2 LYS 32 HG3 LYS 32 7.047 2.069 -2.985 241 HG3 LYS 32 HG2 LYS 32 5.364 1.593 -2.895 242 HD2 LYS 32 HD3 LYS 32 6.639 -0.200 -3.926 243 HD3 LYS 32 HD2 LYS 32 5.587 0.517 -5.135 244 HE2 LYS 32 HE3 LYS 32 7.505 1.840 -5.968 245 HE3 LYS 32 HE2 LYS 32 8.532 1.045 -4.778 246 HZ1 LYS 32 HZ1 LYS 32 8.715 -0.039 -6.937 247 HZ2 LYS 32 HZ2 LYS 32 7.051 -0.283 -6.969 248 HZ3 LYS 32 HZ3 LYS 32 7.984 -1.088 -5.825 249 H TRP 33 H TRP 33 6.650 6.331 -3.538 250 HA TRP 33 HA TRP 33 4.486 8.068 -3.990 251 HB2 TRP 33 HB3 TRP 33 6.751 8.599 -2.955 252 HB3 TRP 33 HB2 TRP 33 7.368 8.682 -4.596 253 HD1 TRP 33 HD1 TRP 33 3.948 10.127 -3.550 254 HE1 TRP 33 HE1 TRP 33 4.010 12.679 -3.904 255 HE3 TRP 33 HE3 TRP 33 8.885 10.685 -4.764 256 HZ2 TRP 33 HZ2 TRP 33 5.877 14.647 -4.556 257 HZ3 TRP 33 HZ3 TRP 33 9.728 12.954 -5.223 258 HH2 TRP 33 HH2 TRP 33 8.255 14.886 -5.122 259 H GLN 34 H GLN 34 4.023 9.335 -5.813 260 HA GLN 34 HA GLN 34 3.843 7.855 -8.223 261 HB2 GLN 34 HB3 GLN 34 2.763 9.966 -9.091 262 HB3 GLN 34 HB2 GLN 34 2.004 9.230 -7.685 263 HG2 GLN 34 HG3 GLN 34 3.160 10.891 -6.249 264 HG3 GLN 34 HG2 GLN 34 3.811 11.643 -7.699 265 HE21 GLN 34 HE21 GLN 34 1.350 11.267 -9.220 266 HE22 GLN 34 HE22 GLN 34 0.233 12.421 -8.600 267 H ILE 35 H ILE 35 6.219 9.845 -7.041 268 HA ILE 35 HA ILE 35 7.379 10.160 -9.700 269 HB ILE 35 HB ILE 35 7.941 11.791 -7.189 270 HG12 ILE 35 HG12 ILE 35 6.629 12.575 -9.803 271 HG13 ILE 35 HG11 ILE 35 5.790 12.323 -8.280 272 HG21 ILE 35 HG21 ILE 35 9.113 12.067 -9.960 273 HG22 ILE 35 HG22 ILE 35 9.972 11.500 -8.526 274 HG23 ILE 35 HG23 ILE 35 9.400 13.167 -8.612 275 HD11 ILE 35 HD11 ILE 35 6.071 14.683 -8.755 276 HD12 ILE 35 HD12 ILE 35 7.818 14.469 -8.863 277 HD13 ILE 35 HD13 ILE 35 6.993 14.229 -7.322 278 HN1 NH2 36 HN1 NH2 36 8.699 8.545 -10.018 279 HN2 NH2 36 HN2 NH2 36 9.717 7.776 -8.853 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -11.090 9.475 0.799 2 H2 GLY 1 H2 GLY 1 -9.701 10.101 0.071 3 H3 GLY 1 H3 GLY 1 -9.719 9.860 1.735 4 HA2 GLY 1 HA2 GLY 1 -9.863 7.494 1.398 5 HA3 GLY 1 HA3 GLY 1 -9.799 7.785 -0.341 6 H CYS 2 H CYS 2 -7.841 6.614 -0.490 7 HA CYS 2 HA CYS 2 -5.679 6.399 -0.744 8 HB2 CYS 2 HB3 CYS 2 -5.485 9.298 0.047 9 HB3 CYS 2 HB2 CYS 2 -4.221 8.317 -0.649 10 H LEU 3 H LEU 3 -3.535 6.637 0.343 11 HA LEU 3 HA LEU 3 -3.714 6.642 3.245 12 HB2 LEU 3 HB3 LEU 3 -2.089 4.885 1.413 13 HB3 LEU 3 HB2 LEU 3 -1.864 4.993 3.140 14 HG LEU 3 HG LEU 3 -4.323 3.928 1.741 15 HD11 LEU 3 HD11 LEU 3 -3.606 1.781 2.621 16 HD12 LEU 3 HD12 LEU 3 -2.159 2.530 3.293 17 HD13 LEU 3 HD13 LEU 3 -2.386 2.461 1.545 18 HD21 LEU 3 HD21 LEU 3 -5.029 3.222 3.986 19 HD22 LEU 3 HD22 LEU 3 -4.906 4.974 3.868 20 HD23 LEU 3 HD23 LEU 3 -3.639 4.054 4.683 21 H GLY 4 H GLY 4 -1.155 6.619 3.785 22 HA2 GLY 4 HA3 GLY 4 -0.117 9.032 2.442 23 HA3 GLY 4 HA2 GLY 4 0.194 8.633 4.138 24 H ILE 5 H ILE 5 2.178 9.199 2.351 25 HA ILE 5 HA ILE 5 3.119 6.973 1.033 26 HB ILE 5 HB ILE 5 3.759 9.193 0.332 27 HG12 ILE 5 HG13 ILE 5 6.023 7.578 1.376 28 HG13 ILE 5 HG12 ILE 5 5.209 7.406 -0.182 29 HG21 ILE 5 HG21 ILE 5 5.277 10.605 1.614 30 HG22 ILE 5 HG22 ILE 5 5.243 9.442 2.939 31 HG23 ILE 5 HG23 ILE 5 3.777 10.315 2.499 32 HD11 ILE 5 HD11 ILE 5 6.051 9.657 -0.822 33 HD12 ILE 5 HD12 ILE 5 7.362 8.519 -0.498 34 HD13 ILE 5 HD13 ILE 5 6.925 9.728 0.707 35 H TRP 6 H TRP 6 3.862 8.141 4.145 36 HA TRP 6 HA TRP 6 5.797 6.083 4.531 37 HB2 TRP 6 HB3 TRP 6 4.790 8.254 6.283 38 HB3 TRP 6 HB2 TRP 6 5.954 7.051 6.855 39 HD1 TRP 6 HD1 TRP 6 5.819 10.321 5.115 40 HE1 TRP 6 HE1 TRP 6 8.107 10.881 4.079 41 HE3 TRP 6 HE3 TRP 6 8.046 5.789 5.630 42 HZ2 TRP 6 HZ2 TRP 6 10.544 9.558 3.564 43 HZ3 TRP 6 HZ3 TRP 6 10.334 5.494 4.850 44 HH2 TRP 6 HH2 TRP 6 11.574 7.350 3.829 45 H LYS 7 H LYS 7 2.664 5.785 4.381 46 HA LYS 7 HA LYS 7 2.265 4.628 6.982 47 HB2 LYS 7 HB3 LYS 7 0.404 5.211 4.736 48 HB3 LYS 7 HB2 LYS 7 -0.052 4.369 6.192 49 HG2 LYS 7 HG3 LYS 7 0.707 6.377 7.503 50 HG3 LYS 7 HG2 LYS 7 0.902 7.217 5.966 51 HD2 LYS 7 HD3 LYS 7 -1.459 6.910 5.474 52 HD3 LYS 7 HD2 LYS 7 -1.668 5.995 6.964 53 HE2 LYS 7 HE3 LYS 7 -2.456 8.227 7.311 54 HE3 LYS 7 HE2 LYS 7 -0.973 8.011 8.234 55 HZ1 LYS 7 HZ1 LYS 7 -1.194 9.382 5.605 56 HZ2 LYS 7 HZ2 LYS 7 0.233 9.266 6.531 57 HZ3 LYS 7 HZ3 LYS 7 -1.092 10.128 7.097 58 H ALA 8 H ALA 8 1.883 2.616 7.320 59 HA ALA 8 HA ALA 8 2.867 0.728 5.395 60 HB1 ALA 8 HB1 ALA 8 3.415 0.474 7.773 61 HB2 ALA 8 HB2 ALA 8 2.531 -0.931 7.175 62 HB3 ALA 8 HB3 ALA 8 1.704 0.285 8.148 63 H CYS 9 H CYS 9 1.634 -0.022 3.883 64 HA CYS 9 HA CYS 9 -1.249 -0.067 4.195 65 HB2 CYS 9 HB3 CYS 9 -1.077 -0.615 1.731 66 HB3 CYS 9 HB2 CYS 9 -0.645 1.008 2.218 67 H ASN 10 H ASN 10 -2.015 -1.967 2.528 68 HA ASN 10 HA ASN 10 -0.945 -4.432 3.673 69 HB2 ASN 10 HB3 ASN 10 -3.674 -3.474 3.100 70 HB3 ASN 10 HB2 ASN 10 -3.345 -5.162 2.763 71 HD21 ASN 10 HD21 ASN 10 -4.745 -5.815 4.351 72 HD22 ASN 10 HD22 ASN 10 -4.427 -5.667 6.039 73 HA PRO 11 HA PRO 11 0.443 -4.964 -0.602 74 HB2 PRO 11 HB3 PRO 11 0.773 -7.693 0.558 75 HB3 PRO 11 HB2 PRO 11 1.893 -6.755 -0.432 76 HG2 PRO 11 HG3 PRO 11 2.332 -6.939 2.153 77 HG3 PRO 11 HG2 PRO 11 2.489 -5.359 1.360 78 HD2 PRO 11 HD3 PRO 11 0.262 -6.404 3.054 79 HD3 PRO 11 HD2 PRO 11 0.995 -4.786 3.014 80 H SER 12 H SER 12 -1.634 -7.182 1.137 81 HA SER 12 HA SER 12 -2.654 -8.427 -1.272 82 HB2 SER 12 HB3 SER 12 -2.186 -9.686 0.848 83 HB3 SER 12 HB2 SER 12 -3.514 -8.814 1.601 84 HG SER 12 HG SER 12 -4.657 -9.777 -0.443 85 H ASN 13 H ASN 13 -3.305 -5.578 0.258 86 HA ASN 13 HA ASN 13 -6.046 -5.478 -0.804 87 HB2 ASN 13 HB3 ASN 13 -5.148 -4.243 1.836 88 HB3 ASN 13 HB2 ASN 13 -6.735 -4.065 1.119 89 HD21 ASN 13 HD21 ASN 13 -8.153 -5.859 1.169 90 HD22 ASN 13 HD22 ASN 13 -7.933 -7.145 2.300 91 H ASP 14 H ASP 14 -3.629 -4.854 -1.947 92 HA ASP 14 HA ASP 14 -2.532 -2.367 -1.627 93 HB2 ASP 14 HB3 ASP 14 -1.465 -4.001 -3.022 94 HB3 ASP 14 HB2 ASP 14 -2.816 -3.994 -4.151 95 H GLN 15 H GLN 15 -3.396 -0.522 -1.742 96 HA GLN 15 HA GLN 15 -5.091 0.249 -3.954 97 HB2 GLN 15 HB3 GLN 15 -6.701 -0.371 -2.231 98 HB3 GLN 15 HB2 GLN 15 -5.860 0.625 -1.054 99 HG2 GLN 15 HG3 GLN 15 -6.412 2.620 -2.321 100 HG3 GLN 15 HG2 GLN 15 -7.236 1.636 -3.527 101 HE21 GLN 15 HE21 GLN 15 -9.197 0.736 -3.032 102 HE22 GLN 15 HE22 GLN 15 -10.120 1.249 -1.671 103 H CYS 16 H CYS 16 -4.009 1.493 -0.804 104 HA CYS 16 HA CYS 16 -3.121 3.508 -0.190 105 HB2 CYS 16 HB3 CYS 16 -1.173 2.351 -1.232 106 HB3 CYS 16 HB2 CYS 16 -1.584 3.088 -2.775 107 H CYS 17 H CYS 17 -2.194 5.376 -2.465 108 HA CYS 17 HA CYS 17 -4.812 6.623 -2.585 109 HB2 CYS 17 HB3 CYS 17 -2.675 7.886 -1.967 110 HB3 CYS 17 HB2 CYS 17 -2.314 7.727 -3.690 111 H LYS 18 H LYS 18 -5.920 5.824 -4.046 112 HA LYS 18 HA LYS 18 -5.102 4.856 -6.600 113 HB2 LYS 18 HB3 LYS 18 -7.806 5.872 -5.683 114 HB3 LYS 18 HB2 LYS 18 -7.521 5.014 -7.188 115 HG2 LYS 18 HG3 LYS 18 -6.961 3.008 -6.030 116 HG3 LYS 18 HG2 LYS 18 -6.925 3.845 -4.481 117 HD2 LYS 18 HD3 LYS 18 -8.987 2.537 -4.729 118 HD3 LYS 18 HD2 LYS 18 -9.331 4.259 -4.637 119 HE2 LYS 18 HE3 LYS 18 -9.584 4.333 -7.076 120 HE3 LYS 18 HE2 LYS 18 -9.221 2.613 -7.162 121 HZ1 LYS 18 HZ1 LYS 18 -11.618 3.111 -7.227 122 HZ2 LYS 18 HZ2 LYS 18 -11.524 3.762 -5.679 123 HZ3 LYS 18 HZ3 LYS 18 -11.193 2.123 -5.926 124 H SER 19 H SER 19 -6.316 7.822 -5.398 125 HA SER 19 HA SER 19 -6.711 9.280 -7.727 126 HB2 SER 19 HB3 SER 19 -5.929 10.384 -5.046 127 HB3 SER 19 HB2 SER 19 -6.986 11.110 -6.263 128 HG SER 19 HG SER 19 -8.488 9.502 -5.892 129 H SER 20 H SER 20 -3.701 8.596 -5.960 130 HA SER 20 HA SER 20 -2.359 10.560 -7.680 131 HB2 SER 20 HB3 SER 20 -1.521 9.538 -4.985 132 HB3 SER 20 HB2 SER 20 -0.637 10.715 -5.973 133 HG SER 20 HG SER 20 -2.727 11.897 -5.886 134 H LYS 21 H LYS 21 -2.999 7.447 -7.565 135 HA LYS 21 HA LYS 21 -2.184 5.612 -8.473 136 HB2 LYS 21 HB3 LYS 21 -0.154 7.443 -9.750 137 HB3 LYS 21 HB2 LYS 21 -0.600 5.833 -10.315 138 HG2 LYS 21 HG3 LYS 21 -2.467 8.157 -10.114 139 HG3 LYS 21 HG2 LYS 21 -1.635 7.690 -11.602 140 HD2 LYS 21 HD3 LYS 21 -2.763 5.546 -11.594 141 HD3 LYS 21 HD2 LYS 21 -3.498 5.898 -10.033 142 HE2 LYS 21 HE3 LYS 21 -5.038 6.232 -11.949 143 HE3 LYS 21 HE2 LYS 21 -4.798 7.668 -10.964 144 HZ1 LYS 21 HZ1 LYS 21 -3.313 8.531 -12.583 145 HZ2 LYS 21 HZ2 LYS 21 -4.754 8.134 -13.335 146 HZ3 LYS 21 HZ3 LYS 21 -3.400 7.143 -13.540 147 H LEU 22 H LEU 22 -1.289 6.046 -5.866 148 HA LEU 22 HA LEU 22 1.505 5.458 -5.838 149 HB2 LEU 22 HB3 LEU 22 -0.468 5.962 -3.640 150 HB3 LEU 22 HB2 LEU 22 1.262 5.855 -3.504 151 HG LEU 22 HG LEU 22 -0.292 8.058 -4.827 152 HD11 LEU 22 HD11 LEU 22 1.376 8.034 -2.319 153 HD12 LEU 22 HD12 LEU 22 -0.381 8.148 -2.409 154 HD13 LEU 22 HD13 LEU 22 0.621 9.459 -3.032 155 HD21 LEU 22 HD21 LEU 22 2.676 7.702 -4.541 156 HD22 LEU 22 HD22 LEU 22 1.902 9.200 -5.060 157 HD23 LEU 22 HD23 LEU 22 1.765 7.744 -6.051 158 H VAL 23 H VAL 23 2.006 3.523 -5.324 159 HA VAL 23 HA VAL 23 -0.157 1.564 -4.964 160 HB VAL 23 HB VAL 23 1.329 -0.149 -5.913 161 HG11 VAL 23 HG11 VAL 23 1.063 2.300 -7.653 162 HG12 VAL 23 HG12 VAL 23 -0.169 1.070 -7.400 163 HG13 VAL 23 HG13 VAL 23 1.331 0.657 -8.236 164 HG21 VAL 23 HG21 VAL 23 3.260 2.125 -6.383 165 HG22 VAL 23 HG22 VAL 23 3.447 0.478 -6.988 166 HG23 VAL 23 HG23 VAL 23 3.482 0.792 -5.251 167 H CYS 24 H CYS 24 0.581 -0.497 -3.754 168 HA CYS 24 HA CYS 24 1.822 0.470 -1.321 169 HB2 CYS 24 HB3 CYS 24 -0.368 -0.561 -1.105 170 HB3 CYS 24 HB2 CYS 24 0.212 -2.012 -1.917 171 H SER 25 H SER 25 3.715 -0.204 -0.685 172 HA SER 25 HA SER 25 5.224 -1.961 -2.298 173 HB2 SER 25 HB3 SER 25 6.306 -0.011 -1.322 174 HB3 SER 25 HB2 SER 25 5.829 -0.566 0.285 175 HG SER 25 HG SER 25 7.825 -1.529 -1.420 176 H ARG 26 H ARG 26 6.108 -3.944 -1.482 177 HA ARG 26 HA ARG 26 4.330 -5.216 0.458 178 HB2 ARG 26 HB3 ARG 26 4.536 -6.162 -1.841 179 HB3 ARG 26 HB2 ARG 26 6.236 -6.456 -1.486 180 HG2 ARG 26 HG3 ARG 26 5.595 -7.960 0.327 181 HG3 ARG 26 HG2 ARG 26 3.894 -7.694 -0.054 182 HD2 ARG 26 HD3 ARG 26 4.610 -9.751 -1.059 183 HD3 ARG 26 HD2 ARG 26 4.319 -8.563 -2.331 184 HE ARG 26 HE ARG 26 7.036 -8.706 -1.407 185 HH11 ARG 26 HH11 ARG 26 4.730 -10.011 -3.744 186 HH12 ARG 26 HH12 ARG 26 5.919 -10.538 -4.835 187 HH21 ARG 26 HH21 ARG 26 8.679 -9.487 -2.861 188 HH22 ARG 26 HH22 ARG 26 8.236 -10.256 -4.311 189 H LYS 27 H LYS 27 7.717 -5.263 -0.509 190 HA LYS 27 HA LYS 27 8.599 -6.565 1.861 191 HB2 LYS 27 HB3 LYS 27 9.775 -6.799 -0.271 192 HB3 LYS 27 HB2 LYS 27 10.121 -5.079 -0.281 193 HG2 LYS 27 HG3 LYS 27 11.499 -5.345 1.721 194 HG3 LYS 27 HG2 LYS 27 11.162 -7.076 1.714 195 HD2 LYS 27 HD3 LYS 27 12.213 -7.287 -0.468 196 HD3 LYS 27 HD2 LYS 27 12.502 -5.547 -0.501 197 HE2 LYS 27 HE3 LYS 27 13.953 -5.715 1.425 198 HE3 LYS 27 HE2 LYS 27 13.616 -7.436 1.564 199 HZ1 LYS 27 HZ1 LYS 27 15.729 -7.004 0.489 200 HZ2 LYS 27 HZ2 LYS 27 14.967 -6.129 -0.734 201 HZ3 LYS 27 HZ3 LYS 27 14.676 -7.783 -0.564 202 H THR 28 H THR 28 8.338 -3.280 0.789 203 HA THR 28 HA THR 28 9.733 -2.389 3.202 204 HB THR 28 HB THR 28 8.734 -0.700 0.938 205 HG1 THR 28 HG1 THR 28 11.026 -2.271 1.321 206 HG21 THR 28 HG21 THR 28 10.431 0.907 1.745 207 HG22 THR 28 HG22 THR 28 10.866 -0.213 3.037 208 HG23 THR 28 HG23 THR 28 9.265 0.526 3.013 209 H ARG 29 H ARG 29 6.684 -2.564 1.716 210 HA ARG 29 HA ARG 29 4.622 -2.021 2.212 211 HB2 ARG 29 HB3 ARG 29 5.056 -3.807 3.792 212 HB3 ARG 29 HB2 ARG 29 5.569 -2.643 4.997 213 HG2 ARG 29 HG3 ARG 29 3.346 -1.737 5.129 214 HG3 ARG 29 HG2 ARG 29 2.810 -2.786 3.813 215 HD2 ARG 29 HD3 ARG 29 2.152 -3.728 5.941 216 HD3 ARG 29 HD2 ARG 29 3.373 -4.727 5.139 217 HE ARG 29 HE ARG 29 4.360 -2.809 7.062 218 HH11 ARG 29 HH11 ARG 29 3.394 -6.174 6.498 219 HH12 ARG 29 HH12 ARG 29 4.276 -6.815 7.786 220 HH21 ARG 29 HH21 ARG 29 5.521 -3.642 8.860 221 HH22 ARG 29 HH22 ARG 29 5.530 -5.320 9.202 222 H TRP 30 H TRP 30 4.747 0.043 1.514 223 HA TRP 30 HA TRP 30 3.697 2.012 3.206 224 HB2 TRP 30 HB3 TRP 30 5.358 3.710 2.995 225 HB3 TRP 30 HB2 TRP 30 6.171 2.372 3.743 226 HD1 TRP 30 HD1 TRP 30 6.942 0.858 0.920 227 HE1 TRP 30 HE1 TRP 30 8.765 1.884 -0.575 228 HE3 TRP 30 HE3 TRP 30 6.892 5.624 2.714 229 HZ2 TRP 30 HZ2 TRP 30 10.029 4.359 -0.936 230 HZ3 TRP 30 HZ3 TRP 30 8.451 7.260 1.748 231 HH2 TRP 30 HH2 TRP 30 9.985 6.636 -0.041 232 H CYS 31 H CYS 31 3.823 3.999 1.751 233 HA CYS 31 HA CYS 31 2.639 2.932 -0.609 234 HB2 CYS 31 HB3 CYS 31 2.311 5.311 1.020 235 HB3 CYS 31 HB2 CYS 31 1.998 5.530 -0.712 236 H LYS 32 H LYS 32 3.488 3.226 -2.544 237 HA LYS 32 HA LYS 32 6.123 4.330 -2.573 238 HB2 LYS 32 HB3 LYS 32 4.567 2.867 -4.687 239 HB3 LYS 32 HB2 LYS 32 6.207 3.472 -4.909 240 HG2 LYS 32 HG3 LYS 32 6.896 2.156 -2.970 241 HG3 LYS 32 HG2 LYS 32 5.290 1.447 -2.904 242 HD2 LYS 32 HD3 LYS 32 6.893 -0.034 -4.066 243 HD3 LYS 32 HD2 LYS 32 5.594 0.489 -5.134 244 HE2 LYS 32 HE3 LYS 32 7.843 0.527 -6.185 245 HE3 LYS 32 HE2 LYS 32 7.039 2.088 -6.210 246 HZ1 LYS 32 HZ1 LYS 32 9.140 1.265 -4.262 247 HZ2 LYS 32 HZ2 LYS 32 8.435 2.808 -4.384 248 HZ3 LYS 32 HZ3 LYS 32 9.380 2.208 -5.629 249 H TRP 33 H TRP 33 6.611 6.185 -3.303 250 HA TRP 33 HA TRP 33 4.522 7.964 -4.143 251 HB2 TRP 33 HB3 TRP 33 6.352 8.574 -2.502 252 HB3 TRP 33 HB2 TRP 33 7.449 8.623 -3.880 253 HD1 TRP 33 HD1 TRP 33 7.610 10.851 -5.113 254 HE1 TRP 33 HE1 TRP 33 6.204 13.039 -5.175 255 HE3 TRP 33 HE3 TRP 33 3.728 9.416 -2.140 256 HZ2 TRP 33 HZ2 TRP 33 3.799 13.993 -4.095 257 HZ3 TRP 33 HZ3 TRP 33 1.920 11.020 -1.694 258 HH2 TRP 33 HH2 TRP 33 1.962 13.261 -2.653 259 H GLN 34 H GLN 34 4.650 9.266 -6.024 260 HA GLN 34 HA GLN 34 5.076 7.712 -8.333 261 HB2 GLN 34 HB3 GLN 34 4.312 9.754 -9.539 262 HB3 GLN 34 HB2 GLN 34 3.238 9.215 -8.261 263 HG2 GLN 34 HG3 GLN 34 4.252 10.955 -6.786 264 HG3 GLN 34 HG2 GLN 34 5.134 11.545 -8.195 265 HE21 GLN 34 HE21 GLN 34 3.983 12.544 -9.865 266 HE22 GLN 34 HE22 GLN 34 2.383 13.132 -9.616 267 H ILE 35 H ILE 35 7.108 9.873 -6.684 268 HA ILE 35 HA ILE 35 9.068 9.490 -8.790 269 HB ILE 35 HB ILE 35 10.128 11.710 -8.289 270 HG12 ILE 35 HG12 ILE 35 7.541 12.282 -6.810 271 HG13 ILE 35 HG11 ILE 35 9.126 12.101 -6.067 272 HG21 ILE 35 HG21 ILE 35 7.315 11.820 -9.352 273 HG22 ILE 35 HG22 ILE 35 8.776 11.456 -10.268 274 HG23 ILE 35 HG23 ILE 35 8.540 13.067 -9.585 275 HD11 ILE 35 HD11 ILE 35 8.482 14.420 -6.236 276 HD12 ILE 35 HD12 ILE 35 8.289 14.257 -7.981 277 HD13 ILE 35 HD13 ILE 35 9.891 14.098 -7.251 278 HN1 NH2 36 HN1 NH2 36 10.576 8.274 -8.110 279 HN2 NH2 36 HN2 NH2 36 11.138 8.103 -6.491 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -10.830 6.235 -0.642 2 H2 GLY 1 H2 GLY 1 -11.742 6.010 0.756 3 H3 GLY 1 H3 GLY 1 -10.612 4.850 0.287 4 HA2 GLY 1 HA2 GLY 1 -9.997 7.598 1.153 5 HA3 GLY 1 HA3 GLY 1 -9.741 6.130 2.092 6 H CYS 2 H CYS 2 -7.589 7.614 1.756 7 HA CYS 2 HA CYS 2 -6.063 6.193 -0.300 8 HB2 CYS 2 HB3 CYS 2 -5.848 9.064 0.561 9 HB3 CYS 2 HB2 CYS 2 -4.607 8.252 -0.334 10 H LEU 3 H LEU 3 -3.575 6.656 0.326 11 HA LEU 3 HA LEU 3 -3.143 6.583 3.163 12 HB2 LEU 3 HB3 LEU 3 -2.092 4.633 1.118 13 HB3 LEU 3 HB2 LEU 3 -1.559 4.762 2.773 14 HG LEU 3 HG LEU 3 -4.335 3.947 1.909 15 HD11 LEU 3 HD11 LEU 3 -3.687 1.699 2.587 16 HD12 LEU 3 HD12 LEU 3 -2.066 2.272 2.966 17 HD13 LEU 3 HD13 LEU 3 -2.632 2.277 1.297 18 HD21 LEU 3 HD21 LEU 3 -4.268 4.991 4.117 19 HD22 LEU 3 HD22 LEU 3 -3.011 3.853 4.612 20 HD23 LEU 3 HD23 LEU 3 -4.630 3.270 4.222 21 H GLY 4 H GLY 4 -1.016 7.346 3.593 22 HA2 GLY 4 HA3 GLY 4 0.174 8.925 1.457 23 HA3 GLY 4 HA2 GLY 4 0.565 9.016 3.175 24 H ILE 5 H ILE 5 2.599 9.034 1.644 25 HA ILE 5 HA ILE 5 3.450 6.586 0.652 26 HB ILE 5 HB ILE 5 4.407 8.499 -0.365 27 HG12 ILE 5 HG13 ILE 5 6.404 7.252 1.444 28 HG13 ILE 5 HG12 ILE 5 5.871 6.622 -0.116 29 HG21 ILE 5 HG21 ILE 5 4.096 10.150 1.363 30 HG22 ILE 5 HG22 ILE 5 5.776 10.163 0.828 31 HG23 ILE 5 HG23 ILE 5 5.344 9.393 2.353 32 HD11 ILE 5 HD11 ILE 5 8.072 7.639 -0.320 33 HD12 ILE 5 HD12 ILE 5 7.465 9.146 0.366 34 HD13 ILE 5 HD13 ILE 5 6.895 8.604 -1.213 35 H TRP 6 H TRP 6 4.025 8.145 3.613 36 HA TRP 6 HA TRP 6 5.796 6.058 4.354 37 HB2 TRP 6 HB3 TRP 6 4.878 8.429 5.850 38 HB3 TRP 6 HB2 TRP 6 6.109 7.306 6.447 39 HD1 TRP 6 HD1 TRP 6 5.883 10.465 4.845 40 HE1 TRP 6 HE1 TRP 6 8.023 11.082 3.484 41 HE3 TRP 6 HE3 TRP 6 8.032 5.857 4.614 42 HZ2 TRP 6 HZ2 TRP 6 10.283 9.746 2.454 43 HZ3 TRP 6 HZ3 TRP 6 10.158 5.594 3.419 44 HH2 TRP 6 HH2 TRP 6 11.258 7.502 2.360 45 H LYS 7 H LYS 7 2.820 5.752 4.038 46 HA LYS 7 HA LYS 7 2.064 5.057 6.761 47 HB2 LYS 7 HB3 LYS 7 0.541 5.730 4.377 48 HB3 LYS 7 HB2 LYS 7 -0.087 4.321 5.214 49 HG2 LYS 7 HG3 LYS 7 -0.159 5.660 7.307 50 HG3 LYS 7 HG2 LYS 7 0.382 7.059 6.382 51 HD2 LYS 7 HD3 LYS 7 -1.634 6.991 5.032 52 HD3 LYS 7 HD2 LYS 7 -2.148 5.509 5.827 53 HE2 LYS 7 HE3 LYS 7 -1.750 8.162 7.205 54 HE3 LYS 7 HE2 LYS 7 -3.299 7.554 6.634 55 HZ1 LYS 7 HZ1 LYS 7 -3.027 7.147 8.964 56 HZ2 LYS 7 HZ2 LYS 7 -1.580 6.339 8.727 57 HZ3 LYS 7 HZ3 LYS 7 -3.027 5.663 8.160 58 H ALA 8 H ALA 8 0.965 3.004 7.124 59 HA ALA 8 HA ALA 8 2.446 0.887 5.779 60 HB1 ALA 8 HB1 ALA 8 1.703 -0.525 7.638 61 HB2 ALA 8 HB2 ALA 8 0.771 0.823 8.291 62 HB3 ALA 8 HB3 ALA 8 2.531 0.914 8.229 63 H CYS 9 H CYS 9 1.479 0.110 4.101 64 HA CYS 9 HA CYS 9 -1.421 0.189 3.973 65 HB2 CYS 9 HB3 CYS 9 -1.011 -0.541 1.625 66 HB3 CYS 9 HB2 CYS 9 -0.453 1.064 2.015 67 H ASN 10 H ASN 10 -2.071 -1.803 2.415 68 HA ASN 10 HA ASN 10 -1.269 -4.178 3.887 69 HB2 ASN 10 HB3 ASN 10 -3.837 -3.338 2.584 70 HB3 ASN 10 HB2 ASN 10 -3.491 -5.015 2.931 71 HD21 ASN 10 HD21 ASN 10 -5.150 -5.224 4.441 72 HD22 ASN 10 HD22 ASN 10 -5.138 -4.429 5.970 73 HA PRO 11 HA PRO 11 0.723 -4.915 -0.136 74 HB2 PRO 11 HB3 PRO 11 1.141 -7.510 1.267 75 HB3 PRO 11 HB2 PRO 11 2.292 -6.534 0.353 76 HG2 PRO 11 HG3 PRO 11 2.401 -6.522 2.989 77 HG3 PRO 11 HG2 PRO 11 2.554 -4.992 2.102 78 HD2 PRO 11 HD3 PRO 11 0.193 -6.099 3.571 79 HD3 PRO 11 HD2 PRO 11 0.807 -4.432 3.511 80 H SER 12 H SER 12 -1.338 -7.205 1.562 81 HA SER 12 HA SER 12 -1.878 -8.727 -0.804 82 HB2 SER 12 HB3 SER 12 -1.822 -9.644 1.567 83 HB3 SER 12 HB2 SER 12 -3.378 -8.857 1.808 84 HG SER 12 HG SER 12 -3.078 -11.211 0.971 85 H ASN 13 H ASN 13 -3.197 -5.851 0.547 86 HA ASN 13 HA ASN 13 -5.433 -6.037 -1.291 87 HB2 ASN 13 HB3 ASN 13 -6.322 -6.457 1.025 88 HB3 ASN 13 HB2 ASN 13 -5.646 -4.912 1.529 89 HD21 ASN 13 HD21 ASN 13 -6.639 -3.015 0.835 90 HD22 ASN 13 HD22 ASN 13 -8.229 -3.008 0.153 91 H ASP 14 H ASP 14 -3.969 -4.974 -2.536 92 HA ASP 14 HA ASP 14 -2.723 -2.635 -1.578 93 HB2 ASP 14 HB3 ASP 14 -1.420 -3.998 -2.997 94 HB3 ASP 14 HB2 ASP 14 -2.698 -4.056 -4.202 95 H GLN 15 H GLN 15 -3.597 -0.738 -1.659 96 HA GLN 15 HA GLN 15 -5.358 0.020 -3.841 97 HB2 GLN 15 HB3 GLN 15 -6.896 -0.668 -2.092 98 HB3 GLN 15 HB2 GLN 15 -6.054 0.330 -0.920 99 HG2 GLN 15 HG3 GLN 15 -6.704 2.335 -2.196 100 HG3 GLN 15 HG2 GLN 15 -7.607 1.307 -3.307 101 HE21 GLN 15 HE21 GLN 15 -8.421 3.456 -1.426 102 HE22 GLN 15 HE22 GLN 15 -9.650 2.735 -0.461 103 H CYS 16 H CYS 16 -4.399 1.455 -0.731 104 HA CYS 16 HA CYS 16 -3.513 3.494 -0.196 105 HB2 CYS 16 HB3 CYS 16 -1.580 2.254 -1.288 106 HB3 CYS 16 HB2 CYS 16 -1.935 3.150 -2.763 107 H CYS 17 H CYS 17 -2.591 5.471 -2.126 108 HA CYS 17 HA CYS 17 -5.268 6.383 -2.824 109 HB2 CYS 17 HB3 CYS 17 -3.365 7.844 -1.654 110 HB3 CYS 17 HB2 CYS 17 -2.893 7.993 -3.336 111 H LYS 18 H LYS 18 -5.834 5.617 -4.649 112 HA LYS 18 HA LYS 18 -4.008 5.138 -6.838 113 HB2 LYS 18 HB3 LYS 18 -5.917 4.344 -8.117 114 HB3 LYS 18 HB2 LYS 18 -6.014 3.680 -6.498 115 HG2 LYS 18 HG3 LYS 18 -7.730 5.257 -5.899 116 HG3 LYS 18 HG2 LYS 18 -7.566 6.084 -7.448 117 HD2 LYS 18 HD3 LYS 18 -8.264 3.989 -8.577 118 HD3 LYS 18 HD2 LYS 18 -8.513 3.256 -6.992 119 HE2 LYS 18 HE3 LYS 18 -9.929 5.720 -8.009 120 HE3 LYS 18 HE2 LYS 18 -10.608 4.098 -8.011 121 HZ1 LYS 18 HZ1 LYS 18 -10.467 4.090 -5.585 122 HZ2 LYS 18 HZ2 LYS 18 -11.378 5.385 -6.138 123 HZ3 LYS 18 HZ3 LYS 18 -9.818 5.653 -5.594 124 H SER 19 H SER 19 -6.005 7.631 -5.736 125 HA SER 19 HA SER 19 -6.260 9.113 -8.130 126 HB2 SER 19 HB3 SER 19 -7.768 9.421 -6.215 127 HB3 SER 19 HB2 SER 19 -6.423 9.997 -5.237 128 HG SER 19 HG SER 19 -7.470 11.213 -7.575 129 H SER 20 H SER 20 -3.799 8.942 -5.602 130 HA SER 20 HA SER 20 -2.378 11.215 -6.768 131 HB2 SER 20 HB3 SER 20 -1.724 9.591 -4.327 132 HB3 SER 20 HB2 SER 20 -0.985 11.122 -4.810 133 HG SER 20 HG SER 20 -3.463 11.704 -4.745 134 H LYS 21 H LYS 21 -2.659 7.999 -7.107 135 HA LYS 21 HA LYS 21 -1.708 6.508 -8.299 136 HB2 LYS 21 HB3 LYS 21 0.343 8.570 -9.016 137 HB3 LYS 21 HB2 LYS 21 0.101 7.040 -9.853 138 HG2 LYS 21 HG3 LYS 21 -1.928 9.251 -9.631 139 HG3 LYS 21 HG2 LYS 21 -0.913 8.986 -11.048 140 HD2 LYS 21 HD3 LYS 21 -2.937 7.012 -9.942 141 HD3 LYS 21 HD2 LYS 21 -3.219 8.081 -11.308 142 HE2 LYS 21 HE3 LYS 21 -1.108 5.922 -11.172 143 HE3 LYS 21 HE2 LYS 21 -2.643 5.806 -12.019 144 HZ1 LYS 21 HZ1 LYS 21 -1.958 7.661 -13.420 145 HZ2 LYS 21 HZ2 LYS 21 -0.877 6.367 -13.537 146 HZ3 LYS 21 HZ3 LYS 21 -0.457 7.721 -12.644 147 H LEU 22 H LEU 22 -1.157 6.198 -5.633 148 HA LEU 22 HA LEU 22 1.570 5.351 -5.608 149 HB2 LEU 22 HB3 LEU 22 -0.254 6.305 -3.448 150 HB3 LEU 22 HB2 LEU 22 1.118 5.304 -3.129 151 HG LEU 22 HG LEU 22 2.481 7.144 -4.310 152 HD11 LEU 22 HD11 LEU 22 1.614 9.401 -4.128 153 HD12 LEU 22 HD12 LEU 22 0.062 8.750 -3.607 154 HD13 LEU 22 HD13 LEU 22 0.661 8.407 -5.232 155 HD21 LEU 22 HD21 LEU 22 1.294 7.622 -1.586 156 HD22 LEU 22 HD22 LEU 22 2.715 8.445 -2.228 157 HD23 LEU 22 HD23 LEU 22 2.753 6.703 -1.970 158 H VAL 23 H VAL 23 1.836 3.423 -4.974 159 HA VAL 23 HA VAL 23 -0.493 1.663 -4.601 160 HB VAL 23 HB VAL 23 0.766 -0.126 -5.752 161 HG11 VAL 23 HG11 VAL 23 -0.825 1.180 -7.045 162 HG12 VAL 23 HG12 VAL 23 0.562 0.742 -8.040 163 HG13 VAL 23 HG13 VAL 23 0.421 2.379 -7.395 164 HG21 VAL 23 HG21 VAL 23 3.030 0.624 -5.373 165 HG22 VAL 23 HG22 VAL 23 2.742 2.058 -6.353 166 HG23 VAL 23 HG23 VAL 23 2.749 0.466 -7.111 167 H CYS 24 H CYS 24 0.003 -0.313 -3.389 168 HA CYS 24 HA CYS 24 1.670 0.325 -1.144 169 HB2 CYS 24 HB3 CYS 24 -0.532 -0.713 -0.834 170 HB3 CYS 24 HB2 CYS 24 0.007 -2.125 -1.737 171 H SER 25 H SER 25 3.555 -0.591 -0.616 172 HA SER 25 HA SER 25 4.749 -2.329 -2.520 173 HB2 SER 25 HB3 SER 25 5.974 -0.298 -1.912 174 HB3 SER 25 HB2 SER 25 5.946 -0.783 -0.223 175 HG SER 25 HG SER 25 7.896 -1.274 -1.197 176 H ARG 26 H ARG 26 6.010 -4.150 -1.587 177 HA ARG 26 HA ARG 26 4.471 -5.411 0.579 178 HB2 ARG 26 HB3 ARG 26 4.580 -6.478 -1.690 179 HB3 ARG 26 HB2 ARG 26 6.321 -6.581 -1.426 180 HG2 ARG 26 HG3 ARG 26 5.998 -8.077 0.448 181 HG3 ARG 26 HG2 ARG 26 4.245 -7.966 0.258 182 HD2 ARG 26 HD3 ARG 26 6.177 -9.023 -1.795 183 HD3 ARG 26 HD2 ARG 26 5.141 -10.008 -0.764 184 HE ARG 26 HE ARG 26 3.272 -8.671 -1.899 185 HH11 ARG 26 HH11 ARG 26 6.255 -9.668 -3.522 186 HH12 ARG 26 HH12 ARG 26 5.554 -9.753 -5.066 187 HH21 ARG 26 HH21 ARG 26 2.305 -8.789 -4.055 188 HH22 ARG 26 HH22 ARG 26 3.268 -9.243 -5.366 189 H LYS 27 H LYS 27 7.704 -5.099 -0.774 190 HA LYS 27 HA LYS 27 9.079 -6.245 1.378 191 HB2 LYS 27 HB3 LYS 27 11.111 -5.346 0.340 192 HB3 LYS 27 HB2 LYS 27 10.070 -6.088 -0.861 193 HG2 LYS 27 HG3 LYS 27 9.261 -3.738 -1.419 194 HG3 LYS 27 HG2 LYS 27 10.547 -3.161 -0.375 195 HD2 LYS 27 HD3 LYS 27 10.978 -4.919 -2.791 196 HD3 LYS 27 HD2 LYS 27 11.170 -3.171 -2.774 197 HE2 LYS 27 HE3 LYS 27 12.756 -5.119 -1.088 198 HE3 LYS 27 HE2 LYS 27 13.303 -4.371 -2.584 199 HZ1 LYS 27 HZ1 LYS 27 14.188 -3.211 -0.730 200 HZ2 LYS 27 HZ2 LYS 27 12.690 -2.968 -0.034 201 HZ3 LYS 27 HZ3 LYS 27 13.091 -2.189 -1.487 202 H THR 28 H THR 28 8.004 -3.007 0.757 203 HA THR 28 HA THR 28 9.330 -2.238 3.265 204 HB THR 28 HB THR 28 9.008 0.157 2.490 205 HG1 THR 28 HG1 THR 28 8.307 0.531 0.562 206 HG21 THR 28 HG21 THR 28 11.177 -0.952 2.389 207 HG22 THR 28 HG22 THR 28 10.946 0.088 0.987 208 HG23 THR 28 HG23 THR 28 10.763 -1.657 0.829 209 H ARG 29 H ARG 29 6.292 -2.839 1.954 210 HA ARG 29 HA ARG 29 4.205 -2.577 2.521 211 HB2 ARG 29 HB3 ARG 29 5.230 -3.831 4.427 212 HB3 ARG 29 HB2 ARG 29 5.321 -2.315 5.303 213 HG2 ARG 29 HG3 ARG 29 2.917 -2.129 5.289 214 HG3 ARG 29 HG2 ARG 29 2.794 -3.598 4.314 215 HD2 ARG 29 HD3 ARG 29 4.173 -3.450 6.904 216 HD3 ARG 29 HD2 ARG 29 2.446 -3.892 6.811 217 HE ARG 29 HE ARG 29 4.809 -5.429 5.983 218 HH11 ARG 29 HH11 ARG 29 1.257 -5.338 6.277 219 HH12 ARG 29 HH12 ARG 29 1.067 -7.011 6.067 220 HH21 ARG 29 HH21 ARG 29 4.495 -7.774 5.757 221 HH22 ARG 29 HH22 ARG 29 2.932 -8.416 5.791 222 H TRP 30 H TRP 30 5.609 -0.090 1.849 223 HA TRP 30 HA TRP 30 3.653 1.813 3.019 224 HB2 TRP 30 HB3 TRP 30 5.208 3.624 2.677 225 HB3 TRP 30 HB2 TRP 30 5.854 2.500 3.832 226 HD1 TRP 30 HD1 TRP 30 6.262 2.769 -0.067 227 HE1 TRP 30 HE1 TRP 30 8.793 2.820 -0.594 228 HE3 TRP 30 HE3 TRP 30 8.072 2.542 4.701 229 HZ2 TRP 30 HZ2 TRP 30 11.224 2.784 0.847 230 HZ3 TRP 30 HZ3 TRP 30 10.508 2.568 5.044 231 HH2 TRP 30 HH2 TRP 30 12.043 2.682 3.161 232 H CYS 31 H CYS 31 3.657 3.774 1.550 233 HA CYS 31 HA CYS 31 2.594 2.630 -0.827 234 HB2 CYS 31 HB3 CYS 31 2.107 5.055 0.766 235 HB3 CYS 31 HB2 CYS 31 1.736 5.111 -0.951 236 H LYS 32 H LYS 32 3.750 2.798 -2.579 237 HA LYS 32 HA LYS 32 5.874 4.802 -2.577 238 HB2 LYS 32 HB3 LYS 32 7.078 3.349 -4.134 239 HB3 LYS 32 HB2 LYS 32 6.762 2.572 -2.589 240 HG2 LYS 32 HG3 LYS 32 4.925 1.437 -3.497 241 HG3 LYS 32 HG2 LYS 32 5.152 2.169 -5.086 242 HD2 LYS 32 HD3 LYS 32 7.521 1.175 -5.032 243 HD3 LYS 32 HD2 LYS 32 6.976 0.218 -3.661 244 HE2 LYS 32 HE3 LYS 32 6.766 -1.114 -5.641 245 HE3 LYS 32 HE2 LYS 32 5.148 -0.680 -5.081 246 HZ1 LYS 32 HZ1 LYS 32 5.291 -0.412 -7.471 247 HZ2 LYS 32 HZ2 LYS 32 6.662 0.517 -7.319 248 HZ3 LYS 32 HZ3 LYS 32 5.201 1.142 -6.805 249 H TRP 33 H TRP 33 5.922 6.271 -4.048 250 HA TRP 33 HA TRP 33 4.187 6.089 -6.357 251 HB2 TRP 33 HB3 TRP 33 4.580 8.480 -6.551 252 HB3 TRP 33 HB2 TRP 33 3.989 8.125 -4.939 253 HD1 TRP 33 HD1 TRP 33 6.276 7.884 -3.098 254 HE1 TRP 33 HE1 TRP 33 8.186 9.613 -2.906 255 HE3 TRP 33 HE3 TRP 33 5.769 10.197 -7.630 256 HZ2 TRP 33 HZ2 TRP 33 9.304 11.677 -4.446 257 HZ3 TRP 33 HZ3 TRP 33 7.285 12.045 -8.181 258 HH2 TRP 33 HH2 TRP 33 9.020 12.766 -6.619 259 H GLN 34 H GLN 34 7.292 5.591 -5.301 260 HA GLN 34 HA GLN 34 8.376 4.855 -7.733 261 HB2 GLN 34 HB3 GLN 34 10.060 6.537 -8.181 262 HB3 GLN 34 HB2 GLN 34 8.471 7.288 -8.195 263 HG2 GLN 34 HG3 GLN 34 8.877 8.205 -6.001 264 HG3 GLN 34 HG2 GLN 34 10.455 7.419 -5.948 265 HE21 GLN 34 HE21 GLN 34 11.608 9.261 -5.839 266 HE22 GLN 34 HE22 GLN 34 11.735 10.399 -7.129 267 H ILE 35 H ILE 35 8.834 5.789 -4.402 268 HA ILE 35 HA ILE 35 11.399 4.537 -4.161 269 HB ILE 35 HB ILE 35 9.467 5.372 -1.954 270 HG12 ILE 35 HG12 ILE 35 11.785 6.872 -3.191 271 HG13 ILE 35 HG11 ILE 35 10.084 7.260 -3.413 272 HG21 ILE 35 HG21 ILE 35 11.189 3.790 -1.188 273 HG22 ILE 35 HG22 ILE 35 11.446 5.393 -0.502 274 HG23 ILE 35 HG23 ILE 35 12.447 4.841 -1.842 275 HD11 ILE 35 HD11 ILE 35 9.911 7.797 -1.026 276 HD12 ILE 35 HD12 ILE 35 11.143 8.771 -1.822 277 HD13 ILE 35 HD13 ILE 35 11.614 7.400 -0.821 278 HN1 NH2 36 HN1 NH2 36 10.927 2.494 -5.035 279 HN2 NH2 36 HN2 NH2 36 10.122 1.256 -4.148 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -10.216 10.321 -0.067 2 H2 GLY 1 H2 GLY 1 -8.826 11.278 -0.129 3 H3 GLY 1 H3 GLY 1 -10.135 11.741 0.845 4 HA2 GLY 1 HA2 GLY 1 -8.351 10.755 2.167 5 HA3 GLY 1 HA3 GLY 1 -9.832 9.806 2.212 6 H CYS 2 H CYS 2 -6.697 9.368 2.196 7 HA CYS 2 HA CYS 2 -6.824 6.759 1.165 8 HB2 CYS 2 HB3 CYS 2 -5.032 7.121 -0.553 9 HB3 CYS 2 HB2 CYS 2 -6.653 7.612 -1.008 10 H LEU 3 H LEU 3 -4.219 6.160 0.734 11 HA LEU 3 HA LEU 3 -3.060 6.703 3.327 12 HB2 LEU 3 HB3 LEU 3 -2.319 4.629 1.264 13 HB3 LEU 3 HB2 LEU 3 -1.669 4.768 2.878 14 HG LEU 3 HG LEU 3 -4.470 3.952 2.125 15 HD11 LEU 3 HD11 LEU 3 -2.822 2.217 1.778 16 HD12 LEU 3 HD12 LEU 3 -3.867 1.828 3.143 17 HD13 LEU 3 HD13 LEU 3 -2.235 2.429 3.426 18 HD21 LEU 3 HD21 LEU 3 -4.536 5.288 4.175 19 HD22 LEU 3 HD22 LEU 3 -3.263 4.293 4.878 20 HD23 LEU 3 HD23 LEU 3 -4.842 3.588 4.532 21 H GLY 4 H GLY 4 -1.222 7.639 3.460 22 HA2 GLY 4 HA3 GLY 4 -0.091 9.039 1.168 23 HA3 GLY 4 HA2 GLY 4 0.409 9.239 2.843 24 H ILE 5 H ILE 5 2.462 9.260 1.598 25 HA ILE 5 HA ILE 5 3.283 6.898 0.357 26 HB ILE 5 HB ILE 5 4.111 9.028 -0.425 27 HG12 ILE 5 HG13 ILE 5 6.257 7.395 0.829 28 HG13 ILE 5 HG12 ILE 5 5.460 7.079 -0.718 29 HG21 ILE 5 HG21 ILE 5 5.450 9.316 2.256 30 HG22 ILE 5 HG22 ILE 5 4.103 10.276 1.653 31 HG23 ILE 5 HG23 ILE 5 5.682 10.388 0.875 32 HD11 ILE 5 HD11 ILE 5 7.214 9.467 -0.082 33 HD12 ILE 5 HD12 ILE 5 6.408 9.173 -1.621 34 HD13 ILE 5 HD13 ILE 5 7.688 8.088 -1.074 35 H TRP 6 H TRP 6 3.838 8.069 3.501 36 HA TRP 6 HA TRP 6 5.602 5.858 3.983 37 HB2 TRP 6 HB3 TRP 6 4.862 8.236 5.589 38 HB3 TRP 6 HB2 TRP 6 5.867 6.941 6.255 39 HD1 TRP 6 HD1 TRP 6 6.173 10.128 4.392 40 HE1 TRP 6 HE1 TRP 6 8.528 10.361 3.365 41 HE3 TRP 6 HE3 TRP 6 7.807 5.359 5.062 42 HZ2 TRP 6 HZ2 TRP 6 10.783 8.717 2.902 43 HZ3 TRP 6 HZ3 TRP 6 10.039 4.752 4.315 44 HH2 TRP 6 HH2 TRP 6 11.517 6.398 3.253 45 H LYS 7 H LYS 7 2.531 5.883 3.714 46 HA LYS 7 HA LYS 7 1.825 5.064 6.369 47 HB2 LYS 7 HB3 LYS 7 0.231 5.694 3.938 48 HB3 LYS 7 HB2 LYS 7 -0.472 4.898 5.333 49 HG2 LYS 7 HG3 LYS 7 0.825 7.627 5.256 50 HG3 LYS 7 HG2 LYS 7 -0.896 7.289 5.464 51 HD2 LYS 7 HD3 LYS 7 -0.363 6.102 7.577 52 HD3 LYS 7 HD2 LYS 7 1.324 6.555 7.382 53 HE2 LYS 7 HE3 LYS 7 0.681 8.923 7.458 54 HE3 LYS 7 HE2 LYS 7 -0.989 8.433 7.741 55 HZ1 LYS 7 HZ1 LYS 7 -0.291 7.314 9.759 56 HZ2 LYS 7 HZ2 LYS 7 0.153 8.935 9.818 57 HZ3 LYS 7 HZ3 LYS 7 1.310 7.759 9.492 58 H ALA 8 H ALA 8 0.779 3.207 6.880 59 HA ALA 8 HA ALA 8 2.038 0.987 5.583 60 HB1 ALA 8 HB1 ALA 8 1.208 -0.323 7.450 61 HB2 ALA 8 HB2 ALA 8 0.237 1.037 8.003 62 HB3 ALA 8 HB3 ALA 8 1.997 1.141 8.037 63 H CYS 9 H CYS 9 1.170 0.258 3.886 64 HA CYS 9 HA CYS 9 -1.716 0.191 3.562 65 HB2 CYS 9 HB3 CYS 9 -1.107 -0.609 1.294 66 HB3 CYS 9 HB2 CYS 9 -0.613 1.024 1.638 67 H ASN 10 H ASN 10 -2.094 -1.941 2.031 68 HA ASN 10 HA ASN 10 -1.458 -4.119 3.843 69 HB2 ASN 10 HB3 ASN 10 -3.634 -3.710 1.810 70 HB3 ASN 10 HB2 ASN 10 -3.315 -5.237 2.595 71 HD21 ASN 10 HD21 ASN 10 -5.325 -5.336 3.582 72 HD22 ASN 10 HD22 ASN 10 -5.807 -4.264 4.847 73 HA PRO 11 HA PRO 11 1.512 -5.194 0.508 74 HB2 PRO 11 HB3 PRO 11 1.487 -7.525 2.368 75 HB3 PRO 11 HB2 PRO 11 2.859 -6.778 1.551 76 HG2 PRO 11 HG3 PRO 11 2.467 -6.212 4.075 77 HG3 PRO 11 HG2 PRO 11 2.783 -4.873 2.953 78 HD2 PRO 11 HD3 PRO 11 0.201 -5.774 4.145 79 HD3 PRO 11 HD2 PRO 11 0.796 -4.125 3.871 80 H SER 12 H SER 12 -1.011 -7.222 1.832 81 HA SER 12 HA SER 12 -1.070 -8.883 -0.568 82 HB2 SER 12 HB3 SER 12 -1.255 -9.886 1.735 83 HB3 SER 12 HB2 SER 12 -2.816 -9.083 1.890 84 HG SER 12 HG SER 12 -3.671 -10.397 0.393 85 H ASN 13 H ASN 13 -2.349 -5.870 0.030 86 HA ASN 13 HA ASN 13 -4.527 -6.293 -1.754 87 HB2 ASN 13 HB3 ASN 13 -5.692 -6.822 0.318 88 HB3 ASN 13 HB2 ASN 13 -5.051 -5.383 1.095 89 HD21 ASN 13 HD21 ASN 13 -7.355 -6.617 -1.215 90 HD22 ASN 13 HD22 ASN 13 -8.301 -5.197 -1.331 91 H ASP 14 H ASP 14 -3.521 -4.959 -3.069 92 HA ASP 14 HA ASP 14 -2.445 -2.586 -2.052 93 HB2 ASP 14 HB3 ASP 14 -1.199 -3.502 -3.833 94 HB3 ASP 14 HB2 ASP 14 -2.619 -3.651 -4.863 95 H GLN 15 H GLN 15 -3.219 -0.611 -2.190 96 HA GLN 15 HA GLN 15 -5.431 0.164 -3.807 97 HB2 GLN 15 HB3 GLN 15 -6.637 -0.863 -1.916 98 HB3 GLN 15 HB2 GLN 15 -5.710 0.111 -0.790 99 HG2 GLN 15 HG3 GLN 15 -6.707 2.133 -1.737 100 HG3 GLN 15 HG2 GLN 15 -7.683 1.137 -2.817 101 HE21 GLN 15 HE21 GLN 15 -9.593 1.883 -1.934 102 HE22 GLN 15 HE22 GLN 15 -10.156 1.393 -0.385 103 H CYS 16 H CYS 16 -4.196 1.232 -0.678 104 HA CYS 16 HA CYS 16 -3.350 3.221 0.020 105 HB2 CYS 16 HB3 CYS 16 -1.417 2.107 -1.023 106 HB3 CYS 16 HB2 CYS 16 -1.770 2.924 -2.551 107 H CYS 17 H CYS 17 -2.320 5.287 -1.998 108 HA CYS 17 HA CYS 17 -4.940 6.487 -2.404 109 HB2 CYS 17 HB3 CYS 17 -2.909 7.725 -1.352 110 HB3 CYS 17 HB2 CYS 17 -2.402 7.825 -3.044 111 H LYS 18 H LYS 18 -5.768 5.810 -4.082 112 HA LYS 18 HA LYS 18 -4.366 5.221 -6.535 113 HB2 LYS 18 HB3 LYS 18 -7.338 5.521 -6.072 114 HB3 LYS 18 HB2 LYS 18 -6.598 4.836 -7.503 115 HG2 LYS 18 HG3 LYS 18 -6.412 3.672 -4.722 116 HG3 LYS 18 HG2 LYS 18 -7.497 3.111 -5.991 117 HD2 LYS 18 HD3 LYS 18 -4.485 3.149 -6.211 118 HD3 LYS 18 HD2 LYS 18 -5.429 1.747 -5.730 119 HE2 LYS 18 HE3 LYS 18 -6.534 1.697 -7.870 120 HE3 LYS 18 HE2 LYS 18 -5.748 3.196 -8.356 121 HZ1 LYS 18 HZ1 LYS 18 -4.308 0.693 -7.704 122 HZ2 LYS 18 HZ2 LYS 18 -3.637 2.107 -8.299 123 HZ3 LYS 18 HZ3 LYS 18 -4.682 1.194 -9.262 124 H SER 19 H SER 19 -5.947 7.866 -5.115 125 HA SER 19 HA SER 19 -6.278 9.440 -7.451 126 HB2 SER 19 HB3 SER 19 -7.574 9.821 -5.354 127 HB3 SER 19 HB2 SER 19 -6.094 10.332 -4.551 128 HG SER 19 HG SER 19 -7.212 11.583 -6.847 129 H SER 20 H SER 20 -3.532 8.739 -5.369 130 HA SER 20 HA SER 20 -2.066 10.830 -6.791 131 HB2 SER 20 HB3 SER 20 -1.427 9.523 -4.152 132 HB3 SER 20 HB2 SER 20 -0.453 10.761 -4.964 133 HG SER 20 HG SER 20 -2.894 11.691 -4.881 134 H LYS 21 H LYS 21 -2.819 7.854 -7.167 135 HA LYS 21 HA LYS 21 -2.099 6.144 -8.327 136 HB2 LYS 21 HB3 LYS 21 0.148 7.975 -9.160 137 HB3 LYS 21 HB2 LYS 21 -0.366 6.522 -10.015 138 HG2 LYS 21 HG3 LYS 21 -2.029 8.968 -9.545 139 HG3 LYS 21 HG2 LYS 21 -1.204 8.603 -11.063 140 HD2 LYS 21 HD3 LYS 21 -2.537 6.517 -11.224 141 HD3 LYS 21 HD2 LYS 21 -3.384 6.975 -9.748 142 HE2 LYS 21 HE3 LYS 21 -4.200 9.002 -10.844 143 HE3 LYS 21 HE2 LYS 21 -3.367 8.531 -12.327 144 HZ1 LYS 21 HZ1 LYS 21 -4.735 6.565 -12.440 145 HZ2 LYS 21 HZ2 LYS 21 -5.730 7.930 -12.346 146 HZ3 LYS 21 HZ3 LYS 21 -5.484 6.960 -10.991 147 H LEU 22 H LEU 22 -1.353 6.030 -5.638 148 HA LEU 22 HA LEU 22 1.399 5.312 -5.552 149 HB2 LEU 22 HB3 LEU 22 -0.657 5.607 -3.414 150 HB3 LEU 22 HB2 LEU 22 1.054 5.370 -3.209 151 HG LEU 22 HG LEU 22 -0.270 7.845 -4.310 152 HD11 LEU 22 HD11 LEU 22 0.658 8.936 -2.341 153 HD12 LEU 22 HD12 LEU 22 1.300 7.396 -1.783 154 HD13 LEU 22 HD13 LEU 22 -0.448 7.636 -1.881 155 HD21 LEU 22 HD21 LEU 22 1.967 8.810 -4.373 156 HD22 LEU 22 HD22 LEU 22 1.840 7.411 -5.446 157 HD23 LEU 22 HD23 LEU 22 2.623 7.257 -3.863 158 H VAL 23 H VAL 23 1.871 3.434 -5.413 159 HA VAL 23 HA VAL 23 -0.117 1.294 -5.050 160 HB VAL 23 HB VAL 23 0.928 1.140 -7.163 161 HG11 VAL 23 HG11 VAL 23 3.582 0.911 -5.729 162 HG12 VAL 23 HG12 VAL 23 3.063 2.251 -6.751 163 HG13 VAL 23 HG13 VAL 23 3.365 0.664 -7.461 164 HG21 VAL 23 HG21 VAL 23 0.352 -0.983 -6.205 165 HG22 VAL 23 HG22 VAL 23 1.904 -1.078 -5.374 166 HG23 VAL 23 HG23 VAL 23 1.840 -1.177 -7.134 167 H CYS 24 H CYS 24 0.238 -0.261 -3.733 168 HA CYS 24 HA CYS 24 1.740 0.409 -1.369 169 HB2 CYS 24 HB3 CYS 24 -0.428 -0.554 -1.098 170 HB3 CYS 24 HB2 CYS 24 0.043 -1.978 -2.030 171 H SER 25 H SER 25 3.656 -0.292 -0.784 172 HA SER 25 HA SER 25 4.970 -2.164 -2.430 173 HB2 SER 25 HB3 SER 25 6.194 -0.176 -1.715 174 HB3 SER 25 HB2 SER 25 5.952 -0.625 -0.027 175 HG SER 25 HG SER 25 7.839 -1.410 -0.363 176 H ARG 26 H ARG 26 5.556 -4.089 -1.752 177 HA ARG 26 HA ARG 26 3.847 -5.258 0.304 178 HB2 ARG 26 HB3 ARG 26 3.951 -5.920 -2.151 179 HB3 ARG 26 HB2 ARG 26 5.534 -6.573 -1.739 180 HG2 ARG 26 HG3 ARG 26 4.556 -8.201 -0.266 181 HG3 ARG 26 HG2 ARG 26 2.961 -7.459 -0.440 182 HD2 ARG 26 HD3 ARG 26 3.071 -7.954 -2.881 183 HD3 ARG 26 HD2 ARG 26 4.551 -8.862 -2.580 184 HE ARG 26 HE ARG 26 2.773 -9.952 -0.869 185 HH11 ARG 26 HH11 ARG 26 2.679 -9.362 -4.349 186 HH12 ARG 26 HH12 ARG 26 1.679 -10.685 -4.708 187 HH21 ARG 26 HH21 ARG 26 1.414 -11.807 -1.370 188 HH22 ARG 26 HH22 ARG 26 0.959 -12.111 -2.987 189 H LYS 27 H LYS 27 7.127 -4.786 -0.736 190 HA LYS 27 HA LYS 27 8.129 -6.494 1.375 191 HB2 LYS 27 HB3 LYS 27 10.286 -6.254 0.392 192 HB3 LYS 27 HB2 LYS 27 9.135 -6.645 -0.874 193 HG2 LYS 27 HG3 LYS 27 9.119 -4.184 -1.439 194 HG3 LYS 27 HG2 LYS 27 10.437 -4.007 -0.297 195 HD2 LYS 27 HD3 LYS 27 10.521 -5.835 -2.706 196 HD3 LYS 27 HD2 LYS 27 11.179 -4.209 -2.678 197 HE2 LYS 27 HE3 LYS 27 13.023 -5.662 -2.353 198 HE3 LYS 27 HE2 LYS 27 12.669 -4.991 -0.774 199 HZ1 LYS 27 HZ1 LYS 27 13.173 -7.353 -0.740 200 HZ2 LYS 27 HZ2 LYS 27 11.819 -7.705 -1.673 201 HZ3 LYS 27 HZ3 LYS 27 11.645 -7.080 -0.123 202 H THR 28 H THR 28 7.242 -3.345 1.053 203 HA THR 28 HA THR 28 8.836 -2.802 3.484 204 HB THR 28 HB THR 28 9.013 -0.334 2.895 205 HG1 THR 28 HG1 THR 28 8.626 0.327 0.924 206 HG21 THR 28 HG21 THR 28 10.947 -1.820 2.798 207 HG22 THR 28 HG22 THR 28 10.997 -0.638 1.492 208 HG23 THR 28 HG23 THR 28 10.506 -2.299 1.158 209 H ARG 29 H ARG 29 5.727 -2.834 2.280 210 HA ARG 29 HA ARG 29 3.754 -2.326 3.034 211 HB2 ARG 29 HB3 ARG 29 4.671 -3.491 5.042 212 HB3 ARG 29 HB2 ARG 29 5.081 -1.927 5.723 213 HG2 ARG 29 HG3 ARG 29 2.763 -1.314 5.859 214 HG3 ARG 29 HG2 ARG 29 2.284 -2.778 4.999 215 HD2 ARG 29 HD3 ARG 29 1.904 -3.096 7.343 216 HD3 ARG 29 HD2 ARG 29 3.246 -4.092 6.761 217 HE ARG 29 HE ARG 29 4.483 -1.885 7.693 218 HH11 ARG 29 HH11 ARG 29 2.236 -4.183 9.173 219 HH12 ARG 29 HH12 ARG 29 2.824 -3.989 10.750 220 HH21 ARG 29 HH21 ARG 29 5.320 -1.619 9.826 221 HH22 ARG 29 HH22 ARG 29 4.664 -2.480 11.144 222 H TRP 30 H TRP 30 5.645 -0.036 2.256 223 HA TRP 30 HA TRP 30 3.715 2.024 3.098 224 HB2 TRP 30 HB3 TRP 30 5.373 3.762 2.656 225 HB3 TRP 30 HB2 TRP 30 5.864 2.754 3.983 226 HD1 TRP 30 HD1 TRP 30 6.583 2.890 0.145 227 HE1 TRP 30 HE1 TRP 30 9.143 2.589 -0.193 228 HE3 TRP 30 HE3 TRP 30 8.012 2.278 5.004 229 HZ2 TRP 30 HZ2 TRP 30 11.411 2.184 1.371 230 HZ3 TRP 30 HZ3 TRP 30 10.406 1.950 5.487 231 HH2 TRP 30 HH2 TRP 30 12.055 1.905 3.702 232 H CYS 31 H CYS 31 3.833 3.854 1.452 233 HA CYS 31 HA CYS 31 2.933 2.468 -0.858 234 HB2 CYS 31 HB3 CYS 31 2.411 5.094 0.384 235 HB3 CYS 31 HB2 CYS 31 1.964 4.803 -1.296 236 H LYS 32 H LYS 32 3.707 2.866 -2.862 237 HA LYS 32 HA LYS 32 6.233 4.299 -3.018 238 HB2 LYS 32 HB3 LYS 32 4.919 2.480 -5.024 239 HB3 LYS 32 HB2 LYS 32 6.526 3.175 -5.164 240 HG2 LYS 32 HG3 LYS 32 5.595 1.219 -3.086 241 HG3 LYS 32 HG2 LYS 32 6.649 0.894 -4.481 242 HD2 LYS 32 HD3 LYS 32 7.331 2.779 -2.211 243 HD3 LYS 32 HD2 LYS 32 7.872 1.113 -2.310 244 HE2 LYS 32 HE3 LYS 32 8.461 3.216 -4.385 245 HE3 LYS 32 HE2 LYS 32 9.565 2.771 -3.095 246 HZ1 LYS 32 HZ1 LYS 32 9.460 0.452 -4.004 247 HZ2 LYS 32 HZ2 LYS 32 10.204 1.583 -4.972 248 HZ3 LYS 32 HZ3 LYS 32 8.649 1.076 -5.358 249 H TRP 33 H TRP 33 6.571 5.874 -4.370 250 HA TRP 33 HA TRP 33 4.182 7.424 -4.964 251 HB2 TRP 33 HB3 TRP 33 6.214 8.268 -3.644 252 HB3 TRP 33 HB2 TRP 33 7.028 8.339 -5.201 253 HD1 TRP 33 HD1 TRP 33 6.466 10.375 -6.758 254 HE1 TRP 33 HE1 TRP 33 5.058 12.501 -6.454 255 HE3 TRP 33 HE3 TRP 33 4.007 9.097 -2.489 256 HZ2 TRP 33 HZ2 TRP 33 3.181 13.490 -4.662 257 HZ3 TRP 33 HZ3 TRP 33 2.391 10.699 -1.527 258 HH2 TRP 33 HH2 TRP 33 1.983 12.852 -2.592 259 H GLN 34 H GLN 34 3.804 8.385 -6.943 260 HA GLN 34 HA GLN 34 4.506 6.839 -9.224 261 HB2 GLN 34 HB3 GLN 34 3.084 8.454 -10.458 262 HB3 GLN 34 HB2 GLN 34 2.290 7.816 -9.028 263 HG2 GLN 34 HG3 GLN 34 2.659 9.859 -7.838 264 HG3 GLN 34 HG2 GLN 34 3.660 10.487 -9.143 265 HE21 GLN 34 HE21 GLN 34 1.290 11.588 -7.976 266 HE22 GLN 34 HE22 GLN 34 0.141 11.797 -9.239 267 H ILE 35 H ILE 35 4.694 8.967 -11.173 268 HA ILE 35 HA ILE 35 6.137 10.253 -12.277 269 HB ILE 35 HB ILE 35 7.607 10.755 -9.646 270 HG12 ILE 35 HG12 ILE 35 5.453 12.449 -10.989 271 HG13 ILE 35 HG11 ILE 35 5.261 11.522 -9.507 272 HG21 ILE 35 HG21 ILE 35 7.681 12.262 -12.263 273 HG22 ILE 35 HG22 ILE 35 8.966 11.245 -11.611 274 HG23 ILE 35 HG23 ILE 35 8.518 12.739 -10.785 275 HD11 ILE 35 HD11 ILE 35 6.863 12.942 -8.379 276 HD12 ILE 35 HD12 ILE 35 5.546 13.894 -9.064 277 HD13 ILE 35 HD13 ILE 35 7.116 13.858 -9.864 278 HN1 NH2 36 HN1 NH2 36 6.895 8.674 -13.514 279 HN2 NH2 36 HN2 NH2 36 8.336 7.783 -13.195 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -9.679 5.263 1.814 2 H2 GLY 1 H2 GLY 1 -10.229 4.948 0.265 3 H3 GLY 1 H3 GLY 1 -11.282 5.647 1.392 4 HA2 GLY 1 HA2 GLY 1 -10.487 7.283 -0.189 5 HA3 GLY 1 HA3 GLY 1 -9.860 7.617 1.418 6 H CYS 2 H CYS 2 -7.700 7.534 1.763 7 HA CYS 2 HA CYS 2 -5.958 6.312 -0.191 8 HB2 CYS 2 HB3 CYS 2 -5.745 9.233 0.566 9 HB3 CYS 2 HB2 CYS 2 -4.509 8.321 -0.221 10 H LEU 3 H LEU 3 -3.622 6.676 0.657 11 HA LEU 3 HA LEU 3 -3.498 6.799 3.538 12 HB2 LEU 3 HB3 LEU 3 -2.098 4.893 1.666 13 HB3 LEU 3 HB2 LEU 3 -1.692 5.120 3.346 14 HG LEU 3 HG LEU 3 -4.251 3.951 2.261 15 HD11 LEU 3 HD11 LEU 3 -2.340 2.465 2.045 16 HD12 LEU 3 HD12 LEU 3 -3.424 1.884 3.312 17 HD13 LEU 3 HD13 LEU 3 -1.933 2.717 3.740 18 HD21 LEU 3 HD21 LEU 3 -4.765 3.435 4.614 19 HD22 LEU 3 HD22 LEU 3 -4.693 5.167 4.308 20 HD23 LEU 3 HD23 LEU 3 -3.347 4.360 5.110 21 H GLY 4 H GLY 4 -1.386 7.505 4.153 22 HA2 GLY 4 HA3 GLY 4 -0.166 9.414 2.378 23 HA3 GLY 4 HA2 GLY 4 0.427 8.964 3.980 24 H ILE 5 H ILE 5 2.209 9.393 2.108 25 HA ILE 5 HA ILE 5 2.688 7.174 0.494 26 HB ILE 5 HB ILE 5 3.445 9.243 -0.347 27 HG12 ILE 5 HG13 ILE 5 5.751 7.676 0.681 28 HG13 ILE 5 HG12 ILE 5 4.881 7.400 -0.830 29 HG21 ILE 5 HG21 ILE 5 3.566 10.533 1.686 30 HG22 ILE 5 HG22 ILE 5 5.082 10.690 0.798 31 HG23 ILE 5 HG23 ILE 5 4.992 9.634 2.205 32 HD11 ILE 5 HD11 ILE 5 6.633 9.776 -0.162 33 HD12 ILE 5 HD12 ILE 5 5.722 9.590 -1.657 34 HD13 ILE 5 HD13 ILE 5 7.039 8.475 -1.281 35 H TRP 6 H TRP 6 3.879 8.087 3.534 36 HA TRP 6 HA TRP 6 5.673 5.877 3.419 37 HB2 TRP 6 HB3 TRP 6 5.355 8.023 5.424 38 HB3 TRP 6 HB2 TRP 6 6.588 6.757 5.540 39 HD1 TRP 6 HD1 TRP 6 6.218 10.148 4.353 40 HE1 TRP 6 HE1 TRP 6 8.020 10.792 2.585 41 HE3 TRP 6 HE3 TRP 6 7.961 5.492 3.256 42 HZ2 TRP 6 HZ2 TRP 6 9.905 9.463 0.961 43 HZ3 TRP 6 HZ3 TRP 6 9.743 5.251 1.585 44 HH2 TRP 6 HH2 TRP 6 10.694 7.200 0.463 45 H LYS 7 H LYS 7 2.694 5.811 3.799 46 HA LYS 7 HA LYS 7 2.395 4.867 6.509 47 HB2 LYS 7 HB3 LYS 7 0.507 5.454 4.285 48 HB3 LYS 7 HB2 LYS 7 -0.001 4.577 5.711 49 HG2 LYS 7 HG3 LYS 7 1.223 7.337 5.724 50 HG3 LYS 7 HG2 LYS 7 -0.508 7.006 5.805 51 HD2 LYS 7 HD3 LYS 7 -0.169 5.764 7.890 52 HD3 LYS 7 HD2 LYS 7 1.560 6.106 7.818 53 HE2 LYS 7 HE3 LYS 7 0.455 7.613 9.352 54 HE3 LYS 7 HE2 LYS 7 1.079 8.493 7.960 55 HZ1 LYS 7 HZ1 LYS 7 -1.141 8.535 7.028 56 HZ2 LYS 7 HZ2 LYS 7 -1.125 9.230 8.542 57 HZ3 LYS 7 HZ3 LYS 7 -1.764 7.690 8.352 58 H ALA 8 H ALA 8 1.532 2.872 7.029 59 HA ALA 8 HA ALA 8 2.596 0.755 5.447 60 HB1 ALA 8 HB1 ALA 8 0.916 0.666 7.958 61 HB2 ALA 8 HB2 ALA 8 2.679 0.661 7.896 62 HB3 ALA 8 HB3 ALA 8 1.769 -0.699 7.239 63 H CYS 9 H CYS 9 1.599 0.141 3.736 64 HA CYS 9 HA CYS 9 -1.281 0.335 3.498 65 HB2 CYS 9 HB3 CYS 9 -0.717 -0.375 1.153 66 HB3 CYS 9 HB2 CYS 9 -0.176 1.218 1.626 67 H ASN 10 H ASN 10 -1.887 -1.616 1.807 68 HA ASN 10 HA ASN 10 -1.349 -4.022 3.352 69 HB2 ASN 10 HB3 ASN 10 -3.760 -3.024 1.887 70 HB3 ASN 10 HB2 ASN 10 -3.549 -4.708 2.296 71 HD21 ASN 10 HD21 ASN 10 -5.338 -4.730 3.631 72 HD22 ASN 10 HD22 ASN 10 -5.400 -3.910 5.157 73 HA PRO 11 HA PRO 11 0.709 -5.052 -0.667 74 HB2 PRO 11 HB3 PRO 11 1.073 -7.464 1.055 75 HB3 PRO 11 HB2 PRO 11 2.217 -6.689 -0.043 76 HG2 PRO 11 HG3 PRO 11 2.491 -6.266 2.530 77 HG3 PRO 11 HG2 PRO 11 2.564 -4.875 1.432 78 HD2 PRO 11 HD3 PRO 11 0.299 -5.789 3.160 79 HD3 PRO 11 HD2 PRO 11 0.897 -4.141 2.876 80 H SER 12 H SER 12 -1.455 -6.943 1.280 81 HA SER 12 HA SER 12 -2.205 -8.663 -0.926 82 HB2 SER 12 HB3 SER 12 -1.980 -9.622 1.327 83 HB3 SER 12 HB2 SER 12 -3.274 -8.580 1.908 84 HG SER 12 HG SER 12 -4.228 -9.813 -0.179 85 H ASN 13 H ASN 13 -3.088 -5.570 -0.140 86 HA ASN 13 HA ASN 13 -5.463 -5.757 -1.727 87 HB2 ASN 13 HB3 ASN 13 -6.334 -6.130 0.618 88 HB3 ASN 13 HB2 ASN 13 -5.662 -4.569 1.070 89 HD21 ASN 13 HD21 ASN 13 -8.197 -6.225 -0.612 90 HD22 ASN 13 HD22 ASN 13 -9.187 -4.847 -0.890 91 H ASP 14 H ASP 14 -3.854 -4.746 -2.937 92 HA ASP 14 HA ASP 14 -2.551 -2.385 -2.191 93 HB2 ASP 14 HB3 ASP 14 -1.718 -3.859 -3.931 94 HB3 ASP 14 HB2 ASP 14 -3.114 -3.471 -4.941 95 H GLN 15 H GLN 15 -3.503 -0.589 -1.851 96 HA GLN 15 HA GLN 15 -5.377 0.466 -3.801 97 HB2 GLN 15 HB3 GLN 15 -6.822 -0.498 -2.098 98 HB3 GLN 15 HB2 GLN 15 -5.975 0.379 -0.838 99 HG2 GLN 15 HG3 GLN 15 -6.721 2.505 -1.902 100 HG3 GLN 15 HG2 GLN 15 -7.680 1.549 -3.029 101 HE21 GLN 15 HE21 GLN 15 -8.352 -0.414 -0.975 102 HE22 GLN 15 HE22 GLN 15 -9.531 0.339 0.036 103 H CYS 16 H CYS 16 -4.350 1.534 -0.552 104 HA CYS 16 HA CYS 16 -3.512 3.536 0.158 105 HB2 CYS 16 HB3 CYS 16 -1.519 2.398 -0.865 106 HB3 CYS 16 HB2 CYS 16 -1.847 3.251 -2.367 107 H CYS 17 H CYS 17 -2.474 5.536 -1.920 108 HA CYS 17 HA CYS 17 -5.132 6.619 -2.407 109 HB2 CYS 17 HB3 CYS 17 -3.082 7.991 -1.481 110 HB3 CYS 17 HB2 CYS 17 -2.673 7.971 -3.194 111 H LYS 18 H LYS 18 -5.906 5.759 -4.147 112 HA LYS 18 HA LYS 18 -4.261 5.400 -6.496 113 HB2 LYS 18 HB3 LYS 18 -7.227 4.925 -6.118 114 HB3 LYS 18 HB2 LYS 18 -6.390 4.674 -7.643 115 HG2 LYS 18 HG3 LYS 18 -5.848 3.223 -5.055 116 HG3 LYS 18 HG2 LYS 18 -6.658 2.567 -6.474 117 HD2 LYS 18 HD3 LYS 18 -4.601 2.906 -7.800 118 HD3 LYS 18 HD2 LYS 18 -3.793 3.544 -6.372 119 HE2 LYS 18 HE3 LYS 18 -4.245 1.366 -5.253 120 HE3 LYS 18 HE2 LYS 18 -4.783 0.746 -6.817 121 HZ1 LYS 18 HZ1 LYS 18 -2.468 0.241 -6.348 122 HZ2 LYS 18 HZ2 LYS 18 -2.133 1.910 -6.245 123 HZ3 LYS 18 HZ3 LYS 18 -2.623 1.242 -7.716 124 H SER 19 H SER 19 -6.185 7.830 -5.186 125 HA SER 19 HA SER 19 -6.587 9.354 -7.502 126 HB2 SER 19 HB3 SER 19 -6.179 10.290 -4.652 127 HB3 SER 19 HB2 SER 19 -6.997 11.177 -5.942 128 HG SER 19 HG SER 19 -8.639 9.764 -5.911 129 H SER 20 H SER 20 -3.749 8.688 -5.538 130 HA SER 20 HA SER 20 -2.262 10.765 -6.971 131 HB2 SER 20 HB3 SER 20 -1.542 9.288 -4.468 132 HB3 SER 20 HB2 SER 20 -0.642 10.624 -5.208 133 HG SER 20 HG SER 20 -2.368 11.964 -4.769 134 H LYS 21 H LYS 21 -3.063 7.701 -7.286 135 HA LYS 21 HA LYS 21 -2.324 5.918 -8.340 136 HB2 LYS 21 HB3 LYS 21 -0.111 7.715 -9.322 137 HB3 LYS 21 HB2 LYS 21 -0.600 6.186 -10.046 138 HG2 LYS 21 HG3 LYS 21 -2.284 8.633 -9.787 139 HG3 LYS 21 HG2 LYS 21 -1.449 8.146 -11.271 140 HD2 LYS 21 HD3 LYS 21 -2.762 6.003 -11.178 141 HD3 LYS 21 HD2 LYS 21 -3.675 6.687 -9.835 142 HE2 LYS 21 HE3 LYS 21 -4.922 6.988 -11.879 143 HE3 LYS 21 HE2 LYS 21 -4.366 8.547 -11.283 144 HZ1 LYS 21 HZ1 LYS 21 -2.634 8.569 -12.906 145 HZ2 LYS 21 HZ2 LYS 21 -4.097 8.238 -13.690 146 HZ3 LYS 21 HZ3 LYS 21 -3.007 6.999 -13.414 147 H LEU 22 H LEU 22 -1.523 5.906 -5.644 148 HA LEU 22 HA LEU 22 1.225 5.221 -5.649 149 HB2 LEU 22 HB3 LEU 22 -0.756 5.569 -3.421 150 HB3 LEU 22 HB2 LEU 22 0.963 5.311 -3.274 151 HG LEU 22 HG LEU 22 -0.459 7.759 -4.260 152 HD11 LEU 22 HD11 LEU 22 1.442 7.331 -1.979 153 HD12 LEU 22 HD12 LEU 22 -0.296 7.653 -1.855 154 HD13 LEU 22 HD13 LEU 22 0.808 8.885 -2.491 155 HD21 LEU 22 HD21 LEU 22 1.821 8.753 -4.568 156 HD22 LEU 22 HD22 LEU 22 1.360 7.512 -5.733 157 HD23 LEU 22 HD23 LEU 22 2.442 7.100 -4.402 158 H VAL 23 H VAL 23 1.767 3.325 -5.247 159 HA VAL 23 HA VAL 23 -0.237 1.198 -4.876 160 HB VAL 23 HB VAL 23 1.327 -0.379 -5.967 161 HG11 VAL 23 HG11 VAL 23 1.054 0.438 -8.259 162 HG12 VAL 23 HG12 VAL 23 0.683 2.045 -7.631 163 HG13 VAL 23 HG13 VAL 23 -0.405 0.697 -7.300 164 HG21 VAL 23 HG21 VAL 23 3.264 0.445 -7.205 165 HG22 VAL 23 HG22 VAL 23 3.412 0.783 -5.474 166 HG23 VAL 23 HG23 VAL 23 2.962 2.072 -6.591 167 H CYS 24 H CYS 24 0.738 -0.799 -3.798 168 HA CYS 24 HA CYS 24 2.078 0.194 -1.401 169 HB2 CYS 24 HB3 CYS 24 -0.090 -0.922 -1.162 170 HB3 CYS 24 HB2 CYS 24 0.593 -2.381 -1.880 171 H SER 25 H SER 25 4.035 -0.561 -0.676 172 HA SER 25 HA SER 25 5.574 -2.253 -2.309 173 HB2 SER 25 HB3 SER 25 6.135 -0.971 0.359 174 HB3 SER 25 HB2 SER 25 7.301 -1.630 -0.777 175 HG SER 25 HG SER 25 5.669 0.654 -1.081 176 H ARG 26 H ARG 26 6.604 -4.248 -1.196 177 HA ARG 26 HA ARG 26 4.511 -5.459 0.439 178 HB2 ARG 26 HB3 ARG 26 5.203 -6.545 -1.720 179 HB3 ARG 26 HB2 ARG 26 6.750 -6.898 -0.966 180 HG2 ARG 26 HG3 ARG 26 5.625 -8.268 0.721 181 HG3 ARG 26 HG2 ARG 26 4.065 -7.907 -0.020 182 HD2 ARG 26 HD3 ARG 26 4.994 -8.872 -2.152 183 HD3 ARG 26 HD2 ARG 26 6.365 -9.440 -1.205 184 HE ARG 26 HE ARG 26 3.950 -10.286 -0.018 185 HH11 ARG 26 HH11 ARG 26 6.153 -11.063 -2.648 186 HH12 ARG 26 HH12 ARG 26 5.500 -12.599 -2.967 187 HH21 ARG 26 HH21 ARG 26 3.030 -12.400 -0.436 188 HH22 ARG 26 HH22 ARG 26 3.680 -13.385 -1.664 189 H LYS 27 H LYS 27 8.049 -5.634 0.338 190 HA LYS 27 HA LYS 27 8.023 -6.598 3.054 191 HB2 LYS 27 HB3 LYS 27 10.372 -5.961 1.265 192 HB3 LYS 27 HB2 LYS 27 10.464 -6.800 2.806 193 HG2 LYS 27 HG3 LYS 27 8.958 -8.547 1.812 194 HG3 LYS 27 HG2 LYS 27 9.184 -7.754 0.263 195 HD2 LYS 27 HD3 LYS 27 11.405 -8.920 1.961 196 HD3 LYS 27 HD2 LYS 27 10.656 -9.732 0.599 197 HE2 LYS 27 HE3 LYS 27 12.674 -8.860 -0.236 198 HE3 LYS 27 HE2 LYS 27 11.437 -7.751 -0.805 199 HZ1 LYS 27 HZ1 LYS 27 13.160 -7.269 1.572 200 HZ2 LYS 27 HZ2 LYS 27 12.102 -6.155 0.875 201 HZ3 LYS 27 HZ3 LYS 27 13.457 -6.666 0.041 202 H THR 28 H THR 28 8.488 -3.621 1.386 203 HA THR 28 HA THR 28 9.581 -2.374 3.769 204 HB THR 28 HB THR 28 9.357 -0.283 2.187 205 HG1 THR 28 HG1 THR 28 9.424 -0.909 0.003 206 HG21 THR 28 HG21 THR 28 11.534 -0.870 1.165 207 HG22 THR 28 HG22 THR 28 11.303 -2.539 1.714 208 HG23 THR 28 HG23 THR 28 11.473 -1.241 2.889 209 H ARG 29 H ARG 29 6.696 -2.744 2.072 210 HA ARG 29 HA ARG 29 4.604 -2.069 2.276 211 HB2 ARG 29 HB3 ARG 29 4.804 -3.762 3.966 212 HB3 ARG 29 HB2 ARG 29 5.277 -2.570 5.158 213 HG2 ARG 29 HG3 ARG 29 3.066 -1.558 5.042 214 HG3 ARG 29 HG2 ARG 29 2.592 -2.716 3.797 215 HD2 ARG 29 HD3 ARG 29 2.827 -4.540 5.307 216 HD3 ARG 29 HD2 ARG 29 3.538 -3.504 6.539 217 HE ARG 29 HE ARG 29 0.832 -3.005 5.589 218 HH11 ARG 29 HH11 ARG 29 3.018 -3.957 8.236 219 HH12 ARG 29 HH12 ARG 29 1.829 -3.889 9.442 220 HH21 ARG 29 HH21 ARG 29 -0.813 -2.914 7.280 221 HH22 ARG 29 HH22 ARG 29 -0.397 -3.281 8.883 222 H TRP 30 H TRP 30 5.295 0.013 1.521 223 HA TRP 30 HA TRP 30 3.719 1.963 2.882 224 HB2 TRP 30 HB3 TRP 30 5.306 3.789 2.569 225 HB3 TRP 30 HB2 TRP 30 5.896 2.678 3.766 226 HD1 TRP 30 HD1 TRP 30 6.444 3.472 0.000 227 HE1 TRP 30 HE1 TRP 30 8.941 3.220 -0.536 228 HE3 TRP 30 HE3 TRP 30 8.082 1.838 4.537 229 HZ2 TRP 30 HZ2 TRP 30 11.299 2.442 0.784 230 HZ3 TRP 30 HZ3 TRP 30 10.504 1.373 4.819 231 HH2 TRP 30 HH2 TRP 30 12.056 1.672 2.976 232 H CYS 31 H CYS 31 3.731 3.896 1.376 233 HA CYS 31 HA CYS 31 2.739 2.672 -0.984 234 HB2 CYS 31 HB3 CYS 31 2.426 5.258 0.404 235 HB3 CYS 31 HB2 CYS 31 1.826 5.065 -1.249 236 H LYS 32 H LYS 32 3.580 2.972 -2.950 237 HA LYS 32 HA LYS 32 6.155 4.304 -3.147 238 HB2 LYS 32 HB3 LYS 32 4.641 2.818 -5.292 239 HB3 LYS 32 HB2 LYS 32 6.335 3.295 -5.327 240 HG2 LYS 32 HG3 LYS 32 6.768 1.829 -3.425 241 HG3 LYS 32 HG2 LYS 32 5.075 1.367 -3.441 242 HD2 LYS 32 HD3 LYS 32 6.338 -0.366 -4.561 243 HD3 LYS 32 HD2 LYS 32 5.418 0.506 -5.781 244 HE2 LYS 32 HE3 LYS 32 7.662 0.104 -6.579 245 HE3 LYS 32 HE2 LYS 32 7.429 1.830 -6.323 246 HZ1 LYS 32 HZ1 LYS 32 8.814 -0.039 -4.483 247 HZ2 LYS 32 HZ2 LYS 32 8.643 1.622 -4.207 248 HZ3 LYS 32 HZ3 LYS 32 9.554 1.062 -5.497 249 H TRP 33 H TRP 33 6.444 6.135 -4.070 250 HA TRP 33 HA TRP 33 4.162 7.789 -4.509 251 HB2 TRP 33 HB3 TRP 33 6.313 8.579 -3.458 252 HB3 TRP 33 HB2 TRP 33 7.033 8.509 -5.064 253 HD1 TRP 33 HD1 TRP 33 6.894 10.643 -6.412 254 HE1 TRP 33 HE1 TRP 33 5.457 12.813 -6.333 255 HE3 TRP 33 HE3 TRP 33 3.714 9.406 -2.627 256 HZ2 TRP 33 HZ2 TRP 33 3.316 13.832 -4.872 257 HZ3 TRP 33 HZ3 TRP 33 2.000 11.032 -1.945 258 HH2 TRP 33 HH2 TRP 33 1.814 13.199 -3.048 259 H GLN 34 H GLN 34 3.659 8.967 -6.428 260 HA GLN 34 HA GLN 34 3.555 7.284 -8.671 261 HB2 GLN 34 HB3 GLN 34 2.416 9.177 -9.794 262 HB3 GLN 34 HB2 GLN 34 1.731 8.777 -8.230 263 HG2 GLN 34 HG3 GLN 34 3.011 10.689 -7.255 264 HG3 GLN 34 HG2 GLN 34 3.513 11.111 -8.887 265 HE21 GLN 34 HE21 GLN 34 0.906 10.343 -10.020 266 HE22 GLN 34 HE22 GLN 34 -0.182 11.603 -9.561 267 H ILE 35 H ILE 35 5.731 9.774 -7.785 268 HA ILE 35 HA ILE 35 7.141 9.470 -10.346 269 HB ILE 35 HB ILE 35 7.342 11.778 -8.368 270 HG12 ILE 35 HG12 ILE 35 6.096 11.712 -11.135 271 HG13 ILE 35 HG11 ILE 35 5.209 11.749 -9.618 272 HG21 ILE 35 HG21 ILE 35 8.722 12.873 -10.092 273 HG22 ILE 35 HG22 ILE 35 8.627 11.419 -11.084 274 HG23 ILE 35 HG23 ILE 35 9.455 11.370 -9.529 275 HD11 ILE 35 HD11 ILE 35 6.130 13.940 -9.123 276 HD12 ILE 35 HD12 ILE 35 5.277 13.935 -10.668 277 HD13 ILE 35 HD13 ILE 35 7.042 13.907 -10.632 278 HN1 NH2 36 HN1 NH2 36 8.477 7.812 -9.916 279 HN2 NH2 36 HN2 NH2 36 9.551 7.706 -8.569 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -9.452 6.372 2.434 2 H2 GLY 1 H2 GLY 1 -9.132 5.293 1.194 3 H3 GLY 1 H3 GLY 1 -10.713 5.848 1.444 4 HA2 GLY 1 HA2 GLY 1 -9.691 6.962 -0.446 5 HA3 GLY 1 HA3 GLY 1 -10.051 8.094 0.855 6 H CYS 2 H CYS 2 -7.551 6.091 -0.580 7 HA CYS 2 HA CYS 2 -5.419 6.271 -0.849 8 HB2 CYS 2 HB3 CYS 2 -5.617 9.099 0.160 9 HB3 CYS 2 HB2 CYS 2 -4.229 8.332 -0.575 10 H LEU 3 H LEU 3 -3.314 6.691 0.317 11 HA LEU 3 HA LEU 3 -3.523 6.320 3.159 12 HB2 LEU 3 HB3 LEU 3 -1.959 4.599 1.234 13 HB3 LEU 3 HB2 LEU 3 -1.889 4.539 2.969 14 HG LEU 3 HG LEU 3 -4.291 3.777 1.289 15 HD11 LEU 3 HD11 LEU 3 -3.791 1.491 1.968 16 HD12 LEU 3 HD12 LEU 3 -2.361 2.053 2.829 17 HD13 LEU 3 HD13 LEU 3 -2.441 2.188 1.072 18 HD21 LEU 3 HD21 LEU 3 -4.952 4.621 3.475 19 HD22 LEU 3 HD22 LEU 3 -3.810 3.523 4.251 20 HD23 LEU 3 HD23 LEU 3 -5.204 2.876 3.383 21 H GLY 4 H GLY 4 -1.800 7.299 4.074 22 HA2 GLY 4 HA3 GLY 4 -0.222 9.154 2.698 23 HA3 GLY 4 HA2 GLY 4 0.135 8.551 4.315 24 H ILE 5 H ILE 5 1.953 9.236 2.375 25 HA ILE 5 HA ILE 5 2.786 7.141 0.818 26 HB ILE 5 HB ILE 5 3.468 9.308 0.165 27 HG12 ILE 5 HG13 ILE 5 5.776 7.826 1.304 28 HG13 ILE 5 HG12 ILE 5 5.076 7.626 -0.305 29 HG21 ILE 5 HG21 ILE 5 4.866 10.794 1.525 30 HG22 ILE 5 HG22 ILE 5 4.795 9.640 2.853 31 HG23 ILE 5 HG23 ILE 5 3.326 10.447 2.309 32 HD11 ILE 5 HD11 ILE 5 7.197 8.884 -0.408 33 HD12 ILE 5 HD12 ILE 5 6.539 10.074 0.711 34 HD13 ILE 5 HD13 ILE 5 5.839 9.898 -0.898 35 H TRP 6 H TRP 6 3.662 7.897 3.995 36 HA TRP 6 HA TRP 6 5.512 5.723 3.859 37 HB2 TRP 6 HB3 TRP 6 5.144 7.839 5.875 38 HB3 TRP 6 HB2 TRP 6 6.350 6.549 6.035 39 HD1 TRP 6 HD1 TRP 6 6.075 9.965 4.834 40 HE1 TRP 6 HE1 TRP 6 7.980 10.581 3.175 41 HE3 TRP 6 HE3 TRP 6 7.839 5.285 3.859 42 HZ2 TRP 6 HZ2 TRP 6 9.953 9.234 1.676 43 HZ3 TRP 6 HZ3 TRP 6 9.722 5.024 2.304 44 HH2 TRP 6 HH2 TRP 6 10.756 6.966 1.236 45 H LYS 7 H LYS 7 2.519 5.648 4.112 46 HA LYS 7 HA LYS 7 2.205 4.606 6.782 47 HB2 LYS 7 HB3 LYS 7 0.309 5.132 4.563 48 HB3 LYS 7 HB2 LYS 7 -0.143 4.126 5.914 49 HG2 LYS 7 HG3 LYS 7 0.532 6.108 7.391 50 HG3 LYS 7 HG2 LYS 7 0.556 7.048 5.896 51 HD2 LYS 7 HD3 LYS 7 -1.788 6.390 5.472 52 HD3 LYS 7 HD2 LYS 7 -1.786 5.495 6.979 53 HE2 LYS 7 HE3 LYS 7 -1.342 7.565 8.214 54 HE3 LYS 7 HE2 LYS 7 -1.381 8.464 6.700 55 HZ1 LYS 7 HZ1 LYS 7 -3.688 7.766 6.409 56 HZ2 LYS 7 HZ2 LYS 7 -3.496 8.619 7.831 57 HZ3 LYS 7 HZ3 LYS 7 -3.655 6.937 7.868 58 H ALA 8 H ALA 8 1.524 2.590 7.271 59 HA ALA 8 HA ALA 8 2.678 0.551 5.621 60 HB1 ALA 8 HB1 ALA 8 2.943 0.456 8.053 61 HB2 ALA 8 HB2 ALA 8 2.072 -0.960 7.462 62 HB3 ALA 8 HB3 ALA 8 1.193 0.354 8.245 63 H CYS 9 H CYS 9 1.566 -0.080 3.940 64 HA CYS 9 HA CYS 9 -1.322 -0.156 4.058 65 HB2 CYS 9 HB3 CYS 9 -1.046 -0.729 1.628 66 HB3 CYS 9 HB2 CYS 9 -0.583 0.885 2.093 67 H ASN 10 H ASN 10 -1.980 -2.100 2.375 68 HA ASN 10 HA ASN 10 -1.150 -4.487 3.805 69 HB2 ASN 10 HB3 ASN 10 -3.618 -3.713 2.307 70 HB3 ASN 10 HB2 ASN 10 -3.277 -5.359 2.787 71 HD21 ASN 10 HD21 ASN 10 -5.077 -5.489 4.085 72 HD22 ASN 10 HD22 ASN 10 -5.284 -4.605 5.545 73 HA PRO 11 HA PRO 11 0.967 -5.443 -0.148 74 HB2 PRO 11 HB3 PRO 11 0.875 -8.020 1.357 75 HB3 PRO 11 HB2 PRO 11 2.187 -7.324 0.400 76 HG2 PRO 11 HG3 PRO 11 2.279 -7.171 3.044 77 HG3 PRO 11 HG2 PRO 11 2.733 -5.762 2.067 78 HD2 PRO 11 HD3 PRO 11 0.245 -6.251 3.631 79 HD3 PRO 11 HD2 PRO 11 1.110 -4.735 3.324 80 H SER 12 H SER 12 -1.519 -7.336 1.472 81 HA SER 12 HA SER 12 -2.322 -8.632 -1.006 82 HB2 SER 12 HB3 SER 12 -2.053 -9.929 1.098 83 HB3 SER 12 HB2 SER 12 -3.370 -9.000 1.806 84 HG SER 12 HG SER 12 -4.621 -9.796 -0.060 85 H ASN 13 H ASN 13 -2.959 -5.633 0.082 86 HA ASN 13 HA ASN 13 -5.494 -5.559 -1.187 87 HB2 ASN 13 HB3 ASN 13 -6.243 -6.070 1.107 88 HB3 ASN 13 HB2 ASN 13 -5.287 -4.732 1.732 89 HD21 ASN 13 HD21 ASN 13 -7.033 -3.640 2.567 90 HD22 ASN 13 HD22 ASN 13 -8.218 -2.888 1.566 91 H ASP 14 H ASP 14 -4.338 -4.416 -2.590 92 HA ASP 14 HA ASP 14 -2.812 -2.208 -1.691 93 HB2 ASP 14 HB3 ASP 14 -1.992 -3.504 -3.523 94 HB3 ASP 14 HB2 ASP 14 -3.464 -3.183 -4.450 95 H GLN 15 H GLN 15 -3.898 -0.520 -1.141 96 HA GLN 15 HA GLN 15 -6.005 0.478 -2.944 97 HB2 GLN 15 HB3 GLN 15 -6.774 0.191 -0.565 98 HB3 GLN 15 HB2 GLN 15 -5.585 1.401 -0.086 99 HG2 GLN 15 HG3 GLN 15 -6.732 2.879 -1.887 100 HG3 GLN 15 HG2 GLN 15 -8.072 1.751 -1.720 101 HE21 GLN 15 HE21 GLN 15 -7.352 1.443 1.157 102 HE22 GLN 15 HE22 GLN 15 -7.991 2.862 1.910 103 H CYS 16 H CYS 16 -3.851 1.865 -0.501 104 HA CYS 16 HA CYS 16 -2.645 3.714 -0.443 105 HB2 CYS 16 HB3 CYS 16 -1.925 2.135 -2.678 106 HB3 CYS 16 HB2 CYS 16 -1.500 3.830 -2.975 107 H CYS 17 H CYS 17 -2.001 5.581 -2.573 108 HA CYS 17 HA CYS 17 -4.669 6.723 -2.655 109 HB2 CYS 17 HB3 CYS 17 -2.608 8.068 -1.950 110 HB3 CYS 17 HB2 CYS 17 -2.252 8.056 -3.686 111 H LYS 18 H LYS 18 -5.701 5.880 -4.115 112 HA LYS 18 HA LYS 18 -4.667 5.031 -6.636 113 HB2 LYS 18 HB3 LYS 18 -7.572 5.457 -5.852 114 HB3 LYS 18 HB2 LYS 18 -6.997 4.568 -7.246 115 HG2 LYS 18 HG3 LYS 18 -5.942 2.907 -5.751 116 HG3 LYS 18 HG2 LYS 18 -6.558 3.780 -4.355 117 HD2 LYS 18 HD3 LYS 18 -8.830 3.369 -5.034 118 HD3 LYS 18 HD2 LYS 18 -8.280 2.608 -6.529 119 HE2 LYS 18 HE3 LYS 18 -7.232 0.825 -5.293 120 HE3 LYS 18 HE2 LYS 18 -7.602 1.624 -3.768 121 HZ1 LYS 18 HZ1 LYS 18 -9.927 1.262 -4.138 122 HZ2 LYS 18 HZ2 LYS 18 -9.126 -0.203 -4.294 123 HZ3 LYS 18 HZ3 LYS 18 -9.651 0.612 -5.671 124 H SER 19 H SER 19 -6.112 7.843 -5.386 125 HA SER 19 HA SER 19 -6.695 9.173 -7.805 126 HB2 SER 19 HB3 SER 19 -7.673 9.806 -5.616 127 HB3 SER 19 HB2 SER 19 -6.090 10.360 -5.086 128 HG SER 19 HG SER 19 -7.881 11.475 -6.893 129 H SER 20 H SER 20 -3.722 8.930 -5.859 130 HA SER 20 HA SER 20 -2.491 10.891 -7.654 131 HB2 SER 20 HB3 SER 20 -1.564 9.878 -4.988 132 HB3 SER 20 HB2 SER 20 -0.776 11.126 -5.972 133 HG SER 20 HG SER 20 -3.326 11.781 -5.724 134 H LYS 21 H LYS 21 -2.987 7.803 -7.524 135 HA LYS 21 HA LYS 21 -2.201 6.017 -8.472 136 HB2 LYS 21 HB3 LYS 21 -0.270 7.881 -9.840 137 HB3 LYS 21 HB2 LYS 21 -0.658 6.244 -10.363 138 HG2 LYS 21 HG3 LYS 21 -2.580 8.520 -10.147 139 HG3 LYS 21 HG2 LYS 21 -1.862 7.965 -11.667 140 HD2 LYS 21 HD3 LYS 21 -2.907 5.715 -11.224 141 HD3 LYS 21 HD2 LYS 21 -3.716 6.423 -9.831 142 HE2 LYS 21 HE3 LYS 21 -5.229 6.359 -11.712 143 HE3 LYS 21 HE2 LYS 21 -4.838 8.031 -11.315 144 HZ1 LYS 21 HZ1 LYS 21 -3.549 6.464 -13.479 145 HZ2 LYS 21 HZ2 LYS 21 -3.321 8.110 -13.177 146 HZ3 LYS 21 HZ3 LYS 21 -4.811 7.540 -13.708 147 H LEU 22 H LEU 22 -1.279 6.338 -5.940 148 HA LEU 22 HA LEU 22 1.509 5.727 -5.884 149 HB2 LEU 22 HB3 LEU 22 -0.544 6.156 -3.729 150 HB3 LEU 22 HB2 LEU 22 1.172 6.006 -3.499 151 HG LEU 22 HG LEU 22 -0.344 8.310 -4.693 152 HD11 LEU 22 HD11 LEU 22 1.387 8.089 -2.244 153 HD12 LEU 22 HD12 LEU 22 -0.372 8.188 -2.274 154 HD13 LEU 22 HD13 LEU 22 0.598 9.556 -2.819 155 HD21 LEU 22 HD21 LEU 22 1.813 9.458 -4.931 156 HD22 LEU 22 HD22 LEU 22 1.702 8.033 -5.965 157 HD23 LEU 22 HD23 LEU 22 2.640 7.967 -4.474 158 H VAL 23 H VAL 23 1.973 3.752 -5.368 159 HA VAL 23 HA VAL 23 -0.195 1.783 -5.020 160 HB VAL 23 HB VAL 23 1.294 0.095 -6.104 161 HG11 VAL 23 HG11 VAL 23 0.582 2.503 -7.789 162 HG12 VAL 23 HG12 VAL 23 -0.503 1.182 -7.363 163 HG13 VAL 23 HG13 VAL 23 0.885 0.879 -8.407 164 HG21 VAL 23 HG21 VAL 23 3.439 1.181 -5.773 165 HG22 VAL 23 HG22 VAL 23 2.948 2.516 -6.814 166 HG23 VAL 23 HG23 VAL 23 3.165 0.903 -7.494 167 H CYS 24 H CYS 24 0.263 -0.131 -3.764 168 HA CYS 24 HA CYS 24 1.792 0.577 -1.431 169 HB2 CYS 24 HB3 CYS 24 -0.396 -0.358 -1.099 170 HB3 CYS 24 HB2 CYS 24 -0.010 -1.760 -2.082 171 H SER 25 H SER 25 3.650 -0.369 -0.715 172 HA SER 25 HA SER 25 4.968 -2.123 -2.474 173 HB2 SER 25 HB3 SER 25 5.856 -0.641 -0.028 174 HB3 SER 25 HB2 SER 25 6.881 -1.455 -1.205 175 HG SER 25 HG SER 25 5.439 0.898 -1.403 176 H ARG 26 H ARG 26 6.120 -4.035 -1.358 177 HA ARG 26 HA ARG 26 4.306 -5.071 0.707 178 HB2 ARG 26 HB3 ARG 26 4.314 -6.404 -1.353 179 HB3 ARG 26 HB2 ARG 26 6.056 -6.610 -1.152 180 HG2 ARG 26 HG3 ARG 26 5.781 -7.896 0.824 181 HG3 ARG 26 HG2 ARG 26 4.056 -7.582 0.889 182 HD2 ARG 26 HD3 ARG 26 3.823 -8.812 -1.262 183 HD3 ARG 26 HD2 ARG 26 5.545 -9.196 -1.181 184 HE ARG 26 HE ARG 26 4.189 -9.937 1.194 185 HH11 ARG 26 HH11 ARG 26 4.701 -11.025 -2.148 186 HH12 ARG 26 HH12 ARG 26 4.459 -12.668 -1.792 187 HH21 ARG 26 HH21 ARG 26 3.818 -12.215 1.660 188 HH22 ARG 26 HH22 ARG 26 3.958 -13.351 0.404 189 H LYS 27 H LYS 27 7.702 -5.453 -0.225 190 HA LYS 27 HA LYS 27 8.267 -6.558 2.322 191 HB2 LYS 27 HB3 LYS 27 9.508 -7.195 0.252 192 HB3 LYS 27 HB2 LYS 27 10.247 -5.597 0.249 193 HG2 LYS 27 HG3 LYS 27 11.788 -7.168 1.213 194 HG3 LYS 27 HG2 LYS 27 11.200 -6.081 2.476 195 HD2 LYS 27 HD3 LYS 27 9.498 -7.839 3.073 196 HD3 LYS 27 HD2 LYS 27 10.317 -8.909 1.939 197 HE2 LYS 27 HE3 LYS 27 11.093 -9.383 4.149 198 HE3 LYS 27 HE2 LYS 27 12.393 -8.587 3.261 199 HZ1 LYS 27 HZ1 LYS 27 10.574 -7.304 5.218 200 HZ2 LYS 27 HZ2 LYS 27 11.758 -6.492 4.355 201 HZ3 LYS 27 HZ3 LYS 27 12.194 -7.679 5.472 202 H THR 28 H THR 28 8.423 -3.439 0.897 203 HA THR 28 HA THR 28 9.891 -2.391 3.194 204 HB THR 28 HB THR 28 9.719 -0.178 2.069 205 HG1 THR 28 HG1 THR 28 8.454 0.129 0.443 206 HG21 THR 28 HG21 THR 28 11.599 -1.584 1.466 207 HG22 THR 28 HG22 THR 28 11.034 -0.710 0.040 208 HG23 THR 28 HG23 THR 28 10.623 -2.412 0.256 209 H ARG 29 H ARG 29 6.805 -2.539 1.814 210 HA ARG 29 HA ARG 29 4.726 -2.117 2.397 211 HB2 ARG 29 HB3 ARG 29 5.301 -3.783 4.108 212 HB3 ARG 29 HB2 ARG 29 5.715 -2.481 5.212 213 HG2 ARG 29 HG3 ARG 29 3.416 -1.687 5.157 214 HG3 ARG 29 HG2 ARG 29 2.992 -2.980 4.033 215 HD2 ARG 29 HD3 ARG 29 3.617 -4.635 5.683 216 HD3 ARG 29 HD2 ARG 29 4.095 -3.353 6.795 217 HE ARG 29 HE ARG 29 1.368 -3.303 5.829 218 HH11 ARG 29 HH11 ARG 29 3.589 -4.113 8.484 219 HH12 ARG 29 HH12 ARG 29 2.355 -4.266 9.649 220 HH21 ARG 29 HH21 ARG 29 -0.312 -3.493 7.500 221 HH22 ARG 29 HH22 ARG 29 0.156 -3.933 9.085 222 H TRP 30 H TRP 30 4.920 -0.093 1.570 223 HA TRP 30 HA TRP 30 3.653 1.876 3.063 224 HB2 TRP 30 HB3 TRP 30 5.304 3.704 2.750 225 HB3 TRP 30 HB2 TRP 30 5.831 2.553 3.948 226 HD1 TRP 30 HD1 TRP 30 6.414 2.969 0.110 227 HE1 TRP 30 HE1 TRP 30 8.890 2.701 -0.367 228 HE3 TRP 30 HE3 TRP 30 8.012 2.111 4.879 229 HZ2 TRP 30 HZ2 TRP 30 11.288 2.205 1.124 230 HZ3 TRP 30 HZ3 TRP 30 10.421 1.763 5.273 231 HH2 TRP 30 HH2 TRP 30 12.014 1.811 3.432 232 H CYS 31 H CYS 31 3.828 3.909 1.560 233 HA CYS 31 HA CYS 31 2.706 2.710 -0.803 234 HB2 CYS 31 HB3 CYS 31 1.573 4.508 0.836 235 HB3 CYS 31 HB2 CYS 31 2.501 5.595 -0.180 236 H LYS 32 H LYS 32 3.523 3.318 -2.841 237 HA LYS 32 HA LYS 32 6.152 4.538 -2.797 238 HB2 LYS 32 HB3 LYS 32 4.591 3.329 -5.074 239 HB3 LYS 32 HB2 LYS 32 6.173 4.075 -5.249 240 HG2 LYS 32 HG3 LYS 32 7.049 2.456 -3.625 241 HG3 LYS 32 HG2 LYS 32 5.484 1.658 -3.630 242 HD2 LYS 32 HD3 LYS 32 5.673 1.198 -6.015 243 HD3 LYS 32 HD2 LYS 32 7.175 2.109 -6.098 244 HE2 LYS 32 HE3 LYS 32 7.640 -0.272 -6.075 245 HE3 LYS 32 HE2 LYS 32 8.234 0.479 -4.596 246 HZ1 LYS 32 HZ1 LYS 32 6.242 -0.323 -3.467 247 HZ2 LYS 32 HZ2 LYS 32 7.156 -1.576 -4.108 248 HZ3 LYS 32 HZ3 LYS 32 5.741 -1.104 -4.892 249 H TRP 33 H TRP 33 6.674 6.424 -3.503 250 HA TRP 33 HA TRP 33 4.600 8.357 -3.797 251 HB2 TRP 33 HB3 TRP 33 6.760 8.647 -2.511 252 HB3 TRP 33 HB2 TRP 33 7.580 8.731 -4.058 253 HD1 TRP 33 HD1 TRP 33 4.245 10.523 -3.275 254 HE1 TRP 33 HE1 TRP 33 4.641 13.053 -3.475 255 HE3 TRP 33 HE3 TRP 33 9.299 10.504 -4.001 256 HZ2 TRP 33 HZ2 TRP 33 6.793 14.804 -3.870 257 HZ3 TRP 33 HZ3 TRP 33 10.459 12.659 -4.266 258 HH2 TRP 33 HH2 TRP 33 9.227 14.763 -4.202 259 H GLN 34 H GLN 34 4.394 9.721 -5.573 260 HA GLN 34 HA GLN 34 4.385 8.339 -8.077 261 HB2 GLN 34 HB3 GLN 34 3.163 10.371 -8.829 262 HB3 GLN 34 HB2 GLN 34 2.471 9.582 -7.415 263 HG2 GLN 34 HG3 GLN 34 3.724 11.285 -6.013 264 HG3 GLN 34 HG2 GLN 34 4.069 12.124 -7.521 265 HE21 GLN 34 HE21 GLN 34 2.410 13.136 -8.603 266 HE22 GLN 34 HE22 GLN 34 0.901 13.466 -7.851 267 H ILE 35 H ILE 35 6.867 9.815 -6.753 268 HA ILE 35 HA ILE 35 7.911 10.741 -9.322 269 HB ILE 35 HB ILE 35 8.366 12.225 -6.691 270 HG12 ILE 35 HG12 ILE 35 6.908 13.119 -9.201 271 HG13 ILE 35 HG11 ILE 35 6.137 12.644 -7.698 272 HG21 ILE 35 HG21 ILE 35 10.367 12.238 -8.098 273 HG22 ILE 35 HG22 ILE 35 9.637 13.843 -8.046 274 HG23 ILE 35 HG23 ILE 35 9.416 12.819 -9.465 275 HD11 ILE 35 HD11 ILE 35 6.198 15.057 -7.944 276 HD12 ILE 35 HD12 ILE 35 7.953 15.008 -8.085 277 HD13 ILE 35 HD13 ILE 35 7.178 14.544 -6.569 278 HN1 NH2 36 HN1 NH2 36 9.272 10.636 -6.072 279 HN2 NH2 36 HN2 NH2 36 10.470 9.439 -6.421 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -10.567 7.342 -0.801 2 H2 GLY 1 H2 GLY 1 -9.931 8.490 0.284 3 H3 GLY 1 H3 GLY 1 -11.375 7.694 0.657 4 HA2 GLY 1 HA2 GLY 1 -9.555 6.789 1.894 5 HA3 GLY 1 HA3 GLY 1 -10.185 5.610 0.747 6 H CYS 2 H CYS 2 -7.533 7.480 1.718 7 HA CYS 2 HA CYS 2 -5.841 6.156 -0.258 8 HB2 CYS 2 HB3 CYS 2 -5.663 9.034 0.608 9 HB3 CYS 2 HB2 CYS 2 -4.444 8.201 -0.292 10 H LEU 3 H LEU 3 -3.508 6.501 0.523 11 HA LEU 3 HA LEU 3 -3.239 6.704 3.386 12 HB2 LEU 3 HB3 LEU 3 -2.113 4.613 1.532 13 HB3 LEU 3 HB2 LEU 3 -1.531 4.902 3.153 14 HG LEU 3 HG LEU 3 -4.329 4.031 2.468 15 HD11 LEU 3 HD11 LEU 3 -3.636 1.826 3.324 16 HD12 LEU 3 HD12 LEU 3 -1.987 2.426 3.504 17 HD13 LEU 3 HD13 LEU 3 -2.706 2.292 1.899 18 HD21 LEU 3 HD21 LEU 3 -4.453 3.498 4.882 19 HD22 LEU 3 HD22 LEU 3 -4.228 5.216 4.573 20 HD23 LEU 3 HD23 LEU 3 -2.865 4.229 5.102 21 H GLY 4 H GLY 4 -1.162 7.484 3.900 22 HA2 GLY 4 HA3 GLY 4 0.049 9.154 1.879 23 HA3 GLY 4 HA2 GLY 4 0.587 8.989 3.551 24 H ILE 5 H ILE 5 2.441 9.171 1.761 25 HA ILE 5 HA ILE 5 3.112 6.796 0.495 26 HB ILE 5 HB ILE 5 3.891 8.941 -0.359 27 HG12 ILE 5 HG13 ILE 5 6.110 7.233 0.636 28 HG13 ILE 5 HG12 ILE 5 5.160 6.984 -0.834 29 HG21 ILE 5 HG21 ILE 5 5.656 10.221 0.786 30 HG22 ILE 5 HG22 ILE 5 5.494 9.155 2.180 31 HG23 ILE 5 HG23 ILE 5 4.146 10.181 1.695 32 HD11 ILE 5 HD11 ILE 5 7.360 7.938 -1.396 33 HD12 ILE 5 HD12 ILE 5 7.059 9.281 -0.297 34 HD13 ILE 5 HD13 ILE 5 6.080 9.102 -1.749 35 H TRP 6 H TRP 6 3.917 7.984 3.566 36 HA TRP 6 HA TRP 6 5.662 5.747 3.879 37 HB2 TRP 6 HB3 TRP 6 5.175 8.059 5.658 38 HB3 TRP 6 HB2 TRP 6 6.327 6.766 6.022 39 HD1 TRP 6 HD1 TRP 6 6.259 10.060 4.660 40 HE1 TRP 6 HE1 TRP 6 8.308 10.583 3.167 41 HE3 TRP 6 HE3 TRP 6 7.932 5.305 3.969 42 HZ2 TRP 6 HZ2 TRP 6 10.357 9.108 1.844 43 HZ3 TRP 6 HZ3 TRP 6 9.917 4.929 2.582 44 HH2 TRP 6 HH2 TRP 6 11.105 6.796 1.539 45 H LYS 7 H LYS 7 2.633 5.797 3.914 46 HA LYS 7 HA LYS 7 2.081 4.959 6.627 47 HB2 LYS 7 HB3 LYS 7 0.398 5.506 4.248 48 HB3 LYS 7 HB2 LYS 7 -0.236 4.609 5.600 49 HG2 LYS 7 HG3 LYS 7 0.890 7.414 5.743 50 HG3 LYS 7 HG2 LYS 7 -0.823 7.004 5.686 51 HD2 LYS 7 HD3 LYS 7 -0.524 5.701 7.797 52 HD3 LYS 7 HD2 LYS 7 1.131 6.299 7.880 53 HE2 LYS 7 HE3 LYS 7 -1.332 8.035 7.839 54 HE3 LYS 7 HE2 LYS 7 -0.455 7.580 9.294 55 HZ1 LYS 7 HZ1 LYS 7 0.147 9.795 8.493 56 HZ2 LYS 7 HZ2 LYS 7 0.715 9.155 7.041 57 HZ3 LYS 7 HZ3 LYS 7 1.462 8.763 8.487 58 H ALA 8 H ALA 8 1.277 3.002 7.157 59 HA ALA 8 HA ALA 8 2.428 0.854 5.650 60 HB1 ALA 8 HB1 ALA 8 1.756 -0.548 7.534 61 HB2 ALA 8 HB2 ALA 8 0.847 0.795 8.223 62 HB3 ALA 8 HB3 ALA 8 2.605 0.891 8.097 63 H CYS 9 H CYS 9 1.385 0.155 3.985 64 HA CYS 9 HA CYS 9 -1.512 0.160 3.882 65 HB2 CYS 9 HB3 CYS 9 -0.986 -0.643 1.541 66 HB3 CYS 9 HB2 CYS 9 -0.589 1.017 1.919 67 H ASN 10 H ASN 10 -2.129 -1.882 2.328 68 HA ASN 10 HA ASN 10 -1.147 -4.223 3.710 69 HB2 ASN 10 HB3 ASN 10 -3.898 -3.395 2.869 70 HB3 ASN 10 HB2 ASN 10 -3.475 -5.062 3.207 71 HD21 ASN 10 HD21 ASN 10 -2.961 -5.615 5.412 72 HD22 ASN 10 HD22 ASN 10 -3.433 -4.582 6.709 73 HA PRO 11 HA PRO 11 0.167 -4.827 -0.579 74 HB2 PRO 11 HB3 PRO 11 0.674 -7.485 0.677 75 HB3 PRO 11 HB2 PRO 11 1.704 -6.556 -0.416 76 HG2 PRO 11 HG3 PRO 11 2.274 -6.563 2.148 77 HG3 PRO 11 HG2 PRO 11 2.286 -5.019 1.275 78 HD2 PRO 11 HD3 PRO 11 0.200 -6.128 3.113 79 HD3 PRO 11 HD2 PRO 11 0.825 -4.468 2.981 80 H SER 12 H SER 12 -1.760 -7.111 1.257 81 HA SER 12 HA SER 12 -2.785 -8.427 -1.102 82 HB2 SER 12 HB3 SER 12 -2.377 -9.680 1.009 83 HB3 SER 12 HB2 SER 12 -3.660 -8.751 1.782 84 HG SER 12 HG SER 12 -4.893 -9.635 -0.187 85 H ASN 13 H ASN 13 -3.549 -5.543 0.367 86 HA ASN 13 HA ASN 13 -6.158 -5.513 -0.932 87 HB2 ASN 13 HB3 ASN 13 -5.537 -4.294 1.790 88 HB3 ASN 13 HB2 ASN 13 -6.965 -3.902 0.852 89 HD21 ASN 13 HD21 ASN 13 -6.846 -4.934 3.460 90 HD22 ASN 13 HD22 ASN 13 -7.647 -6.464 3.475 91 H ASP 14 H ASP 14 -4.027 -4.916 -2.171 92 HA ASP 14 HA ASP 14 -2.834 -2.445 -1.745 93 HB2 ASP 14 HB3 ASP 14 -1.836 -4.190 -3.092 94 HB3 ASP 14 HB2 ASP 14 -3.087 -3.976 -4.320 95 H GLN 15 H GLN 15 -3.986 -0.778 -1.669 96 HA GLN 15 HA GLN 15 -5.578 0.066 -3.986 97 HB2 GLN 15 HB3 GLN 15 -7.137 -0.592 -2.197 98 HB3 GLN 15 HB2 GLN 15 -6.322 0.477 -1.073 99 HG2 GLN 15 HG3 GLN 15 -6.929 2.355 -2.705 100 HG3 GLN 15 HG2 GLN 15 -8.035 1.191 -3.432 101 HE21 GLN 15 HE21 GLN 15 -9.850 2.366 -2.851 102 HE22 GLN 15 HE22 GLN 15 -10.391 2.461 -1.219 103 H CYS 16 H CYS 16 -4.766 1.487 -0.829 104 HA CYS 16 HA CYS 16 -3.896 3.434 -0.209 105 HB2 CYS 16 HB3 CYS 16 -1.875 2.194 -1.020 106 HB3 CYS 16 HB2 CYS 16 -2.030 3.017 -2.568 107 H CYS 17 H CYS 17 -2.679 5.364 -2.180 108 HA CYS 17 HA CYS 17 -5.284 6.510 -2.818 109 HB2 CYS 17 HB3 CYS 17 -3.208 7.751 -1.693 110 HB3 CYS 17 HB2 CYS 17 -2.808 7.896 -3.395 111 H LYS 18 H LYS 18 -5.922 5.744 -4.685 112 HA LYS 18 HA LYS 18 -4.100 5.424 -6.909 113 HB2 LYS 18 HB3 LYS 18 -6.122 4.881 -8.284 114 HB3 LYS 18 HB2 LYS 18 -5.949 3.869 -6.861 115 HG2 LYS 18 HG3 LYS 18 -7.626 5.219 -5.714 116 HG3 LYS 18 HG2 LYS 18 -7.820 6.207 -7.168 117 HD2 LYS 18 HD3 LYS 18 -8.574 4.257 -8.399 118 HD3 LYS 18 HD2 LYS 18 -8.280 3.233 -6.992 119 HE2 LYS 18 HE3 LYS 18 -10.636 3.741 -7.159 120 HE3 LYS 18 HE2 LYS 18 -9.941 4.510 -5.733 121 HZ1 LYS 18 HZ1 LYS 18 -11.409 6.030 -6.884 122 HZ2 LYS 18 HZ2 LYS 18 -10.558 5.831 -8.309 123 HZ3 LYS 18 HZ3 LYS 18 -9.827 6.600 -7.010 124 H SER 19 H SER 19 -6.006 7.885 -5.624 125 HA SER 19 HA SER 19 -6.255 9.619 -7.783 126 HB2 SER 19 HB3 SER 19 -5.798 10.368 -4.899 127 HB3 SER 19 HB2 SER 19 -6.752 11.231 -6.112 128 HG SER 19 HG SER 19 -8.186 9.496 -6.150 129 H SER 20 H SER 20 -3.495 8.764 -5.727 130 HA SER 20 HA SER 20 -1.906 10.796 -7.126 131 HB2 SER 20 HB3 SER 20 -1.360 9.531 -4.446 132 HB3 SER 20 HB2 SER 20 -0.451 10.844 -5.216 133 HG SER 20 HG SER 20 -2.467 12.038 -5.150 134 H LYS 21 H LYS 21 -2.710 7.773 -7.391 135 HA LYS 21 HA LYS 21 -1.938 5.927 -8.349 136 HB2 LYS 21 HB3 LYS 21 0.411 7.648 -9.135 137 HB3 LYS 21 HB2 LYS 21 -0.057 6.125 -9.893 138 HG2 LYS 21 HG3 LYS 21 -1.746 8.579 -9.773 139 HG3 LYS 21 HG2 LYS 21 -0.738 8.162 -11.165 140 HD2 LYS 21 HD3 LYS 21 -2.024 6.080 -11.452 141 HD3 LYS 21 HD2 LYS 21 -3.006 6.487 -10.046 142 HE2 LYS 21 HE3 LYS 21 -2.823 8.138 -12.558 143 HE3 LYS 21 HE2 LYS 21 -4.120 7.003 -12.189 144 HZ1 LYS 21 HZ1 LYS 21 -4.664 8.316 -10.246 145 HZ2 LYS 21 HZ2 LYS 21 -4.756 9.254 -11.625 146 HZ3 LYS 21 HZ3 LYS 21 -3.435 9.423 -10.596 147 H LEU 22 H LEU 22 -1.431 6.035 -5.614 148 HA LEU 22 HA LEU 22 1.268 5.208 -5.205 149 HB2 LEU 22 HB3 LEU 22 -0.966 5.669 -3.293 150 HB3 LEU 22 HB2 LEU 22 0.722 5.456 -2.935 151 HG LEU 22 HG LEU 22 -0.514 7.821 -4.300 152 HD11 LEU 22 HD11 LEU 22 -0.890 7.796 -1.892 153 HD12 LEU 22 HD12 LEU 22 0.263 9.061 -2.333 154 HD13 LEU 22 HD13 LEU 22 0.839 7.558 -1.619 155 HD21 LEU 22 HD21 LEU 22 1.718 8.811 -4.239 156 HD22 LEU 22 HD22 LEU 22 1.643 7.368 -5.251 157 HD23 LEU 22 HD23 LEU 22 2.353 7.282 -3.631 158 H VAL 23 H VAL 23 1.614 3.306 -4.984 159 HA VAL 23 HA VAL 23 -0.491 1.253 -4.598 160 HB VAL 23 HB VAL 23 1.083 -0.372 -5.659 161 HG11 VAL 23 HG11 VAL 23 0.798 0.450 -7.966 162 HG12 VAL 23 HG12 VAL 23 0.388 2.045 -7.330 163 HG13 VAL 23 HG13 VAL 23 -0.661 0.665 -7.001 164 HG21 VAL 23 HG21 VAL 23 3.000 0.491 -6.944 165 HG22 VAL 23 HG22 VAL 23 3.186 0.756 -5.211 166 HG23 VAL 23 HG23 VAL 23 2.717 2.095 -6.263 167 H CYS 24 H CYS 24 0.603 -0.907 -3.556 168 HA CYS 24 HA CYS 24 1.909 0.131 -1.164 169 HB2 CYS 24 HB3 CYS 24 -0.237 -1.088 -0.916 170 HB3 CYS 24 HB2 CYS 24 0.525 -2.519 -1.596 171 H SER 25 H SER 25 3.858 -0.539 -0.515 172 HA SER 25 HA SER 25 5.401 -2.046 -2.343 173 HB2 SER 25 HB3 SER 25 6.326 0.023 -1.422 174 HB3 SER 25 HB2 SER 25 6.215 -0.638 0.203 175 HG SER 25 HG SER 25 8.175 -0.953 -1.627 176 H ARG 26 H ARG 26 6.762 -3.736 -1.606 177 HA ARG 26 HA ARG 26 5.661 -5.437 0.546 178 HB2 ARG 26 HB3 ARG 26 5.372 -6.155 -1.879 179 HB3 ARG 26 HB2 ARG 26 7.139 -6.234 -1.887 180 HG2 ARG 26 HG3 ARG 26 7.052 -7.925 -0.090 181 HG3 ARG 26 HG2 ARG 26 5.289 -7.915 -0.195 182 HD2 ARG 26 HD3 ARG 26 5.509 -8.534 -2.599 183 HD3 ARG 26 HD2 ARG 26 7.243 -8.688 -2.333 184 HE ARG 26 HE ARG 26 5.547 -10.261 -0.610 185 HH11 ARG 26 HH11 ARG 26 7.576 -10.187 -3.512 186 HH12 ARG 26 HH12 ARG 26 7.661 -11.878 -3.681 187 HH21 ARG 26 HH21 ARG 26 5.635 -12.582 -0.842 188 HH22 ARG 26 HH22 ARG 26 6.537 -13.292 -2.104 189 H LYS 27 H LYS 27 8.253 -3.751 -0.931 190 HA LYS 27 HA LYS 27 10.483 -5.162 0.058 191 HB2 LYS 27 HB3 LYS 27 10.134 -2.249 -0.653 192 HB3 LYS 27 HB2 LYS 27 11.679 -3.001 -0.297 193 HG2 LYS 27 HG3 LYS 27 9.860 -3.797 -2.564 194 HG3 LYS 27 HG2 LYS 27 11.228 -2.701 -2.718 195 HD2 LYS 27 HD3 LYS 27 11.532 -5.525 -1.690 196 HD3 LYS 27 HD2 LYS 27 11.572 -5.143 -3.400 197 HE2 LYS 27 HE3 LYS 27 13.835 -5.303 -2.573 198 HE3 LYS 27 HE2 LYS 27 13.496 -3.640 -3.004 199 HZ1 LYS 27 HZ1 LYS 27 13.323 -3.098 -0.636 200 HZ2 LYS 27 HZ2 LYS 27 14.762 -3.867 -0.950 201 HZ3 LYS 27 HZ3 LYS 27 13.522 -4.737 -0.235 202 H THR 28 H THR 28 8.198 -3.109 1.365 203 HA THR 28 HA THR 28 9.208 -3.684 3.980 204 HB THR 28 HB THR 28 8.726 -0.774 3.339 205 HG1 THR 28 HG1 THR 28 10.924 -2.296 2.961 206 HG21 THR 28 HG21 THR 28 9.894 -2.124 5.787 207 HG22 THR 28 HG22 THR 28 8.277 -1.434 5.671 208 HG23 THR 28 HG23 THR 28 9.692 -0.383 5.577 209 H ARG 29 H ARG 29 7.033 -1.072 3.366 210 HA ARG 29 HA ARG 29 4.630 -2.251 2.956 211 HB2 ARG 29 HB3 ARG 29 5.068 -3.388 5.149 212 HB3 ARG 29 HB2 ARG 29 5.126 -1.798 5.897 213 HG2 ARG 29 HG3 ARG 29 2.835 -1.402 5.125 214 HG3 ARG 29 HG2 ARG 29 2.783 -3.067 4.534 215 HD2 ARG 29 HD3 ARG 29 3.303 -3.854 6.786 216 HD3 ARG 29 HD2 ARG 29 3.297 -2.181 7.335 217 HE ARG 29 HE ARG 29 0.888 -2.852 6.005 218 HH11 ARG 29 HH11 ARG 29 2.503 -3.158 9.133 219 HH12 ARG 29 HH12 ARG 29 1.074 -3.274 10.033 220 HH21 ARG 29 HH21 ARG 29 -1.094 -3.020 7.244 221 HH22 ARG 29 HH22 ARG 29 -1.011 -3.224 8.927 222 H TRP 30 H TRP 30 4.752 -0.240 1.809 223 HA TRP 30 HA TRP 30 3.499 1.917 3.110 224 HB2 TRP 30 HB3 TRP 30 5.213 3.634 2.542 225 HB3 TRP 30 HB2 TRP 30 5.636 2.640 3.911 226 HD1 TRP 30 HD1 TRP 30 6.322 2.229 0.083 227 HE1 TRP 30 HE1 TRP 30 8.868 1.845 -0.229 228 HE3 TRP 30 HE3 TRP 30 7.808 2.559 4.956 229 HZ2 TRP 30 HZ2 TRP 30 11.165 1.720 1.372 230 HZ3 TRP 30 HZ3 TRP 30 10.198 2.312 5.475 231 HH2 TRP 30 HH2 TRP 30 11.834 1.902 3.717 232 H CYS 31 H CYS 31 3.432 3.771 1.576 233 HA CYS 31 HA CYS 31 2.509 2.514 -0.780 234 HB2 CYS 31 HB3 CYS 31 2.033 5.081 0.602 235 HB3 CYS 31 HB2 CYS 31 1.600 4.939 -1.101 236 H LYS 32 H LYS 32 3.341 2.818 -2.719 237 HA LYS 32 HA LYS 32 5.874 4.266 -2.920 238 HB2 LYS 32 HB3 LYS 32 4.528 2.407 -4.867 239 HB3 LYS 32 HB2 LYS 32 6.104 3.143 -5.093 240 HG2 LYS 32 HG3 LYS 32 5.362 1.212 -2.914 241 HG3 LYS 32 HG2 LYS 32 6.254 0.858 -4.402 242 HD2 LYS 32 HD3 LYS 32 7.184 2.779 -2.257 243 HD3 LYS 32 HD2 LYS 32 7.733 1.118 -2.416 244 HE2 LYS 32 HE3 LYS 32 8.106 3.334 -4.426 245 HE3 LYS 32 HE2 LYS 32 9.349 2.630 -3.402 246 HZ1 LYS 32 HZ1 LYS 32 8.981 0.493 -4.544 247 HZ2 LYS 32 HZ2 LYS 32 9.484 1.706 -5.600 248 HZ3 LYS 32 HZ3 LYS 32 7.883 1.236 -5.584 249 H TRP 33 H TRP 33 6.207 5.825 -4.375 250 HA TRP 33 HA TRP 33 3.776 7.280 -5.078 251 HB2 TRP 33 HB3 TRP 33 5.659 8.250 -3.627 252 HB3 TRP 33 HB2 TRP 33 6.617 8.302 -5.096 253 HD1 TRP 33 HD1 TRP 33 5.970 10.169 -6.896 254 HE1 TRP 33 HE1 TRP 33 4.586 12.339 -6.719 255 HE3 TRP 33 HE3 TRP 33 3.625 9.281 -2.465 256 HZ2 TRP 33 HZ2 TRP 33 2.767 13.509 -4.947 257 HZ3 TRP 33 HZ3 TRP 33 2.075 10.979 -1.591 258 HH2 TRP 33 HH2 TRP 33 1.658 13.048 -2.809 259 H GLN 34 H GLN 34 3.885 8.484 -7.153 260 HA GLN 34 HA GLN 34 4.755 6.717 -9.276 261 HB2 GLN 34 HB3 GLN 34 3.532 8.318 -10.731 262 HB3 GLN 34 HB2 GLN 34 2.554 7.559 -9.481 263 HG2 GLN 34 HG3 GLN 34 2.645 9.592 -8.153 264 HG3 GLN 34 HG2 GLN 34 3.702 10.343 -9.347 265 HE21 GLN 34 HE21 GLN 34 1.059 11.147 -8.397 266 HE22 GLN 34 HE22 GLN 34 0.071 11.239 -9.803 267 H ILE 35 H ILE 35 6.608 8.334 -7.690 268 HA ILE 35 HA ILE 35 8.163 9.397 -9.916 269 HB ILE 35 HB ILE 35 7.925 10.862 -7.241 270 HG12 ILE 35 HG12 ILE 35 7.145 11.776 -10.026 271 HG13 ILE 35 HG11 ILE 35 6.009 11.268 -8.784 272 HG21 ILE 35 HG21 ILE 35 9.448 12.520 -8.223 273 HG22 ILE 35 HG22 ILE 35 9.623 11.501 -9.651 274 HG23 ILE 35 HG23 ILE 35 10.200 10.930 -8.084 275 HD11 ILE 35 HD11 ILE 35 6.689 13.151 -7.394 276 HD12 ILE 35 HD12 ILE 35 6.139 13.699 -8.982 277 HD13 ILE 35 HD13 ILE 35 7.862 13.632 -8.616 278 HN1 NH2 36 HN1 NH2 36 8.816 9.328 -6.421 279 HN2 NH2 36 HN2 NH2 36 10.072 8.157 -6.515 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -10.563 9.579 1.239 2 H2 GLY 1 H2 GLY 1 -9.345 9.815 0.092 3 H3 GLY 1 H3 GLY 1 -8.949 9.420 1.682 4 HA2 GLY 1 HA2 GLY 1 -9.981 7.262 1.443 5 HA3 GLY 1 HA3 GLY 1 -10.451 7.696 -0.197 6 H CYS 2 H CYS 2 -7.403 8.135 1.617 7 HA CYS 2 HA CYS 2 -6.035 6.446 -0.272 8 HB2 CYS 2 HB3 CYS 2 -5.440 9.366 0.172 9 HB3 CYS 2 HB2 CYS 2 -4.346 8.243 -0.594 10 H LEU 3 H LEU 3 -3.528 6.734 0.459 11 HA LEU 3 HA LEU 3 -3.387 6.880 3.335 12 HB2 LEU 3 HB3 LEU 3 -2.082 4.928 1.448 13 HB3 LEU 3 HB2 LEU 3 -1.609 5.157 3.111 14 HG LEU 3 HG LEU 3 -4.275 4.113 2.166 15 HD11 LEU 3 HD11 LEU 3 -2.463 2.544 1.772 16 HD12 LEU 3 HD12 LEU 3 -3.488 1.999 3.103 17 HD13 LEU 3 HD13 LEU 3 -1.923 2.731 3.441 18 HD21 LEU 3 HD21 LEU 3 -4.636 3.571 4.540 19 HD22 LEU 3 HD22 LEU 3 -4.489 5.305 4.275 20 HD23 LEU 3 HD23 LEU 3 -3.133 4.398 4.948 21 H GLY 4 H GLY 4 -1.289 7.499 3.962 22 HA2 GLY 4 HA3 GLY 4 0.015 9.307 2.114 23 HA3 GLY 4 HA2 GLY 4 0.445 9.048 3.805 24 H ILE 5 H ILE 5 2.427 9.286 2.178 25 HA ILE 5 HA ILE 5 3.101 6.955 0.840 26 HB ILE 5 HB ILE 5 3.994 9.028 0.041 27 HG12 ILE 5 HG13 ILE 5 6.106 7.356 1.299 28 HG13 ILE 5 HG12 ILE 5 5.318 7.061 -0.253 29 HG21 ILE 5 HG21 ILE 5 5.579 10.396 1.308 30 HG22 ILE 5 HG22 ILE 5 5.387 9.329 2.697 31 HG23 ILE 5 HG23 ILE 5 4.023 10.290 2.137 32 HD11 ILE 5 HD11 ILE 5 7.117 9.395 0.417 33 HD12 ILE 5 HD12 ILE 5 6.311 9.137 -1.128 34 HD13 ILE 5 HD13 ILE 5 7.558 8.012 -0.585 35 H TRP 6 H TRP 6 3.753 8.070 3.974 36 HA TRP 6 HA TRP 6 5.649 5.995 4.372 37 HB2 TRP 6 HB3 TRP 6 4.628 8.074 6.234 38 HB3 TRP 6 HB2 TRP 6 5.936 6.954 6.632 39 HD1 TRP 6 HD1 TRP 6 5.418 10.301 5.369 40 HE1 TRP 6 HE1 TRP 6 7.517 11.228 4.124 41 HE3 TRP 6 HE3 TRP 6 7.978 5.949 4.820 42 HZ2 TRP 6 HZ2 TRP 6 9.924 10.188 3.078 43 HZ3 TRP 6 HZ3 TRP 6 10.150 5.981 3.689 44 HH2 TRP 6 HH2 TRP 6 11.097 8.065 2.836 45 H LYS 7 H LYS 7 2.526 5.759 4.141 46 HA LYS 7 HA LYS 7 1.829 4.809 6.770 47 HB2 LYS 7 HB3 LYS 7 0.330 5.308 4.273 48 HB3 LYS 7 HB2 LYS 7 -0.371 4.327 5.528 49 HG2 LYS 7 HG3 LYS 7 0.606 7.157 5.967 50 HG3 LYS 7 HG2 LYS 7 -1.067 6.740 5.588 51 HD2 LYS 7 HD3 LYS 7 -1.139 5.320 7.617 52 HD3 LYS 7 HD2 LYS 7 0.497 5.834 8.007 53 HE2 LYS 7 HE3 LYS 7 -1.845 7.715 7.719 54 HE3 LYS 7 HE2 LYS 7 -1.288 7.053 9.250 55 HZ1 LYS 7 HZ1 LYS 7 -0.400 9.264 8.874 56 HZ2 LYS 7 HZ2 LYS 7 0.342 8.764 7.443 57 HZ3 LYS 7 HZ3 LYS 7 0.827 8.124 8.912 58 H ALA 8 H ALA 8 1.195 2.845 7.255 59 HA ALA 8 HA ALA 8 2.446 0.702 5.784 60 HB1 ALA 8 HB1 ALA 8 0.831 0.627 8.338 61 HB2 ALA 8 HB2 ALA 8 2.588 0.742 8.232 62 HB3 ALA 8 HB3 ALA 8 1.763 -0.712 7.669 63 H CYS 9 H CYS 9 1.405 0.043 4.064 64 HA CYS 9 HA CYS 9 -1.498 0.056 4.007 65 HB2 CYS 9 HB3 CYS 9 -1.010 -0.599 1.615 66 HB3 CYS 9 HB2 CYS 9 -0.601 1.034 2.090 67 H ASN 10 H ASN 10 -2.150 -1.868 2.378 68 HA ASN 10 HA ASN 10 -1.311 -4.298 3.727 69 HB2 ASN 10 HB3 ASN 10 -3.811 -3.529 2.253 70 HB3 ASN 10 HB2 ASN 10 -3.454 -5.149 2.800 71 HD21 ASN 10 HD21 ASN 10 -3.488 -5.517 5.115 72 HD22 ASN 10 HD22 ASN 10 -4.339 -4.441 6.151 73 HA PRO 11 HA PRO 11 0.626 -4.806 -0.389 74 HB2 PRO 11 HB3 PRO 11 1.148 -7.458 0.859 75 HB3 PRO 11 HB2 PRO 11 2.254 -6.403 -0.019 76 HG2 PRO 11 HG3 PRO 11 2.423 -6.551 2.609 77 HG3 PRO 11 HG2 PRO 11 2.531 -4.965 1.818 78 HD2 PRO 11 HD3 PRO 11 0.215 -6.207 3.259 79 HD3 PRO 11 HD2 PRO 11 0.805 -4.531 3.305 80 H SER 12 H SER 12 -1.311 -7.173 1.314 81 HA SER 12 HA SER 12 -2.097 -8.540 -1.097 82 HB2 SER 12 HB3 SER 12 -1.789 -9.782 1.025 83 HB3 SER 12 HB2 SER 12 -3.138 -8.889 1.723 84 HG SER 12 HG SER 12 -4.255 -9.796 -0.296 85 H ASN 13 H ASN 13 -3.151 -5.710 0.396 86 HA ASN 13 HA ASN 13 -5.618 -5.834 -1.123 87 HB2 ASN 13 HB3 ASN 13 -6.191 -6.263 1.321 88 HB3 ASN 13 HB2 ASN 13 -5.517 -4.686 1.699 89 HD21 ASN 13 HD21 ASN 13 -8.160 -5.578 2.191 90 HD22 ASN 13 HD22 ASN 13 -9.242 -4.580 1.305 91 H ASP 14 H ASP 14 -4.045 -4.847 -2.411 92 HA ASP 14 HA ASP 14 -2.734 -2.488 -1.658 93 HB2 ASP 14 HB3 ASP 14 -1.739 -3.941 -3.247 94 HB3 ASP 14 HB2 ASP 14 -3.146 -3.811 -4.308 95 H GLN 15 H GLN 15 -3.729 -0.689 -1.436 96 HA GLN 15 HA GLN 15 -5.623 0.199 -3.476 97 HB2 GLN 15 HB3 GLN 15 -6.962 -0.500 -1.530 98 HB3 GLN 15 HB2 GLN 15 -6.031 0.579 -0.503 99 HG2 GLN 15 HG3 GLN 15 -6.820 2.484 -1.856 100 HG3 GLN 15 HG2 GLN 15 -7.845 1.383 -2.770 101 HE21 GLN 15 HE21 GLN 15 -7.384 3.058 0.212 102 HE22 GLN 15 HE22 GLN 15 -8.910 2.684 0.899 103 H CYS 16 H CYS 16 -4.355 1.573 -0.451 104 HA CYS 16 HA CYS 16 -3.502 3.617 0.018 105 HB2 CYS 16 HB3 CYS 16 -1.551 2.374 -0.943 106 HB3 CYS 16 HB2 CYS 16 -1.907 3.080 -2.513 107 H CYS 17 H CYS 17 -2.491 5.464 -2.196 108 HA CYS 17 HA CYS 17 -5.134 6.599 -2.761 109 HB2 CYS 17 HB3 CYS 17 -2.998 7.959 -1.902 110 HB3 CYS 17 HB2 CYS 17 -2.653 7.882 -3.622 111 H LYS 18 H LYS 18 -5.989 5.943 -4.579 112 HA LYS 18 HA LYS 18 -4.358 5.002 -6.798 113 HB2 LYS 18 HB3 LYS 18 -7.332 5.528 -6.840 114 HB3 LYS 18 HB2 LYS 18 -6.414 4.546 -7.963 115 HG2 LYS 18 HG3 LYS 18 -5.936 2.980 -6.092 116 HG3 LYS 18 HG2 LYS 18 -7.045 3.926 -5.095 117 HD2 LYS 18 HD3 LYS 18 -8.764 3.583 -6.916 118 HD3 LYS 18 HD2 LYS 18 -7.653 2.407 -7.615 119 HE2 LYS 18 HE3 LYS 18 -9.203 1.190 -6.311 120 HE3 LYS 18 HE2 LYS 18 -7.691 1.220 -5.413 121 HZ1 LYS 18 HZ1 LYS 18 -9.598 1.657 -3.996 122 HZ2 LYS 18 HZ2 LYS 18 -10.015 3.005 -4.899 123 HZ3 LYS 18 HZ3 LYS 18 -8.591 3.012 -4.021 124 H SER 19 H SER 19 -5.971 7.797 -5.791 125 HA SER 19 HA SER 19 -6.183 9.171 -8.223 126 HB2 SER 19 HB3 SER 19 -7.378 9.674 -6.033 127 HB3 SER 19 HB2 SER 19 -5.881 10.406 -5.479 128 HG SER 19 HG SER 19 -6.076 11.981 -6.940 129 H SER 20 H SER 20 -3.507 8.773 -5.932 130 HA SER 20 HA SER 20 -1.924 10.606 -7.578 131 HB2 SER 20 HB3 SER 20 -1.417 9.543 -4.817 132 HB3 SER 20 HB2 SER 20 -0.298 10.565 -5.739 133 HG SER 20 HG SER 20 -1.473 12.240 -5.330 134 H LYS 21 H LYS 21 -2.740 7.558 -7.483 135 HA LYS 21 HA LYS 21 -2.033 5.701 -8.381 136 HB2 LYS 21 HB3 LYS 21 0.141 7.454 -9.525 137 HB3 LYS 21 HB2 LYS 21 -0.240 5.827 -10.081 138 HG2 LYS 21 HG3 LYS 21 -2.213 8.054 -10.025 139 HG3 LYS 21 HG2 LYS 21 -1.212 7.724 -11.446 140 HD2 LYS 21 HD3 LYS 21 -2.135 5.446 -11.562 141 HD3 LYS 21 HD2 LYS 21 -3.113 5.761 -10.134 142 HE2 LYS 21 HE3 LYS 21 -3.349 7.242 -12.749 143 HE3 LYS 21 HE2 LYS 21 -4.380 5.905 -12.255 144 HZ1 LYS 21 HZ1 LYS 21 -4.185 8.574 -10.951 145 HZ2 LYS 21 HZ2 LYS 21 -4.992 7.254 -10.290 146 HZ3 LYS 21 HZ3 LYS 21 -5.521 7.898 -11.741 147 H LEU 22 H LEU 22 -1.259 6.061 -5.714 148 HA LEU 22 HA LEU 22 1.479 5.262 -5.460 149 HB2 LEU 22 HB3 LEU 22 -0.602 5.888 -3.416 150 HB3 LEU 22 HB2 LEU 22 1.116 5.754 -3.189 151 HG LEU 22 HG LEU 22 -0.278 7.965 -4.679 152 HD11 LEU 22 HD11 LEU 22 0.497 9.381 -2.837 153 HD12 LEU 22 HD12 LEU 22 1.161 7.964 -2.031 154 HD13 LEU 22 HD13 LEU 22 -0.586 8.111 -2.256 155 HD21 LEU 22 HD21 LEU 22 1.914 7.471 -5.623 156 HD22 LEU 22 HD22 LEU 22 2.601 7.593 -3.997 157 HD23 LEU 22 HD23 LEU 22 1.918 9.023 -4.771 158 H VAL 23 H VAL 23 1.772 3.286 -5.058 159 HA VAL 23 HA VAL 23 -0.510 1.512 -4.485 160 HB VAL 23 HB VAL 23 0.749 -0.326 -5.551 161 HG11 VAL 23 HG11 VAL 23 -0.830 0.936 -6.896 162 HG12 VAL 23 HG12 VAL 23 0.553 0.460 -7.884 163 HG13 VAL 23 HG13 VAL 23 0.420 2.114 -7.289 164 HG21 VAL 23 HG21 VAL 23 2.747 1.810 -6.306 165 HG22 VAL 23 HG22 VAL 23 2.773 0.130 -6.856 166 HG23 VAL 23 HG23 VAL 23 3.006 0.508 -5.147 167 H CYS 24 H CYS 24 0.370 -0.643 -3.424 168 HA CYS 24 HA CYS 24 1.774 0.291 -1.068 169 HB2 CYS 24 HB3 CYS 24 -0.340 -0.969 -0.840 170 HB3 CYS 24 HB2 CYS 24 0.433 -2.358 -1.602 171 H SER 25 H SER 25 3.752 -0.275 -0.539 172 HA SER 25 HA SER 25 5.383 -1.731 -2.297 173 HB2 SER 25 HB3 SER 25 6.305 0.182 -1.066 174 HB3 SER 25 HB2 SER 25 5.946 -0.614 0.465 175 HG SER 25 HG SER 25 8.160 -0.723 -0.856 176 H ARG 26 H ARG 26 6.301 -3.691 -1.886 177 HA ARG 26 HA ARG 26 4.700 -5.459 -0.168 178 HB2 ARG 26 HB3 ARG 26 4.936 -5.891 -2.626 179 HB3 ARG 26 HB2 ARG 26 6.667 -6.049 -2.294 180 HG2 ARG 26 HG3 ARG 26 6.286 -7.957 -0.887 181 HG3 ARG 26 HG2 ARG 26 4.541 -7.818 -1.101 182 HD2 ARG 26 HD3 ARG 26 4.824 -8.272 -3.499 183 HD3 ARG 26 HD2 ARG 26 6.568 -8.416 -3.256 184 HE ARG 26 HE ARG 26 4.818 -10.141 -1.700 185 HH11 ARG 26 HH11 ARG 26 6.985 -9.871 -4.476 186 HH12 ARG 26 HH12 ARG 26 7.302 -11.537 -4.577 187 HH21 ARG 26 HH21 ARG 26 5.283 -12.425 -1.811 188 HH22 ARG 26 HH22 ARG 26 6.333 -13.016 -3.022 189 H LYS 27 H LYS 27 7.948 -4.605 -1.118 190 HA LYS 27 HA LYS 27 9.255 -6.330 0.707 191 HB2 LYS 27 HB3 LYS 27 10.323 -5.558 -1.369 192 HB3 LYS 27 HB2 LYS 27 10.269 -3.904 -0.776 193 HG2 LYS 27 HG3 LYS 27 11.742 -4.571 1.105 194 HG3 LYS 27 HG2 LYS 27 11.851 -6.182 0.405 195 HD2 LYS 27 HD3 LYS 27 13.810 -4.935 -0.207 196 HD3 LYS 27 HD2 LYS 27 12.820 -5.171 -1.644 197 HE2 LYS 27 HE3 LYS 27 13.721 -2.897 -1.534 198 HE3 LYS 27 HE2 LYS 27 11.964 -2.892 -1.445 199 HZ1 LYS 27 HZ1 LYS 27 12.058 -2.438 0.887 200 HZ2 LYS 27 HZ2 LYS 27 13.129 -1.380 0.168 201 HZ3 LYS 27 HZ3 LYS 27 13.704 -2.748 0.960 202 H THR 28 H THR 28 8.247 -2.993 0.686 203 HA THR 28 HA THR 28 9.527 -2.762 3.361 204 HB THR 28 HB THR 28 8.854 -0.311 1.830 205 HG1 THR 28 HG1 THR 28 10.595 -0.575 0.562 206 HG21 THR 28 HG21 THR 28 10.889 0.480 2.958 207 HG22 THR 28 HG22 THR 28 11.144 -1.130 3.629 208 HG23 THR 28 HG23 THR 28 9.740 -0.181 4.121 209 H ARG 29 H ARG 29 6.544 -2.587 1.806 210 HA ARG 29 HA ARG 29 4.465 -2.143 2.372 211 HB2 ARG 29 HB3 ARG 29 4.993 -3.913 4.012 212 HB3 ARG 29 HB2 ARG 29 5.363 -2.672 5.196 213 HG2 ARG 29 HG3 ARG 29 3.064 -1.875 5.086 214 HG3 ARG 29 HG2 ARG 29 2.691 -3.121 3.893 215 HD2 ARG 29 HD3 ARG 29 3.344 -4.833 5.530 216 HD3 ARG 29 HD2 ARG 29 3.620 -3.554 6.716 217 HE ARG 29 HE ARG 29 1.042 -3.323 5.649 218 HH11 ARG 29 HH11 ARG 29 2.881 -5.419 7.845 219 HH12 ARG 29 HH12 ARG 29 1.515 -5.890 8.742 220 HH21 ARG 29 HH21 ARG 29 -0.820 -3.941 6.938 221 HH22 ARG 29 HH22 ARG 29 -0.599 -5.010 8.249 222 H TRP 30 H TRP 30 4.777 -0.042 1.673 223 HA TRP 30 HA TRP 30 3.435 1.851 3.217 224 HB2 TRP 30 HB3 TRP 30 5.053 3.694 2.988 225 HB3 TRP 30 HB2 TRP 30 5.579 2.539 4.168 226 HD1 TRP 30 HD1 TRP 30 6.293 2.491 0.317 227 HE1 TRP 30 HE1 TRP 30 8.849 2.632 -0.010 228 HE3 TRP 30 HE3 TRP 30 7.723 3.025 5.193 229 HZ2 TRP 30 HZ2 TRP 30 11.142 2.949 1.572 230 HZ3 TRP 30 HZ3 TRP 30 10.121 3.254 5.700 231 HH2 TRP 30 HH2 TRP 30 11.790 3.215 3.921 232 H CYS 31 H CYS 31 3.588 3.930 1.735 233 HA CYS 31 HA CYS 31 2.594 2.718 -0.630 234 HB2 CYS 31 HB3 CYS 31 2.278 5.286 0.747 235 HB3 CYS 31 HB2 CYS 31 1.880 5.224 -0.979 236 H LYS 32 H LYS 32 3.429 2.863 -2.544 237 HA LYS 32 HA LYS 32 6.118 3.887 -2.806 238 HB2 LYS 32 HB3 LYS 32 4.411 2.394 -4.810 239 HB3 LYS 32 HB2 LYS 32 6.119 2.804 -4.977 240 HG2 LYS 32 HG3 LYS 32 6.663 1.444 -3.088 241 HG3 LYS 32 HG2 LYS 32 4.969 1.061 -2.837 242 HD2 LYS 32 HD3 LYS 32 6.102 -0.819 -3.954 243 HD3 LYS 32 HD2 LYS 32 4.927 -0.099 -5.046 244 HE2 LYS 32 HE3 LYS 32 6.722 1.090 -6.196 245 HE3 LYS 32 HE2 LYS 32 7.892 0.437 -5.049 246 HZ1 LYS 32 HZ1 LYS 32 7.439 -1.775 -5.863 247 HZ2 LYS 32 HZ2 LYS 32 7.832 -0.786 -7.165 248 HZ3 LYS 32 HZ3 LYS 32 6.233 -1.208 -6.889 249 H TRP 33 H TRP 33 6.540 5.700 -3.620 250 HA TRP 33 HA TRP 33 4.428 7.452 -4.334 251 HB2 TRP 33 HB3 TRP 33 6.527 8.107 -3.066 252 HB3 TRP 33 HB2 TRP 33 7.359 8.071 -4.619 253 HD1 TRP 33 HD1 TRP 33 7.273 10.239 -5.985 254 HE1 TRP 33 HE1 TRP 33 5.905 12.456 -5.857 255 HE3 TRP 33 HE3 TRP 33 4.017 8.980 -2.282 256 HZ2 TRP 33 HZ2 TRP 33 3.741 13.487 -4.378 257 HZ3 TRP 33 HZ3 TRP 33 2.332 10.615 -1.572 258 HH2 TRP 33 HH2 TRP 33 2.202 12.825 -2.604 259 H GLN 34 H GLN 34 3.921 8.356 -6.207 260 HA GLN 34 HA GLN 34 3.851 6.906 -8.503 261 HB2 GLN 34 HB3 GLN 34 3.239 9.058 -9.643 262 HB3 GLN 34 HB2 GLN 34 2.331 8.708 -8.181 263 HG2 GLN 34 HG3 GLN 34 3.816 10.252 -6.935 264 HG3 GLN 34 HG2 GLN 34 4.625 10.642 -8.448 265 HE21 GLN 34 HE21 GLN 34 3.180 12.367 -6.627 266 HE22 GLN 34 HE22 GLN 34 1.928 13.087 -7.563 267 H ILE 35 H ILE 35 6.196 9.475 -7.821 268 HA ILE 35 HA ILE 35 7.697 8.459 -10.065 269 HB ILE 35 HB ILE 35 9.072 10.584 -9.953 270 HG12 ILE 35 HG12 ILE 35 7.689 12.601 -8.973 271 HG13 ILE 35 HG11 ILE 35 6.959 11.382 -7.947 272 HG21 ILE 35 HG21 ILE 35 7.450 10.277 -11.667 273 HG22 ILE 35 HG22 ILE 35 7.430 11.960 -11.140 274 HG23 ILE 35 HG23 ILE 35 6.161 10.854 -10.611 275 HD11 ILE 35 HD11 ILE 35 8.752 12.531 -6.797 276 HD12 ILE 35 HD12 ILE 35 9.882 12.093 -8.077 277 HD13 ILE 35 HD13 ILE 35 9.186 10.839 -7.051 278 HN1 NH2 36 HN1 NH2 36 9.400 7.312 -9.787 279 HN2 NH2 36 HN2 NH2 36 10.126 7.013 -8.249
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