NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640894 | 6nom | 30561 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 12.211 7.557 6.180 2 H2 LYS 1 HT2 LYS 1 13.660 6.690 6.160 3 H3 LYS 1 HT3 LYS 1 12.550 6.448 7.412 4 HA LYS 1 HA LYS 1 12.494 4.637 5.829 5 HB2 LYS 1 HB2 LYS 1 10.068 4.674 5.380 6 HB3 LYS 1 HB1 LYS 1 10.442 5.182 7.019 7 HG2 LYS 1 HG2 LYS 1 10.263 7.550 6.216 8 HG3 LYS 1 HG1 LYS 1 9.637 6.907 4.698 9 HD2 LYS 1 HD2 LYS 1 7.796 5.843 5.888 10 HD3 LYS 1 HD1 LYS 1 8.434 6.428 7.427 11 HE2 LYS 1 HE2 LYS 1 6.715 7.929 6.866 12 HE3 LYS 1 HE1 LYS 1 8.208 8.766 6.448 13 HZ1 LYS 1 HZ1 LYS 1 6.323 7.419 4.603 14 HZ2 LYS 1 HZ2 LYS 1 7.853 7.974 4.130 15 HZ3 LYS 1 HZ3 LYS 1 6.688 9.071 4.677 16 H THR 2 HN THR 2 11.076 4.235 3.648 17 HA THR 2 HA THR 2 12.379 5.928 1.645 18 HB THR 2 HB THR 2 12.007 4.145 0.035 19 HG1 THR 2 HG1 THR 2 10.151 3.193 0.828 20 HG21 THR 2 HG21 THR 2 13.492 2.437 1.048 21 HG22 THR 2 HG22 THR 2 13.296 3.239 2.606 22 HG23 THR 2 HG23 THR 2 14.077 4.085 1.269 23 H CYS 3 HN CYS 3 10.969 5.746 -0.510 24 HA CYS 3 HA CYS 3 8.976 7.633 -0.280 25 HB2 CYS 3 HB2 CYS 3 9.053 5.502 -2.421 26 HB3 CYS 3 HB1 CYS 3 8.389 7.128 -2.552 27 H GLU 4 HN GLU 4 7.105 7.522 0.733 28 HA GLU 4 HA GLU 4 5.560 5.039 0.578 29 HB2 GLU 4 HB2 GLU 4 6.601 4.960 2.732 30 HB3 GLU 4 HB1 GLU 4 6.195 6.642 3.050 31 HG2 GLU 4 HG2 GLU 4 3.746 5.892 2.862 32 HG3 GLU 4 HG1 GLU 4 4.379 4.247 3.031 33 H ASN 5 HN ASN 5 3.506 5.335 0.112 34 HA ASN 5 HA ASN 5 2.279 7.905 0.796 35 HB2 ASN 5 HB2 ASN 5 1.130 8.080 -1.257 36 HB3 ASN 5 HB1 ASN 5 2.769 7.653 -1.706 37 HD21 ASN 5 HD21 ASN 5 -0.514 6.572 -1.467 38 HD22 ASN 5 HD22 ASN 5 -0.336 5.162 -2.457 39 H LEU 6 HN LEU 6 -0.013 7.740 1.078 40 HA LEU 6 HA LEU 6 -0.728 5.160 2.199 41 HB2 LEU 6 HB2 LEU 6 -1.147 7.637 3.151 42 HB3 LEU 6 HB1 LEU 6 -2.645 7.413 2.267 43 HG LEU 6 HG LEU 6 -1.607 5.675 4.533 44 HD11 LEU 6 HD11 LEU 6 -3.995 7.508 4.264 45 HD12 LEU 6 HD12 LEU 6 -2.566 7.782 5.262 46 HD13 LEU 6 HD13 LEU 6 -3.663 6.454 5.637 47 HD21 LEU 6 HD21 LEU 6 -3.812 4.560 4.294 48 HD22 LEU 6 HD22 LEU 6 -2.655 4.224 3.009 49 HD23 LEU 6 HD23 LEU 6 -3.988 5.360 2.729 50 H SER 7 HN SER 7 -1.791 3.745 1.043 51 HA SER 7 HA SER 7 -3.070 4.525 -1.423 52 HB2 SER 7 HB2 SER 7 -3.350 2.076 -1.730 53 HB3 SER 7 HB1 SER 7 -1.673 2.530 -1.449 54 HG SER 7 HG SER 7 -1.931 1.865 0.723 55 H GLY 8 HN GLY 8 -5.127 4.998 -1.534 56 HA2 GLY 8 HA2 GLY 8 -7.300 3.667 -0.721 57 HA3 GLY 8 HA1 GLY 8 -6.858 4.535 0.742 58 H THR 9 HN THR 9 -8.116 6.199 0.979 59 HA THR 9 HA THR 9 -9.565 7.472 -1.042 60 HB THR 9 HB THR 9 -10.353 7.591 1.206 61 HG1 THR 9 HG1 THR 9 -11.007 9.432 0.239 62 HG21 THR 9 HG21 THR 9 -7.793 9.045 1.901 63 HG22 THR 9 HG22 THR 9 -8.242 7.417 2.408 64 HG23 THR 9 HG23 THR 9 -9.160 8.805 2.990 65 H PHE 10 HN PHE 10 -6.679 8.583 0.705 66 HA PHE 10 HA PHE 10 -6.390 10.820 -1.113 67 HB2 PHE 10 HB2 PHE 10 -6.225 11.007 1.415 68 HB3 PHE 10 HB1 PHE 10 -4.712 10.122 1.297 69 HD1 PHE 10 HD1 PHE 10 -6.247 12.981 -0.552 70 HD2 PHE 10 HD2 PHE 10 -2.898 11.455 1.580 71 HE1 PHE 10 HE1 PHE 10 -5.058 15.105 -0.915 72 HE2 PHE 10 HE2 PHE 10 -1.707 13.573 1.218 73 HZ PHE 10 HZ PHE 10 -2.782 15.400 -0.027 74 H LYS 11 HN LYS 11 -4.618 11.128 -2.406 75 HA LYS 11 HA LYS 11 -2.827 10.690 -3.694 76 HB2 LYS 11 HB2 LYS 11 -0.783 10.190 -2.455 77 HB3 LYS 11 HB1 LYS 11 -1.787 11.362 -1.619 78 HG2 LYS 11 HG2 LYS 11 -2.652 9.277 -0.319 79 HG3 LYS 11 HG1 LYS 11 -1.149 8.552 -0.888 80 HD2 LYS 11 HD2 LYS 11 -1.309 11.165 0.599 81 HD3 LYS 11 HD1 LYS 11 -1.008 9.611 1.370 82 HE2 LYS 11 HE2 LYS 11 1.053 9.357 0.185 83 HE3 LYS 11 HE1 LYS 11 0.697 10.736 -0.849 84 HZ1 LYS 11 HZ1 LYS 11 0.948 12.204 0.994 85 HZ2 LYS 11 HZ2 LYS 11 2.310 11.204 0.949 86 HZ3 LYS 11 HZ3 LYS 11 1.092 10.923 2.086 87 H GLY 12 HN GLY 12 -4.678 8.640 -4.078 88 HA2 GLY 12 HA2 GLY 12 -4.291 7.002 -5.771 89 HA3 GLY 12 HA1 GLY 12 -2.746 6.643 -5.025 90 HA PRO 13 HA PRO 13 -6.152 3.918 -3.111 91 HB2 PRO 13 HB2 PRO 13 -7.681 2.775 -4.969 92 HB3 PRO 13 HB1 PRO 13 -8.023 4.406 -4.390 93 HG2 PRO 13 HG2 PRO 13 -6.779 3.521 -6.945 94 HG3 PRO 13 HG1 PRO 13 -7.842 4.903 -6.632 95 HD2 PRO 13 HD2 PRO 13 -5.036 4.957 -6.844 96 HD3 PRO 13 HD1 PRO 13 -6.076 6.261 -6.242 97 H CYS 14 HN CYS 14 -6.776 1.424 -3.776 98 HA CYS 14 HA CYS 14 -4.786 0.081 -5.326 99 HB2 CYS 14 HB2 CYS 14 -3.484 0.526 -3.314 100 HB3 CYS 14 HB1 CYS 14 -4.723 -0.233 -2.323 101 H ILE 15 HN ILE 15 -6.461 -1.153 -2.414 102 HA ILE 15 HA ILE 15 -8.196 -2.780 -4.134 103 HB ILE 15 HB ILE 15 -7.644 -4.811 -2.819 104 HG12 ILE 15 HG12 ILE 15 -5.507 -2.989 -1.706 105 HG13 ILE 15 HG11 ILE 15 -6.753 -3.858 -0.821 106 HG21 ILE 15 HG21 ILE 15 -5.348 -3.572 -4.333 107 HG22 ILE 15 HG22 ILE 15 -6.678 -4.506 -5.019 108 HG23 ILE 15 HG23 ILE 15 -5.513 -5.286 -3.949 109 HD11 ILE 15 HD11 ILE 15 -5.690 -5.964 -1.327 110 HD12 ILE 15 HD12 ILE 15 -4.547 -4.865 -0.556 111 HD13 ILE 15 HD13 ILE 15 -4.471 -5.138 -2.297 112 HA PRO 16 HA PRO 16 -10.969 -1.837 -0.834 113 HB2 PRO 16 HB2 PRO 16 -13.163 -3.007 -1.780 114 HB3 PRO 16 HB1 PRO 16 -12.403 -1.664 -2.641 115 HG2 PRO 16 HG2 PRO 16 -12.346 -4.579 -3.249 116 HG3 PRO 16 HG1 PRO 16 -12.355 -3.198 -4.357 117 HD2 PRO 16 HD2 PRO 16 -10.099 -4.684 -3.538 118 HD3 PRO 16 HD1 PRO 16 -10.091 -3.145 -4.417 119 H ASP 17 HN ASP 17 -9.497 -4.730 -0.887 120 HA ASP 17 HA ASP 17 -11.469 -6.238 0.627 121 HB2 ASP 17 HB2 ASP 17 -8.682 -6.959 -0.276 122 HB3 ASP 17 HB1 ASP 17 -9.753 -8.045 0.600 123 H GLY 18 HN GLY 18 -8.690 -4.280 1.269 124 HA2 GLY 18 HA2 GLY 18 -8.269 -3.356 3.395 125 HA3 GLY 18 HA1 GLY 18 -9.194 -4.658 4.119 126 H ASN 19 HN ASN 19 -7.354 -6.314 2.141 127 HA ASN 19 HA ASN 19 -5.369 -6.926 4.135 128 HB2 ASN 19 HB2 ASN 19 -4.661 -8.563 2.202 129 HB3 ASN 19 HB1 ASN 19 -6.108 -8.877 3.144 130 HD21 ASN 19 HD21 ASN 19 -5.870 -6.386 0.693 131 HD22 ASN 19 HD22 ASN 19 -6.981 -7.110 -0.417 132 H CYS 20 HN CYS 20 -4.410 -4.759 4.012 133 HA CYS 20 HA CYS 20 -3.318 -3.828 1.617 134 HB2 CYS 20 HB2 CYS 20 -2.407 -2.021 2.944 135 HB3 CYS 20 HB1 CYS 20 -4.081 -2.320 3.341 136 H ASN 21 HN ASN 21 -1.650 -4.914 4.575 137 HA ASN 21 HA ASN 21 0.884 -4.504 3.501 138 HB2 ASN 21 HB2 ASN 21 1.604 -6.192 5.339 139 HB3 ASN 21 HB1 ASN 21 0.921 -4.640 5.801 140 HD21 ASN 21 HD21 ASN 21 -1.228 -4.554 6.505 141 HD22 ASN 21 HD22 ASN 21 -1.985 -5.949 7.209 142 H LYS 22 HN LYS 22 -1.020 -7.523 3.611 143 HA LYS 22 HA LYS 22 1.013 -9.109 2.505 144 HB2 LYS 22 HB2 LYS 22 -0.604 -10.772 2.084 145 HB3 LYS 22 HB1 LYS 22 -1.113 -9.955 3.549 146 HG2 LYS 22 HG2 LYS 22 -2.753 -8.681 2.269 147 HG3 LYS 22 HG1 LYS 22 -2.222 -9.480 0.798 148 HD2 LYS 22 HD2 LYS 22 -4.199 -10.571 1.517 149 HD3 LYS 22 HD1 LYS 22 -2.853 -11.658 1.840 150 HE2 LYS 22 HE2 LYS 22 -3.907 -9.825 3.966 151 HE3 LYS 22 HE1 LYS 22 -4.695 -11.361 3.630 152 HZ1 LYS 22 HZ1 LYS 22 -1.885 -10.973 4.502 153 HZ2 LYS 22 HZ2 LYS 22 -2.548 -12.459 4.054 154 HZ3 LYS 22 HZ3 LYS 22 -3.145 -11.640 5.406 155 H HIS 23 HN HIS 23 -1.185 -6.843 0.986 156 HA HIS 23 HA HIS 23 -0.964 -7.946 -1.619 157 HB2 HIS 23 HB2 HIS 23 -2.732 -6.300 -0.863 158 HB3 HIS 23 HB1 HIS 23 -1.505 -5.047 -1.004 159 HD1 HIS 23 HD1 HIS 23 -1.060 -4.122 -3.329 160 HD2 HIS 23 HD2 HIS 23 -3.435 -7.535 -3.362 161 HE1 HIS 23 HE1 HIS 23 -1.879 -4.352 -5.691 162 HE2 HIS 23 HE2 HIS 23 -3.207 -6.494 -5.715 163 H CYS 24 HN CYS 24 0.504 -4.906 -0.355 164 HA CYS 24 HA CYS 24 2.217 -4.639 -2.590 165 HB2 CYS 24 HB2 CYS 24 2.257 -3.414 0.151 166 HB3 CYS 24 HB1 CYS 24 3.614 -3.195 -0.933 167 H ARG 25 HN ARG 25 2.492 -6.581 0.274 168 HA ARG 25 HA ARG 25 5.375 -6.802 0.021 169 HB2 ARG 25 HB2 ARG 25 3.520 -8.224 1.920 170 HB3 ARG 25 HB1 ARG 25 5.271 -8.189 2.005 171 HG2 ARG 25 HG2 ARG 25 3.482 -5.804 2.231 172 HG3 ARG 25 HG1 ARG 25 4.232 -6.652 3.588 173 HD2 ARG 25 HD2 ARG 25 5.903 -5.647 1.346 174 HD3 ARG 25 HD1 ARG 25 5.366 -4.519 2.583 175 HE ARG 25 HE ARG 25 7.457 -6.427 2.787 176 HH11 ARG 25 HH11 ARG 25 4.873 -5.049 4.724 177 HH12 ARG 25 HH12 ARG 25 5.712 -5.272 6.221 178 HH21 ARG 25 HH21 ARG 25 8.561 -6.689 4.751 179 HH22 ARG 25 HH22 ARG 25 7.816 -6.191 6.237 180 H ASN 26 HN ASN 26 2.550 -8.678 -0.834 181 HA ASN 26 HA ASN 26 4.149 -11.084 -1.173 182 HB2 ASN 26 HB2 ASN 26 1.244 -10.481 -1.667 183 HB3 ASN 26 HB1 ASN 26 1.979 -11.968 -2.239 184 HD21 ASN 26 HD21 ASN 26 2.918 -10.425 0.732 185 HD22 ASN 26 HD22 ASN 26 2.250 -11.609 1.800 186 H ASN 27 HN ASN 27 2.467 -8.794 -3.300 187 HA ASN 27 HA ASN 27 3.431 -10.241 -5.616 188 HB2 ASN 27 HB2 ASN 27 1.903 -9.065 -6.880 189 HB3 ASN 27 HB1 ASN 27 1.111 -9.078 -5.316 190 HD21 ASN 27 HD21 ASN 27 1.237 -7.129 -4.005 191 HD22 ASN 27 HD22 ASN 27 1.401 -5.597 -4.815 192 H GLU 28 HN GLU 28 4.110 -7.212 -3.965 193 HA GLU 28 HA GLU 28 6.086 -6.566 -6.055 194 HB2 GLU 28 HB2 GLU 28 4.087 -5.013 -5.519 195 HB3 GLU 28 HB1 GLU 28 4.969 -4.616 -4.054 196 HG2 GLU 28 HG2 GLU 28 5.418 -2.944 -5.670 197 HG3 GLU 28 HG1 GLU 28 6.879 -3.907 -5.461 198 H HIS 29 HN HIS 29 5.604 -7.285 -2.740 199 HA HIS 29 HA HIS 29 6.930 -7.511 -0.941 200 HB2 HIS 29 HB2 HIS 29 8.164 -8.961 -2.640 201 HB3 HIS 29 HB1 HIS 29 9.285 -7.617 -2.825 202 HD1 HIS 29 HD1 HIS 29 10.450 -6.844 -0.463 203 HD2 HIS 29 HD2 HIS 29 8.803 -10.655 -0.618 204 HE1 HIS 29 HE1 HIS 29 11.430 -8.085 1.488 205 HE2 HIS 29 HE2 HIS 29 10.563 -10.437 1.263 206 H LEU 30 HN LEU 30 6.239 -5.072 -0.928 207 HA LEU 30 HA LEU 30 8.468 -3.254 -1.164 208 HB2 LEU 30 HB2 LEU 30 5.756 -2.734 0.038 209 HB3 LEU 30 HB1 LEU 30 6.956 -1.534 -0.397 210 HG LEU 30 HG LEU 30 5.259 -3.214 -2.224 211 HD11 LEU 30 HD11 LEU 30 5.647 -0.264 -1.806 212 HD12 LEU 30 HD12 LEU 30 4.194 -1.220 -1.516 213 HD13 LEU 30 HD13 LEU 30 4.758 -0.952 -3.164 214 HD21 LEU 30 HD21 LEU 30 7.474 -3.330 -3.149 215 HD22 LEU 30 HD22 LEU 30 7.695 -1.595 -2.940 216 HD23 LEU 30 HD23 LEU 30 6.513 -2.197 -4.099 217 H LEU 31 HN LEU 31 8.142 -1.557 0.988 218 HA LEU 31 HA LEU 31 9.471 -3.149 3.034 219 HB2 LEU 31 HB2 LEU 31 9.120 -0.167 3.009 220 HB3 LEU 31 HB1 LEU 31 10.327 -1.104 3.870 221 HG LEU 31 HG LEU 31 10.150 -0.590 0.920 222 HD11 LEU 31 HD11 LEU 31 12.412 0.316 1.256 223 HD12 LEU 31 HD12 LEU 31 12.266 -0.004 2.984 224 HD13 LEU 31 HD13 LEU 31 11.198 1.168 2.211 225 HD21 LEU 31 HD21 LEU 31 10.707 -2.906 1.149 226 HD22 LEU 31 HD22 LEU 31 11.933 -2.538 2.367 227 HD23 LEU 31 HD23 LEU 31 12.160 -2.011 0.698 228 H SER 32 HN SER 32 6.845 -0.711 2.928 229 HA SER 32 HA SER 32 5.927 -1.735 5.537 230 HB2 SER 32 HB2 SER 32 5.287 0.694 3.893 231 HB3 SER 32 HB1 SER 32 4.240 0.187 5.204 232 HG SER 32 HG SER 32 6.382 1.658 5.385 233 H GLY 33 HN GLY 33 4.930 -1.311 2.268 234 HA2 GLY 33 HA2 GLY 33 3.631 -2.556 0.910 235 HA3 GLY 33 HA1 GLY 33 3.751 -3.832 2.095 236 H ARG 34 HN ARG 34 2.283 -0.812 3.014 237 HA ARG 34 HA ARG 34 -0.137 -2.192 3.732 238 HB2 ARG 34 HB2 ARG 34 1.290 0.263 4.256 239 HB3 ARG 34 HB1 ARG 34 -0.420 0.591 4.105 240 HG2 ARG 34 HG2 ARG 34 -0.835 -1.065 5.894 241 HG3 ARG 34 HG1 ARG 34 0.906 -1.330 6.021 242 HD2 ARG 34 HD2 ARG 34 1.267 0.961 6.659 243 HD3 ARG 34 HD1 ARG 34 -0.435 1.369 6.373 244 HE ARG 34 HE ARG 34 -0.702 -0.496 8.229 245 HH11 ARG 34 HH11 ARG 34 1.671 2.085 8.086 246 HH12 ARG 34 HH12 ARG 34 1.775 2.253 9.808 247 HH21 ARG 34 HH21 ARG 34 -0.557 -0.276 10.494 248 HH22 ARG 34 HH22 ARG 34 0.497 0.922 11.175 249 H CYS 35 HN CYS 35 -0.970 -2.774 1.497 250 HA CYS 35 HA CYS 35 -1.876 -0.499 -0.098 251 HB2 CYS 35 HB2 CYS 35 -0.621 -2.747 -0.864 252 HB3 CYS 35 HB1 CYS 35 -2.294 -3.204 -1.155 253 H ARG 36 HN ARG 36 -3.979 0.314 0.417 254 HA ARG 36 HA ARG 36 -6.012 -1.595 -0.453 255 HB2 ARG 36 HB2 ARG 36 -7.356 -0.015 1.455 256 HB3 ARG 36 HB1 ARG 36 -7.175 -1.750 1.435 257 HG2 ARG 36 HG2 ARG 36 -4.791 -0.913 2.449 258 HG3 ARG 36 HG1 ARG 36 -5.910 0.269 3.108 259 HD2 ARG 36 HD2 ARG 36 -7.350 -1.666 3.843 260 HD3 ARG 36 HD1 ARG 36 -6.031 -2.735 3.399 261 HE ARG 36 HE ARG 36 -4.740 -1.240 5.073 262 HH11 ARG 36 HH11 ARG 36 -8.083 -2.249 5.412 263 HH12 ARG 36 HH12 ARG 36 -8.043 -2.213 7.138 264 HH21 ARG 36 HH21 ARG 36 -4.700 -1.211 7.351 265 HH22 ARG 36 HH22 ARG 36 -6.131 -1.625 8.239 266 H ASP 37 HN ASP 37 -8.238 -0.361 -0.580 267 HA ASP 37 HA ASP 37 -7.822 2.256 -1.879 268 HB2 ASP 37 HB2 ASP 37 -8.249 0.865 -3.714 269 HB3 ASP 37 HB1 ASP 37 -9.369 -0.143 -2.811 270 H ASP 38 HN ASP 38 -10.661 0.263 -1.100 271 HA ASP 38 HA ASP 38 -12.251 2.308 -0.048 272 HB2 ASP 38 HB2 ASP 38 -13.235 0.196 -0.678 273 HB3 ASP 38 HB1 ASP 38 -12.229 -0.676 0.472 274 H PHE 39 HN PHE 39 -9.809 0.287 1.327 275 HA PHE 39 HA PHE 39 -10.050 1.583 3.941 276 HB2 PHE 39 HB2 PHE 39 -8.619 -0.868 2.948 277 HB3 PHE 39 HB1 PHE 39 -8.452 -0.262 4.591 278 HD1 PHE 39 HD1 PHE 39 -10.794 0.107 5.810 279 HD2 PHE 39 HD2 PHE 39 -10.130 -2.520 2.514 280 HE1 PHE 39 HE1 PHE 39 -12.795 -1.177 6.438 281 HE2 PHE 39 HE2 PHE 39 -12.139 -3.801 3.145 282 HZ PHE 39 HZ PHE 39 -13.468 -3.132 5.106 283 H ARG 40 HN ARG 40 -7.831 2.167 4.946 284 HA ARG 40 HA ARG 40 -6.074 3.144 2.789 285 HB2 ARG 40 HB2 ARG 40 -5.623 5.132 4.265 286 HB3 ARG 40 HB1 ARG 40 -7.259 5.037 3.636 287 HG2 ARG 40 HG2 ARG 40 -7.952 4.027 5.819 288 HG3 ARG 40 HG1 ARG 40 -6.333 4.384 6.424 289 HD2 ARG 40 HD2 ARG 40 -8.232 6.439 5.299 290 HD3 ARG 40 HD1 ARG 40 -8.043 6.096 7.017 291 HE ARG 40 HE ARG 40 -5.550 6.687 6.418 292 HH11 ARG 40 HH11 ARG 40 -8.482 8.274 5.360 293 HH12 ARG 40 HH12 ARG 40 -7.735 9.833 5.202 294 HH21 ARG 40 HH21 ARG 40 -4.568 8.746 6.236 295 HH22 ARG 40 HH22 ARG 40 -5.507 10.099 5.695 296 H CYS 41 HN CYS 41 -4.168 2.270 2.834 297 HA CYS 41 HA CYS 41 -2.755 1.919 5.381 298 HB2 CYS 41 HB2 CYS 41 -3.617 -0.121 3.540 299 HB3 CYS 41 HB1 CYS 41 -1.882 -0.165 3.704 300 H TRP 42 HN TRP 42 -0.450 2.407 5.257 301 HA TRP 42 HA TRP 42 0.424 3.915 2.922 302 HB2 TRP 42 HB2 TRP 42 1.876 3.320 5.502 303 HB3 TRP 42 HB1 TRP 42 2.385 4.472 4.283 304 HD1 TRP 42 HD1 TRP 42 -0.133 4.031 7.128 305 HE1 TRP 42 HE1 TRP 42 -1.048 6.355 7.771 306 HE3 TRP 42 HE3 TRP 42 1.921 6.788 3.349 307 HZ2 TRP 42 HZ2 TRP 42 -0.917 9.002 6.788 308 HZ3 TRP 42 HZ3 TRP 42 1.473 9.192 3.268 309 HH2 TRP 42 HH2 TRP 42 0.089 10.283 4.952 310 H CYS 43 HN CYS 43 1.273 2.620 1.165 311 HA CYS 43 HA CYS 43 3.126 0.476 1.881 312 HB2 CYS 43 HB2 CYS 43 2.268 1.449 -0.849 313 HB3 CYS 43 HB1 CYS 43 3.498 0.231 -0.609 314 H THR 44 HN THR 44 5.271 0.582 1.836 315 HA THR 44 HA THR 44 6.548 3.118 1.055 316 HB THR 44 HB THR 44 7.564 1.264 3.213 317 HG1 THR 44 HG1 THR 44 5.808 3.481 3.397 318 HG21 THR 44 HG21 THR 44 8.293 4.028 2.289 319 HG22 THR 44 HG22 THR 44 9.325 2.607 2.471 320 HG23 THR 44 HG23 THR 44 8.714 3.442 3.900 321 H ASN 45 HN ASN 45 8.149 2.963 -0.390 322 HA ASN 45 HA ASN 45 9.946 0.717 -0.504 323 HB2 ASN 45 HB2 ASN 45 7.935 -0.028 -1.855 324 HB3 ASN 45 HB1 ASN 45 8.280 1.289 -2.967 325 HD21 ASN 45 HD21 ASN 45 9.415 -1.758 -1.696 326 HD22 ASN 45 HD22 ASN 45 10.514 -2.112 -2.980 327 H ARG 46 HN ARG 46 11.328 1.163 -2.719 328 HA ARG 46 HA ARG 46 12.205 3.926 -2.333 329 HB2 ARG 46 HB2 ARG 46 13.654 1.759 -3.856 330 HB3 ARG 46 HB1 ARG 46 14.315 3.260 -3.233 331 HG2 ARG 46 HG2 ARG 46 15.125 1.767 -1.699 332 HG3 ARG 46 HG1 ARG 46 13.621 2.256 -0.918 333 HD2 ARG 46 HD2 ARG 46 12.506 0.277 -1.701 334 HD3 ARG 46 HD1 ARG 46 13.911 -0.190 -2.652 335 HE ARG 46 HE ARG 46 14.344 0.085 0.208 336 HH11 ARG 46 HH11 ARG 46 13.663 -2.066 -2.477 337 HH12 ARG 46 HH12 ARG 46 14.148 -3.491 -1.619 338 HH21 ARG 46 HH21 ARG 46 14.977 -1.796 1.337 339 HH22 ARG 46 HH22 ARG 46 14.891 -3.342 0.553 340 H CYS 47 HN CYS 47 11.584 5.394 -3.792 341 HA CYS 47 HA CYS 47 10.476 4.419 -6.305 342 HB2 CYS 47 HB2 CYS 47 9.421 6.637 -6.487 343 HB3 CYS 47 HB1 CYS 47 9.009 5.837 -4.978 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 13.881 7.054 5.264 2 H2 LYS 1 HT2 LYS 1 12.844 6.917 6.589 3 H3 LYS 1 HT3 LYS 1 12.489 8.005 5.345 4 HA LYS 1 HA LYS 1 12.543 5.059 5.123 5 HB2 LYS 1 HB2 LYS 1 10.133 5.229 4.787 6 HB3 LYS 1 HB1 LYS 1 10.579 5.935 6.335 7 HG2 LYS 1 HG2 LYS 1 10.365 8.150 5.456 8 HG3 LYS 1 HG1 LYS 1 10.119 7.528 3.827 9 HD2 LYS 1 HD2 LYS 1 7.994 8.190 4.754 10 HD3 LYS 1 HD1 LYS 1 8.036 6.433 4.607 11 HE2 LYS 1 HE2 LYS 1 8.524 6.226 6.976 12 HE3 LYS 1 HE1 LYS 1 8.582 7.980 7.138 13 HZ1 LYS 1 HZ1 LYS 1 6.466 7.103 7.877 14 HZ2 LYS 1 HZ2 LYS 1 6.194 6.385 6.369 15 HZ3 LYS 1 HZ3 LYS 1 6.250 8.072 6.507 16 H THR 2 HN THR 2 11.140 4.556 3.055 17 HA THR 2 HA THR 2 12.287 6.088 0.834 18 HB THR 2 HB THR 2 11.735 4.168 -0.576 19 HG1 THR 2 HG1 THR 2 10.191 2.985 0.226 20 HG21 THR 2 HG21 THR 2 13.941 4.275 0.488 21 HG22 THR 2 HG22 THR 2 13.392 2.608 0.316 22 HG23 THR 2 HG23 THR 2 13.308 3.406 1.886 23 H CYS 3 HN CYS 3 10.582 5.678 -1.182 24 HA CYS 3 HA CYS 3 8.694 7.693 -0.649 25 HB2 CYS 3 HB2 CYS 3 7.775 7.228 -2.881 26 HB3 CYS 3 HB1 CYS 3 9.531 7.322 -2.911 27 H GLU 4 HN GLU 4 6.926 7.576 0.502 28 HA GLU 4 HA GLU 4 5.433 5.045 0.602 29 HB2 GLU 4 HB2 GLU 4 6.767 5.245 2.640 30 HB3 GLU 4 HB1 GLU 4 6.149 6.862 2.910 31 HG2 GLU 4 HG2 GLU 4 3.855 5.838 3.097 32 HG3 GLU 4 HG1 GLU 4 4.651 4.258 3.113 33 H ASN 5 HN ASN 5 3.238 5.242 0.628 34 HA ASN 5 HA ASN 5 2.107 7.808 1.348 35 HB2 ASN 5 HB2 ASN 5 0.825 8.159 -0.594 36 HB3 ASN 5 HB1 ASN 5 2.444 7.816 -1.165 37 HD21 ASN 5 HD21 ASN 5 -0.796 6.622 -0.828 38 HD22 ASN 5 HD22 ASN 5 -0.668 5.356 -2.009 39 H LEU 6 HN LEU 6 -0.037 7.735 1.868 40 HA LEU 6 HA LEU 6 -1.031 5.133 2.690 41 HB2 LEU 6 HB2 LEU 6 -1.174 7.658 3.782 42 HB3 LEU 6 HB1 LEU 6 -2.755 7.485 3.049 43 HG LEU 6 HG LEU 6 -1.526 5.709 5.182 44 HD11 LEU 6 HD11 LEU 6 -2.438 7.821 5.995 45 HD12 LEU 6 HD12 LEU 6 -3.461 6.472 6.487 46 HD13 LEU 6 HD13 LEU 6 -3.955 7.514 5.153 47 HD21 LEU 6 HD21 LEU 6 -2.673 4.168 3.948 48 HD22 LEU 6 HD22 LEU 6 -3.902 5.334 3.428 49 HD23 LEU 6 HD23 LEU 6 -3.910 4.726 5.084 50 H SER 7 HN SER 7 -2.466 4.028 1.476 51 HA SER 7 HA SER 7 -3.240 5.263 -1.045 52 HB2 SER 7 HB2 SER 7 -3.352 2.354 -0.242 53 HB3 SER 7 HB1 SER 7 -3.433 3.021 -1.869 54 HG SER 7 HG SER 7 -1.208 3.721 -0.382 55 H GLY 8 HN GLY 8 -5.311 5.124 -1.889 56 HA2 GLY 8 HA2 GLY 8 -7.565 4.083 -1.657 57 HA3 GLY 8 HA1 GLY 8 -7.454 4.497 0.053 58 H THR 9 HN THR 9 -8.685 6.203 0.526 59 HA THR 9 HA THR 9 -9.418 8.197 -1.355 60 HB THR 9 HB THR 9 -10.673 7.694 0.779 61 HG1 THR 9 HG1 THR 9 -11.463 9.553 0.163 62 HG21 THR 9 HG21 THR 9 -8.405 9.259 2.022 63 HG22 THR 9 HG22 THR 9 -8.819 7.575 2.339 64 HG23 THR 9 HG23 THR 9 -9.921 8.860 2.832 65 H PHE 10 HN PHE 10 -6.737 7.644 0.702 66 HA PHE 10 HA PHE 10 -5.589 10.288 0.368 67 HB2 PHE 10 HB2 PHE 10 -4.760 7.802 1.847 68 HB3 PHE 10 HB1 PHE 10 -3.641 9.136 1.605 69 HD1 PHE 10 HD1 PHE 10 -4.176 11.349 2.524 70 HD2 PHE 10 HD2 PHE 10 -6.410 7.881 3.514 71 HE1 PHE 10 HE1 PHE 10 -5.074 12.505 4.511 72 HE2 PHE 10 HE2 PHE 10 -7.319 9.018 5.503 73 HZ PHE 10 HZ PHE 10 -6.649 11.337 6.002 74 H LYS 11 HN LYS 11 -4.100 10.789 -1.114 75 HA LYS 11 HA LYS 11 -2.444 10.649 -2.654 76 HB2 LYS 11 HB2 LYS 11 -1.705 8.440 -0.748 77 HB3 LYS 11 HB1 LYS 11 -0.659 8.930 -2.065 78 HG2 LYS 11 HG2 LYS 11 0.166 10.057 -0.204 79 HG3 LYS 11 HG1 LYS 11 -0.761 11.273 -1.067 80 HD2 LYS 11 HD2 LYS 11 -2.607 10.952 0.484 81 HD3 LYS 11 HD1 LYS 11 -1.703 9.701 1.343 82 HE2 LYS 11 HE2 LYS 11 0.021 11.342 1.901 83 HE3 LYS 11 HE1 LYS 11 -0.872 12.591 1.036 84 HZ1 LYS 11 HZ1 LYS 11 -1.223 12.677 3.439 85 HZ2 LYS 11 HZ2 LYS 11 -1.875 11.121 3.413 86 HZ3 LYS 11 HZ3 LYS 11 -2.665 12.380 2.610 87 H GLY 12 HN GLY 12 -4.831 9.198 -3.431 88 HA2 GLY 12 HA2 GLY 12 -5.274 8.090 -5.454 89 HA3 GLY 12 HA1 GLY 12 -3.624 7.491 -5.471 90 HA PRO 13 HA PRO 13 -6.835 4.495 -3.440 91 HB2 PRO 13 HB2 PRO 13 -8.025 3.288 -5.516 92 HB3 PRO 13 HB1 PRO 13 -8.633 4.811 -4.858 93 HG2 PRO 13 HG2 PRO 13 -6.852 4.373 -7.238 94 HG3 PRO 13 HG1 PRO 13 -8.318 5.368 -7.121 95 HD2 PRO 13 HD2 PRO 13 -5.850 6.427 -6.930 96 HD3 PRO 13 HD1 PRO 13 -7.216 7.060 -5.985 97 H CYS 14 HN CYS 14 -6.991 2.010 -3.921 98 HA CYS 14 HA CYS 14 -4.830 0.947 -5.494 99 HB2 CYS 14 HB2 CYS 14 -3.611 1.500 -3.464 100 HB3 CYS 14 HB1 CYS 14 -4.781 0.616 -2.491 101 H ILE 15 HN ILE 15 -6.245 -0.639 -2.644 102 HA ILE 15 HA ILE 15 -7.871 -2.313 -4.408 103 HB ILE 15 HB ILE 15 -7.003 -4.374 -3.384 104 HG12 ILE 15 HG12 ILE 15 -5.211 -2.404 -1.988 105 HG13 ILE 15 HG11 ILE 15 -6.068 -3.798 -1.341 106 HG21 ILE 15 HG21 ILE 15 -4.904 -4.466 -4.647 107 HG22 ILE 15 HG22 ILE 15 -4.930 -2.708 -4.804 108 HG23 ILE 15 HG23 ILE 15 -6.190 -3.680 -5.563 109 HD11 ILE 15 HD11 ILE 15 -3.688 -4.187 -1.357 110 HD12 ILE 15 HD12 ILE 15 -3.633 -3.899 -3.095 111 HD13 ILE 15 HD13 ILE 15 -4.504 -5.294 -2.461 112 HA PRO 16 HA PRO 16 -10.412 -1.879 -0.818 113 HB2 PRO 16 HB2 PRO 16 -12.681 -2.837 -1.909 114 HB3 PRO 16 HB1 PRO 16 -11.982 -1.284 -2.375 115 HG2 PRO 16 HG2 PRO 16 -12.109 -3.797 -3.887 116 HG3 PRO 16 HG1 PRO 16 -11.849 -2.149 -4.471 117 HD2 PRO 16 HD2 PRO 16 -9.893 -4.216 -3.964 118 HD3 PRO 16 HD1 PRO 16 -9.642 -2.606 -4.659 119 H ASP 17 HN ASP 17 -8.842 -4.501 -1.228 120 HA ASP 17 HA ASP 17 -10.734 -6.468 -0.218 121 HB2 ASP 17 HB2 ASP 17 -7.765 -6.814 -0.658 122 HB3 ASP 17 HB1 ASP 17 -8.972 -8.083 -0.484 123 H GLY 18 HN GLY 18 -8.345 -4.295 1.018 124 HA2 GLY 18 HA2 GLY 18 -7.970 -3.799 3.276 125 HA3 GLY 18 HA1 GLY 18 -8.885 -5.231 3.717 126 H ASN 19 HN ASN 19 -6.881 -6.203 1.446 127 HA ASN 19 HA ASN 19 -5.045 -7.535 3.230 128 HB2 ASN 19 HB2 ASN 19 -4.347 -8.735 1.255 129 HB3 ASN 19 HB1 ASN 19 -6.103 -8.677 1.334 130 HD21 ASN 19 HD21 ASN 19 -6.018 -5.804 0.437 131 HD22 ASN 19 HD22 ASN 19 -5.778 -5.887 -1.262 132 H CYS 20 HN CYS 20 -4.637 -4.665 3.104 133 HA CYS 20 HA CYS 20 -2.970 -3.755 1.168 134 HB2 CYS 20 HB2 CYS 20 -2.201 -2.030 2.727 135 HB3 CYS 20 HB1 CYS 20 -3.948 -2.207 2.746 136 H ASN 21 HN ASN 21 -1.937 -5.197 4.244 137 HA ASN 21 HA ASN 21 0.799 -4.829 3.792 138 HB2 ASN 21 HB2 ASN 21 -0.717 -6.719 5.551 139 HB3 ASN 21 HB1 ASN 21 1.038 -6.771 5.462 140 HD21 ASN 21 HD21 ASN 21 1.219 -3.888 5.021 141 HD22 ASN 21 HD22 ASN 21 0.881 -3.173 6.556 142 H LYS 22 HN LYS 22 -1.131 -7.744 3.369 143 HA LYS 22 HA LYS 22 1.058 -9.245 2.436 144 HB2 LYS 22 HB2 LYS 22 -1.111 -10.624 1.504 145 HB3 LYS 22 HB1 LYS 22 -0.448 -10.766 3.125 146 HG2 LYS 22 HG2 LYS 22 -2.068 -9.113 3.931 147 HG3 LYS 22 HG1 LYS 22 -2.718 -8.962 2.306 148 HD2 LYS 22 HD2 LYS 22 -2.619 -11.590 3.731 149 HD3 LYS 22 HD1 LYS 22 -3.952 -10.459 3.948 150 HE2 LYS 22 HE2 LYS 22 -4.511 -10.547 1.649 151 HE3 LYS 22 HE1 LYS 22 -3.047 -11.459 1.261 152 HZ1 LYS 22 HZ1 LYS 22 -5.320 -12.426 2.911 153 HZ2 LYS 22 HZ2 LYS 22 -3.909 -13.301 2.587 154 HZ3 LYS 22 HZ3 LYS 22 -4.966 -12.906 1.329 155 H HIS 23 HN HIS 23 -1.348 -7.292 0.717 156 HA HIS 23 HA HIS 23 -0.793 -8.424 -1.819 157 HB2 HIS 23 HB2 HIS 23 -2.757 -6.884 -1.180 158 HB3 HIS 23 HB1 HIS 23 -1.636 -5.559 -1.488 159 HD1 HIS 23 HD1 HIS 23 -1.076 -5.029 -3.938 160 HD2 HIS 23 HD2 HIS 23 -3.490 -8.381 -3.472 161 HE1 HIS 23 HE1 HIS 23 -1.886 -5.608 -6.245 162 HE2 HIS 23 HE2 HIS 23 -3.459 -7.547 -5.918 163 H CYS 24 HN CYS 24 0.452 -5.437 -0.284 164 HA CYS 24 HA CYS 24 2.286 -4.832 -2.347 165 HB2 CYS 24 HB2 CYS 24 2.038 -4.078 0.535 166 HB3 CYS 24 HB1 CYS 24 3.565 -3.784 -0.269 167 H ARG 25 HN ARG 25 2.599 -6.712 0.655 168 HA ARG 25 HA ARG 25 5.463 -6.773 0.395 169 HB2 ARG 25 HB2 ARG 25 3.640 -8.091 2.405 170 HB3 ARG 25 HB1 ARG 25 5.384 -7.990 2.530 171 HG2 ARG 25 HG2 ARG 25 3.530 -5.640 2.427 172 HG3 ARG 25 HG1 ARG 25 4.241 -6.309 3.898 173 HD2 ARG 25 HD2 ARG 25 6.132 -5.688 1.740 174 HD3 ARG 25 HD1 ARG 25 5.347 -4.284 2.455 175 HE ARG 25 HE ARG 25 6.368 -4.782 4.516 176 HH11 ARG 25 HH11 ARG 25 7.260 -7.136 2.079 177 HH12 ARG 25 HH12 ARG 25 8.662 -7.676 2.939 178 HH21 ARG 25 HH21 ARG 25 8.209 -5.497 5.641 179 HH22 ARG 25 HH22 ARG 25 9.210 -6.740 4.956 180 H ASN 26 HN ASN 26 2.845 -9.089 -0.002 181 HA ASN 26 HA ASN 26 4.656 -11.300 -0.343 182 HB2 ASN 26 HB2 ASN 26 1.692 -11.038 -0.811 183 HB3 ASN 26 HB1 ASN 26 2.576 -12.523 -1.072 184 HD21 ASN 26 HD21 ASN 26 4.313 -11.921 1.280 185 HD22 ASN 26 HD22 ASN 26 3.334 -12.293 2.657 186 H ASN 27 HN ASN 27 2.768 -9.194 -2.451 187 HA ASN 27 HA ASN 27 3.400 -10.835 -4.745 188 HB2 ASN 27 HB2 ASN 27 1.855 -8.246 -4.565 189 HB3 ASN 27 HB1 ASN 27 1.975 -9.269 -5.993 190 HD21 ASN 27 HD21 ASN 27 0.688 -8.974 -2.779 191 HD22 ASN 27 HD22 ASN 27 -0.497 -10.223 -2.922 192 H GLU 28 HN GLU 28 4.096 -7.503 -3.679 193 HA GLU 28 HA GLU 28 6.041 -7.361 -5.877 194 HB2 GLU 28 HB2 GLU 28 4.073 -5.755 -5.843 195 HB3 GLU 28 HB1 GLU 28 4.824 -4.990 -4.442 196 HG2 GLU 28 HG2 GLU 28 6.751 -4.404 -5.744 197 HG3 GLU 28 HG1 GLU 28 6.140 -5.298 -7.135 198 H HIS 29 HN HIS 29 5.634 -7.207 -2.470 199 HA HIS 29 HA HIS 29 7.095 -7.533 -0.801 200 HB2 HIS 29 HB2 HIS 29 8.332 -8.892 -2.623 201 HB3 HIS 29 HB1 HIS 29 9.421 -7.511 -2.708 202 HD1 HIS 29 HD1 HIS 29 10.639 -6.897 -0.357 203 HD2 HIS 29 HD2 HIS 29 8.892 -10.659 -0.629 204 HE1 HIS 29 HE1 HIS 29 11.610 -8.231 1.534 205 HE2 HIS 29 HE2 HIS 29 10.412 -10.442 1.452 206 H LEU 30 HN LEU 30 6.265 -4.973 -1.343 207 HA LEU 30 HA LEU 30 8.381 -3.141 -1.369 208 HB2 LEU 30 HB2 LEU 30 5.538 -2.845 -0.438 209 HB3 LEU 30 HB1 LEU 30 6.688 -1.527 -0.460 210 HG LEU 30 HG LEU 30 6.982 -1.900 -2.888 211 HD11 LEU 30 HD11 LEU 30 6.357 -4.160 -2.934 212 HD12 LEU 30 HD12 LEU 30 5.344 -3.225 -4.043 213 HD13 LEU 30 HD13 LEU 30 4.707 -3.749 -2.479 214 HD21 LEU 30 HD21 LEU 30 5.340 -0.217 -1.936 215 HD22 LEU 30 HD22 LEU 30 4.090 -1.422 -2.247 216 HD23 LEU 30 HD23 LEU 30 5.031 -0.767 -3.585 217 H LEU 31 HN LEU 31 7.923 -1.431 0.724 218 HA LEU 31 HA LEU 31 9.513 -2.913 2.677 219 HB2 LEU 31 HB2 LEU 31 9.041 0.050 2.581 220 HB3 LEU 31 HB1 LEU 31 10.308 -0.798 3.446 221 HG LEU 31 HG LEU 31 10.021 -0.394 0.490 222 HD11 LEU 31 HD11 LEU 31 12.276 0.518 0.710 223 HD12 LEU 31 HD12 LEU 31 12.233 0.199 2.444 224 HD13 LEU 31 HD13 LEU 31 11.122 1.372 1.733 225 HD21 LEU 31 HD21 LEU 31 12.017 -1.835 0.234 226 HD22 LEU 31 HD22 LEU 31 10.569 -2.705 0.744 227 HD23 LEU 31 HD23 LEU 31 11.832 -2.327 1.918 228 H SER 32 HN SER 32 6.809 -0.559 2.843 229 HA SER 32 HA SER 32 6.205 -1.689 5.504 230 HB2 SER 32 HB2 SER 32 5.760 0.907 4.208 231 HB3 SER 32 HB1 SER 32 4.382 0.312 5.126 232 HG SER 32 HG SER 32 7.048 0.611 6.083 233 H GLY 33 HN GLY 33 4.906 -1.229 2.340 234 HA2 GLY 33 HA2 GLY 33 3.468 -2.499 1.153 235 HA3 GLY 33 HA1 GLY 33 3.735 -3.759 2.327 236 H ARG 34 HN ARG 34 2.117 -0.621 2.981 237 HA ARG 34 HA ARG 34 -0.254 -2.283 3.453 238 HB2 ARG 34 HB2 ARG 34 -0.156 0.638 4.197 239 HB3 ARG 34 HB1 ARG 34 -1.065 -0.682 4.929 240 HG2 ARG 34 HG2 ARG 34 0.878 -1.516 6.036 241 HG3 ARG 34 HG1 ARG 34 1.901 -0.328 5.217 242 HD2 ARG 34 HD2 ARG 34 0.395 1.465 6.246 243 HD3 ARG 34 HD1 ARG 34 -0.261 0.171 7.256 244 HE ARG 34 HE ARG 34 2.561 0.198 7.431 245 HH11 ARG 34 HH11 ARG 34 -0.284 1.927 8.513 246 HH12 ARG 34 HH12 ARG 34 0.499 2.590 9.911 247 HH21 ARG 34 HH21 ARG 34 3.592 1.069 9.269 248 HH22 ARG 34 HH22 ARG 34 2.698 2.096 10.346 249 H CYS 35 HN CYS 35 -0.735 -2.464 1.070 250 HA CYS 35 HA CYS 35 -1.762 0.033 -0.057 251 HB2 CYS 35 HB2 CYS 35 -0.280 -1.785 -1.303 252 HB3 CYS 35 HB1 CYS 35 -1.868 -2.453 -1.664 253 H ARG 36 HN ARG 36 -3.856 0.592 0.137 254 HA ARG 36 HA ARG 36 -5.900 -1.431 -0.332 255 HB2 ARG 36 HB2 ARG 36 -5.447 -0.123 2.246 256 HB3 ARG 36 HB1 ARG 36 -7.106 -0.058 1.698 257 HG2 ARG 36 HG2 ARG 36 -7.424 -2.275 1.982 258 HG3 ARG 36 HG1 ARG 36 -5.767 -2.684 1.542 259 HD2 ARG 36 HD2 ARG 36 -5.408 -3.033 3.698 260 HD3 ARG 36 HD1 ARG 36 -5.473 -1.288 3.906 261 HE ARG 36 HE ARG 36 -8.074 -2.342 4.065 262 HH11 ARG 36 HH11 ARG 36 -5.077 -2.251 5.879 263 HH12 ARG 36 HH12 ARG 36 -5.849 -2.523 7.407 264 HH21 ARG 36 HH21 ARG 36 -9.086 -2.710 6.096 265 HH22 ARG 36 HH22 ARG 36 -8.115 -2.775 7.529 266 H ASP 37 HN ASP 37 -8.130 -0.356 -0.416 267 HA ASP 37 HA ASP 37 -7.933 2.301 -1.670 268 HB2 ASP 37 HB2 ASP 37 -8.278 0.813 -3.475 269 HB3 ASP 37 HB1 ASP 37 -9.457 -0.133 -2.574 270 H ASP 38 HN ASP 38 -10.634 0.143 -0.833 271 HA ASP 38 HA ASP 38 -12.328 2.178 0.115 272 HB2 ASP 38 HB2 ASP 38 -13.158 -0.037 -0.562 273 HB3 ASP 38 HB1 ASP 38 -12.315 -0.777 0.798 274 H PHE 39 HN PHE 39 -9.948 0.183 1.595 275 HA PHE 39 HA PHE 39 -10.221 1.602 4.149 276 HB2 PHE 39 HB2 PHE 39 -8.430 -0.762 3.703 277 HB3 PHE 39 HB1 PHE 39 -9.199 -0.226 5.191 278 HD1 PHE 39 HD1 PHE 39 -11.634 -0.633 5.524 279 HD2 PHE 39 HD2 PHE 39 -9.463 -2.341 2.272 280 HE1 PHE 39 HE1 PHE 39 -13.421 -2.292 5.201 281 HE2 PHE 39 HE2 PHE 39 -11.256 -3.992 1.950 282 HZ PHE 39 HZ PHE 39 -13.232 -3.971 3.413 283 H ARG 40 HN ARG 40 -7.868 2.025 5.107 284 HA ARG 40 HA ARG 40 -6.282 2.973 2.834 285 HB2 ARG 40 HB2 ARG 40 -5.823 5.074 4.090 286 HB3 ARG 40 HB1 ARG 40 -7.506 4.887 3.626 287 HG2 ARG 40 HG2 ARG 40 -7.967 4.059 5.938 288 HG3 ARG 40 HG1 ARG 40 -6.308 4.495 6.357 289 HD2 ARG 40 HD2 ARG 40 -6.774 6.813 5.675 290 HD3 ARG 40 HD1 ARG 40 -8.441 6.362 5.330 291 HE ARG 40 HE ARG 40 -7.221 6.288 8.016 292 HH11 ARG 40 HH11 ARG 40 -10.002 6.702 5.927 293 HH12 ARG 40 HH12 ARG 40 -11.057 7.178 7.217 294 HH21 ARG 40 HH21 ARG 40 -8.617 6.924 9.712 295 HH22 ARG 40 HH22 ARG 40 -10.270 7.308 9.360 296 H CYS 41 HN CYS 41 -4.309 2.383 2.853 297 HA CYS 41 HA CYS 41 -2.976 1.771 5.380 298 HB2 CYS 41 HB2 CYS 41 -3.716 -0.006 3.199 299 HB3 CYS 41 HB1 CYS 41 -2.022 -0.132 3.626 300 H TRP 42 HN TRP 42 -0.726 2.288 5.470 301 HA TRP 42 HA TRP 42 0.376 3.975 3.357 302 HB2 TRP 42 HB2 TRP 42 1.501 3.083 6.018 303 HB3 TRP 42 HB1 TRP 42 2.374 4.107 4.899 304 HD1 TRP 42 HD1 TRP 42 -0.286 4.193 7.575 305 HE1 TRP 42 HE1 TRP 42 -0.895 6.644 8.075 306 HE3 TRP 42 HE3 TRP 42 2.171 6.450 3.706 307 HZ2 TRP 42 HZ2 TRP 42 -0.396 9.195 6.965 308 HZ3 TRP 42 HZ3 TRP 42 2.058 8.883 3.493 309 HH2 TRP 42 HH2 TRP 42 0.795 10.235 5.082 310 H CYS 43 HN CYS 43 1.206 2.777 1.533 311 HA CYS 43 HA CYS 43 3.027 0.578 2.265 312 HB2 CYS 43 HB2 CYS 43 1.204 0.103 0.564 313 HB3 CYS 43 HB1 CYS 43 2.096 1.138 -0.553 314 H THR 44 HN THR 44 5.076 0.958 2.348 315 HA THR 44 HA THR 44 6.261 3.264 0.998 316 HB THR 44 HB THR 44 7.710 1.422 2.881 317 HG1 THR 44 HG1 THR 44 6.519 3.687 3.975 318 HG21 THR 44 HG21 THR 44 8.571 3.888 3.462 319 HG22 THR 44 HG22 THR 44 8.119 4.128 1.770 320 HG23 THR 44 HG23 THR 44 9.285 2.883 2.206 321 H ASN 45 HN ASN 45 7.687 3.051 -0.657 322 HA ASN 45 HA ASN 45 8.788 0.393 -1.251 323 HB2 ASN 45 HB2 ASN 45 6.686 0.901 -2.607 324 HB3 ASN 45 HB1 ASN 45 7.617 2.165 -3.395 325 HD21 ASN 45 HD21 ASN 45 8.777 -0.988 -2.342 326 HD22 ASN 45 HD22 ASN 45 9.140 -1.581 -3.925 327 H ARG 46 HN ARG 46 10.437 0.622 -3.101 328 HA ARG 46 HA ARG 46 12.295 2.688 -2.279 329 HB2 ARG 46 HB2 ARG 46 12.619 0.395 -4.223 330 HB3 ARG 46 HB1 ARG 46 13.910 1.436 -3.643 331 HG2 ARG 46 HG2 ARG 46 14.142 0.278 -1.757 332 HG3 ARG 46 HG1 ARG 46 12.400 0.204 -1.487 333 HD2 ARG 46 HD2 ARG 46 12.187 -1.649 -2.996 334 HD3 ARG 46 HD1 ARG 46 13.887 -1.524 -3.460 335 HE ARG 46 HE ARG 46 14.083 -1.936 -0.827 336 HH11 ARG 46 HH11 ARG 46 12.180 -3.572 -3.266 337 HH12 ARG 46 HH12 ARG 46 12.211 -5.102 -2.447 338 HH21 ARG 46 HH21 ARG 46 14.129 -3.949 0.249 339 HH22 ARG 46 HH22 ARG 46 13.317 -5.313 -0.451 340 H CYS 47 HN CYS 47 12.444 4.544 -3.294 341 HA CYS 47 HA CYS 47 11.979 4.637 -6.192 342 HB2 CYS 47 HB2 CYS 47 11.100 6.638 -4.102 343 HB3 CYS 47 HB1 CYS 47 11.161 7.007 -5.821 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 12.005 7.518 7.565 2 H2 LYS 1 HT2 LYS 1 11.786 8.439 6.164 3 H3 LYS 1 HT3 LYS 1 13.231 7.603 6.403 4 HA LYS 1 HA LYS 1 12.124 5.503 6.231 5 HB2 LYS 1 HB2 LYS 1 9.744 5.396 5.625 6 HB3 LYS 1 HB1 LYS 1 9.963 6.181 7.185 7 HG2 LYS 1 HG2 LYS 1 9.749 8.370 6.082 8 HG3 LYS 1 HG1 LYS 1 9.452 7.547 4.553 9 HD2 LYS 1 HD2 LYS 1 7.456 6.488 5.542 10 HD3 LYS 1 HD1 LYS 1 7.752 7.375 7.041 11 HE2 LYS 1 HE2 LYS 1 7.580 9.491 5.755 12 HE3 LYS 1 HE1 LYS 1 7.146 8.553 4.331 13 HZ1 LYS 1 HZ1 LYS 1 5.204 7.712 5.572 14 HZ2 LYS 1 HZ2 LYS 1 5.176 9.394 5.375 15 HZ3 LYS 1 HZ3 LYS 1 5.611 8.730 6.864 16 H THR 2 HN THR 2 10.770 4.851 4.059 17 HA THR 2 HA THR 2 12.199 6.172 1.869 18 HB THR 2 HB THR 2 11.238 4.024 0.709 19 HG1 THR 2 HG1 THR 2 11.728 2.723 3.066 20 HG21 THR 2 HG21 THR 2 13.611 4.558 0.942 21 HG22 THR 2 HG22 THR 2 13.316 2.854 1.279 22 HG23 THR 2 HG23 THR 2 13.578 3.983 2.609 23 H CYS 3 HN CYS 3 10.738 5.870 -0.288 24 HA CYS 3 HA CYS 3 8.780 7.862 0.079 25 HB2 CYS 3 HB2 CYS 3 8.159 7.515 -2.254 26 HB3 CYS 3 HB1 CYS 3 9.905 7.540 -2.073 27 H GLU 4 HN GLU 4 6.909 7.681 1.022 28 HA GLU 4 HA GLU 4 5.541 5.082 0.945 29 HB2 GLU 4 HB2 GLU 4 6.608 5.520 3.132 30 HB3 GLU 4 HB1 GLU 4 5.697 7.019 3.257 31 HG2 GLU 4 HG2 GLU 4 3.603 5.685 3.178 32 HG3 GLU 4 HG1 GLU 4 4.586 4.219 3.243 33 H ASN 5 HN ASN 5 3.403 5.089 0.599 34 HA ASN 5 HA ASN 5 1.976 7.617 0.838 35 HB2 ASN 5 HB2 ASN 5 0.850 7.378 -1.273 36 HB3 ASN 5 HB1 ASN 5 2.581 7.377 -1.543 37 HD21 ASN 5 HD21 ASN 5 -0.306 5.439 -1.486 38 HD22 ASN 5 HD22 ASN 5 0.322 4.119 -2.412 39 H LEU 6 HN LEU 6 -0.144 7.426 1.290 40 HA LEU 6 HA LEU 6 -0.955 4.841 2.333 41 HB2 LEU 6 HB2 LEU 6 -1.223 7.319 3.365 42 HB3 LEU 6 HB1 LEU 6 -2.754 7.178 2.523 43 HG LEU 6 HG LEU 6 -1.707 5.394 4.749 44 HD11 LEU 6 HD11 LEU 6 -2.700 7.548 5.411 45 HD12 LEU 6 HD12 LEU 6 -3.700 6.183 5.903 46 HD13 LEU 6 HD13 LEU 6 -4.160 7.154 4.506 47 HD21 LEU 6 HD21 LEU 6 -3.929 5.018 2.780 48 HD22 LEU 6 HD22 LEU 6 -4.091 4.420 4.431 49 HD23 LEU 6 HD23 LEU 6 -2.757 3.847 3.417 50 H SER 7 HN SER 7 -1.998 3.529 1.034 51 HA SER 7 HA SER 7 -2.754 4.381 -1.576 52 HB2 SER 7 HB2 SER 7 -3.462 1.716 -0.371 53 HB3 SER 7 HB1 SER 7 -3.031 2.097 -2.037 54 HG SER 7 HG SER 7 -0.946 2.103 -1.532 55 H GLY 8 HN GLY 8 -4.854 4.097 -2.557 56 HA2 GLY 8 HA2 GLY 8 -7.154 3.317 -2.285 57 HA3 GLY 8 HA1 GLY 8 -7.087 3.913 -0.634 58 H THR 9 HN THR 9 -7.444 6.038 -0.220 59 HA THR 9 HA THR 9 -8.776 7.460 -2.360 60 HB THR 9 HB THR 9 -9.994 7.419 -0.317 61 HG1 THR 9 HG1 THR 9 -9.926 9.457 -1.491 62 HG21 THR 9 HG21 THR 9 -8.193 6.975 1.247 63 HG22 THR 9 HG22 THR 9 -9.133 8.368 1.781 64 HG23 THR 9 HG23 THR 9 -7.564 8.607 1.016 65 H PHE 10 HN PHE 10 -5.991 7.993 -0.182 66 HA PHE 10 HA PHE 10 -5.309 10.408 -1.657 67 HB2 PHE 10 HB2 PHE 10 -3.485 9.232 0.382 68 HB3 PHE 10 HB1 PHE 10 -3.836 10.919 0.044 69 HD1 PHE 10 HD1 PHE 10 -6.067 11.843 0.830 70 HD2 PHE 10 HD2 PHE 10 -4.479 8.120 2.119 71 HE1 PHE 10 HE1 PHE 10 -7.534 11.912 2.806 72 HE2 PHE 10 HE2 PHE 10 -5.947 8.174 4.099 73 HZ PHE 10 HZ PHE 10 -7.473 10.076 4.442 74 H LYS 11 HN LYS 11 -3.500 10.522 -3.023 75 HA LYS 11 HA LYS 11 -1.460 10.001 -3.885 76 HB2 LYS 11 HB2 LYS 11 -1.336 8.070 -1.563 77 HB3 LYS 11 HB1 LYS 11 0.030 8.708 -2.459 78 HG2 LYS 11 HG2 LYS 11 -0.020 10.710 -1.399 79 HG3 LYS 11 HG1 LYS 11 -1.775 10.690 -1.217 80 HD2 LYS 11 HD2 LYS 11 -1.599 9.086 0.598 81 HD3 LYS 11 HD1 LYS 11 0.135 8.990 0.378 82 HE2 LYS 11 HE2 LYS 11 -1.455 11.385 1.276 83 HE3 LYS 11 HE1 LYS 11 -0.370 10.411 2.263 84 HZ1 LYS 11 HZ1 LYS 11 0.432 12.099 -0.046 85 HZ2 LYS 11 HZ2 LYS 11 1.480 11.154 0.886 86 HZ3 LYS 11 HZ3 LYS 11 0.677 12.468 1.585 87 H GLY 12 HN GLY 12 -3.879 8.365 -4.639 88 HA2 GLY 12 HA2 GLY 12 -3.875 6.904 -6.543 89 HA3 GLY 12 HA1 GLY 12 -2.381 6.195 -5.954 90 HA PRO 13 HA PRO 13 -6.327 4.132 -4.119 91 HB2 PRO 13 HB2 PRO 13 -7.634 2.882 -6.082 92 HB3 PRO 13 HB1 PRO 13 -7.909 4.597 -5.737 93 HG2 PRO 13 HG2 PRO 13 -6.194 3.357 -7.864 94 HG3 PRO 13 HG1 PRO 13 -7.338 4.706 -8.004 95 HD2 PRO 13 HD2 PRO 13 -4.637 5.032 -7.733 96 HD3 PRO 13 HD1 PRO 13 -5.826 6.223 -7.172 97 H CYS 14 HN CYS 14 -7.061 1.711 -4.407 98 HA CYS 14 HA CYS 14 -5.216 -0.140 -5.509 99 HB2 CYS 14 HB2 CYS 14 -3.903 0.707 -3.554 100 HB3 CYS 14 HB1 CYS 14 -5.188 0.163 -2.487 101 H ILE 15 HN ILE 15 -5.888 -2.213 -3.478 102 HA ILE 15 HA ILE 15 -8.568 -2.709 -4.496 103 HB ILE 15 HB ILE 15 -8.248 -4.991 -3.685 104 HG12 ILE 15 HG12 ILE 15 -5.595 -3.895 -2.676 105 HG13 ILE 15 HG11 ILE 15 -6.906 -4.597 -1.724 106 HG21 ILE 15 HG21 ILE 15 -5.931 -3.927 -5.296 107 HG22 ILE 15 HG22 ILE 15 -7.510 -4.389 -5.929 108 HG23 ILE 15 HG23 ILE 15 -6.449 -5.612 -5.230 109 HD11 ILE 15 HD11 ILE 15 -5.066 -6.162 -1.990 110 HD12 ILE 15 HD12 ILE 15 -5.255 -6.091 -3.740 111 HD13 ILE 15 HD13 ILE 15 -6.543 -6.764 -2.740 112 HA PRO 16 HA PRO 16 -10.318 -1.589 -0.559 113 HB2 PRO 16 HB2 PRO 16 -12.922 -2.398 -1.415 114 HB3 PRO 16 HB1 PRO 16 -12.247 -0.769 -1.391 115 HG2 PRO 16 HG2 PRO 16 -12.888 -2.185 -3.678 116 HG3 PRO 16 HG1 PRO 16 -11.763 -0.819 -3.612 117 HD2 PRO 16 HD2 PRO 16 -11.190 -3.751 -3.672 118 HD3 PRO 16 HD1 PRO 16 -10.322 -2.413 -4.452 119 H ASP 17 HN ASP 17 -9.095 -3.969 -0.201 120 HA ASP 17 HA ASP 17 -11.196 -5.747 0.857 121 HB2 ASP 17 HB2 ASP 17 -8.391 -6.443 -0.018 122 HB3 ASP 17 HB1 ASP 17 -9.524 -7.574 0.712 123 H GLY 18 HN GLY 18 -8.524 -3.786 1.741 124 HA2 GLY 18 HA2 GLY 18 -7.990 -3.161 3.948 125 HA3 GLY 18 HA1 GLY 18 -8.890 -4.545 4.533 126 H ASN 19 HN ASN 19 -7.165 -5.775 2.208 127 HA ASN 19 HA ASN 19 -5.285 -7.056 3.961 128 HB2 ASN 19 HB2 ASN 19 -4.860 -8.518 2.043 129 HB3 ASN 19 HB1 ASN 19 -6.582 -8.348 2.337 130 HD21 ASN 19 HD21 ASN 19 -6.386 -5.569 1.078 131 HD22 ASN 19 HD22 ASN 19 -6.424 -5.891 -0.610 132 H CYS 20 HN CYS 20 -4.552 -4.514 3.870 133 HA CYS 20 HA CYS 20 -3.127 -3.542 1.769 134 HB2 CYS 20 HB2 CYS 20 -2.071 -2.015 3.370 135 HB3 CYS 20 HB1 CYS 20 -3.795 -2.131 3.571 136 H ASN 21 HN ASN 21 -1.554 -4.991 4.652 137 HA ASN 21 HA ASN 21 1.042 -4.757 3.667 138 HB2 ASN 21 HB2 ASN 21 -0.121 -6.773 5.596 139 HB3 ASN 21 HB1 ASN 21 1.595 -6.650 5.264 140 HD21 ASN 21 HD21 ASN 21 1.616 -3.789 5.070 141 HD22 ASN 21 HD22 ASN 21 1.399 -3.199 6.673 142 H LYS 22 HN LYS 22 -0.968 -7.694 3.623 143 HA LYS 22 HA LYS 22 0.968 -9.230 2.361 144 HB2 LYS 22 HB2 LYS 22 -1.197 -10.591 1.617 145 HB3 LYS 22 HB1 LYS 22 -0.585 -10.614 3.260 146 HG2 LYS 22 HG2 LYS 22 -2.237 -8.924 3.899 147 HG3 LYS 22 HG1 LYS 22 -2.861 -8.897 2.242 148 HD2 LYS 22 HD2 LYS 22 -3.614 -11.141 2.411 149 HD3 LYS 22 HD1 LYS 22 -2.708 -11.415 3.897 150 HE2 LYS 22 HE2 LYS 22 -5.076 -9.572 3.579 151 HE3 LYS 22 HE1 LYS 22 -5.096 -11.160 4.337 152 HZ1 LYS 22 HZ1 LYS 22 -3.567 -10.337 6.013 153 HZ2 LYS 22 HZ2 LYS 22 -4.975 -9.404 5.980 154 HZ3 LYS 22 HZ3 LYS 22 -3.553 -8.811 5.288 155 H HIS 23 HN HIS 23 -1.492 -7.152 0.887 156 HA HIS 23 HA HIS 23 -1.182 -8.202 -1.722 157 HB2 HIS 23 HB2 HIS 23 -3.072 -6.711 -1.005 158 HB3 HIS 23 HB1 HIS 23 -1.947 -5.357 -1.048 159 HD1 HIS 23 HD1 HIS 23 -2.147 -4.073 -3.169 160 HD2 HIS 23 HD2 HIS 23 -2.919 -8.115 -3.734 161 HE1 HIS 23 HE1 HIS 23 -2.740 -4.311 -5.595 162 HE2 HIS 23 HE2 HIS 23 -3.127 -6.777 -5.938 163 H CYS 24 HN CYS 24 0.211 -5.258 -0.273 164 HA CYS 24 HA CYS 24 1.793 -4.602 -2.532 165 HB2 CYS 24 HB2 CYS 24 1.268 -3.440 -0.003 166 HB3 CYS 24 HB1 CYS 24 2.978 -3.712 -0.065 167 H ARG 25 HN ARG 25 2.333 -6.669 0.246 168 HA ARG 25 HA ARG 25 5.204 -6.661 -0.132 169 HB2 ARG 25 HB2 ARG 25 3.489 -8.131 1.860 170 HB3 ARG 25 HB1 ARG 25 5.240 -8.051 1.893 171 HG2 ARG 25 HG2 ARG 25 3.435 -5.670 2.039 172 HG3 ARG 25 HG1 ARG 25 4.138 -6.480 3.444 173 HD2 ARG 25 HD2 ARG 25 5.874 -5.551 1.202 174 HD3 ARG 25 HD1 ARG 25 5.344 -4.396 2.433 175 HE ARG 25 HE ARG 25 7.342 -6.424 2.693 176 HH11 ARG 25 HH11 ARG 25 4.895 -4.676 4.502 177 HH12 ARG 25 HH12 ARG 25 5.681 -4.908 6.026 178 HH21 ARG 25 HH21 ARG 25 8.361 -6.736 4.721 179 HH22 ARG 25 HH22 ARG 25 7.636 -6.068 6.150 180 H ASN 26 HN ASN 26 2.543 -8.938 -0.595 181 HA ASN 26 HA ASN 26 4.435 -11.024 -1.298 182 HB2 ASN 26 HB2 ASN 26 1.440 -10.963 -1.130 183 HB3 ASN 26 HB1 ASN 26 2.298 -12.324 -1.837 184 HD21 ASN 26 HD21 ASN 26 1.615 -10.565 1.023 185 HD22 ASN 26 HD22 ASN 26 2.211 -11.727 2.155 186 H ASN 27 HN ASN 27 2.319 -8.788 -2.916 187 HA ASN 27 HA ASN 27 2.635 -10.126 -5.460 188 HB2 ASN 27 HB2 ASN 27 1.188 -7.577 -4.735 189 HB3 ASN 27 HB1 ASN 27 1.211 -8.286 -6.344 190 HD21 ASN 27 HD21 ASN 27 0.045 -8.586 -3.091 191 HD22 ASN 27 HD22 ASN 27 -1.149 -9.804 -3.415 192 H GLU 28 HN GLU 28 3.548 -6.966 -4.069 193 HA GLU 28 HA GLU 28 5.324 -6.617 -6.385 194 HB2 GLU 28 HB2 GLU 28 3.492 -4.907 -5.876 195 HB3 GLU 28 HB1 GLU 28 4.462 -4.436 -4.490 196 HG2 GLU 28 HG2 GLU 28 4.819 -2.987 -6.430 197 HG3 GLU 28 HG1 GLU 28 6.294 -3.823 -5.937 198 H HIS 29 HN HIS 29 5.212 -6.991 -2.989 199 HA HIS 29 HA HIS 29 6.764 -7.376 -1.421 200 HB2 HIS 29 HB2 HIS 29 7.775 -8.823 -3.180 201 HB3 HIS 29 HB1 HIS 29 8.765 -7.461 -3.692 202 HD1 HIS 29 HD1 HIS 29 8.156 -9.491 -0.537 203 HD2 HIS 29 HD2 HIS 29 11.165 -7.356 -2.443 204 HE1 HIS 29 HE1 HIS 29 10.194 -9.770 0.902 205 HE2 HIS 29 HE2 HIS 29 11.937 -8.292 -0.161 206 H LEU 30 HN LEU 30 6.030 -4.857 -1.446 207 HA LEU 30 HA LEU 30 8.361 -3.161 -1.712 208 HB2 LEU 30 HB2 LEU 30 5.667 -2.385 -0.613 209 HB3 LEU 30 HB1 LEU 30 6.953 -1.311 -1.121 210 HG LEU 30 HG LEU 30 5.102 -2.955 -2.823 211 HD11 LEU 30 HD11 LEU 30 5.912 -0.056 -2.904 212 HD12 LEU 30 HD12 LEU 30 4.421 -0.676 -2.193 213 HD13 LEU 30 HD13 LEU 30 4.710 -0.832 -3.931 214 HD21 LEU 30 HD21 LEU 30 7.712 -1.722 -3.679 215 HD22 LEU 30 HD22 LEU 30 6.460 -2.303 -4.775 216 HD23 LEU 30 HD23 LEU 30 7.290 -3.434 -3.706 217 H LEU 31 HN LEU 31 7.837 -1.384 0.489 218 HA LEU 31 HA LEU 31 9.452 -2.920 2.362 219 HB2 LEU 31 HB2 LEU 31 8.842 0.025 2.379 220 HB3 LEU 31 HB1 LEU 31 10.119 -0.793 3.259 221 HG LEU 31 HG LEU 31 9.891 -0.407 0.298 222 HD11 LEU 31 HD11 LEU 31 12.052 0.710 0.596 223 HD12 LEU 31 HD12 LEU 31 11.929 0.449 2.333 224 HD13 LEU 31 HD13 LEU 31 10.760 1.483 1.510 225 HD21 LEU 31 HD21 LEU 31 10.643 -2.645 0.614 226 HD22 LEU 31 HD22 LEU 31 11.816 -2.134 1.831 227 HD23 LEU 31 HD23 LEU 31 12.025 -1.653 0.145 228 H SER 32 HN SER 32 6.539 -0.861 2.546 229 HA SER 32 HA SER 32 6.117 -1.996 5.261 230 HB2 SER 32 HB2 SER 32 5.371 0.630 4.015 231 HB3 SER 32 HB1 SER 32 4.410 -0.018 5.332 232 HG SER 32 HG SER 32 6.480 1.422 5.629 233 H GLY 33 HN GLY 33 4.789 -1.203 2.232 234 HA2 GLY 33 HA2 GLY 33 3.471 -2.371 0.867 235 HA3 GLY 33 HA1 GLY 33 3.744 -3.755 1.906 236 H ARG 34 HN ARG 34 2.007 -0.744 2.788 237 HA ARG 34 HA ARG 34 -0.217 -2.523 3.395 238 HB2 ARG 34 HB2 ARG 34 -0.123 0.446 3.960 239 HB3 ARG 34 HB1 ARG 34 -1.086 -0.801 4.739 240 HG2 ARG 34 HG2 ARG 34 0.801 -1.699 5.876 241 HG3 ARG 34 HG1 ARG 34 1.900 -0.637 4.988 242 HD2 ARG 34 HD2 ARG 34 1.668 0.648 6.867 243 HD3 ARG 34 HD1 ARG 34 0.256 1.221 5.981 244 HE ARG 34 HE ARG 34 -0.788 -0.806 7.365 245 HH11 ARG 34 HH11 ARG 34 1.348 1.773 8.394 246 HH12 ARG 34 HH12 ARG 34 0.671 1.862 9.986 247 HH21 ARG 34 HH21 ARG 34 -1.673 -0.700 9.458 248 HH22 ARG 34 HH22 ARG 34 -1.043 0.449 10.596 249 H CYS 35 HN CYS 35 -0.723 -2.854 0.993 250 HA CYS 35 HA CYS 35 -1.979 -0.516 -0.246 251 HB2 CYS 35 HB2 CYS 35 -0.289 -2.040 -1.463 252 HB3 CYS 35 HB1 CYS 35 -1.648 -3.140 -1.650 253 H ARG 36 HN ARG 36 -4.049 -0.153 -0.143 254 HA ARG 36 HA ARG 36 -5.995 -2.028 -1.045 255 HB2 ARG 36 HB2 ARG 36 -7.141 -0.910 1.364 256 HB3 ARG 36 HB1 ARG 36 -7.162 -2.557 0.811 257 HG2 ARG 36 HG2 ARG 36 -5.693 -3.163 2.319 258 HG3 ARG 36 HG1 ARG 36 -4.612 -1.843 1.849 259 HD2 ARG 36 HD2 ARG 36 -6.943 -1.748 3.676 260 HD3 ARG 36 HD1 ARG 36 -5.278 -1.441 4.070 261 HE ARG 36 HE ARG 36 -7.064 0.493 3.208 262 HH11 ARG 36 HH11 ARG 36 -3.786 -0.483 2.388 263 HH12 ARG 36 HH12 ARG 36 -3.355 1.064 1.743 264 HH21 ARG 36 HH21 ARG 36 -6.492 2.497 2.321 265 HH22 ARG 36 HH22 ARG 36 -4.902 2.736 1.653 266 H ASP 37 HN ASP 37 -8.246 -0.973 -0.561 267 HA ASP 37 HA ASP 37 -8.156 1.947 -0.787 268 HB2 ASP 37 HB2 ASP 37 -8.526 0.997 -3.062 269 HB3 ASP 37 HB1 ASP 37 -9.898 0.082 -2.443 270 H ASP 38 HN ASP 38 -10.252 2.856 -0.108 271 HA ASP 38 HA ASP 38 -12.101 3.072 1.226 272 HB2 ASP 38 HB2 ASP 38 -12.937 0.913 0.341 273 HB3 ASP 38 HB1 ASP 38 -11.987 0.058 1.554 274 H PHE 39 HN PHE 39 -9.941 0.579 2.429 275 HA PHE 39 HA PHE 39 -10.000 1.579 5.146 276 HB2 PHE 39 HB2 PHE 39 -8.264 -0.524 3.856 277 HB3 PHE 39 HB1 PHE 39 -8.492 -0.292 5.575 278 HD1 PHE 39 HD1 PHE 39 -10.701 -0.765 6.601 279 HD2 PHE 39 HD2 PHE 39 -9.812 -1.787 2.563 280 HE1 PHE 39 HE1 PHE 39 -12.631 -2.287 6.565 281 HE2 PHE 39 HE2 PHE 39 -11.746 -3.307 2.524 282 HZ PHE 39 HZ PHE 39 -13.159 -3.560 4.524 283 H ARG 40 HN ARG 40 -7.665 1.965 6.164 284 HA ARG 40 HA ARG 40 -6.075 3.409 4.140 285 HB2 ARG 40 HB2 ARG 40 -6.685 4.316 6.958 286 HB3 ARG 40 HB1 ARG 40 -5.428 5.029 5.964 287 HG2 ARG 40 HG2 ARG 40 -7.217 6.487 5.731 288 HG3 ARG 40 HG1 ARG 40 -7.301 5.498 4.274 289 HD2 ARG 40 HD2 ARG 40 -9.052 4.144 5.259 290 HD3 ARG 40 HD1 ARG 40 -8.922 5.037 6.774 291 HE ARG 40 HE ARG 40 -9.468 6.803 4.628 292 HH11 ARG 40 HH11 ARG 40 -10.996 4.397 6.662 293 HH12 ARG 40 HH12 ARG 40 -12.572 5.108 6.529 294 HH21 ARG 40 HH21 ARG 40 -11.536 7.726 4.436 295 HH22 ARG 40 HH22 ARG 40 -12.883 7.001 5.258 296 H CYS 41 HN CYS 41 -4.313 2.353 3.882 297 HA CYS 41 HA CYS 41 -2.620 1.676 6.157 298 HB2 CYS 41 HB2 CYS 41 -4.114 -0.160 4.738 299 HB3 CYS 41 HB1 CYS 41 -2.541 -0.287 3.981 300 H TRP 42 HN TRP 42 -0.493 2.483 5.786 301 HA TRP 42 HA TRP 42 0.180 3.739 3.263 302 HB2 TRP 42 HB2 TRP 42 1.806 3.370 5.778 303 HB3 TRP 42 HB1 TRP 42 2.282 4.368 4.414 304 HD1 TRP 42 HD1 TRP 42 -0.261 4.256 7.286 305 HE1 TRP 42 HE1 TRP 42 -1.135 6.642 7.681 306 HE3 TRP 42 HE3 TRP 42 1.979 6.611 3.345 307 HZ2 TRP 42 HZ2 TRP 42 -0.915 9.168 6.469 308 HZ3 TRP 42 HZ3 TRP 42 1.603 9.007 3.033 309 HH2 TRP 42 HH2 TRP 42 0.179 10.271 4.560 310 H CYS 43 HN CYS 43 1.148 2.645 1.505 311 HA CYS 43 HA CYS 43 3.013 0.474 2.218 312 HB2 CYS 43 HB2 CYS 43 1.318 -0.067 0.460 313 HB3 CYS 43 HB1 CYS 43 2.068 1.148 -0.581 314 H THR 44 HN THR 44 5.069 0.845 2.305 315 HA THR 44 HA THR 44 6.188 3.284 1.146 316 HB THR 44 HB THR 44 7.646 1.465 3.045 317 HG1 THR 44 HG1 THR 44 6.222 3.585 4.146 318 HG21 THR 44 HG21 THR 44 7.811 4.309 2.200 319 HG22 THR 44 HG22 THR 44 9.087 3.103 2.382 320 HG23 THR 44 HG23 THR 44 8.365 3.847 3.810 321 H ASN 45 HN ASN 45 7.980 3.249 -0.221 322 HA ASN 45 HA ASN 45 9.123 0.672 -1.006 323 HB2 ASN 45 HB2 ASN 45 7.114 1.303 -2.486 324 HB3 ASN 45 HB1 ASN 45 8.124 2.609 -3.088 325 HD21 ASN 45 HD21 ASN 45 9.160 -0.649 -2.213 326 HD22 ASN 45 HD22 ASN 45 9.645 -1.111 -3.809 327 H ARG 46 HN ARG 46 10.888 1.242 -2.810 328 HA ARG 46 HA ARG 46 12.461 3.462 -1.734 329 HB2 ARG 46 HB2 ARG 46 13.235 1.247 -3.640 330 HB3 ARG 46 HB1 ARG 46 14.322 2.493 -3.044 331 HG2 ARG 46 HG2 ARG 46 14.764 1.309 -1.238 332 HG3 ARG 46 HG1 ARG 46 13.050 1.206 -0.841 333 HD2 ARG 46 HD2 ARG 46 12.792 -0.720 -2.274 334 HD3 ARG 46 HD1 ARG 46 14.471 -0.585 -2.798 335 HE ARG 46 HE ARG 46 14.397 -0.830 -0.002 336 HH11 ARG 46 HH11 ARG 46 13.779 -2.719 -2.874 337 HH12 ARG 46 HH12 ARG 46 14.174 -4.229 -2.121 338 HH21 ARG 46 HH21 ARG 46 14.931 -2.806 0.997 339 HH22 ARG 46 HH22 ARG 46 14.839 -4.279 0.082 340 H CYS 47 HN CYS 47 12.639 5.317 -2.783 341 HA CYS 47 HA CYS 47 12.192 5.373 -5.684 342 HB2 CYS 47 HB2 CYS 47 11.071 7.297 -3.644 343 HB3 CYS 47 HB1 CYS 47 11.015 7.557 -5.384 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 13.484 5.234 6.213 2 H2 LYS 1 HT2 LYS 1 12.256 5.272 7.373 3 H3 LYS 1 HT3 LYS 1 12.548 6.626 6.405 4 HA LYS 1 HA LYS 1 11.578 4.002 5.452 5 HB2 LYS 1 HB2 LYS 1 10.209 6.614 6.018 6 HB3 LYS 1 HB1 LYS 1 9.570 5.516 4.807 7 HG2 LYS 1 HG2 LYS 1 9.371 3.770 6.523 8 HG3 LYS 1 HG1 LYS 1 9.963 4.915 7.730 9 HD2 LYS 1 HD2 LYS 1 8.067 6.361 7.357 10 HD3 LYS 1 HD1 LYS 1 7.509 5.344 6.028 11 HE2 LYS 1 HE2 LYS 1 7.114 3.511 7.567 12 HE3 LYS 1 HE1 LYS 1 7.742 4.473 8.905 13 HZ1 LYS 1 HZ1 LYS 1 5.922 6.020 8.608 14 HZ2 LYS 1 HZ2 LYS 1 5.321 4.460 8.847 15 HZ3 LYS 1 HZ3 LYS 1 5.333 5.131 7.291 16 H THR 2 HN THR 2 10.903 4.017 3.262 17 HA THR 2 HA THR 2 12.170 6.026 1.552 18 HB THR 2 HB THR 2 11.778 4.535 -0.315 19 HG1 THR 2 HG1 THR 2 9.971 3.433 0.130 20 HG21 THR 2 HG21 THR 2 13.261 2.707 0.298 21 HG22 THR 2 HG22 THR 2 12.988 3.044 2.009 22 HG23 THR 2 HG23 THR 2 13.826 4.224 1.001 23 H CYS 3 HN CYS 3 10.584 6.110 -0.576 24 HA CYS 3 HA CYS 3 8.656 7.970 0.162 25 HB2 CYS 3 HB2 CYS 3 8.479 6.281 -2.333 26 HB3 CYS 3 HB1 CYS 3 7.977 7.956 -2.113 27 H GLU 4 HN GLU 4 6.871 7.654 1.307 28 HA GLU 4 HA GLU 4 5.426 5.112 0.989 29 HB2 GLU 4 HB2 GLU 4 6.606 5.132 3.132 30 HB3 GLU 4 HB1 GLU 4 5.880 6.680 3.532 31 HG2 GLU 4 HG2 GLU 4 3.641 5.555 3.428 32 HG3 GLU 4 HG1 GLU 4 4.492 4.014 3.290 33 H ASN 5 HN ASN 5 3.230 5.207 0.957 34 HA ASN 5 HA ASN 5 1.959 7.781 1.447 35 HB2 ASN 5 HB2 ASN 5 0.689 7.696 -0.624 36 HB3 ASN 5 HB1 ASN 5 2.407 7.722 -0.967 37 HD21 ASN 5 HD21 ASN 5 -0.499 5.868 -1.008 38 HD22 ASN 5 HD22 ASN 5 0.081 4.584 -2.018 39 H LEU 6 HN LEU 6 -0.196 7.648 1.959 40 HA LEU 6 HA LEU 6 -1.029 5.030 2.902 41 HB2 LEU 6 HB2 LEU 6 -1.283 7.462 4.041 42 HB3 LEU 6 HB1 LEU 6 -2.828 7.351 3.220 43 HG LEU 6 HG LEU 6 -1.745 5.493 5.354 44 HD11 LEU 6 HD11 LEU 6 -3.726 6.187 6.569 45 HD12 LEU 6 HD12 LEU 6 -4.225 7.209 5.226 46 HD13 LEU 6 HD13 LEU 6 -2.759 7.591 6.124 47 HD21 LEU 6 HD21 LEU 6 -3.981 4.375 5.094 48 HD22 LEU 6 HD22 LEU 6 -2.774 4.039 3.853 49 HD23 LEU 6 HD23 LEU 6 -4.096 5.171 3.522 50 H SER 7 HN SER 7 -2.067 3.781 1.593 51 HA SER 7 HA SER 7 -3.169 4.794 -0.850 52 HB2 SER 7 HB2 SER 7 -3.597 2.353 -1.295 53 HB3 SER 7 HB1 SER 7 -1.910 2.768 -1.007 54 HG SER 7 HG SER 7 -2.214 2.037 1.168 55 H GLY 8 HN GLY 8 -5.190 5.283 -1.215 56 HA2 GLY 8 HA2 GLY 8 -7.418 3.835 -0.351 57 HA3 GLY 8 HA1 GLY 8 -7.199 5.188 0.749 58 H THR 9 HN THR 9 -6.236 7.073 -1.025 59 HA THR 9 HA THR 9 -7.677 7.469 -3.357 60 HB THR 9 HB THR 9 -9.723 7.451 -2.037 61 HG1 THR 9 HG1 THR 9 -10.001 8.898 -3.616 62 HG21 THR 9 HG21 THR 9 -8.843 8.051 0.142 63 HG22 THR 9 HG22 THR 9 -10.138 9.163 -0.306 64 HG23 THR 9 HG23 THR 9 -8.452 9.671 -0.433 65 H PHE 10 HN PHE 10 -6.461 8.968 -0.416 66 HA PHE 10 HA PHE 10 -5.458 11.250 -1.857 67 HB2 PHE 10 HB2 PHE 10 -4.286 11.492 0.549 68 HB3 PHE 10 HB1 PHE 10 -5.931 12.024 0.240 69 HD1 PHE 10 HD1 PHE 10 -7.756 11.034 1.322 70 HD2 PHE 10 HD2 PHE 10 -3.896 9.289 1.694 71 HE1 PHE 10 HE1 PHE 10 -8.594 9.576 3.117 72 HE2 PHE 10 HE2 PHE 10 -4.730 7.823 3.479 73 HZ PHE 10 HZ PHE 10 -7.079 7.965 4.198 74 H LYS 11 HN LYS 11 -3.373 11.576 -2.402 75 HA LYS 11 HA LYS 11 -1.387 10.981 -3.273 76 HB2 LYS 11 HB2 LYS 11 0.308 10.461 -1.689 77 HB3 LYS 11 HB1 LYS 11 -0.873 11.489 -0.900 78 HG2 LYS 11 HG2 LYS 11 -1.269 8.595 -0.535 79 HG3 LYS 11 HG1 LYS 11 0.167 9.287 0.208 80 HD2 LYS 11 HD2 LYS 11 -2.556 10.453 0.570 81 HD3 LYS 11 HD1 LYS 11 -1.901 9.217 1.640 82 HE2 LYS 11 HE2 LYS 11 -0.087 10.664 2.273 83 HE3 LYS 11 HE1 LYS 11 -0.557 11.857 1.064 84 HZ1 LYS 11 HZ1 LYS 11 -2.236 11.069 3.377 85 HZ2 LYS 11 HZ2 LYS 11 -2.554 12.310 2.274 86 HZ3 LYS 11 HZ3 LYS 11 -1.248 12.437 3.337 87 H GLY 12 HN GLY 12 -3.479 9.023 -3.760 88 HA2 GLY 12 HA2 GLY 12 -3.141 7.270 -5.352 89 HA3 GLY 12 HA1 GLY 12 -1.672 6.830 -4.504 90 HA PRO 13 HA PRO 13 -5.245 4.359 -2.618 91 HB2 PRO 13 HB2 PRO 13 -7.010 3.475 -4.393 92 HB3 PRO 13 HB1 PRO 13 -7.139 5.115 -3.744 93 HG2 PRO 13 HG2 PRO 13 -6.157 4.205 -6.405 94 HG3 PRO 13 HG1 PRO 13 -7.063 5.666 -5.980 95 HD2 PRO 13 HD2 PRO 13 -4.273 5.466 -6.360 96 HD3 PRO 13 HD1 PRO 13 -5.149 6.842 -5.666 97 H CYS 14 HN CYS 14 -5.918 1.898 -3.136 98 HA CYS 14 HA CYS 14 -3.982 0.685 -4.942 99 HB2 CYS 14 HB2 CYS 14 -3.071 0.917 -2.524 100 HB3 CYS 14 HB1 CYS 14 -4.157 -0.419 -2.158 101 H ILE 15 HN ILE 15 -5.616 -1.213 -2.445 102 HA ILE 15 HA ILE 15 -7.460 -2.187 -4.519 103 HB ILE 15 HB ILE 15 -7.125 -4.496 -3.798 104 HG12 ILE 15 HG12 ILE 15 -4.819 -3.470 -2.138 105 HG13 ILE 15 HG11 ILE 15 -6.388 -3.900 -1.466 106 HG21 ILE 15 HG21 ILE 15 -4.559 -3.117 -4.574 107 HG22 ILE 15 HG22 ILE 15 -5.826 -3.659 -5.674 108 HG23 ILE 15 HG23 ILE 15 -4.895 -4.839 -4.752 109 HD11 ILE 15 HD11 ILE 15 -4.814 -5.701 -1.176 110 HD12 ILE 15 HD12 ILE 15 -4.507 -5.742 -2.912 111 HD13 ILE 15 HD13 ILE 15 -6.096 -6.184 -2.288 112 HA PRO 16 HA PRO 16 -10.393 -1.579 -1.241 113 HB2 PRO 16 HB2 PRO 16 -12.383 -3.015 -2.784 114 HB3 PRO 16 HB1 PRO 16 -12.256 -1.282 -2.480 115 HG2 PRO 16 HG2 PRO 16 -11.859 -2.401 -4.931 116 HG3 PRO 16 HG1 PRO 16 -11.079 -0.899 -4.408 117 HD2 PRO 16 HD2 PRO 16 -9.968 -3.681 -4.498 118 HD3 PRO 16 HD1 PRO 16 -9.203 -2.143 -4.950 119 H ASP 17 HN ASP 17 -8.841 -4.292 -1.565 120 HA ASP 17 HA ASP 17 -10.798 -6.183 -0.568 121 HB2 ASP 17 HB2 ASP 17 -7.844 -6.540 -1.074 122 HB3 ASP 17 HB1 ASP 17 -9.003 -7.827 -0.764 123 H GLY 18 HN GLY 18 -8.300 -4.145 0.722 124 HA2 GLY 18 HA2 GLY 18 -8.251 -3.406 2.927 125 HA3 GLY 18 HA1 GLY 18 -9.339 -4.702 3.374 126 H ASN 19 HN ASN 19 -7.065 -6.234 1.776 127 HA ASN 19 HA ASN 19 -5.582 -6.966 4.171 128 HB2 ASN 19 HB2 ASN 19 -4.703 -8.737 2.426 129 HB3 ASN 19 HB1 ASN 19 -6.309 -8.906 3.125 130 HD21 ASN 19 HD21 ASN 19 -5.491 -6.493 0.747 131 HD22 ASN 19 HD22 ASN 19 -6.487 -7.117 -0.508 132 H CYS 20 HN CYS 20 -4.578 -4.768 3.968 133 HA CYS 20 HA CYS 20 -3.223 -3.970 1.721 134 HB2 CYS 20 HB2 CYS 20 -2.219 -2.259 3.173 135 HB3 CYS 20 HB1 CYS 20 -3.955 -2.378 3.324 136 H ASN 21 HN ASN 21 -1.816 -5.258 4.723 137 HA ASN 21 HA ASN 21 0.826 -4.938 3.940 138 HB2 ASN 21 HB2 ASN 21 -0.471 -6.767 5.915 139 HB3 ASN 21 HB1 ASN 21 1.264 -6.808 5.654 140 HD21 ASN 21 HD21 ASN 21 1.436 -3.965 5.134 141 HD22 ASN 21 HD22 ASN 21 1.243 -3.200 6.666 142 H LYS 22 HN LYS 22 -1.112 -7.922 3.775 143 HA LYS 22 HA LYS 22 0.981 -9.475 2.744 144 HB2 LYS 22 HB2 LYS 22 -0.643 -11.158 2.284 145 HB3 LYS 22 HB1 LYS 22 -1.107 -10.365 3.779 146 HG2 LYS 22 HG2 LYS 22 -2.742 -9.015 2.499 147 HG3 LYS 22 HG1 LYS 22 -2.303 -9.921 1.061 148 HD2 LYS 22 HD2 LYS 22 -4.244 -10.949 1.850 149 HD3 LYS 22 HD1 LYS 22 -2.934 -12.006 2.357 150 HE2 LYS 22 HE2 LYS 22 -4.252 -9.947 4.123 151 HE3 LYS 22 HE1 LYS 22 -4.698 -11.648 4.084 152 HZ1 LYS 22 HZ1 LYS 22 -2.321 -12.114 4.693 153 HZ2 LYS 22 HZ2 LYS 22 -3.252 -11.375 5.893 154 HZ3 LYS 22 HZ3 LYS 22 -2.149 -10.461 5.002 155 H HIS 23 HN HIS 23 -1.326 -7.368 1.100 156 HA HIS 23 HA HIS 23 -0.926 -8.524 -1.459 157 HB2 HIS 23 HB2 HIS 23 -2.858 -7.025 -0.878 158 HB3 HIS 23 HB1 HIS 23 -1.740 -5.664 -0.932 159 HD1 HIS 23 HD1 HIS 23 -3.362 -8.236 -3.162 160 HD2 HIS 23 HD2 HIS 23 -1.075 -4.774 -3.483 161 HE1 HIS 23 HE1 HIS 23 -3.398 -7.618 -5.599 162 HE2 HIS 23 HE2 HIS 23 -1.875 -5.625 -5.791 163 H CYS 24 HN CYS 24 0.259 -5.363 -0.248 164 HA CYS 24 HA CYS 24 1.985 -4.817 -2.351 165 HB2 CYS 24 HB2 CYS 24 1.935 -4.049 0.513 166 HB3 CYS 24 HB1 CYS 24 3.461 -3.869 -0.331 167 H ARG 25 HN ARG 25 2.406 -6.981 0.354 168 HA ARG 25 HA ARG 25 5.270 -7.067 -0.009 169 HB2 ARG 25 HB2 ARG 25 3.520 -8.486 1.979 170 HB3 ARG 25 HB1 ARG 25 5.267 -8.397 2.024 171 HG2 ARG 25 HG2 ARG 25 3.379 -6.088 2.225 172 HG3 ARG 25 HG1 ARG 25 4.276 -6.812 3.564 173 HD2 ARG 25 HD2 ARG 25 5.652 -5.740 1.139 174 HD3 ARG 25 HD1 ARG 25 5.238 -4.671 2.472 175 HE ARG 25 HE ARG 25 7.312 -6.694 2.381 176 HH11 ARG 25 HH11 ARG 25 5.271 -4.808 4.512 177 HH12 ARG 25 HH12 ARG 25 6.419 -4.794 5.805 178 HH21 ARG 25 HH21 ARG 25 8.814 -6.704 4.095 179 HH22 ARG 25 HH22 ARG 25 8.435 -5.870 5.569 180 H ASN 26 HN ASN 26 2.517 -9.146 -0.712 181 HA ASN 26 HA ASN 26 4.307 -11.427 -1.047 182 HB2 ASN 26 HB2 ASN 26 1.353 -11.078 -1.127 183 HB3 ASN 26 HB1 ASN 26 2.046 -12.440 -1.997 184 HD21 ASN 26 HD21 ASN 26 1.448 -11.023 1.079 185 HD22 ASN 26 HD22 ASN 26 1.891 -12.391 2.042 186 H ASN 27 HN ASN 27 2.245 -9.458 -3.138 187 HA ASN 27 HA ASN 27 3.246 -10.879 -5.460 188 HB2 ASN 27 HB2 ASN 27 1.662 -9.173 -6.648 189 HB3 ASN 27 HB1 ASN 27 0.981 -10.512 -5.724 190 HD21 ASN 27 HD21 ASN 27 0.064 -10.128 -3.732 191 HD22 ASN 27 HD22 ASN 27 -0.339 -8.541 -3.176 192 H GLU 28 HN GLU 28 3.523 -7.613 -4.067 193 HA GLU 28 HA GLU 28 5.342 -6.970 -6.291 194 HB2 GLU 28 HB2 GLU 28 3.265 -5.529 -5.650 195 HB3 GLU 28 HB1 GLU 28 4.297 -4.929 -4.360 196 HG2 GLU 28 HG2 GLU 28 4.352 -3.463 -6.292 197 HG3 GLU 28 HG1 GLU 28 5.932 -4.187 -5.991 198 H HIS 29 HN HIS 29 5.187 -7.433 -2.881 199 HA HIS 29 HA HIS 29 6.717 -7.550 -1.245 200 HB2 HIS 29 HB2 HIS 29 7.882 -8.947 -3.077 201 HB3 HIS 29 HB1 HIS 29 8.916 -7.539 -3.301 202 HD1 HIS 29 HD1 HIS 29 10.113 -6.721 -0.927 203 HD2 HIS 29 HD2 HIS 29 8.780 -10.649 -1.180 204 HE1 HIS 29 HE1 HIS 29 11.296 -7.957 0.907 205 HE2 HIS 29 HE2 HIS 29 10.670 -10.371 0.560 206 H LEU 30 HN LEU 30 5.823 -5.089 -1.431 207 HA LEU 30 HA LEU 30 7.998 -3.227 -1.802 208 HB2 LEU 30 HB2 LEU 30 5.311 -2.653 -0.578 209 HB3 LEU 30 HB1 LEU 30 6.477 -1.485 -1.158 210 HG LEU 30 HG LEU 30 4.672 -3.280 -2.742 211 HD11 LEU 30 HD11 LEU 30 4.108 -1.204 -3.864 212 HD12 LEU 30 HD12 LEU 30 5.306 -0.343 -2.898 213 HD13 LEU 30 HD13 LEU 30 3.887 -1.043 -2.117 214 HD21 LEU 30 HD21 LEU 30 5.885 -2.629 -4.768 215 HD22 LEU 30 HD22 LEU 30 6.872 -3.627 -3.700 216 HD23 LEU 30 HD23 LEU 30 7.134 -1.884 -3.775 217 H LEU 31 HN LEU 31 7.650 -1.425 0.332 218 HA LEU 31 HA LEU 31 9.299 -2.982 2.163 219 HB2 LEU 31 HB2 LEU 31 8.930 -0.011 2.179 220 HB3 LEU 31 HB1 LEU 31 10.245 -0.943 2.874 221 HG LEU 31 HG LEU 31 9.648 -0.504 -0.033 222 HD11 LEU 31 HD11 LEU 31 12.051 0.162 1.659 223 HD12 LEU 31 HD12 LEU 31 10.824 1.306 1.114 224 HD13 LEU 31 HD13 LEU 31 11.866 0.501 -0.062 225 HD21 LEU 31 HD21 LEU 31 10.290 -2.797 0.196 226 HD22 LEU 31 HD22 LEU 31 11.655 -2.363 1.229 227 HD23 LEU 31 HD23 LEU 31 11.651 -1.894 -0.473 228 H SER 32 HN SER 32 6.625 -0.596 2.554 229 HA SER 32 HA SER 32 6.258 -1.683 5.273 230 HB2 SER 32 HB2 SER 32 6.071 0.864 4.616 231 HB3 SER 32 HB1 SER 32 4.453 0.404 4.110 232 HG SER 32 HG SER 32 4.341 1.056 6.231 233 H GLY 33 HN GLY 33 4.911 -1.674 2.154 234 HA2 GLY 33 HA2 GLY 33 3.386 -2.935 1.135 235 HA3 GLY 33 HA1 GLY 33 3.612 -4.104 2.402 236 H ARG 34 HN ARG 34 2.305 -0.959 3.274 237 HA ARG 34 HA ARG 34 -0.164 -2.294 3.967 238 HB2 ARG 34 HB2 ARG 34 1.307 0.104 4.600 239 HB3 ARG 34 HB1 ARG 34 -0.387 0.490 4.398 240 HG2 ARG 34 HG2 ARG 34 -0.953 -1.091 6.156 241 HG3 ARG 34 HG1 ARG 34 0.732 -1.608 6.265 242 HD2 ARG 34 HD2 ARG 34 1.397 0.633 6.951 243 HD3 ARG 34 HD1 ARG 34 -0.272 1.204 6.797 244 HE ARG 34 HE ARG 34 -0.397 -0.893 8.555 245 HH11 ARG 34 HH11 ARG 34 1.456 2.079 8.441 246 HH12 ARG 34 HH12 ARG 34 1.462 2.285 10.163 247 HH21 ARG 34 HH21 ARG 34 -0.355 -0.634 10.825 248 HH22 ARG 34 HH22 ARG 34 0.449 0.741 11.514 249 H CYS 35 HN CYS 35 -0.714 -2.848 1.622 250 HA CYS 35 HA CYS 35 -1.711 -0.590 0.062 251 HB2 CYS 35 HB2 CYS 35 -0.470 -1.845 -1.384 252 HB3 CYS 35 HB1 CYS 35 -0.920 -3.360 -0.613 253 H ARG 36 HN ARG 36 -3.793 0.078 0.397 254 HA ARG 36 HA ARG 36 -5.716 -1.719 -0.702 255 HB2 ARG 36 HB2 ARG 36 -7.392 -1.405 1.216 256 HB3 ARG 36 HB1 ARG 36 -6.160 -2.636 1.367 257 HG2 ARG 36 HG2 ARG 36 -4.842 -0.872 2.654 258 HG3 ARG 36 HG1 ARG 36 -6.374 -0.013 2.766 259 HD2 ARG 36 HD2 ARG 36 -7.370 -2.104 3.703 260 HD3 ARG 36 HD1 ARG 36 -5.765 -2.800 3.775 261 HE ARG 36 HE ARG 36 -5.748 -0.313 5.088 262 HH11 ARG 36 HH11 ARG 36 -7.015 -3.556 5.562 263 HH12 ARG 36 HH12 ARG 36 -7.185 -3.355 7.278 264 HH21 ARG 36 HH21 ARG 36 -5.976 -0.078 7.339 265 HH22 ARG 36 HH22 ARG 36 -6.595 -1.400 8.278 266 H ASP 37 HN ASP 37 -8.056 -0.584 -0.449 267 HA ASP 37 HA ASP 37 -7.594 2.156 -1.446 268 HB2 ASP 37 HB2 ASP 37 -7.971 0.512 -3.260 269 HB3 ASP 37 HB1 ASP 37 -9.518 0.091 -2.541 270 H ASP 38 HN ASP 38 -10.530 0.210 -0.958 271 HA ASP 38 HA ASP 38 -12.060 2.320 0.090 272 HB2 ASP 38 HB2 ASP 38 -13.012 0.245 -0.908 273 HB3 ASP 38 HB1 ASP 38 -12.490 -0.647 0.517 274 H PHE 39 HN PHE 39 -9.892 0.062 1.532 275 HA PHE 39 HA PHE 39 -10.265 1.392 4.131 276 HB2 PHE 39 HB2 PHE 39 -8.736 -1.143 3.651 277 HB3 PHE 39 HB1 PHE 39 -9.356 -0.542 5.176 278 HD1 PHE 39 HD1 PHE 39 -9.939 -2.706 2.385 279 HD2 PHE 39 HD2 PHE 39 -11.894 -0.460 5.448 280 HE1 PHE 39 HE1 PHE 39 -11.976 -4.058 2.097 281 HE2 PHE 39 HE2 PHE 39 -13.919 -1.823 5.160 282 HZ PHE 39 HZ PHE 39 -13.961 -3.623 3.483 283 H ARG 40 HN ARG 40 -7.975 1.729 5.237 284 HA ARG 40 HA ARG 40 -6.240 2.643 3.039 285 HB2 ARG 40 HB2 ARG 40 -7.188 4.211 5.431 286 HB3 ARG 40 HB1 ARG 40 -5.800 4.704 4.473 287 HG2 ARG 40 HG2 ARG 40 -7.520 5.938 3.549 288 HG3 ARG 40 HG1 ARG 40 -7.412 4.550 2.469 289 HD2 ARG 40 HD2 ARG 40 -9.204 3.546 4.110 290 HD3 ARG 40 HD1 ARG 40 -9.507 5.244 4.469 291 HE ARG 40 HE ARG 40 -9.547 4.330 1.678 292 HH11 ARG 40 HH11 ARG 40 -11.246 5.609 4.463 293 HH12 ARG 40 HH12 ARG 40 -12.689 5.979 3.577 294 HH21 ARG 40 HH21 ARG 40 -11.459 4.798 0.507 295 HH22 ARG 40 HH22 ARG 40 -12.817 5.504 1.325 296 H CYS 41 HN CYS 41 -4.269 1.977 3.130 297 HA CYS 41 HA CYS 41 -2.917 1.645 5.711 298 HB2 CYS 41 HB2 CYS 41 -3.482 -0.362 3.672 299 HB3 CYS 41 HB1 CYS 41 -1.814 -0.347 4.167 300 H TRP 42 HN TRP 42 -0.671 2.243 5.726 301 HA TRP 42 HA TRP 42 0.325 3.863 3.531 302 HB2 TRP 42 HB2 TRP 42 1.537 3.088 6.188 303 HB3 TRP 42 HB1 TRP 42 2.317 4.162 5.039 304 HD1 TRP 42 HD1 TRP 42 -0.475 4.053 7.627 305 HE1 TRP 42 HE1 TRP 42 -1.252 6.463 8.106 306 HE3 TRP 42 HE3 TRP 42 2.134 6.481 3.974 307 HZ2 TRP 42 HZ2 TRP 42 -0.813 9.055 7.048 308 HZ3 TRP 42 HZ3 TRP 42 1.906 8.907 3.766 309 HH2 TRP 42 HH2 TRP 42 0.466 10.175 5.278 310 H CYS 43 HN CYS 43 1.089 2.597 1.718 311 HA CYS 43 HA CYS 43 2.995 0.470 2.424 312 HB2 CYS 43 HB2 CYS 43 1.184 -0.071 0.770 313 HB3 CYS 43 HB1 CYS 43 1.955 1.043 -0.359 314 H THR 44 HN THR 44 5.056 0.799 2.364 315 HA THR 44 HA THR 44 6.135 3.266 1.246 316 HB THR 44 HB THR 44 7.605 1.207 2.894 317 HG1 THR 44 HG1 THR 44 5.989 3.383 3.723 318 HG21 THR 44 HG21 THR 44 8.099 4.131 2.353 319 HG22 THR 44 HG22 THR 44 9.055 2.771 1.770 320 HG23 THR 44 HG23 THR 44 9.016 3.146 3.492 321 H ASN 45 HN ASN 45 7.486 3.332 -0.456 322 HA ASN 45 HA ASN 45 9.011 1.008 -1.285 323 HB2 ASN 45 HB2 ASN 45 6.815 0.763 -2.446 324 HB3 ASN 45 HB1 ASN 45 7.064 2.333 -3.194 325 HD21 ASN 45 HD21 ASN 45 8.307 -0.936 -2.964 326 HD22 ASN 45 HD22 ASN 45 9.078 -0.948 -4.513 327 H ARG 46 HN ARG 46 10.267 1.802 -3.460 328 HA ARG 46 HA ARG 46 11.434 4.365 -2.651 329 HB2 ARG 46 HB2 ARG 46 12.580 2.519 -4.735 330 HB3 ARG 46 HB1 ARG 46 13.401 3.762 -3.814 331 HG2 ARG 46 HG2 ARG 46 14.190 1.954 -2.725 332 HG3 ARG 46 HG1 ARG 46 12.706 2.184 -1.797 333 HD2 ARG 46 HD2 ARG 46 11.568 0.548 -3.167 334 HD3 ARG 46 HD1 ARG 46 12.998 0.356 -4.176 335 HE ARG 46 HE ARG 46 13.526 -0.185 -1.417 336 HH11 ARG 46 HH11 ARG 46 12.228 -1.561 -4.368 337 HH12 ARG 46 HH12 ARG 46 12.585 -3.196 -3.913 338 HH21 ARG 46 HH21 ARG 46 14.009 -2.330 -0.826 339 HH22 ARG 46 HH22 ARG 46 13.612 -3.632 -1.898 340 H CYS 47 HN CYS 47 10.864 6.136 -3.752 341 HA CYS 47 HA CYS 47 9.699 5.789 -6.401 342 HB2 CYS 47 HB2 CYS 47 8.912 8.105 -6.189 343 HB3 CYS 47 HB1 CYS 47 8.382 7.119 -4.836 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 13.407 6.172 6.053 2 H2 LYS 1 HT2 LYS 1 14.090 4.724 5.517 3 H3 LYS 1 HT3 LYS 1 13.179 4.751 6.940 4 HA LYS 1 HA LYS 1 11.941 3.788 5.118 5 HB2 LYS 1 HB2 LYS 1 10.655 4.849 6.822 6 HB3 LYS 1 HB1 LYS 1 10.988 6.449 6.182 7 HG2 LYS 1 HG2 LYS 1 9.681 5.820 4.155 8 HG3 LYS 1 HG1 LYS 1 9.250 4.317 4.970 9 HD2 LYS 1 HD2 LYS 1 8.671 7.077 6.040 10 HD3 LYS 1 HD1 LYS 1 7.514 6.079 5.159 11 HE2 LYS 1 HE2 LYS 1 8.860 5.280 7.736 12 HE3 LYS 1 HE1 LYS 1 7.250 5.986 7.624 13 HZ1 LYS 1 HZ1 LYS 1 7.251 3.541 7.797 14 HZ2 LYS 1 HZ2 LYS 1 8.049 3.447 6.311 15 HZ3 LYS 1 HZ3 LYS 1 6.487 4.099 6.390 16 H THR 2 HN THR 2 11.145 3.895 3.094 17 HA THR 2 HA THR 2 12.291 5.928 1.326 18 HB THR 2 HB THR 2 11.922 4.384 -0.502 19 HG1 THR 2 HG1 THR 2 10.149 3.234 0.000 20 HG21 THR 2 HG21 THR 2 13.194 2.998 1.852 21 HG22 THR 2 HG22 THR 2 13.991 4.160 0.791 22 HG23 THR 2 HG23 THR 2 13.457 2.605 0.153 23 H CYS 3 HN CYS 3 10.685 5.910 -0.777 24 HA CYS 3 HA CYS 3 8.750 7.765 -0.124 25 HB2 CYS 3 HB2 CYS 3 8.549 5.889 -2.481 26 HB3 CYS 3 HB1 CYS 3 7.952 7.542 -2.365 27 H GLU 4 HN GLU 4 7.056 7.522 1.120 28 HA GLU 4 HA GLU 4 5.478 5.050 0.936 29 HB2 GLU 4 HB2 GLU 4 6.654 5.049 3.053 30 HB3 GLU 4 HB1 GLU 4 6.138 6.703 3.378 31 HG2 GLU 4 HG2 GLU 4 3.768 5.886 3.393 32 HG3 GLU 4 HG1 GLU 4 4.396 4.240 3.300 33 H ASN 5 HN ASN 5 3.361 5.310 0.611 34 HA ASN 5 HA ASN 5 2.165 7.873 1.346 35 HB2 ASN 5 HB2 ASN 5 0.932 8.070 -0.705 36 HB3 ASN 5 HB1 ASN 5 2.631 7.912 -1.111 37 HD21 ASN 5 HD21 ASN 5 -0.455 6.319 -1.042 38 HD22 ASN 5 HD22 ASN 5 -0.068 5.076 -2.185 39 H LEU 6 HN LEU 6 -0.087 7.762 1.663 40 HA LEU 6 HA LEU 6 -0.968 5.137 2.540 41 HB2 LEU 6 HB2 LEU 6 -1.329 7.564 3.646 42 HB3 LEU 6 HB1 LEU 6 -2.784 7.477 2.674 43 HG LEU 6 HG LEU 6 -1.952 5.573 4.881 44 HD11 LEU 6 HD11 LEU 6 -2.914 7.692 5.633 45 HD12 LEU 6 HD12 LEU 6 -4.009 6.345 5.943 46 HD13 LEU 6 HD13 LEU 6 -4.315 7.437 4.592 47 HD21 LEU 6 HD21 LEU 6 -2.921 4.164 3.323 48 HD22 LEU 6 HD22 LEU 6 -4.113 5.375 2.817 49 HD23 LEU 6 HD23 LEU 6 -4.253 4.602 4.395 50 H SER 7 HN SER 7 -2.280 3.897 1.380 51 HA SER 7 HA SER 7 -2.984 4.862 -1.266 52 HB2 SER 7 HB2 SER 7 -3.401 2.403 -1.654 53 HB3 SER 7 HB1 SER 7 -1.741 2.834 -1.269 54 HG SER 7 HG SER 7 -2.025 2.049 0.791 55 H GLY 8 HN GLY 8 -5.039 4.716 -2.143 56 HA2 GLY 8 HA2 GLY 8 -7.245 3.670 -2.055 57 HA3 GLY 8 HA1 GLY 8 -7.184 3.857 -0.308 58 H THR 9 HN THR 9 -8.427 5.383 0.422 59 HA THR 9 HA THR 9 -9.547 7.440 -1.173 60 HB THR 9 HB THR 9 -10.563 6.548 0.956 61 HG1 THR 9 HG1 THR 9 -10.228 9.286 0.390 62 HG21 THR 9 HG21 THR 9 -9.808 7.482 3.088 63 HG22 THR 9 HG22 THR 9 -8.488 8.313 2.261 64 HG23 THR 9 HG23 THR 9 -8.519 6.551 2.324 65 H PHE 10 HN PHE 10 -6.658 7.081 0.643 66 HA PHE 10 HA PHE 10 -5.950 9.893 0.497 67 HB2 PHE 10 HB2 PHE 10 -4.848 7.470 1.820 68 HB3 PHE 10 HB1 PHE 10 -3.696 8.711 1.352 69 HD1 PHE 10 HD1 PHE 10 -6.867 8.238 3.236 70 HD2 PHE 10 HD2 PHE 10 -3.296 10.486 2.739 71 HE1 PHE 10 HE1 PHE 10 -7.382 9.495 5.289 72 HE2 PHE 10 HE2 PHE 10 -3.799 11.749 4.791 73 HZ PHE 10 HZ PHE 10 -5.844 11.254 6.068 74 H LYS 11 HN LYS 11 -4.578 10.730 -0.985 75 HA LYS 11 HA LYS 11 -3.193 10.897 -2.778 76 HB2 LYS 11 HB2 LYS 11 -2.087 8.450 -1.416 77 HB3 LYS 11 HB1 LYS 11 -1.296 9.213 -2.786 78 HG2 LYS 11 HG2 LYS 11 -0.259 9.962 -0.758 79 HG3 LYS 11 HG1 LYS 11 -1.123 11.308 -1.483 80 HD2 LYS 11 HD2 LYS 11 -3.016 10.715 0.098 81 HD3 LYS 11 HD1 LYS 11 -1.875 9.681 0.949 82 HE2 LYS 11 HE2 LYS 11 -1.959 11.821 2.046 83 HE3 LYS 11 HE1 LYS 11 -0.400 11.657 1.244 84 HZ1 LYS 11 HZ1 LYS 11 -2.717 13.150 0.136 85 HZ2 LYS 11 HZ2 LYS 11 -1.164 13.065 -0.530 86 HZ3 LYS 11 HZ3 LYS 11 -1.409 13.858 0.941 87 H GLY 12 HN GLY 12 -2.224 7.877 -3.506 88 HA2 GLY 12 HA2 GLY 12 -4.168 7.661 -5.683 89 HA3 GLY 12 HA1 GLY 12 -2.627 6.829 -5.606 90 HA PRO 13 HA PRO 13 -6.288 4.368 -3.600 91 HB2 PRO 13 HB2 PRO 13 -7.860 3.602 -5.665 92 HB3 PRO 13 HB1 PRO 13 -8.144 5.090 -4.754 93 HG2 PRO 13 HG2 PRO 13 -6.812 4.716 -7.407 94 HG3 PRO 13 HG1 PRO 13 -7.960 5.969 -6.898 95 HD2 PRO 13 HD2 PRO 13 -5.268 6.363 -7.026 96 HD3 PRO 13 HD1 PRO 13 -6.318 7.225 -5.888 97 H CYS 14 HN CYS 14 -6.056 2.167 -3.390 98 HA CYS 14 HA CYS 14 -4.380 0.885 -5.437 99 HB2 CYS 14 HB2 CYS 14 -3.567 1.256 -2.980 100 HB3 CYS 14 HB1 CYS 14 -4.558 -0.152 -2.634 101 H ILE 15 HN ILE 15 -6.089 -0.814 -2.834 102 HA ILE 15 HA ILE 15 -8.024 -1.878 -4.739 103 HB ILE 15 HB ILE 15 -7.548 -4.203 -4.141 104 HG12 ILE 15 HG12 ILE 15 -5.156 -3.020 -2.703 105 HG13 ILE 15 HG11 ILE 15 -6.507 -3.890 -1.982 106 HG21 ILE 15 HG21 ILE 15 -5.183 -2.760 -5.328 107 HG22 ILE 15 HG22 ILE 15 -6.608 -3.330 -6.196 108 HG23 ILE 15 HG23 ILE 15 -5.500 -4.489 -5.464 109 HD11 ILE 15 HD11 ILE 15 -4.519 -5.278 -2.143 110 HD12 ILE 15 HD12 ILE 15 -4.516 -5.072 -3.894 111 HD13 ILE 15 HD13 ILE 15 -5.847 -5.923 -3.110 112 HA PRO 16 HA PRO 16 -10.364 -1.556 -1.019 113 HB2 PRO 16 HB2 PRO 16 -12.761 -2.293 -1.999 114 HB3 PRO 16 HB1 PRO 16 -11.988 -0.770 -2.445 115 HG2 PRO 16 HG2 PRO 16 -12.303 -3.256 -4.017 116 HG3 PRO 16 HG1 PRO 16 -12.149 -1.583 -4.572 117 HD2 PRO 16 HD2 PRO 16 -10.119 -3.568 -4.484 118 HD3 PRO 16 HD1 PRO 16 -9.927 -1.857 -4.894 119 H ASP 17 HN ASP 17 -8.863 -4.033 -1.299 120 HA ASP 17 HA ASP 17 -10.795 -6.088 -0.528 121 HB2 ASP 17 HB2 ASP 17 -7.888 -6.267 -1.304 122 HB3 ASP 17 HB1 ASP 17 -8.822 -7.640 -0.727 123 H GLY 18 HN GLY 18 -8.421 -4.029 0.872 124 HA2 GLY 18 HA2 GLY 18 -7.963 -3.657 3.095 125 HA3 GLY 18 HA1 GLY 18 -9.219 -4.810 3.493 126 H ASN 19 HN ASN 19 -6.252 -5.253 1.662 127 HA ASN 19 HA ASN 19 -5.346 -7.303 3.545 128 HB2 ASN 19 HB2 ASN 19 -4.723 -8.695 1.631 129 HB3 ASN 19 HB1 ASN 19 -6.451 -8.364 1.597 130 HD21 ASN 19 HD21 ASN 19 -6.524 -5.859 0.515 131 HD22 ASN 19 HD22 ASN 19 -5.874 -5.853 -1.072 132 H CYS 20 HN CYS 20 -4.567 -4.596 3.326 133 HA CYS 20 HA CYS 20 -2.923 -3.828 1.360 134 HB2 CYS 20 HB2 CYS 20 -2.042 -2.123 2.863 135 HB3 CYS 20 HB1 CYS 20 -3.774 -2.270 2.969 136 H ASN 21 HN ASN 21 -1.844 -5.385 4.356 137 HA ASN 21 HA ASN 21 0.879 -5.014 3.821 138 HB2 ASN 21 HB2 ASN 21 -0.594 -6.898 5.618 139 HB3 ASN 21 HB1 ASN 21 1.154 -6.990 5.455 140 HD21 ASN 21 HD21 ASN 21 1.367 -4.094 5.041 141 HD22 ASN 21 HD22 ASN 21 1.141 -3.403 6.606 142 H LYS 22 HN LYS 22 -1.085 -7.946 3.413 143 HA LYS 22 HA LYS 22 1.092 -9.367 2.337 144 HB2 LYS 22 HB2 LYS 22 -0.487 -11.114 1.823 145 HB3 LYS 22 HB1 LYS 22 -0.809 -10.466 3.419 146 HG2 LYS 22 HG2 LYS 22 -2.680 -9.126 2.437 147 HG3 LYS 22 HG1 LYS 22 -2.350 -9.927 0.895 148 HD2 LYS 22 HD2 LYS 22 -2.654 -12.127 2.074 149 HD3 LYS 22 HD1 LYS 22 -3.229 -11.216 3.469 150 HE2 LYS 22 HE2 LYS 22 -5.048 -12.091 2.047 151 HE3 LYS 22 HE1 LYS 22 -5.071 -10.338 2.206 152 HZ1 LYS 22 HZ1 LYS 22 -3.934 -11.826 -0.104 153 HZ2 LYS 22 HZ2 LYS 22 -4.070 -10.147 0.030 154 HZ3 LYS 22 HZ3 LYS 22 -5.460 -11.098 -0.082 155 H HIS 23 HN HIS 23 -1.348 -7.338 0.786 156 HA HIS 23 HA HIS 23 -0.920 -8.341 -1.821 157 HB2 HIS 23 HB2 HIS 23 -2.825 -6.846 -1.234 158 HB3 HIS 23 HB1 HIS 23 -1.689 -5.503 -1.126 159 HD1 HIS 23 HD1 HIS 23 -3.133 -7.923 -3.652 160 HD2 HIS 23 HD2 HIS 23 -1.004 -4.351 -3.535 161 HE1 HIS 23 HE1 HIS 23 -3.068 -7.094 -6.023 162 HE2 HIS 23 HE2 HIS 23 -1.614 -5.044 -5.950 163 H CYS 24 HN CYS 24 0.495 -5.473 -0.229 164 HA CYS 24 HA CYS 24 2.293 -4.881 -2.324 165 HB2 CYS 24 HB2 CYS 24 2.197 -4.206 0.594 166 HB3 CYS 24 HB1 CYS 24 3.646 -3.854 -0.326 167 H ARG 25 HN ARG 25 2.579 -6.884 0.591 168 HA ARG 25 HA ARG 25 5.446 -6.996 0.291 169 HB2 ARG 25 HB2 ARG 25 3.653 -8.293 2.336 170 HB3 ARG 25 HB1 ARG 25 5.398 -8.142 2.440 171 HG2 ARG 25 HG2 ARG 25 3.508 -5.822 2.282 172 HG3 ARG 25 HG1 ARG 25 4.160 -6.472 3.787 173 HD2 ARG 25 HD2 ARG 25 6.191 -5.916 1.771 174 HD3 ARG 25 HD1 ARG 25 5.310 -4.471 2.271 175 HE ARG 25 HE ARG 25 6.094 -4.787 4.477 176 HH11 ARG 25 HH11 ARG 25 7.388 -7.186 2.280 177 HH12 ARG 25 HH12 ARG 25 8.651 -7.669 3.355 178 HH21 ARG 25 HH21 ARG 25 7.745 -5.433 5.896 179 HH22 ARG 25 HH22 ARG 25 8.854 -6.677 5.416 180 H ASN 26 HN ASN 26 2.742 -9.194 -0.195 181 HA ASN 26 HA ASN 26 4.469 -11.469 -0.602 182 HB2 ASN 26 HB2 ASN 26 1.543 -11.086 -1.252 183 HB3 ASN 26 HB1 ASN 26 2.409 -12.591 -1.430 184 HD21 ASN 26 HD21 ASN 26 3.914 -11.875 1.103 185 HD22 ASN 26 HD22 ASN 26 2.807 -12.271 2.373 186 H ASN 27 HN ASN 27 2.732 -9.151 -2.600 187 HA ASN 27 HA ASN 27 3.336 -10.628 -5.009 188 HB2 ASN 27 HB2 ASN 27 1.899 -8.003 -4.597 189 HB3 ASN 27 HB1 ASN 27 2.062 -8.827 -6.144 190 HD21 ASN 27 HD21 ASN 27 0.593 -8.917 -2.978 191 HD22 ASN 27 HD22 ASN 27 -0.624 -10.086 -3.374 192 H GLU 28 HN GLU 28 4.095 -7.377 -3.741 193 HA GLU 28 HA GLU 28 6.120 -7.186 -5.860 194 HB2 GLU 28 HB2 GLU 28 4.212 -5.511 -5.763 195 HB3 GLU 28 HB1 GLU 28 4.957 -4.868 -4.300 196 HG2 GLU 28 HG2 GLU 28 5.619 -3.528 -6.156 197 HG3 GLU 28 HG1 GLU 28 7.020 -4.452 -5.611 198 H HIS 29 HN HIS 29 5.616 -7.197 -2.459 199 HA HIS 29 HA HIS 29 7.027 -7.679 -0.779 200 HB2 HIS 29 HB2 HIS 29 8.215 -9.037 -2.574 201 HB3 HIS 29 HB1 HIS 29 9.316 -7.676 -2.746 202 HD1 HIS 29 HD1 HIS 29 8.119 -10.059 -0.041 203 HD2 HIS 29 HD2 HIS 29 11.436 -7.766 -1.049 204 HE1 HIS 29 HE1 HIS 29 9.877 -10.623 1.664 205 HE2 HIS 29 HE2 HIS 29 11.926 -9.367 0.919 206 H LEU 30 HN LEU 30 6.316 -5.033 -1.303 207 HA LEU 30 HA LEU 30 8.477 -3.278 -1.249 208 HB2 LEU 30 HB2 LEU 30 5.642 -2.929 -0.326 209 HB3 LEU 30 HB1 LEU 30 6.832 -1.646 -0.253 210 HG LEU 30 HG LEU 30 7.184 -1.954 -2.699 211 HD11 LEU 30 HD11 LEU 30 5.450 -3.105 -3.913 212 HD12 LEU 30 HD12 LEU 30 4.781 -3.650 -2.370 213 HD13 LEU 30 HD13 LEU 30 6.402 -4.148 -2.854 214 HD21 LEU 30 HD21 LEU 30 5.256 -0.714 -3.392 215 HD22 LEU 30 HD22 LEU 30 5.715 -0.152 -1.780 216 HD23 LEU 30 HD23 LEU 30 4.350 -1.252 -1.980 217 H LEU 31 HN LEU 31 8.171 -1.575 0.780 218 HA LEU 31 HA LEU 31 9.596 -3.089 2.819 219 HB2 LEU 31 HB2 LEU 31 9.301 -0.097 2.795 220 HB3 LEU 31 HB1 LEU 31 10.578 -1.078 3.495 221 HG LEU 31 HG LEU 31 10.078 -0.606 0.564 222 HD11 LEU 31 HD11 LEU 31 11.182 1.231 1.749 223 HD12 LEU 31 HD12 LEU 31 12.265 0.447 0.598 224 HD13 LEU 31 HD13 LEU 31 12.417 0.111 2.324 225 HD21 LEU 31 HD21 LEU 31 10.758 -2.888 0.835 226 HD22 LEU 31 HD22 LEU 31 12.077 -2.414 1.910 227 HD23 LEU 31 HD23 LEU 31 12.119 -1.957 0.206 228 H SER 32 HN SER 32 6.927 -0.695 2.750 229 HA SER 32 HA SER 32 6.267 -1.548 5.499 230 HB2 SER 32 HB2 SER 32 5.526 0.792 3.803 231 HB3 SER 32 HB1 SER 32 4.522 0.347 5.168 232 HG SER 32 HG SER 32 6.693 1.794 5.203 233 H GLY 33 HN GLY 33 4.965 -1.413 2.314 234 HA2 GLY 33 HA2 GLY 33 3.511 -2.773 1.233 235 HA3 GLY 33 HA1 GLY 33 3.722 -3.913 2.536 236 H ARG 34 HN ARG 34 2.237 -0.676 2.807 237 HA ARG 34 HA ARG 34 -0.203 -2.095 3.566 238 HB2 ARG 34 HB2 ARG 34 1.237 0.261 4.385 239 HB3 ARG 34 HB1 ARG 34 -0.451 0.657 4.118 240 HG2 ARG 34 HG2 ARG 34 -1.041 -1.181 5.697 241 HG3 ARG 34 HG1 ARG 34 0.686 -1.429 5.981 242 HD2 ARG 34 HD2 ARG 34 0.930 0.780 6.865 243 HD3 ARG 34 HD1 ARG 34 -0.717 1.221 6.389 244 HE ARG 34 HE ARG 34 -1.409 -0.553 8.061 245 HH11 ARG 34 HH11 ARG 34 1.607 1.204 8.370 246 HH12 ARG 34 HH12 ARG 34 1.624 1.113 10.099 247 HH21 ARG 34 HH21 ARG 34 -1.398 -0.658 10.331 248 HH22 ARG 34 HH22 ARG 34 -0.091 0.059 11.219 249 H CYS 35 HN CYS 35 -0.704 -2.509 1.162 250 HA CYS 35 HA CYS 35 -1.799 -0.155 -0.193 251 HB2 CYS 35 HB2 CYS 35 -0.667 -1.227 -1.842 252 HB3 CYS 35 HB1 CYS 35 -0.891 -2.809 -1.106 253 H ARG 36 HN ARG 36 -3.909 0.426 0.060 254 HA ARG 36 HA ARG 36 -5.873 -1.594 -0.646 255 HB2 ARG 36 HB2 ARG 36 -6.772 0.095 1.642 256 HB3 ARG 36 HB1 ARG 36 -7.328 -1.477 1.113 257 HG2 ARG 36 HG2 ARG 36 -5.370 -2.517 2.058 258 HG3 ARG 36 HG1 ARG 36 -4.792 -0.926 2.569 259 HD2 ARG 36 HD2 ARG 36 -6.600 -0.650 4.067 260 HD3 ARG 36 HD1 ARG 36 -7.426 -2.055 3.410 261 HE ARG 36 HE ARG 36 -4.863 -2.606 4.613 262 HH11 ARG 36 HH11 ARG 36 -8.304 -2.302 5.161 263 HH12 ARG 36 HH12 ARG 36 -8.310 -3.342 6.542 264 HH21 ARG 36 HH21 ARG 36 -4.859 -3.970 6.445 265 HH22 ARG 36 HH22 ARG 36 -6.346 -4.273 7.285 266 H ASP 37 HN ASP 37 -8.090 -0.554 -0.671 267 HA ASP 37 HA ASP 37 -8.120 2.335 -1.047 268 HB2 ASP 37 HB2 ASP 37 -8.084 1.278 -3.320 269 HB3 ASP 37 HB1 ASP 37 -9.524 0.367 -2.885 270 H ASP 38 HN ASP 38 -10.324 3.159 -0.637 271 HA ASP 38 HA ASP 38 -12.118 3.358 0.748 272 HB2 ASP 38 HB2 ASP 38 -12.925 1.210 -0.300 273 HB3 ASP 38 HB1 ASP 38 -12.148 0.342 1.027 274 H PHE 39 HN PHE 39 -9.952 0.797 1.831 275 HA PHE 39 HA PHE 39 -10.052 1.794 4.581 276 HB2 PHE 39 HB2 PHE 39 -8.423 -0.529 3.634 277 HB3 PHE 39 HB1 PHE 39 -9.125 -0.263 5.218 278 HD1 PHE 39 HD1 PHE 39 -11.705 -0.331 5.348 279 HD2 PHE 39 HD2 PHE 39 -9.439 -1.941 2.117 280 HE1 PHE 39 HE1 PHE 39 -13.608 -1.765 4.735 281 HE2 PHE 39 HE2 PHE 39 -11.345 -3.370 1.499 282 HZ PHE 39 HZ PHE 39 -13.428 -3.285 2.808 283 H ARG 40 HN ARG 40 -7.677 1.822 5.643 284 HA ARG 40 HA ARG 40 -6.104 3.391 3.701 285 HB2 ARG 40 HB2 ARG 40 -6.853 4.029 6.546 286 HB3 ARG 40 HB1 ARG 40 -5.489 4.805 5.763 287 HG2 ARG 40 HG2 ARG 40 -6.914 5.786 4.109 288 HG3 ARG 40 HG1 ARG 40 -8.303 4.869 4.700 289 HD2 ARG 40 HD2 ARG 40 -6.773 6.865 6.360 290 HD3 ARG 40 HD1 ARG 40 -8.227 7.259 5.443 291 HE ARG 40 HE ARG 40 -9.050 5.182 6.928 292 HH11 ARG 40 HH11 ARG 40 -7.272 8.064 7.821 293 HH12 ARG 40 HH12 ARG 40 -8.002 8.179 9.386 294 HH21 ARG 40 HH21 ARG 40 -9.994 5.318 8.987 295 HH22 ARG 40 HH22 ARG 40 -9.544 6.606 10.059 296 H CYS 41 HN CYS 41 -4.272 2.430 3.346 297 HA CYS 41 HA CYS 41 -2.624 1.669 5.626 298 HB2 CYS 41 HB2 CYS 41 -3.506 -0.010 3.362 299 HB3 CYS 41 HB1 CYS 41 -1.853 -0.227 3.875 300 H TRP 42 HN TRP 42 -0.488 2.457 5.504 301 HA TRP 42 HA TRP 42 0.364 3.966 3.161 302 HB2 TRP 42 HB2 TRP 42 1.751 3.456 5.801 303 HB3 TRP 42 HB1 TRP 42 2.327 4.553 4.557 304 HD1 TRP 42 HD1 TRP 42 -0.486 4.202 7.153 305 HE1 TRP 42 HE1 TRP 42 -1.440 6.542 7.637 306 HE3 TRP 42 HE3 TRP 42 2.111 6.870 3.657 307 HZ2 TRP 42 HZ2 TRP 42 -1.125 9.175 6.655 308 HZ3 TRP 42 HZ3 TRP 42 1.731 9.280 3.490 309 HH2 TRP 42 HH2 TRP 42 0.141 10.416 4.948 310 H CYS 43 HN CYS 43 1.278 2.754 1.441 311 HA CYS 43 HA CYS 43 3.082 0.576 2.248 312 HB2 CYS 43 HB2 CYS 43 1.260 0.092 0.549 313 HB3 CYS 43 HB1 CYS 43 2.177 1.072 -0.598 314 H THR 44 HN THR 44 5.187 0.640 1.977 315 HA THR 44 HA THR 44 6.350 3.133 0.940 316 HB THR 44 HB THR 44 7.529 1.214 2.955 317 HG1 THR 44 HG1 THR 44 5.843 3.414 3.227 318 HG21 THR 44 HG21 THR 44 9.104 3.035 3.412 319 HG22 THR 44 HG22 THR 44 8.371 3.988 2.119 320 HG23 THR 44 HG23 THR 44 9.209 2.484 1.740 321 H ASN 45 HN ASN 45 7.634 3.021 -0.759 322 HA ASN 45 HA ASN 45 9.516 0.843 -1.074 323 HB2 ASN 45 HB2 ASN 45 7.411 0.189 -2.363 324 HB3 ASN 45 HB1 ASN 45 7.754 1.541 -3.430 325 HD21 ASN 45 HD21 ASN 45 8.924 -1.541 -2.252 326 HD22 ASN 45 HD22 ASN 45 9.961 -1.875 -3.591 327 H ARG 46 HN ARG 46 10.647 1.541 -3.489 328 HA ARG 46 HA ARG 46 11.567 4.255 -2.865 329 HB2 ARG 46 HB2 ARG 46 12.881 2.425 -4.858 330 HB3 ARG 46 HB1 ARG 46 13.588 3.752 -3.956 331 HG2 ARG 46 HG2 ARG 46 14.489 2.042 -2.787 332 HG3 ARG 46 HG1 ARG 46 12.965 2.173 -1.910 333 HD2 ARG 46 HD2 ARG 46 12.006 0.427 -3.318 334 HD3 ARG 46 HD1 ARG 46 13.523 0.295 -4.201 335 HE ARG 46 HE ARG 46 13.983 -0.086 -1.444 336 HH11 ARG 46 HH11 ARG 46 12.598 -1.682 -4.234 337 HH12 ARG 46 HH12 ARG 46 12.887 -3.278 -3.627 338 HH21 ARG 46 HH21 ARG 46 14.380 -2.183 -0.641 339 HH22 ARG 46 HH22 ARG 46 13.916 -3.564 -1.582 340 H CYS 47 HN CYS 47 10.807 5.878 -4.072 341 HA CYS 47 HA CYS 47 9.360 5.208 -6.497 342 HB2 CYS 47 HB2 CYS 47 8.543 7.551 -6.388 343 HB3 CYS 47 HB1 CYS 47 8.193 6.626 -4.935 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 13.164 6.711 7.143 2 H2 LYS 1 HT2 LYS 1 12.874 7.751 5.842 3 H3 LYS 1 HT3 LYS 1 14.230 6.743 5.832 4 HA LYS 1 HA LYS 1 12.883 4.803 5.688 5 HB2 LYS 1 HB2 LYS 1 10.486 4.899 5.541 6 HB3 LYS 1 HB1 LYS 1 10.976 5.748 6.999 7 HG2 LYS 1 HG2 LYS 1 10.657 7.874 5.917 8 HG3 LYS 1 HG1 LYS 1 10.284 7.073 4.391 9 HD2 LYS 1 HD2 LYS 1 8.361 5.962 5.560 10 HD3 LYS 1 HD1 LYS 1 8.686 7.006 6.944 11 HE2 LYS 1 HE2 LYS 1 8.023 7.938 4.154 12 HE3 LYS 1 HE1 LYS 1 6.900 7.889 5.510 13 HZ1 LYS 1 HZ1 LYS 1 7.773 10.100 5.202 14 HZ2 LYS 1 HZ2 LYS 1 9.361 9.539 5.344 15 HZ3 LYS 1 HZ3 LYS 1 8.319 9.475 6.675 16 H THR 2 HN THR 2 11.225 4.424 3.660 17 HA THR 2 HA THR 2 12.536 5.790 1.424 18 HB THR 2 HB THR 2 11.324 3.858 0.172 19 HG1 THR 2 HG1 THR 2 11.784 2.387 2.487 20 HG21 THR 2 HG21 THR 2 13.741 4.126 0.292 21 HG22 THR 2 HG22 THR 2 13.297 2.434 0.510 22 HG23 THR 2 HG23 THR 2 13.751 3.413 1.904 23 H CYS 3 HN CYS 3 10.937 5.771 -0.582 24 HA CYS 3 HA CYS 3 9.069 7.784 -0.118 25 HB2 CYS 3 HB2 CYS 3 8.990 5.777 -2.381 26 HB3 CYS 3 HB1 CYS 3 8.307 7.399 -2.379 27 H GLU 4 HN GLU 4 7.287 7.657 1.041 28 HA GLU 4 HA GLU 4 5.745 5.154 1.003 29 HB2 GLU 4 HB2 GLU 4 6.964 5.388 3.124 30 HB3 GLU 4 HB1 GLU 4 6.265 6.981 3.353 31 HG2 GLU 4 HG2 GLU 4 4.018 5.944 3.451 32 HG3 GLU 4 HG1 GLU 4 4.783 4.351 3.358 33 H ASN 5 HN ASN 5 3.595 5.352 0.769 34 HA ASN 5 HA ASN 5 2.377 7.908 1.397 35 HB2 ASN 5 HB2 ASN 5 1.166 8.125 -0.636 36 HB3 ASN 5 HB1 ASN 5 2.847 7.904 -1.077 37 HD21 ASN 5 HD21 ASN 5 -0.290 6.395 -0.898 38 HD22 ASN 5 HD22 ASN 5 0.027 5.152 -2.065 39 H LEU 6 HN LEU 6 0.161 7.777 1.724 40 HA LEU 6 HA LEU 6 -0.718 5.173 2.651 41 HB2 LEU 6 HB2 LEU 6 -1.033 7.702 3.631 42 HB3 LEU 6 HB1 LEU 6 -2.555 7.473 2.794 43 HG LEU 6 HG LEU 6 -1.436 5.730 5.036 44 HD11 LEU 6 HD11 LEU 6 -3.382 6.571 6.272 45 HD12 LEU 6 HD12 LEU 6 -3.841 7.581 4.903 46 HD13 LEU 6 HD13 LEU 6 -2.338 7.899 5.768 47 HD21 LEU 6 HD21 LEU 6 -2.586 4.205 3.796 48 HD22 LEU 6 HD22 LEU 6 -3.751 5.400 3.188 49 HD23 LEU 6 HD23 LEU 6 -3.857 4.834 4.856 50 H SER 7 HN SER 7 -2.098 3.930 1.503 51 HA SER 7 HA SER 7 -2.727 4.844 -1.175 52 HB2 SER 7 HB2 SER 7 -3.023 2.102 0.062 53 HB3 SER 7 HB1 SER 7 -3.080 2.498 -1.650 54 HG SER 7 HG SER 7 -0.917 3.050 -1.578 55 H GLY 8 HN GLY 8 -4.766 4.523 -2.143 56 HA2 GLY 8 HA2 GLY 8 -7.022 3.661 -2.017 57 HA3 GLY 8 HA1 GLY 8 -7.022 4.042 -0.300 58 H THR 9 HN THR 9 -8.176 5.753 0.202 59 HA THR 9 HA THR 9 -9.043 7.693 -1.664 60 HB THR 9 HB THR 9 -10.202 7.280 0.503 61 HG1 THR 9 HG1 THR 9 -9.986 9.503 -0.724 62 HG21 THR 9 HG21 THR 9 -9.336 8.268 2.562 63 HG22 THR 9 HG22 THR 9 -7.867 8.760 1.717 64 HG23 THR 9 HG23 THR 9 -8.226 7.047 1.937 65 H PHE 10 HN PHE 10 -6.257 7.321 0.340 66 HA PHE 10 HA PHE 10 -5.222 9.968 -0.260 67 HB2 PHE 10 HB2 PHE 10 -4.318 7.704 1.499 68 HB3 PHE 10 HB1 PHE 10 -3.250 9.047 1.121 69 HD1 PHE 10 HD1 PHE 10 -4.063 11.380 1.663 70 HD2 PHE 10 HD2 PHE 10 -5.832 7.857 3.243 71 HE1 PHE 10 HE1 PHE 10 -5.057 12.707 3.489 72 HE2 PHE 10 HE2 PHE 10 -6.832 9.169 5.075 73 HZ PHE 10 HZ PHE 10 -6.443 11.600 5.197 74 H LYS 11 HN LYS 11 -3.739 10.377 -1.762 75 HA LYS 11 HA LYS 11 -2.011 10.176 -3.204 76 HB2 LYS 11 HB2 LYS 11 -1.218 8.196 -1.079 77 HB3 LYS 11 HB1 LYS 11 -0.143 8.691 -2.374 78 HG2 LYS 11 HG2 LYS 11 0.484 10.035 -0.596 79 HG3 LYS 11 HG1 LYS 11 -0.559 11.084 -1.541 80 HD2 LYS 11 HD2 LYS 11 -2.410 10.535 -0.006 81 HD3 LYS 11 HD1 LYS 11 -1.301 9.574 0.980 82 HE2 LYS 11 HE2 LYS 11 -1.662 11.844 1.876 83 HE3 LYS 11 HE1 LYS 11 0.020 11.536 1.457 84 HZ1 LYS 11 HZ1 LYS 11 -1.906 13.014 -0.250 85 HZ2 LYS 11 HZ2 LYS 11 -0.260 12.787 -0.561 86 HZ3 LYS 11 HZ3 LYS 11 -0.749 13.736 0.749 87 H GLY 12 HN GLY 12 -4.284 8.343 -3.852 88 HA2 GLY 12 HA2 GLY 12 -4.349 7.166 -5.943 89 HA3 GLY 12 HA1 GLY 12 -2.716 6.603 -5.638 90 HA PRO 13 HA PRO 13 -6.214 3.846 -3.717 91 HB2 PRO 13 HB2 PRO 13 -7.510 2.690 -5.775 92 HB3 PRO 13 HB1 PRO 13 -8.004 4.250 -5.105 93 HG2 PRO 13 HG2 PRO 13 -6.387 3.665 -7.553 94 HG3 PRO 13 HG1 PRO 13 -7.698 4.837 -7.335 95 HD2 PRO 13 HD2 PRO 13 -5.059 5.506 -7.273 96 HD3 PRO 13 HD1 PRO 13 -6.308 6.392 -6.376 97 H CYS 14 HN CYS 14 -6.168 1.579 -3.483 98 HA CYS 14 HA CYS 14 -4.286 0.152 -5.219 99 HB2 CYS 14 HB2 CYS 14 -2.988 0.322 -3.301 100 HB3 CYS 14 HB1 CYS 14 -4.375 0.206 -2.219 101 H ILE 15 HN ILE 15 -6.319 -1.055 -2.510 102 HA ILE 15 HA ILE 15 -8.009 -2.483 -4.411 103 HB ILE 15 HB ILE 15 -7.621 -4.666 -3.323 104 HG12 ILE 15 HG12 ILE 15 -5.310 -3.225 -1.998 105 HG13 ILE 15 HG11 ILE 15 -6.736 -3.882 -1.198 106 HG21 ILE 15 HG21 ILE 15 -5.168 -3.460 -4.590 107 HG22 ILE 15 HG22 ILE 15 -6.533 -4.187 -5.436 108 HG23 ILE 15 HG23 ILE 15 -5.494 -5.185 -4.420 109 HD11 ILE 15 HD11 ILE 15 -4.633 -5.467 -2.639 110 HD12 ILE 15 HD12 ILE 15 -6.070 -6.129 -1.863 111 HD13 ILE 15 HD13 ILE 15 -4.834 -5.331 -0.893 112 HA PRO 16 HA PRO 16 -10.887 -1.746 -1.165 113 HB2 PRO 16 HB2 PRO 16 -12.989 -3.132 -2.089 114 HB3 PRO 16 HB1 PRO 16 -12.392 -1.685 -2.905 115 HG2 PRO 16 HG2 PRO 16 -12.011 -4.552 -3.613 116 HG3 PRO 16 HG1 PRO 16 -12.243 -3.154 -4.675 117 HD2 PRO 16 HD2 PRO 16 -9.802 -4.352 -4.084 118 HD3 PRO 16 HD1 PRO 16 -10.009 -2.722 -4.747 119 H ASP 17 HN ASP 17 -9.415 -4.719 -1.518 120 HA ASP 17 HA ASP 17 -11.125 -6.311 0.128 121 HB2 ASP 17 HB2 ASP 17 -8.321 -6.693 -0.895 122 HB3 ASP 17 HB1 ASP 17 -9.112 -7.875 0.142 123 H GLY 18 HN GLY 18 -8.535 -4.103 0.773 124 HA2 GLY 18 HA2 GLY 18 -8.132 -3.053 2.785 125 HA3 GLY 18 HA1 GLY 18 -9.262 -4.148 3.561 126 H ASN 19 HN ASN 19 -7.120 -5.951 1.921 127 HA ASN 19 HA ASN 19 -5.533 -6.550 4.273 128 HB2 ASN 19 HB2 ASN 19 -4.706 -8.377 2.531 129 HB3 ASN 19 HB1 ASN 19 -6.244 -8.551 3.369 130 HD21 ASN 19 HD21 ASN 19 -5.677 -6.235 0.828 131 HD22 ASN 19 HD22 ASN 19 -6.773 -6.927 -0.303 132 H CYS 20 HN CYS 20 -4.677 -4.296 3.839 133 HA CYS 20 HA CYS 20 -3.272 -3.552 1.613 134 HB2 CYS 20 HB2 CYS 20 -2.124 -1.945 3.172 135 HB3 CYS 20 HB1 CYS 20 -3.879 -1.892 3.180 136 H ASN 21 HN ASN 21 -2.083 -5.235 4.480 137 HA ASN 21 HA ASN 21 0.628 -4.743 3.919 138 HB2 ASN 21 HB2 ASN 21 -0.682 -5.637 6.100 139 HB3 ASN 21 HB1 ASN 21 -0.001 -7.150 5.506 140 HD21 ASN 21 HD21 ASN 21 1.474 -4.007 5.048 141 HD22 ASN 21 HD22 ASN 21 2.836 -4.287 6.080 142 H LYS 22 HN LYS 22 -1.243 -7.749 3.578 143 HA LYS 22 HA LYS 22 0.903 -9.168 2.457 144 HB2 LYS 22 HB2 LYS 22 -1.266 -10.504 1.480 145 HB3 LYS 22 HB1 LYS 22 -0.557 -10.752 3.068 146 HG2 LYS 22 HG2 LYS 22 -2.194 -9.332 4.086 147 HG3 LYS 22 HG1 LYS 22 -2.833 -8.849 2.510 148 HD2 LYS 22 HD2 LYS 22 -3.828 -10.907 2.148 149 HD3 LYS 22 HD1 LYS 22 -2.753 -11.739 3.272 150 HE2 LYS 22 HE2 LYS 22 -4.798 -9.716 4.150 151 HE3 LYS 22 HE1 LYS 22 -5.146 -11.440 4.031 152 HZ1 LYS 22 HZ1 LYS 22 -3.407 -11.879 5.628 153 HZ2 LYS 22 HZ2 LYS 22 -4.516 -10.780 6.279 154 HZ3 LYS 22 HZ3 LYS 22 -3.017 -10.235 5.717 155 H HIS 23 HN HIS 23 -1.559 -7.140 0.914 156 HA HIS 23 HA HIS 23 -1.159 -8.122 -1.692 157 HB2 HIS 23 HB2 HIS 23 -3.031 -6.601 -1.078 158 HB3 HIS 23 HB1 HIS 23 -1.874 -5.275 -0.977 159 HD1 HIS 23 HD1 HIS 23 -1.560 -3.987 -3.087 160 HD2 HIS 23 HD2 HIS 23 -3.036 -7.802 -3.807 161 HE1 HIS 23 HE1 HIS 23 -1.979 -4.093 -5.557 162 HE2 HIS 23 HE2 HIS 23 -2.684 -6.468 -5.991 163 H CYS 24 HN CYS 24 0.323 -5.287 -0.102 164 HA CYS 24 HA CYS 24 2.018 -4.693 -2.286 165 HB2 CYS 24 HB2 CYS 24 1.956 -3.923 0.584 166 HB3 CYS 24 HB1 CYS 24 3.452 -3.690 -0.297 167 H ARG 25 HN ARG 25 2.377 -6.800 0.502 168 HA ARG 25 HA ARG 25 5.254 -6.871 0.178 169 HB2 ARG 25 HB2 ARG 25 3.461 -8.214 2.195 170 HB3 ARG 25 HB1 ARG 25 5.216 -8.143 2.273 171 HG2 ARG 25 HG2 ARG 25 3.456 -5.719 2.205 172 HG3 ARG 25 HG1 ARG 25 4.044 -6.468 3.693 173 HD2 ARG 25 HD2 ARG 25 6.089 -5.938 1.654 174 HD3 ARG 25 HD1 ARG 25 5.344 -4.483 2.353 175 HE ARG 25 HE ARG 25 5.987 -5.385 4.566 176 HH11 ARG 25 HH11 ARG 25 7.725 -6.556 1.761 177 HH12 ARG 25 HH12 ARG 25 9.073 -7.128 2.685 178 HH21 ARG 25 HH21 ARG 25 7.765 -6.145 5.776 179 HH22 ARG 25 HH22 ARG 25 9.102 -6.884 4.950 180 H ASN 26 HN ASN 26 2.548 -9.083 -0.207 181 HA ASN 26 HA ASN 26 4.278 -11.318 -0.770 182 HB2 ASN 26 HB2 ASN 26 1.296 -10.960 -1.021 183 HB3 ASN 26 HB1 ASN 26 2.121 -12.460 -1.386 184 HD21 ASN 26 HD21 ASN 26 4.019 -11.946 0.863 185 HD22 ASN 26 HD22 ASN 26 3.135 -12.353 2.289 186 H ASN 27 HN ASN 27 2.354 -9.022 -2.600 187 HA ASN 27 HA ASN 27 2.777 -10.502 -5.052 188 HB2 ASN 27 HB2 ASN 27 1.332 -7.891 -4.571 189 HB3 ASN 27 HB1 ASN 27 1.327 -8.802 -6.078 190 HD21 ASN 27 HD21 ASN 27 0.259 -8.743 -2.757 191 HD22 ASN 27 HD22 ASN 27 -0.977 -9.942 -2.927 192 H GLU 28 HN GLU 28 3.543 -7.204 -3.873 193 HA GLU 28 HA GLU 28 5.418 -6.979 -6.122 194 HB2 GLU 28 HB2 GLU 28 3.592 -5.247 -5.756 195 HB3 GLU 28 HB1 GLU 28 4.486 -4.737 -4.333 196 HG2 GLU 28 HG2 GLU 28 5.001 -3.290 -6.171 197 HG3 GLU 28 HG1 GLU 28 6.428 -4.239 -5.757 198 H HIS 29 HN HIS 29 5.232 -7.162 -2.690 199 HA HIS 29 HA HIS 29 6.761 -7.609 -1.121 200 HB2 HIS 29 HB2 HIS 29 7.845 -8.914 -3.079 201 HB3 HIS 29 HB1 HIS 29 8.974 -7.567 -3.154 202 HD1 HIS 29 HD1 HIS 29 7.769 -10.209 -0.721 203 HD2 HIS 29 HD2 HIS 29 11.027 -7.704 -1.352 204 HE1 HIS 29 HE1 HIS 29 9.477 -10.874 0.999 205 HE2 HIS 29 HE2 HIS 29 11.490 -9.444 0.509 206 H LEU 30 HN LEU 30 5.946 -5.038 -1.503 207 HA LEU 30 HA LEU 30 8.149 -3.239 -1.684 208 HB2 LEU 30 HB2 LEU 30 5.431 -2.698 -0.501 209 HB3 LEU 30 HB1 LEU 30 6.632 -1.502 -0.946 210 HG LEU 30 HG LEU 30 4.888 -3.168 -2.729 211 HD11 LEU 30 HD11 LEU 30 4.100 -0.952 -2.005 212 HD12 LEU 30 HD12 LEU 30 4.397 -1.023 -3.746 213 HD13 LEU 30 HD13 LEU 30 5.562 -0.233 -2.687 214 HD21 LEU 30 HD21 LEU 30 7.424 -1.755 -3.536 215 HD22 LEU 30 HD22 LEU 30 6.213 -2.393 -4.647 216 HD23 LEU 30 HD23 LEU 30 7.117 -3.490 -3.607 217 H LEU 31 HN LEU 31 7.854 -1.472 0.427 218 HA LEU 31 HA LEU 31 9.505 -3.031 2.246 219 HB2 LEU 31 HB2 LEU 31 9.118 -0.052 2.112 220 HB3 LEU 31 HB1 LEU 31 10.419 -0.909 2.921 221 HG LEU 31 HG LEU 31 9.904 -0.708 -0.030 222 HD11 LEU 31 HD11 LEU 31 11.090 1.172 0.967 223 HD12 LEU 31 HD12 LEU 31 12.147 0.240 -0.095 224 HD13 LEU 31 HD13 LEU 31 12.276 0.064 1.655 225 HD21 LEU 31 HD21 LEU 31 11.903 -2.153 -0.299 226 HD22 LEU 31 HD22 LEU 31 10.481 -2.970 0.350 227 HD23 LEU 31 HD23 LEU 31 11.807 -2.518 1.425 228 H SER 32 HN SER 32 6.903 -0.582 2.653 229 HA SER 32 HA SER 32 6.453 -1.726 5.338 230 HB2 SER 32 HB2 SER 32 5.753 0.829 4.002 231 HB3 SER 32 HB1 SER 32 4.637 0.224 5.216 232 HG SER 32 HG SER 32 7.225 1.210 5.482 233 H GLY 33 HN GLY 33 4.945 -1.247 2.282 234 HA2 GLY 33 HA2 GLY 33 3.470 -2.516 1.147 235 HA3 GLY 33 HA1 GLY 33 3.783 -3.784 2.301 236 H ARG 34 HN ARG 34 2.193 -0.645 3.038 237 HA ARG 34 HA ARG 34 -0.172 -2.294 3.603 238 HB2 ARG 34 HB2 ARG 34 -0.022 0.640 4.275 239 HB3 ARG 34 HB1 ARG 34 -0.950 -0.644 5.041 240 HG2 ARG 34 HG2 ARG 34 0.953 -1.453 6.210 241 HG3 ARG 34 HG1 ARG 34 2.027 -0.371 5.308 242 HD2 ARG 34 HD2 ARG 34 1.663 0.816 7.305 243 HD3 ARG 34 HD1 ARG 34 0.501 1.529 6.191 244 HE ARG 34 HE ARG 34 -0.791 -0.564 7.496 245 HH11 ARG 34 HH11 ARG 34 0.689 2.496 8.363 246 HH12 ARG 34 HH12 ARG 34 -0.405 2.793 9.674 247 HH21 ARG 34 HH21 ARG 34 -2.211 -0.179 9.232 248 HH22 ARG 34 HH22 ARG 34 -2.047 1.269 10.174 249 H CYS 35 HN CYS 35 -0.470 -2.256 0.943 250 HA CYS 35 HA CYS 35 -1.940 0.235 0.497 251 HB2 CYS 35 HB2 CYS 35 -1.679 0.171 -1.765 252 HB3 CYS 35 HB1 CYS 35 -0.193 -0.586 -1.225 253 H ARG 36 HN ARG 36 -4.001 0.464 0.337 254 HA ARG 36 HA ARG 36 -5.707 -1.517 -0.797 255 HB2 ARG 36 HB2 ARG 36 -7.338 -1.446 1.158 256 HB3 ARG 36 HB1 ARG 36 -5.924 -2.455 1.365 257 HG2 ARG 36 HG2 ARG 36 -4.899 -0.458 2.557 258 HG3 ARG 36 HG1 ARG 36 -6.535 0.189 2.607 259 HD2 ARG 36 HD2 ARG 36 -7.286 -1.854 3.743 260 HD3 ARG 36 HD1 ARG 36 -5.646 -2.474 3.743 261 HE ARG 36 HE ARG 36 -5.653 0.063 4.956 262 HH11 ARG 36 HH11 ARG 36 -6.830 -3.176 5.620 263 HH12 ARG 36 HH12 ARG 36 -6.873 -2.928 7.337 264 HH21 ARG 36 HH21 ARG 36 -5.716 0.371 7.217 265 HH22 ARG 36 HH22 ARG 36 -6.236 -0.931 8.239 266 H ASP 37 HN ASP 37 -8.126 -0.515 -0.521 267 HA ASP 37 HA ASP 37 -7.805 2.333 -1.177 268 HB2 ASP 37 HB2 ASP 37 -7.947 1.201 -3.277 269 HB3 ASP 37 HB1 ASP 37 -9.328 0.252 -2.734 270 H ASP 38 HN ASP 38 -10.396 -0.075 -0.681 271 HA ASP 38 HA ASP 38 -12.292 1.820 0.188 272 HB2 ASP 38 HB2 ASP 38 -12.816 -0.512 -0.595 273 HB3 ASP 38 HB1 ASP 38 -12.206 -1.109 0.946 274 H PHE 39 HN PHE 39 -9.665 0.251 1.690 275 HA PHE 39 HA PHE 39 -10.184 1.756 4.165 276 HB2 PHE 39 HB2 PHE 39 -8.558 -0.767 3.967 277 HB3 PHE 39 HB1 PHE 39 -9.064 0.049 5.426 278 HD1 PHE 39 HD1 PHE 39 -9.924 -2.405 2.901 279 HD2 PHE 39 HD2 PHE 39 -11.461 0.011 6.075 280 HE1 PHE 39 HE1 PHE 39 -11.926 -3.825 3.031 281 HE2 PHE 39 HE2 PHE 39 -13.455 -1.422 6.200 282 HZ PHE 39 HZ PHE 39 -13.685 -3.339 4.679 283 H ARG 40 HN ARG 40 -7.908 2.283 5.223 284 HA ARG 40 HA ARG 40 -6.179 3.049 2.963 285 HB2 ARG 40 HB2 ARG 40 -5.737 5.188 4.101 286 HB3 ARG 40 HB1 ARG 40 -7.435 4.989 3.700 287 HG2 ARG 40 HG2 ARG 40 -7.802 4.239 6.067 288 HG3 ARG 40 HG1 ARG 40 -6.142 4.739 6.400 289 HD2 ARG 40 HD2 ARG 40 -7.644 6.520 7.012 290 HD3 ARG 40 HD1 ARG 40 -6.713 7.009 5.597 291 HE ARG 40 HE ARG 40 -9.053 5.885 4.639 292 HH11 ARG 40 HH11 ARG 40 -8.150 8.607 6.641 293 HH12 ARG 40 HH12 ARG 40 -9.536 9.554 6.201 294 HH21 ARG 40 HH21 ARG 40 -10.878 7.129 4.052 295 HH22 ARG 40 HH22 ARG 40 -11.089 8.714 4.725 296 H CYS 41 HN CYS 41 -4.204 2.385 3.082 297 HA CYS 41 HA CYS 41 -2.913 1.963 5.680 298 HB2 CYS 41 HB2 CYS 41 -3.809 -0.006 3.871 299 HB3 CYS 41 HB1 CYS 41 -2.060 -0.021 3.806 300 H TRP 42 HN TRP 42 -0.604 2.430 5.681 301 HA TRP 42 HA TRP 42 0.419 3.999 3.454 302 HB2 TRP 42 HB2 TRP 42 1.676 3.226 6.090 303 HB3 TRP 42 HB1 TRP 42 2.445 4.264 4.903 304 HD1 TRP 42 HD1 TRP 42 -0.237 4.272 7.599 305 HE1 TRP 42 HE1 TRP 42 -0.942 6.704 8.058 306 HE3 TRP 42 HE3 TRP 42 2.219 6.562 3.754 307 HZ2 TRP 42 HZ2 TRP 42 -0.520 9.259 6.911 308 HZ3 TRP 42 HZ3 TRP 42 2.017 8.985 3.495 309 HH2 TRP 42 HH2 TRP 42 0.670 10.313 5.030 310 H CYS 43 HN CYS 43 1.247 2.833 1.644 311 HA CYS 43 HA CYS 43 3.050 0.602 2.335 312 HB2 CYS 43 HB2 CYS 43 1.205 0.093 0.728 313 HB3 CYS 43 HB1 CYS 43 1.959 1.195 -0.426 314 H THR 44 HN THR 44 5.145 0.752 2.087 315 HA THR 44 HA THR 44 6.253 3.222 0.951 316 HB THR 44 HB THR 44 7.670 1.414 2.900 317 HG1 THR 44 HG1 THR 44 6.598 3.603 4.073 318 HG21 THR 44 HG21 THR 44 8.627 3.726 3.521 319 HG22 THR 44 HG22 THR 44 8.010 4.219 1.940 320 HG23 THR 44 HG23 THR 44 9.192 2.916 2.061 321 H ASN 45 HN ASN 45 7.913 3.159 -0.487 322 HA ASN 45 HA ASN 45 9.519 0.835 -0.948 323 HB2 ASN 45 HB2 ASN 45 7.394 0.316 -2.218 324 HB3 ASN 45 HB1 ASN 45 7.732 1.715 -3.228 325 HD21 ASN 45 HD21 ASN 45 8.985 -1.406 -2.201 326 HD22 ASN 45 HD22 ASN 45 9.890 -1.719 -3.639 327 H ARG 46 HN ARG 46 10.678 1.491 -3.360 328 HA ARG 46 HA ARG 46 11.754 4.153 -2.758 329 HB2 ARG 46 HB2 ARG 46 12.919 2.170 -4.711 330 HB3 ARG 46 HB1 ARG 46 13.708 3.553 -3.980 331 HG2 ARG 46 HG2 ARG 46 14.631 1.981 -2.671 332 HG3 ARG 46 HG1 ARG 46 13.126 2.154 -1.769 333 HD2 ARG 46 HD2 ARG 46 12.163 0.286 -2.967 334 HD3 ARG 46 HD1 ARG 46 13.614 0.132 -3.952 335 HE ARG 46 HE ARG 46 14.379 -0.066 -1.282 336 HH11 ARG 46 HH11 ARG 46 12.470 -1.882 -3.602 337 HH12 ARG 46 HH12 ARG 46 12.787 -3.411 -2.850 338 HH21 ARG 46 HH21 ARG 46 14.814 -2.080 -0.315 339 HH22 ARG 46 HH22 ARG 46 14.130 -3.525 -0.990 340 H CYS 47 HN CYS 47 11.156 5.817 -3.995 341 HA CYS 47 HA CYS 47 9.681 5.225 -6.442 342 HB2 CYS 47 HB2 CYS 47 8.875 7.557 -6.289 343 HB3 CYS 47 HB1 CYS 47 8.515 6.629 -4.841 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 12.595 6.597 7.616 2 H2 LYS 1 HT2 LYS 1 12.415 7.709 6.354 3 H3 LYS 1 HT3 LYS 1 13.793 6.739 6.434 4 HA LYS 1 HA LYS 1 12.513 4.773 6.049 5 HB2 LYS 1 HB2 LYS 1 10.136 4.900 5.546 6 HB3 LYS 1 HB1 LYS 1 10.444 5.562 7.145 7 HG2 LYS 1 HG2 LYS 1 10.217 7.796 6.342 8 HG3 LYS 1 HG1 LYS 1 10.148 7.241 4.671 9 HD2 LYS 1 HD2 LYS 1 7.917 7.723 5.296 10 HD3 LYS 1 HD1 LYS 1 8.060 5.967 5.312 11 HE2 LYS 1 HE2 LYS 1 6.827 6.674 7.254 12 HE3 LYS 1 HE1 LYS 1 8.400 6.061 7.764 13 HZ1 LYS 1 HZ1 LYS 1 7.753 8.938 7.407 14 HZ2 LYS 1 HZ2 LYS 1 9.189 8.296 8.032 15 HZ3 LYS 1 HZ3 LYS 1 7.744 8.133 8.891 16 H THR 2 HN THR 2 11.271 4.354 3.848 17 HA THR 2 HA THR 2 12.595 5.994 1.824 18 HB THR 2 HB THR 2 12.257 4.197 0.261 19 HG1 THR 2 HG1 THR 2 10.324 3.330 0.883 20 HG21 THR 2 HG21 THR 2 14.242 3.972 1.573 21 HG22 THR 2 HG22 THR 2 13.523 2.372 1.412 22 HG23 THR 2 HG23 THR 2 13.339 3.274 2.915 23 H CYS 3 HN CYS 3 11.135 5.806 -0.324 24 HA CYS 3 HA CYS 3 9.175 7.757 0.014 25 HB2 CYS 3 HB2 CYS 3 9.194 5.791 -2.271 26 HB3 CYS 3 HB1 CYS 3 8.694 7.480 -2.291 27 H GLU 4 HN GLU 4 7.282 7.570 1.001 28 HA GLU 4 HA GLU 4 5.835 5.015 0.797 29 HB2 GLU 4 HB2 GLU 4 6.802 5.188 3.018 30 HB3 GLU 4 HB1 GLU 4 6.157 6.810 3.207 31 HG2 GLU 4 HG2 GLU 4 3.857 5.789 3.005 32 HG3 GLU 4 HG1 GLU 4 4.640 4.211 3.162 33 H ASN 5 HN ASN 5 3.665 5.151 0.447 34 HA ASN 5 HA ASN 5 2.370 7.729 0.858 35 HB2 ASN 5 HB2 ASN 5 1.338 7.838 -1.262 36 HB3 ASN 5 HB1 ASN 5 3.035 7.536 -1.578 37 HD21 ASN 5 HD21 ASN 5 -0.168 6.198 -1.575 38 HD22 ASN 5 HD22 ASN 5 0.184 4.839 -2.595 39 H LEU 6 HN LEU 6 0.130 7.603 1.019 40 HA LEU 6 HA LEU 6 -0.808 5.070 2.084 41 HB2 LEU 6 HB2 LEU 6 -1.155 7.590 2.940 42 HB3 LEU 6 HB1 LEU 6 -2.569 7.456 1.916 43 HG LEU 6 HG LEU 6 -1.898 5.733 4.329 44 HD11 LEU 6 HD11 LEU 6 -4.162 7.669 3.784 45 HD12 LEU 6 HD12 LEU 6 -2.767 7.982 4.818 46 HD13 LEU 6 HD13 LEU 6 -3.922 6.724 5.254 47 HD21 LEU 6 HD21 LEU 6 -4.021 5.465 2.229 48 HD22 LEU 6 HD22 LEU 6 -4.232 4.851 3.866 49 HD23 LEU 6 HD23 LEU 6 -2.908 4.241 2.873 50 H SER 7 HN SER 7 -2.229 3.780 1.052 51 HA SER 7 HA SER 7 -3.102 4.576 -1.612 52 HB2 SER 7 HB2 SER 7 -3.693 2.059 -1.678 53 HB3 SER 7 HB1 SER 7 -1.988 2.515 -1.696 54 HG SER 7 HG SER 7 -1.842 2.011 0.468 55 H GLY 8 HN GLY 8 -5.186 4.837 -2.134 56 HA2 GLY 8 HA2 GLY 8 -7.486 3.822 -1.439 57 HA3 GLY 8 HA1 GLY 8 -7.141 4.694 0.046 58 H THR 9 HN THR 9 -8.448 6.423 0.072 59 HA THR 9 HA THR 9 -9.082 8.006 -2.200 60 HB THR 9 HB THR 9 -10.390 8.076 -0.074 61 HG1 THR 9 HG1 THR 9 -9.973 9.996 -1.671 62 HG21 THR 9 HG21 THR 9 -8.586 7.970 1.534 63 HG22 THR 9 HG22 THR 9 -9.513 9.448 1.795 64 HG23 THR 9 HG23 THR 9 -7.952 9.517 0.973 65 H PHE 10 HN PHE 10 -6.438 7.717 -0.067 66 HA PHE 10 HA PHE 10 -5.108 10.148 -0.895 67 HB2 PHE 10 HB2 PHE 10 -4.508 7.905 1.007 68 HB3 PHE 10 HB1 PHE 10 -3.221 8.984 0.488 69 HD1 PHE 10 HD1 PHE 10 -3.019 11.149 1.340 70 HD2 PHE 10 HD2 PHE 10 -6.429 8.799 2.279 71 HE1 PHE 10 HE1 PHE 10 -3.657 12.778 3.073 72 HE2 PHE 10 HE2 PHE 10 -7.082 10.419 4.013 73 HZ PHE 10 HZ PHE 10 -5.693 12.415 4.410 74 H LYS 11 HN LYS 11 -3.737 10.252 -2.580 75 HA LYS 11 HA LYS 11 -2.206 9.694 -4.156 76 HB2 LYS 11 HB2 LYS 11 -1.384 7.822 -1.941 77 HB3 LYS 11 HB1 LYS 11 -0.400 8.162 -3.355 78 HG2 LYS 11 HG2 LYS 11 0.468 9.546 -1.695 79 HG3 LYS 11 HG1 LYS 11 -0.546 10.617 -2.648 80 HD2 LYS 11 HD2 LYS 11 -2.324 10.364 -0.979 81 HD3 LYS 11 HD1 LYS 11 -1.279 9.338 0.001 82 HE2 LYS 11 HE2 LYS 11 -1.170 11.524 0.922 83 HE3 LYS 11 HE1 LYS 11 0.343 11.258 0.062 84 HZ1 LYS 11 HZ1 LYS 11 -0.595 13.458 -0.359 85 HZ2 LYS 11 HZ2 LYS 11 -1.983 12.749 -1.016 86 HZ3 LYS 11 HZ3 LYS 11 -0.490 12.543 -1.777 87 H GLY 12 HN GLY 12 -4.699 8.230 -4.454 88 HA2 GLY 12 HA2 GLY 12 -5.251 6.874 -6.297 89 HA3 GLY 12 HA1 GLY 12 -3.637 6.191 -6.258 90 HA PRO 13 HA PRO 13 -6.809 3.569 -3.839 91 HB2 PRO 13 HB2 PRO 13 -7.896 2.203 -6.104 92 HB3 PRO 13 HB1 PRO 13 -8.713 3.340 -5.032 93 HG2 PRO 13 HG2 PRO 13 -8.173 3.822 -7.691 94 HG3 PRO 13 HG1 PRO 13 -8.432 5.083 -6.473 95 HD2 PRO 13 HD2 PRO 13 -5.859 4.007 -7.561 96 HD3 PRO 13 HD1 PRO 13 -6.324 5.686 -7.210 97 H CYS 14 HN CYS 14 -7.248 0.995 -4.237 98 HA CYS 14 HA CYS 14 -5.125 -0.400 -5.530 99 HB2 CYS 14 HB2 CYS 14 -4.250 0.614 -3.235 100 HB3 CYS 14 HB1 CYS 14 -5.046 -0.805 -2.571 101 H ILE 15 HN ILE 15 -7.189 -0.962 -2.614 102 HA ILE 15 HA ILE 15 -8.743 -3.022 -3.909 103 HB ILE 15 HB ILE 15 -7.890 -4.719 -2.072 104 HG12 ILE 15 HG12 ILE 15 -5.480 -2.956 -2.569 105 HG13 ILE 15 HG11 ILE 15 -6.333 -3.120 -1.039 106 HG21 ILE 15 HG21 ILE 15 -6.364 -5.703 -3.723 107 HG22 ILE 15 HG22 ILE 15 -6.396 -4.202 -4.647 108 HG23 ILE 15 HG23 ILE 15 -7.867 -5.158 -4.467 109 HD11 ILE 15 HD11 ILE 15 -4.308 -4.428 -1.009 110 HD12 ILE 15 HD12 ILE 15 -4.794 -5.282 -2.474 111 HD13 ILE 15 HD13 ILE 15 -5.706 -5.502 -0.980 112 HA PRO 16 HA PRO 16 -11.172 -1.910 -0.345 113 HB2 PRO 16 HB2 PRO 16 -13.385 -3.287 -0.891 114 HB3 PRO 16 HB1 PRO 16 -12.814 -2.002 -1.959 115 HG2 PRO 16 HG2 PRO 16 -12.716 -4.944 -2.324 116 HG3 PRO 16 HG1 PRO 16 -12.825 -3.663 -3.539 117 HD2 PRO 16 HD2 PRO 16 -10.488 -5.070 -2.687 118 HD3 PRO 16 HD1 PRO 16 -10.580 -3.720 -3.832 119 H ASP 17 HN ASP 17 -9.788 -4.956 -0.432 120 HA ASP 17 HA ASP 17 -11.607 -6.404 1.239 121 HB2 ASP 17 HB2 ASP 17 -8.942 -7.533 1.026 122 HB3 ASP 17 HB1 ASP 17 -10.484 -8.187 0.481 123 H GLY 18 HN GLY 18 -8.813 -4.468 1.966 124 HA2 GLY 18 HA2 GLY 18 -8.134 -3.733 4.068 125 HA3 GLY 18 HA1 GLY 18 -9.186 -4.927 4.809 126 H ASN 19 HN ASN 19 -6.955 -5.798 2.344 127 HA ASN 19 HA ASN 19 -5.176 -7.090 4.283 128 HB2 ASN 19 HB2 ASN 19 -4.717 -8.575 2.174 129 HB3 ASN 19 HB1 ASN 19 -6.171 -8.837 3.126 130 HD21 ASN 19 HD21 ASN 19 -5.695 -6.145 0.953 131 HD22 ASN 19 HD22 ASN 19 -6.955 -6.572 -0.159 132 H CYS 20 HN CYS 20 -4.482 -4.604 3.928 133 HA CYS 20 HA CYS 20 -3.345 -3.872 1.523 134 HB2 CYS 20 HB2 CYS 20 -2.344 -2.014 2.826 135 HB3 CYS 20 HB1 CYS 20 -4.065 -2.204 2.987 136 H ASN 21 HN ASN 21 -1.708 -4.859 4.498 137 HA ASN 21 HA ASN 21 0.898 -4.622 3.688 138 HB2 ASN 21 HB2 ASN 21 -0.457 -6.507 5.554 139 HB3 ASN 21 HB1 ASN 21 1.239 -6.761 5.183 140 HD21 ASN 21 HD21 ASN 21 -0.054 -3.563 5.208 141 HD22 ASN 21 HD22 ASN 21 0.672 -3.056 6.693 142 H LYS 22 HN LYS 22 -0.978 -7.655 3.458 143 HA LYS 22 HA LYS 22 1.088 -9.040 2.206 144 HB2 LYS 22 HB2 LYS 22 -1.014 -10.501 1.391 145 HB3 LYS 22 HB1 LYS 22 -0.300 -10.605 2.989 146 HG2 LYS 22 HG2 LYS 22 -2.022 -9.139 3.879 147 HG3 LYS 22 HG1 LYS 22 -2.732 -8.959 2.266 148 HD2 LYS 22 HD2 LYS 22 -3.367 -11.237 2.194 149 HD3 LYS 22 HD1 LYS 22 -2.340 -11.651 3.563 150 HE2 LYS 22 HE2 LYS 22 -4.741 -9.846 3.743 151 HE3 LYS 22 HE1 LYS 22 -4.787 -11.573 4.070 152 HZ1 LYS 22 HZ1 LYS 22 -4.566 -10.294 6.101 153 HZ2 LYS 22 HZ2 LYS 22 -3.145 -9.577 5.531 154 HZ3 LYS 22 HZ3 LYS 22 -3.186 -11.236 5.846 155 H HIS 23 HN HIS 23 -1.285 -6.922 0.750 156 HA HIS 23 HA HIS 23 -0.992 -7.989 -1.878 157 HB2 HIS 23 HB2 HIS 23 -2.876 -6.468 -1.109 158 HB3 HIS 23 HB1 HIS 23 -1.734 -5.133 -1.246 159 HD1 HIS 23 HD1 HIS 23 -1.077 -4.370 -3.643 160 HD2 HIS 23 HD2 HIS 23 -3.763 -7.547 -3.555 161 HE1 HIS 23 HE1 HIS 23 -1.932 -4.599 -5.991 162 HE2 HIS 23 HE2 HIS 23 -3.505 -6.563 -5.936 163 H CYS 24 HN CYS 24 0.348 -5.017 -0.408 164 HA CYS 24 HA CYS 24 2.140 -4.497 -2.548 165 HB2 CYS 24 HB2 CYS 24 1.865 -3.488 0.249 166 HB3 CYS 24 HB1 CYS 24 3.402 -3.251 -0.564 167 H ARG 25 HN ARG 25 2.286 -6.808 0.031 168 HA ARG 25 HA ARG 25 5.174 -7.015 -0.153 169 HB2 ARG 25 HB2 ARG 25 3.260 -8.813 1.303 170 HB3 ARG 25 HB1 ARG 25 5.008 -8.877 1.407 171 HG2 ARG 25 HG2 ARG 25 3.085 -7.079 2.684 172 HG3 ARG 25 HG1 ARG 25 4.620 -7.710 3.272 173 HD2 ARG 25 HD2 ARG 25 5.795 -6.045 1.813 174 HD3 ARG 25 HD1 ARG 25 4.225 -5.426 1.349 175 HE ARG 25 HE ARG 25 3.959 -4.535 3.495 176 HH11 ARG 25 HH11 ARG 25 6.987 -6.250 3.185 177 HH12 ARG 25 HH12 ARG 25 7.532 -5.848 4.779 178 HH21 ARG 25 HH21 ARG 25 4.668 -4.004 5.615 179 HH22 ARG 25 HH22 ARG 25 6.220 -4.565 6.155 180 H ASN 26 HN ASN 26 2.384 -9.060 -0.996 181 HA ASN 26 HA ASN 26 4.093 -11.135 -1.999 182 HB2 ASN 26 HB2 ASN 26 1.120 -10.731 -1.974 183 HB3 ASN 26 HB1 ASN 26 1.842 -12.036 -2.904 184 HD21 ASN 26 HD21 ASN 26 1.234 -10.773 0.238 185 HD22 ASN 26 HD22 ASN 26 1.614 -12.206 1.129 186 H ASN 27 HN ASN 27 2.358 -8.450 -3.374 187 HA ASN 27 HA ASN 27 2.680 -9.465 -6.060 188 HB2 ASN 27 HB2 ASN 27 1.483 -6.895 -5.025 189 HB3 ASN 27 HB1 ASN 27 1.534 -7.348 -6.727 190 HD21 ASN 27 HD21 ASN 27 0.127 -8.002 -3.619 191 HD22 ASN 27 HD22 ASN 27 -1.158 -9.022 -4.198 192 H GLU 28 HN GLU 28 3.795 -6.575 -4.277 193 HA GLU 28 HA GLU 28 5.865 -6.313 -6.348 194 HB2 GLU 28 HB2 GLU 28 4.147 -4.479 -6.120 195 HB3 GLU 28 HB1 GLU 28 4.847 -4.114 -4.547 196 HG2 GLU 28 HG2 GLU 28 5.702 -2.630 -6.276 197 HG3 GLU 28 HG1 GLU 28 6.987 -3.635 -5.606 198 H HIS 29 HN HIS 29 5.271 -6.685 -2.983 199 HA HIS 29 HA HIS 29 6.563 -7.174 -1.239 200 HB2 HIS 29 HB2 HIS 29 7.783 -8.657 -2.898 201 HB3 HIS 29 HB1 HIS 29 8.978 -7.363 -3.027 202 HD1 HIS 29 HD1 HIS 29 7.271 -9.191 -0.165 203 HD2 HIS 29 HD2 HIS 29 11.019 -7.782 -1.278 204 HE1 HIS 29 HE1 HIS 29 8.749 -9.612 1.806 205 HE2 HIS 29 HE2 HIS 29 11.012 -8.716 1.138 206 H LEU 30 HN LEU 30 5.984 -4.741 -1.135 207 HA LEU 30 HA LEU 30 8.329 -3.052 -1.207 208 HB2 LEU 30 HB2 LEU 30 5.615 -2.342 -0.130 209 HB3 LEU 30 HB1 LEU 30 6.905 -1.248 -0.577 210 HG LEU 30 HG LEU 30 5.131 -2.865 -2.395 211 HD11 LEU 30 HD11 LEU 30 5.669 0.057 -1.987 212 HD12 LEU 30 HD12 LEU 30 4.149 -0.816 -1.783 213 HD13 LEU 30 HD13 LEU 30 4.819 -0.576 -3.396 214 HD21 LEU 30 HD21 LEU 30 7.404 -3.090 -3.231 215 HD22 LEU 30 HD22 LEU 30 7.620 -1.342 -3.147 216 HD23 LEU 30 HD23 LEU 30 6.452 -2.032 -4.273 217 H LEU 31 HN LEU 31 8.022 -1.412 0.950 218 HA LEU 31 HA LEU 31 9.379 -3.144 2.851 219 HB2 LEU 31 HB2 LEU 31 9.131 -0.154 2.968 220 HB3 LEU 31 HB1 LEU 31 10.358 -1.159 3.709 221 HG LEU 31 HG LEU 31 9.990 -0.575 0.788 222 HD11 LEU 31 HD11 LEU 31 12.226 0.007 2.734 223 HD12 LEU 31 HD12 LEU 31 11.127 1.185 2.014 224 HD13 LEU 31 HD13 LEU 31 12.288 0.327 1.002 225 HD21 LEU 31 HD21 LEU 31 11.861 -2.534 2.106 226 HD22 LEU 31 HD22 LEU 31 11.995 -1.986 0.434 227 HD23 LEU 31 HD23 LEU 31 10.569 -2.887 0.955 228 H SER 32 HN SER 32 6.834 -0.626 3.028 229 HA SER 32 HA SER 32 5.996 -1.840 5.584 230 HB2 SER 32 HB2 SER 32 5.485 0.787 4.258 231 HB3 SER 32 HB1 SER 32 4.368 0.193 5.468 232 HG SER 32 HG SER 32 6.554 1.508 5.903 233 H GLY 33 HN GLY 33 4.904 -1.095 2.390 234 HA2 GLY 33 HA2 GLY 33 3.557 -2.266 0.985 235 HA3 GLY 33 HA1 GLY 33 3.751 -3.615 2.080 236 H ARG 34 HN ARG 34 2.221 -0.624 3.073 237 HA ARG 34 HA ARG 34 -0.192 -2.072 3.690 238 HB2 ARG 34 HB2 ARG 34 1.242 0.214 4.560 239 HB3 ARG 34 HB1 ARG 34 -0.362 0.785 4.118 240 HG2 ARG 34 HG2 ARG 34 -1.209 -1.127 5.620 241 HG3 ARG 34 HG1 ARG 34 0.455 -1.229 6.197 242 HD2 ARG 34 HD2 ARG 34 0.377 0.875 7.190 243 HD3 ARG 34 HD1 ARG 34 -0.956 1.427 6.168 244 HE ARG 34 HE ARG 34 -1.705 -0.759 7.858 245 HH11 ARG 34 HH11 ARG 34 -1.133 2.697 7.938 246 HH12 ARG 34 HH12 ARG 34 -2.382 2.998 9.099 247 HH21 ARG 34 HH21 ARG 34 -3.342 -0.359 9.388 248 HH22 ARG 34 HH22 ARG 34 -3.643 1.266 9.920 249 H CYS 35 HN CYS 35 -0.896 -2.546 1.356 250 HA CYS 35 HA CYS 35 -1.924 -0.184 -0.016 251 HB2 CYS 35 HB2 CYS 35 -1.059 -1.179 -1.803 252 HB3 CYS 35 HB1 CYS 35 -0.892 -2.706 -0.950 253 H ARG 36 HN ARG 36 -3.942 0.506 0.309 254 HA ARG 36 HA ARG 36 -6.083 -1.476 -0.061 255 HB2 ARG 36 HB2 ARG 36 -6.627 0.883 1.657 256 HB3 ARG 36 HB1 ARG 36 -7.462 -0.652 1.571 257 HG2 ARG 36 HG2 ARG 36 -4.717 -0.679 2.572 258 HG3 ARG 36 HG1 ARG 36 -5.936 0.047 3.608 259 HD2 ARG 36 HD2 ARG 36 -5.561 -2.426 3.967 260 HD3 ARG 36 HD1 ARG 36 -7.217 -1.942 3.652 261 HE ARG 36 HE ARG 36 -5.474 -3.436 1.861 262 HH11 ARG 36 HH11 ARG 36 -8.493 -1.802 2.430 263 HH12 ARG 36 HH12 ARG 36 -9.358 -2.662 1.197 264 HH21 ARG 36 HH21 ARG 36 -6.621 -4.655 0.286 265 HH22 ARG 36 HH22 ARG 36 -8.286 -4.302 -0.021 266 H ASP 37 HN ASP 37 -8.184 -0.378 -0.476 267 HA ASP 37 HA ASP 37 -7.952 2.143 -1.983 268 HB2 ASP 37 HB2 ASP 37 -8.649 0.504 -3.534 269 HB3 ASP 37 HB1 ASP 37 -9.723 -0.261 -2.371 270 H ASP 38 HN ASP 38 -10.417 0.228 -0.243 271 HA ASP 38 HA ASP 38 -11.933 2.530 0.510 272 HB2 ASP 38 HB2 ASP 38 -13.026 0.356 0.226 273 HB3 ASP 38 HB1 ASP 38 -12.059 -0.317 1.541 274 H PHE 39 HN PHE 39 -9.974 0.231 2.311 275 HA PHE 39 HA PHE 39 -9.917 1.841 4.691 276 HB2 PHE 39 HB2 PHE 39 -8.310 -0.602 3.964 277 HB3 PHE 39 HB1 PHE 39 -8.417 0.107 5.560 278 HD1 PHE 39 HD1 PHE 39 -9.759 -2.317 3.347 279 HD2 PHE 39 HD2 PHE 39 -10.772 0.239 6.604 280 HE1 PHE 39 HE1 PHE 39 -11.708 -3.727 3.852 281 HE2 PHE 39 HE2 PHE 39 -12.717 -1.178 7.113 282 HZ PHE 39 HZ PHE 39 -13.187 -3.162 5.735 283 H ARG 40 HN ARG 40 -7.562 2.231 5.631 284 HA ARG 40 HA ARG 40 -6.090 3.501 3.418 285 HB2 ARG 40 HB2 ARG 40 -6.611 4.581 6.194 286 HB3 ARG 40 HB1 ARG 40 -5.526 5.329 5.034 287 HG2 ARG 40 HG2 ARG 40 -7.384 5.674 3.499 288 HG3 ARG 40 HG1 ARG 40 -8.479 4.902 4.646 289 HD2 ARG 40 HD2 ARG 40 -7.968 6.650 6.289 290 HD3 ARG 40 HD1 ARG 40 -6.898 7.425 5.121 291 HE ARG 40 HE ARG 40 -9.470 7.102 4.002 292 HH11 ARG 40 HH11 ARG 40 -7.782 9.004 6.412 293 HH12 ARG 40 HH12 ARG 40 -8.821 10.382 6.233 294 HH21 ARG 40 HH21 ARG 40 -10.841 8.910 3.775 295 HH22 ARG 40 HH22 ARG 40 -10.570 10.323 4.749 296 H CYS 41 HN CYS 41 -4.215 2.623 3.167 297 HA CYS 41 HA CYS 41 -2.569 1.964 5.490 298 HB2 CYS 41 HB2 CYS 41 -3.388 0.222 3.215 299 HB3 CYS 41 HB1 CYS 41 -1.835 -0.052 3.953 300 H TRP 42 HN TRP 42 -0.274 2.441 5.210 301 HA TRP 42 HA TRP 42 0.483 3.840 2.730 302 HB2 TRP 42 HB2 TRP 42 1.899 3.685 5.402 303 HB3 TRP 42 HB1 TRP 42 2.420 4.647 4.032 304 HD1 TRP 42 HD1 TRP 42 -0.442 4.503 6.626 305 HE1 TRP 42 HE1 TRP 42 -1.347 6.893 6.941 306 HE3 TRP 42 HE3 TRP 42 2.291 6.896 3.028 307 HZ2 TRP 42 HZ2 TRP 42 -0.960 9.445 5.800 308 HZ3 TRP 42 HZ3 TRP 42 1.966 9.296 2.702 309 HH2 TRP 42 HH2 TRP 42 0.370 10.551 4.051 310 H CYS 43 HN CYS 43 1.546 2.479 1.160 311 HA CYS 43 HA CYS 43 3.407 0.469 2.222 312 HB2 CYS 43 HB2 CYS 43 3.117 1.051 -0.733 313 HB3 CYS 43 HB1 CYS 43 3.804 -0.376 0.040 314 H THR 44 HN THR 44 5.393 0.997 2.695 315 HA THR 44 HA THR 44 6.700 3.308 1.528 316 HB THR 44 HB THR 44 7.910 1.315 3.442 317 HG1 THR 44 HG1 THR 44 6.354 3.613 4.118 318 HG21 THR 44 HG21 THR 44 9.110 3.406 4.208 319 HG22 THR 44 HG22 THR 44 8.469 4.195 2.764 320 HG23 THR 44 HG23 THR 44 9.540 2.803 2.610 321 H ASN 45 HN ASN 45 8.270 3.190 -0.028 322 HA ASN 45 HA ASN 45 9.831 0.804 -0.431 323 HB2 ASN 45 HB2 ASN 45 7.770 0.305 -1.730 324 HB3 ASN 45 HB1 ASN 45 8.052 1.756 -2.687 325 HD21 ASN 45 HD21 ASN 45 9.343 -1.395 -1.841 326 HD22 ASN 45 HD22 ASN 45 10.292 -1.598 -3.273 327 H ARG 46 HN ARG 46 11.417 1.190 -2.318 328 HA ARG 46 HA ARG 46 12.512 3.851 -1.875 329 HB2 ARG 46 HB2 ARG 46 13.713 1.448 -3.264 330 HB3 ARG 46 HB1 ARG 46 14.566 2.920 -2.816 331 HG2 ARG 46 HG2 ARG 46 14.879 2.224 -0.727 332 HG3 ARG 46 HG1 ARG 46 13.203 1.700 -0.565 333 HD2 ARG 46 HD2 ARG 46 13.756 -0.351 -1.815 334 HD3 ARG 46 HD1 ARG 46 15.441 0.164 -1.875 335 HE ARG 46 HE ARG 46 14.933 0.202 0.764 336 HH11 ARG 46 HH11 ARG 46 14.388 -2.212 -1.707 337 HH12 ARG 46 HH12 ARG 46 14.501 -3.549 -0.610 338 HH21 ARG 46 HH21 ARG 46 15.089 -1.547 2.219 339 HH22 ARG 46 HH22 ARG 46 14.916 -3.173 1.632 340 H CYS 47 HN CYS 47 12.223 5.431 -3.305 341 HA CYS 47 HA CYS 47 11.678 4.688 -6.095 342 HB2 CYS 47 HB2 CYS 47 10.370 6.696 -6.342 343 HB3 CYS 47 HB1 CYS 47 9.784 5.823 -4.934 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 12.022 6.214 7.382 2 H2 LYS 1 HT2 LYS 1 12.291 7.417 6.223 3 H3 LYS 1 HT3 LYS 1 13.317 6.073 6.303 4 HA LYS 1 HA LYS 1 11.517 4.614 5.669 5 HB2 LYS 1 HB2 LYS 1 9.982 7.208 5.579 6 HB3 LYS 1 HB1 LYS 1 9.461 5.779 4.707 7 HG2 LYS 1 HG2 LYS 1 9.168 4.574 6.757 8 HG3 LYS 1 HG1 LYS 1 9.845 5.915 7.685 9 HD2 LYS 1 HD2 LYS 1 8.007 7.349 7.026 10 HD3 LYS 1 HD1 LYS 1 7.357 6.083 5.986 11 HE2 LYS 1 HE2 LYS 1 7.701 5.767 8.960 12 HE3 LYS 1 HE1 LYS 1 6.220 6.370 8.219 13 HZ1 LYS 1 HZ1 LYS 1 6.076 4.009 8.658 14 HZ2 LYS 1 HZ2 LYS 1 7.452 3.715 7.723 15 HZ3 LYS 1 HZ3 LYS 1 6.038 4.293 6.987 16 H THR 2 HN THR 2 10.876 4.297 3.442 17 HA THR 2 HA THR 2 12.211 6.074 1.530 18 HB THR 2 HB THR 2 11.893 4.337 -0.152 19 HG1 THR 2 HG1 THR 2 10.142 3.208 0.437 20 HG21 THR 2 HG21 THR 2 13.167 3.271 2.366 21 HG22 THR 2 HG22 THR 2 13.945 4.317 1.180 22 HG23 THR 2 HG23 THR 2 13.458 2.683 0.727 23 H CYS 3 HN CYS 3 10.758 5.903 -0.666 24 HA CYS 3 HA CYS 3 8.749 7.769 -0.306 25 HB2 CYS 3 HB2 CYS 3 8.780 5.737 -2.544 26 HB3 CYS 3 HB1 CYS 3 8.144 7.379 -2.590 27 H GLU 4 HN GLU 4 6.909 7.592 0.760 28 HA GLU 4 HA GLU 4 5.457 5.033 0.716 29 HB2 GLU 4 HB2 GLU 4 6.646 5.197 2.834 30 HB3 GLU 4 HB1 GLU 4 6.017 6.815 3.095 31 HG2 GLU 4 HG2 GLU 4 3.708 5.768 3.084 32 HG3 GLU 4 HG1 GLU 4 4.529 4.208 3.191 33 H ASN 5 HN ASN 5 3.213 5.190 0.740 34 HA ASN 5 HA ASN 5 2.035 7.766 1.352 35 HB2 ASN 5 HB2 ASN 5 0.783 8.036 -0.637 36 HB3 ASN 5 HB1 ASN 5 2.435 7.748 -1.142 37 HD21 ASN 5 HD21 ASN 5 -0.779 6.503 -1.005 38 HD22 ASN 5 HD22 ASN 5 -0.544 5.192 -2.113 39 H LEU 6 HN LEU 6 -0.129 7.667 1.833 40 HA LEU 6 HA LEU 6 -1.044 5.048 2.696 41 HB2 LEU 6 HB2 LEU 6 -1.197 7.501 3.873 42 HB3 LEU 6 HB1 LEU 6 -2.776 7.397 3.117 43 HG LEU 6 HG LEU 6 -1.601 5.535 5.210 44 HD11 LEU 6 HD11 LEU 6 -2.613 7.649 5.997 45 HD12 LEU 6 HD12 LEU 6 -3.527 6.230 6.508 46 HD13 LEU 6 HD13 LEU 6 -4.112 7.222 5.173 47 HD21 LEU 6 HD21 LEU 6 -3.944 5.181 3.391 48 HD22 LEU 6 HD22 LEU 6 -3.928 4.489 5.013 49 HD23 LEU 6 HD23 LEU 6 -2.677 4.029 3.850 50 H SER 7 HN SER 7 -2.309 3.896 1.427 51 HA SER 7 HA SER 7 -3.240 5.044 -1.030 52 HB2 SER 7 HB2 SER 7 -3.623 2.239 0.021 53 HB3 SER 7 HB1 SER 7 -3.758 2.780 -1.650 54 HG SER 7 HG SER 7 -1.362 3.263 -0.301 55 H GLY 8 HN GLY 8 -5.274 5.508 -1.595 56 HA2 GLY 8 HA2 GLY 8 -7.652 4.530 -0.875 57 HA3 GLY 8 HA1 GLY 8 -7.280 5.563 0.502 58 H THR 9 HN THR 9 -8.696 7.205 0.234 59 HA THR 9 HA THR 9 -9.376 8.235 -2.317 60 HB THR 9 HB THR 9 -10.990 8.382 -0.530 61 HG1 THR 9 HG1 THR 9 -10.432 10.298 -2.159 62 HG21 THR 9 HG21 THR 9 -9.397 8.648 1.346 63 HG22 THR 9 HG22 THR 9 -10.714 9.819 1.398 64 HG23 THR 9 HG23 THR 9 -9.118 10.312 0.836 65 H PHE 10 HN PHE 10 -7.228 9.473 0.275 66 HA PHE 10 HA PHE 10 -6.317 11.533 -1.559 67 HB2 PHE 10 HB2 PHE 10 -4.899 12.299 0.357 68 HB3 PHE 10 HB1 PHE 10 -6.625 12.356 0.671 69 HD1 PHE 10 HD1 PHE 10 -3.475 11.278 1.852 70 HD2 PHE 10 HD2 PHE 10 -7.620 10.373 1.976 71 HE1 PHE 10 HE1 PHE 10 -3.130 10.013 3.934 72 HE2 PHE 10 HE2 PHE 10 -7.292 9.104 4.056 73 HZ PHE 10 HZ PHE 10 -5.043 8.927 5.041 74 H LYS 11 HN LYS 11 -4.092 11.660 -2.192 75 HA LYS 11 HA LYS 11 -2.163 10.774 -3.021 76 HB2 LYS 11 HB2 LYS 11 -2.583 8.673 -0.878 77 HB3 LYS 11 HB1 LYS 11 -1.118 8.859 -1.831 78 HG2 LYS 11 HG2 LYS 11 -0.426 10.675 -0.670 79 HG3 LYS 11 HG1 LYS 11 -2.068 11.243 -0.367 80 HD2 LYS 11 HD2 LYS 11 -2.350 9.833 1.465 81 HD3 LYS 11 HD1 LYS 11 -1.077 8.750 0.945 82 HE2 LYS 11 HE2 LYS 11 -0.474 10.136 2.916 83 HE3 LYS 11 HE1 LYS 11 0.609 10.356 1.547 84 HZ1 LYS 11 HZ1 LYS 11 -0.598 12.389 0.984 85 HZ2 LYS 11 HZ2 LYS 11 0.059 12.467 2.541 86 HZ3 LYS 11 HZ3 LYS 11 -1.593 12.184 2.336 87 H GLY 12 HN GLY 12 -1.538 7.942 -3.331 88 HA2 GLY 12 HA2 GLY 12 -3.343 7.372 -5.520 89 HA3 GLY 12 HA1 GLY 12 -1.905 6.460 -5.096 90 HA PRO 13 HA PRO 13 -5.681 4.264 -3.301 91 HB2 PRO 13 HB2 PRO 13 -7.001 3.182 -5.345 92 HB3 PRO 13 HB1 PRO 13 -7.299 4.856 -4.864 93 HG2 PRO 13 HG2 PRO 13 -5.660 3.797 -7.132 94 HG3 PRO 13 HG1 PRO 13 -6.762 5.185 -7.105 95 HD2 PRO 13 HD2 PRO 13 -4.004 5.328 -6.853 96 HD3 PRO 13 HD1 PRO 13 -5.142 6.581 -6.323 97 H CYS 14 HN CYS 14 -6.349 1.752 -4.261 98 HA CYS 14 HA CYS 14 -4.105 0.335 -5.260 99 HB2 CYS 14 HB2 CYS 14 -3.792 1.011 -2.617 100 HB3 CYS 14 HB1 CYS 14 -4.496 -0.596 -2.502 101 H ILE 15 HN ILE 15 -6.202 -0.833 -2.638 102 HA ILE 15 HA ILE 15 -7.925 -2.254 -4.502 103 HB ILE 15 HB ILE 15 -7.480 -4.448 -3.384 104 HG12 ILE 15 HG12 ILE 15 -4.979 -3.071 -2.397 105 HG13 ILE 15 HG11 ILE 15 -6.371 -3.451 -1.389 106 HG21 ILE 15 HG21 ILE 15 -5.191 -3.232 -4.921 107 HG22 ILE 15 HG22 ILE 15 -6.601 -4.051 -5.596 108 HG23 ILE 15 HG23 ILE 15 -5.424 -4.958 -4.646 109 HD11 ILE 15 HD11 ILE 15 -4.645 -5.434 -2.835 110 HD12 ILE 15 HD12 ILE 15 -6.039 -5.817 -1.825 111 HD13 ILE 15 HD13 ILE 15 -4.607 -5.077 -1.111 112 HA PRO 16 HA PRO 16 -10.533 -1.676 -0.963 113 HB2 PRO 16 HB2 PRO 16 -12.794 -2.698 -1.916 114 HB3 PRO 16 HB1 PRO 16 -12.061 -1.272 -2.659 115 HG2 PRO 16 HG2 PRO 16 -12.072 -4.098 -3.593 116 HG3 PRO 16 HG1 PRO 16 -12.148 -2.603 -4.538 117 HD2 PRO 16 HD2 PRO 16 -9.855 -4.164 -4.052 118 HD3 PRO 16 HD1 PRO 16 -9.889 -2.525 -4.726 119 H ASP 17 HN ASP 17 -9.085 -4.530 -1.454 120 HA ASP 17 HA ASP 17 -11.029 -6.324 -0.312 121 HB2 ASP 17 HB2 ASP 17 -8.123 -6.755 -0.994 122 HB3 ASP 17 HB1 ASP 17 -9.239 -8.021 -0.500 123 H GLY 18 HN GLY 18 -8.410 -4.416 0.954 124 HA2 GLY 18 HA2 GLY 18 -8.329 -3.827 3.236 125 HA3 GLY 18 HA1 GLY 18 -9.260 -5.257 3.623 126 H ASN 19 HN ASN 19 -7.024 -6.413 1.678 127 HA ASN 19 HA ASN 19 -5.336 -7.288 3.880 128 HB2 ASN 19 HB2 ASN 19 -4.506 -8.840 1.921 129 HB3 ASN 19 HB1 ASN 19 -6.047 -9.150 2.709 130 HD21 ASN 19 HD21 ASN 19 -5.479 -6.520 0.476 131 HD22 ASN 19 HD22 ASN 19 -6.545 -7.087 -0.751 132 H CYS 20 HN CYS 20 -4.560 -4.914 3.695 133 HA CYS 20 HA CYS 20 -3.186 -4.080 1.443 134 HB2 CYS 20 HB2 CYS 20 -2.440 -2.214 2.773 135 HB3 CYS 20 HB1 CYS 20 -4.137 -2.529 3.058 136 H ASN 21 HN ASN 21 -1.921 -5.364 4.505 137 HA ASN 21 HA ASN 21 0.762 -4.861 3.932 138 HB2 ASN 21 HB2 ASN 21 -0.614 -6.767 5.777 139 HB3 ASN 21 HB1 ASN 21 1.131 -6.840 5.589 140 HD21 ASN 21 HD21 ASN 21 -0.445 -3.811 5.236 141 HD22 ASN 21 HD22 ASN 21 0.007 -3.144 6.765 142 H LYS 22 HN LYS 22 -1.088 -7.852 3.484 143 HA LYS 22 HA LYS 22 1.156 -9.279 2.478 144 HB2 LYS 22 HB2 LYS 22 -0.341 -11.087 2.114 145 HB3 LYS 22 HB1 LYS 22 -0.902 -10.282 3.572 146 HG2 LYS 22 HG2 LYS 22 -2.664 -9.177 2.315 147 HG3 LYS 22 HG1 LYS 22 -2.054 -9.891 0.826 148 HD2 LYS 22 HD2 LYS 22 -3.803 -11.286 1.357 149 HD3 LYS 22 HD1 LYS 22 -2.434 -12.142 2.057 150 HE2 LYS 22 HE2 LYS 22 -4.316 -10.327 3.564 151 HE3 LYS 22 HE1 LYS 22 -4.408 -12.083 3.543 152 HZ1 LYS 22 HZ1 LYS 22 -3.307 -11.376 5.521 153 HZ2 LYS 22 HZ2 LYS 22 -2.207 -10.437 4.654 154 HZ3 LYS 22 HZ3 LYS 22 -2.161 -12.120 4.528 155 H HIS 23 HN HIS 23 -1.298 -7.269 0.960 156 HA HIS 23 HA HIS 23 -1.017 -8.355 -1.634 157 HB2 HIS 23 HB2 HIS 23 -2.886 -6.819 -0.873 158 HB3 HIS 23 HB1 HIS 23 -1.751 -5.486 -1.074 159 HD1 HIS 23 HD1 HIS 23 -1.434 -4.589 -3.413 160 HD2 HIS 23 HD2 HIS 23 -3.496 -8.198 -3.340 161 HE1 HIS 23 HE1 HIS 23 -2.277 -4.938 -5.754 162 HE2 HIS 23 HE2 HIS 23 -3.368 -7.211 -5.722 163 H CYS 24 HN CYS 24 0.486 -5.473 -0.148 164 HA CYS 24 HA CYS 24 2.182 -4.925 -2.327 165 HB2 CYS 24 HB2 CYS 24 2.223 -4.247 0.578 166 HB3 CYS 24 HB1 CYS 24 3.704 -4.028 -0.344 167 H ARG 25 HN ARG 25 2.865 -6.740 0.679 168 HA ARG 25 HA ARG 25 5.488 -7.229 -0.060 169 HB2 ARG 25 HB2 ARG 25 3.734 -8.006 2.142 170 HB3 ARG 25 HB1 ARG 25 5.159 -9.010 1.887 171 HG2 ARG 25 HG2 ARG 25 5.943 -7.302 3.276 172 HG3 ARG 25 HG1 ARG 25 6.377 -6.801 1.637 173 HD2 ARG 25 HD2 ARG 25 5.432 -4.837 2.466 174 HD3 ARG 25 HD1 ARG 25 4.126 -5.661 1.594 175 HE ARG 25 HE ARG 25 2.997 -5.912 3.562 176 HH11 ARG 25 HH11 ARG 25 6.370 -5.287 4.292 177 HH12 ARG 25 HH12 ARG 25 6.127 -5.253 6.007 178 HH21 ARG 25 HH21 ARG 25 2.690 -5.879 5.848 179 HH22 ARG 25 HH22 ARG 25 4.040 -5.579 6.886 180 H ASN 26 HN ASN 26 2.684 -9.287 -0.448 181 HA ASN 26 HA ASN 26 4.323 -11.537 -1.196 182 HB2 ASN 26 HB2 ASN 26 1.355 -11.076 -1.192 183 HB3 ASN 26 HB1 ASN 26 2.049 -12.494 -1.967 184 HD21 ASN 26 HD21 ASN 26 1.512 -10.848 1.004 185 HD22 ASN 26 HD22 ASN 26 1.859 -12.173 2.060 186 H ASN 27 HN ASN 27 2.477 -9.057 -2.851 187 HA ASN 27 HA ASN 27 2.823 -10.386 -5.397 188 HB2 ASN 27 HB2 ASN 27 1.446 -7.792 -4.691 189 HB3 ASN 27 HB1 ASN 27 1.455 -8.521 -6.293 190 HD21 ASN 27 HD21 ASN 27 0.213 -8.706 -3.063 191 HD22 ASN 27 HD22 ASN 27 -1.001 -9.908 -3.380 192 H GLU 28 HN GLU 28 3.800 -7.237 -3.988 193 HA GLU 28 HA GLU 28 5.736 -7.025 -6.201 194 HB2 GLU 28 HB2 GLU 28 3.951 -5.263 -6.047 195 HB3 GLU 28 HB1 GLU 28 4.652 -4.764 -4.514 196 HG2 GLU 28 HG2 GLU 28 5.424 -3.302 -6.233 197 HG3 GLU 28 HG1 GLU 28 6.778 -4.295 -5.694 198 H HIS 29 HN HIS 29 5.342 -7.072 -2.753 199 HA HIS 29 HA HIS 29 6.785 -7.431 -1.102 200 HB2 HIS 29 HB2 HIS 29 7.975 -8.916 -2.841 201 HB3 HIS 29 HB1 HIS 29 9.150 -7.595 -2.924 202 HD1 HIS 29 HD1 HIS 29 7.373 -9.421 -0.115 203 HD2 HIS 29 HD2 HIS 29 11.158 -8.043 -1.130 204 HE1 HIS 29 HE1 HIS 29 8.772 -9.764 1.929 205 HE2 HIS 29 HE2 HIS 29 11.121 -9.182 1.197 206 H LEU 30 HN LEU 30 6.085 -5.039 -1.094 207 HA LEU 30 HA LEU 30 8.365 -3.265 -1.357 208 HB2 LEU 30 HB2 LEU 30 5.627 -2.558 -0.329 209 HB3 LEU 30 HB1 LEU 30 6.886 -1.460 -0.855 210 HG LEU 30 HG LEU 30 5.110 -3.210 -2.531 211 HD11 LEU 30 HD11 LEU 30 4.702 -1.101 -3.705 212 HD12 LEU 30 HD12 LEU 30 5.798 -0.282 -2.593 213 HD13 LEU 30 HD13 LEU 30 4.297 -0.986 -1.988 214 HD21 LEU 30 HD21 LEU 30 7.373 -3.589 -3.344 215 HD22 LEU 30 HD22 LEU 30 7.641 -1.847 -3.439 216 HD23 LEU 30 HD23 LEU 30 6.445 -2.614 -4.484 217 H LEU 31 HN LEU 31 7.993 -1.488 0.739 218 HA LEU 31 HA LEU 31 9.453 -3.122 2.663 219 HB2 LEU 31 HB2 LEU 31 9.105 -0.135 2.710 220 HB3 LEU 31 HB1 LEU 31 10.372 -1.081 3.468 221 HG LEU 31 HG LEU 31 9.966 -0.574 0.539 222 HD11 LEU 31 HD11 LEU 31 12.212 0.094 2.442 223 HD12 LEU 31 HD12 LEU 31 11.073 1.233 1.721 224 HD13 LEU 31 HD13 LEU 31 12.239 0.384 0.704 225 HD21 LEU 31 HD21 LEU 31 12.001 -1.942 0.188 226 HD22 LEU 31 HD22 LEU 31 10.603 -2.867 0.735 227 HD23 LEU 31 HD23 LEU 31 11.894 -2.465 1.869 228 H SER 32 HN SER 32 6.851 -0.665 2.855 229 HA SER 32 HA SER 32 6.225 -1.697 5.543 230 HB2 SER 32 HB2 SER 32 5.428 0.725 3.978 231 HB3 SER 32 HB1 SER 32 4.515 0.230 5.387 232 HG SER 32 HG SER 32 6.511 1.754 5.486 233 H GLY 33 HN GLY 33 4.906 -1.304 2.403 234 HA2 GLY 33 HA2 GLY 33 3.542 -2.623 1.189 235 HA3 GLY 33 HA1 GLY 33 3.831 -3.867 2.378 236 H ARG 34 HN ARG 34 2.191 -0.851 3.278 237 HA ARG 34 HA ARG 34 -0.157 -2.504 3.742 238 HB2 ARG 34 HB2 ARG 34 -0.130 0.469 4.269 239 HB3 ARG 34 HB1 ARG 34 -0.998 -0.818 5.101 240 HG2 ARG 34 HG2 ARG 34 0.997 -1.531 6.230 241 HG3 ARG 34 HG1 ARG 34 1.954 -0.334 5.345 242 HD2 ARG 34 HD2 ARG 34 1.461 0.662 7.457 243 HD3 ARG 34 HD1 ARG 34 0.394 1.434 6.287 244 HE ARG 34 HE ARG 34 -0.906 -0.791 7.445 245 HH11 ARG 34 HH11 ARG 34 0.165 2.439 8.295 246 HH12 ARG 34 HH12 ARG 34 -1.118 2.692 9.434 247 HH21 ARG 34 HH21 ARG 34 -2.557 -0.471 8.960 248 HH22 ARG 34 HH22 ARG 34 -2.670 1.039 9.811 249 H CYS 35 HN CYS 35 -0.675 -2.909 1.434 250 HA CYS 35 HA CYS 35 -1.672 -0.578 -0.013 251 HB2 CYS 35 HB2 CYS 35 -0.360 -1.790 -1.473 252 HB3 CYS 35 HB1 CYS 35 -0.927 -3.334 -0.851 253 H ARG 36 HN ARG 36 -3.709 0.033 0.547 254 HA ARG 36 HA ARG 36 -5.730 -1.485 -0.740 255 HB2 ARG 36 HB2 ARG 36 -7.329 -1.677 1.150 256 HB3 ARG 36 HB1 ARG 36 -5.947 -2.731 1.313 257 HG2 ARG 36 HG2 ARG 36 -4.982 -0.917 2.812 258 HG3 ARG 36 HG1 ARG 36 -6.603 -0.250 2.842 259 HD2 ARG 36 HD2 ARG 36 -7.432 -2.425 3.662 260 HD3 ARG 36 HD1 ARG 36 -5.788 -3.035 3.717 261 HE ARG 36 HE ARG 36 -5.840 -0.690 5.207 262 HH11 ARG 36 HH11 ARG 36 -7.280 -3.892 5.413 263 HH12 ARG 36 HH12 ARG 36 -7.497 -3.803 7.130 264 HH21 ARG 36 HH21 ARG 36 -6.134 -0.611 7.465 265 HH22 ARG 36 HH22 ARG 36 -6.834 -1.970 8.285 266 H ASP 37 HN ASP 37 -7.867 -0.323 -0.652 267 HA ASP 37 HA ASP 37 -7.293 2.566 -0.712 268 HB2 ASP 37 HB2 ASP 37 -7.305 2.003 -2.959 269 HB3 ASP 37 HB1 ASP 37 -8.540 0.768 -2.753 270 H ASP 38 HN ASP 38 -10.120 0.359 -0.944 271 HA ASP 38 HA ASP 38 -12.006 2.117 0.117 272 HB2 ASP 38 HB2 ASP 38 -12.611 -0.040 -0.921 273 HB3 ASP 38 HB1 ASP 38 -11.907 -0.894 0.447 274 H PHE 39 HN PHE 39 -9.772 -0.084 1.671 275 HA PHE 39 HA PHE 39 -10.191 1.341 4.212 276 HB2 PHE 39 HB2 PHE 39 -8.533 -1.124 3.758 277 HB3 PHE 39 HB1 PHE 39 -9.115 -0.503 5.285 278 HD1 PHE 39 HD1 PHE 39 -11.611 -0.549 5.711 279 HD2 PHE 39 HD2 PHE 39 -9.750 -2.755 2.560 280 HE1 PHE 39 HE1 PHE 39 -13.577 -2.016 5.580 281 HE2 PHE 39 HE2 PHE 39 -11.724 -4.215 2.436 282 HZ PHE 39 HZ PHE 39 -13.636 -3.852 3.942 283 H ARG 40 HN ARG 40 -7.888 1.799 5.295 284 HA ARG 40 HA ARG 40 -6.303 2.870 3.049 285 HB2 ARG 40 HB2 ARG 40 -6.889 4.222 5.687 286 HB3 ARG 40 HB1 ARG 40 -5.878 4.878 4.404 287 HG2 ARG 40 HG2 ARG 40 -7.780 4.978 2.912 288 HG3 ARG 40 HG1 ARG 40 -8.808 4.237 4.139 289 HD2 ARG 40 HD2 ARG 40 -8.338 6.163 5.622 290 HD3 ARG 40 HD1 ARG 40 -7.433 6.913 4.307 291 HE ARG 40 HE ARG 40 -9.960 6.292 3.325 292 HH11 ARG 40 HH11 ARG 40 -8.530 8.373 5.746 293 HH12 ARG 40 HH12 ARG 40 -9.792 9.563 5.661 294 HH21 ARG 40 HH21 ARG 40 -11.643 7.845 3.220 295 HH22 ARG 40 HH22 ARG 40 -11.569 9.258 4.225 296 H CYS 41 HN CYS 41 -4.319 2.204 2.975 297 HA CYS 41 HA CYS 41 -2.868 1.668 5.461 298 HB2 CYS 41 HB2 CYS 41 -3.577 -0.158 3.316 299 HB3 CYS 41 HB1 CYS 41 -1.901 -0.243 3.777 300 H TRP 42 HN TRP 42 -0.672 2.254 5.490 301 HA TRP 42 HA TRP 42 0.392 3.849 3.296 302 HB2 TRP 42 HB2 TRP 42 1.586 3.091 5.975 303 HB3 TRP 42 HB1 TRP 42 2.373 4.136 4.810 304 HD1 TRP 42 HD1 TRP 42 -0.294 4.122 7.506 305 HE1 TRP 42 HE1 TRP 42 -1.012 6.549 7.986 306 HE3 TRP 42 HE3 TRP 42 2.108 6.467 3.654 307 HZ2 TRP 42 HZ2 TRP 42 -0.615 9.116 6.866 308 HZ3 TRP 42 HZ3 TRP 42 1.891 8.892 3.427 309 HH2 TRP 42 HH2 TRP 42 0.548 10.195 4.989 310 H CYS 43 HN CYS 43 1.216 2.563 1.536 311 HA CYS 43 HA CYS 43 3.087 0.445 2.361 312 HB2 CYS 43 HB2 CYS 43 1.329 -0.216 0.731 313 HB3 CYS 43 HB1 CYS 43 2.037 0.896 -0.445 314 H THR 44 HN THR 44 5.168 0.638 2.152 315 HA THR 44 HA THR 44 6.258 3.132 1.049 316 HB THR 44 HB THR 44 7.518 1.302 3.096 317 HG1 THR 44 HG1 THR 44 6.370 3.757 3.819 318 HG21 THR 44 HG21 THR 44 8.147 4.078 2.118 319 HG22 THR 44 HG22 THR 44 9.190 2.654 2.149 320 HG23 THR 44 HG23 THR 44 8.748 3.455 3.655 321 H ASN 45 HN ASN 45 7.836 3.061 -0.466 322 HA ASN 45 HA ASN 45 9.589 0.803 -0.762 323 HB2 ASN 45 HB2 ASN 45 7.587 0.083 -2.061 324 HB3 ASN 45 HB1 ASN 45 7.766 1.504 -3.079 325 HD21 ASN 45 HD21 ASN 45 9.244 -1.527 -2.115 326 HD22 ASN 45 HD22 ASN 45 10.202 -1.723 -3.540 327 H ARG 46 HN ARG 46 10.914 1.343 -3.004 328 HA ARG 46 HA ARG 46 11.956 4.017 -2.429 329 HB2 ARG 46 HB2 ARG 46 13.193 1.811 -4.085 330 HB3 ARG 46 HB1 ARG 46 13.991 3.254 -3.476 331 HG2 ARG 46 HG2 ARG 46 14.351 2.357 -1.459 332 HG3 ARG 46 HG1 ARG 46 12.762 1.593 -1.403 333 HD2 ARG 46 HD2 ARG 46 13.565 -0.144 -2.937 334 HD3 ARG 46 HD1 ARG 46 15.163 0.602 -2.935 335 HE ARG 46 HE ARG 46 14.811 0.161 -0.337 336 HH11 ARG 46 HH11 ARG 46 14.234 -1.912 -3.093 337 HH12 ARG 46 HH12 ARG 46 14.528 -3.381 -2.218 338 HH21 ARG 46 HH21 ARG 46 15.197 -1.768 0.828 339 HH22 ARG 46 HH22 ARG 46 15.079 -3.298 0.016 340 H CYS 47 HN CYS 47 11.755 5.653 -3.858 341 HA CYS 47 HA CYS 47 10.919 4.963 -6.592 342 HB2 CYS 47 HB2 CYS 47 9.593 6.984 -6.689 343 HB3 CYS 47 HB1 CYS 47 9.097 6.036 -5.295 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 12.307 7.535 6.407 2 H2 LYS 1 HT2 LYS 1 13.678 6.553 6.350 3 H3 LYS 1 HT3 LYS 1 12.570 6.380 7.615 4 HA LYS 1 HA LYS 1 12.314 4.607 6.033 5 HB2 LYS 1 HB2 LYS 1 9.915 4.892 5.521 6 HB3 LYS 1 HB1 LYS 1 10.296 5.338 7.175 7 HG2 LYS 1 HG2 LYS 1 10.157 7.656 6.659 8 HG3 LYS 1 HG1 LYS 1 10.036 7.319 4.935 9 HD2 LYS 1 HD2 LYS 1 7.850 7.880 5.838 10 HD3 LYS 1 HD1 LYS 1 7.883 6.196 5.317 11 HE2 LYS 1 HE2 LYS 1 6.732 6.383 7.435 12 HE3 LYS 1 HE1 LYS 1 8.243 5.504 7.652 13 HZ1 LYS 1 HZ1 LYS 1 9.253 7.500 8.531 14 HZ2 LYS 1 HZ2 LYS 1 7.861 7.125 9.411 15 HZ3 LYS 1 HZ3 LYS 1 7.831 8.376 8.276 16 H THR 2 HN THR 2 10.867 4.348 3.873 17 HA THR 2 HA THR 2 12.366 5.788 1.815 18 HB THR 2 HB THR 2 11.347 3.875 0.387 19 HG1 THR 2 HG1 THR 2 11.578 2.310 2.656 20 HG21 THR 2 HG21 THR 2 13.552 3.361 2.380 21 HG22 THR 2 HG22 THR 2 13.740 4.199 0.840 22 HG23 THR 2 HG23 THR 2 13.301 2.490 0.864 23 H CYS 3 HN CYS 3 10.958 5.763 -0.351 24 HA CYS 3 HA CYS 3 9.108 7.816 -0.064 25 HB2 CYS 3 HB2 CYS 3 9.070 5.810 -2.326 26 HB3 CYS 3 HB1 CYS 3 8.597 7.506 -2.381 27 H GLU 4 HN GLU 4 7.163 7.781 0.861 28 HA GLU 4 HA GLU 4 5.697 5.234 0.877 29 HB2 GLU 4 HB2 GLU 4 6.869 5.622 3.030 30 HB3 GLU 4 HB1 GLU 4 5.994 7.136 3.204 31 HG2 GLU 4 HG2 GLU 4 3.866 5.828 3.145 32 HG3 GLU 4 HG1 GLU 4 4.843 4.355 3.200 33 H ASN 5 HN ASN 5 3.540 5.349 0.620 34 HA ASN 5 HA ASN 5 2.242 7.930 0.981 35 HB2 ASN 5 HB2 ASN 5 1.159 7.959 -1.093 36 HB3 ASN 5 HB1 ASN 5 2.815 7.559 -1.473 37 HD21 ASN 5 HD21 ASN 5 -0.430 6.388 -1.209 38 HD22 ASN 5 HD22 ASN 5 -0.210 4.955 -2.164 39 H LEU 6 HN LEU 6 0.086 7.808 1.408 40 HA LEU 6 HA LEU 6 -0.796 5.242 2.465 41 HB2 LEU 6 HB2 LEU 6 -1.004 7.773 3.452 42 HB3 LEU 6 HB1 LEU 6 -2.574 7.579 2.694 43 HG LEU 6 HG LEU 6 -1.375 5.849 4.894 44 HD11 LEU 6 HD11 LEU 6 -2.298 7.998 5.630 45 HD12 LEU 6 HD12 LEU 6 -3.306 6.655 6.168 46 HD13 LEU 6 HD13 LEU 6 -3.815 7.647 4.803 47 HD21 LEU 6 HD21 LEU 6 -3.776 5.461 3.150 48 HD22 LEU 6 HD22 LEU 6 -3.728 4.846 4.803 49 HD23 LEU 6 HD23 LEU 6 -2.519 4.306 3.631 50 H SER 7 HN SER 7 -2.102 3.974 1.327 51 HA SER 7 HA SER 7 -2.993 4.944 -1.253 52 HB2 SER 7 HB2 SER 7 -3.111 2.155 -0.096 53 HB3 SER 7 HB1 SER 7 -3.277 2.610 -1.789 54 HG SER 7 HG SER 7 -0.977 3.525 -0.609 55 H GLY 8 HN GLY 8 -5.065 5.058 -1.945 56 HA2 GLY 8 HA2 GLY 8 -7.351 3.937 -1.391 57 HA3 GLY 8 HA1 GLY 8 -7.164 4.858 0.096 58 H THR 9 HN THR 9 -8.476 6.580 0.005 59 HA THR 9 HA THR 9 -9.028 7.993 -2.420 60 HB THR 9 HB THR 9 -10.517 8.044 -0.379 61 HG1 THR 9 HG1 THR 9 -10.688 10.510 -0.535 62 HG21 THR 9 HG21 THR 9 -8.354 9.872 0.668 63 HG22 THR 9 HG22 THR 9 -8.843 8.320 1.348 64 HG23 THR 9 HG23 THR 9 -9.955 9.687 1.385 65 H PHE 10 HN PHE 10 -6.619 7.987 0.002 66 HA PHE 10 HA PHE 10 -5.357 10.447 -0.861 67 HB2 PHE 10 HB2 PHE 10 -5.026 8.515 1.368 68 HB3 PHE 10 HB1 PHE 10 -3.573 9.346 0.827 69 HD1 PHE 10 HD1 PHE 10 -3.151 11.534 1.416 70 HD2 PHE 10 HD2 PHE 10 -6.993 9.887 2.134 71 HE1 PHE 10 HE1 PHE 10 -3.738 13.512 2.762 72 HE2 PHE 10 HE2 PHE 10 -7.597 11.854 3.482 73 HZ PHE 10 HZ PHE 10 -5.967 13.672 3.799 74 H LYS 11 HN LYS 11 -3.598 10.566 -2.132 75 HA LYS 11 HA LYS 11 -1.840 10.007 -3.444 76 HB2 LYS 11 HB2 LYS 11 -1.503 8.067 -1.164 77 HB3 LYS 11 HB1 LYS 11 -0.301 8.270 -2.426 78 HG2 LYS 11 HG2 LYS 11 0.462 9.601 -0.670 79 HG3 LYS 11 HG1 LYS 11 -0.280 10.739 -1.776 80 HD2 LYS 11 HD2 LYS 11 -2.282 10.758 -0.375 81 HD3 LYS 11 HD1 LYS 11 -1.524 9.630 0.755 82 HE2 LYS 11 HE2 LYS 11 -1.334 11.924 1.566 83 HE3 LYS 11 HE1 LYS 11 0.252 11.268 1.172 84 HZ1 LYS 11 HZ1 LYS 11 -0.061 13.554 0.385 85 HZ2 LYS 11 HZ2 LYS 11 -1.328 13.041 -0.609 86 HZ3 LYS 11 HZ3 LYS 11 0.242 12.481 -0.883 87 H GLY 12 HN GLY 12 -4.328 8.668 -4.183 88 HA2 GLY 12 HA2 GLY 12 -4.707 7.341 -6.079 89 HA3 GLY 12 HA1 GLY 12 -3.122 6.622 -5.874 90 HA PRO 13 HA PRO 13 -6.658 4.070 -3.813 91 HB2 PRO 13 HB2 PRO 13 -7.392 2.783 -6.308 92 HB3 PRO 13 HB1 PRO 13 -8.413 3.660 -5.165 93 HG2 PRO 13 HG2 PRO 13 -7.821 4.580 -7.659 94 HG3 PRO 13 HG1 PRO 13 -8.179 5.641 -6.286 95 HD2 PRO 13 HD2 PRO 13 -5.534 4.895 -7.467 96 HD3 PRO 13 HD1 PRO 13 -6.102 6.465 -6.863 97 H CYS 14 HN CYS 14 -7.010 1.446 -4.488 98 HA CYS 14 HA CYS 14 -4.578 0.237 -5.355 99 HB2 CYS 14 HB2 CYS 14 -4.458 1.198 -2.792 100 HB3 CYS 14 HB1 CYS 14 -4.946 -0.468 -2.530 101 H ILE 15 HN ILE 15 -6.994 -0.695 -2.836 102 HA ILE 15 HA ILE 15 -8.090 -2.824 -4.459 103 HB ILE 15 HB ILE 15 -7.324 -4.539 -2.657 104 HG12 ILE 15 HG12 ILE 15 -5.087 -2.514 -2.498 105 HG13 ILE 15 HG11 ILE 15 -6.244 -2.823 -1.205 106 HG21 ILE 15 HG21 ILE 15 -6.754 -4.732 -5.002 107 HG22 ILE 15 HG22 ILE 15 -5.364 -5.143 -3.997 108 HG23 ILE 15 HG23 ILE 15 -5.441 -3.574 -4.798 109 HD11 ILE 15 HD11 ILE 15 -5.444 -5.121 -1.057 110 HD12 ILE 15 HD12 ILE 15 -4.140 -3.966 -0.808 111 HD13 ILE 15 HD13 ILE 15 -4.287 -4.815 -2.346 112 HA PRO 16 HA PRO 16 -11.004 -2.492 -1.076 113 HB2 PRO 16 HB2 PRO 16 -12.854 -4.197 -1.935 114 HB3 PRO 16 HB1 PRO 16 -12.380 -2.807 -2.918 115 HG2 PRO 16 HG2 PRO 16 -11.734 -5.680 -3.280 116 HG3 PRO 16 HG1 PRO 16 -11.886 -4.401 -4.494 117 HD2 PRO 16 HD2 PRO 16 -9.485 -5.405 -3.259 118 HD3 PRO 16 HD1 PRO 16 -9.635 -4.129 -4.484 119 H ASP 17 HN ASP 17 -9.091 -5.307 -1.087 120 HA ASP 17 HA ASP 17 -10.766 -7.074 0.392 121 HB2 ASP 17 HB2 ASP 17 -7.762 -7.196 0.145 122 HB3 ASP 17 HB1 ASP 17 -8.853 -8.524 0.519 123 H GLY 18 HN GLY 18 -8.538 -4.585 1.481 124 HA2 GLY 18 HA2 GLY 18 -8.531 -3.657 3.618 125 HA3 GLY 18 HA1 GLY 18 -9.464 -5.019 4.211 126 H ASN 19 HN ASN 19 -7.138 -6.566 2.731 127 HA ASN 19 HA ASN 19 -5.482 -7.177 4.879 128 HB2 ASN 19 HB2 ASN 19 -3.972 -8.162 3.197 129 HB3 ASN 19 HB1 ASN 19 -5.646 -8.625 2.957 130 HD21 ASN 19 HD21 ASN 19 -6.424 -6.115 1.680 131 HD22 ASN 19 HD22 ASN 19 -5.742 -6.165 0.100 132 H CYS 20 HN CYS 20 -4.827 -5.032 2.162 133 HA CYS 20 HA CYS 20 -3.306 -3.570 1.619 134 HB2 CYS 20 HB2 CYS 20 -2.715 -1.871 3.020 135 HB3 CYS 20 HB1 CYS 20 -4.220 -2.430 3.704 136 H ASN 21 HN ASN 21 -1.820 -5.007 4.495 137 HA ASN 21 HA ASN 21 0.764 -4.648 3.558 138 HB2 ASN 21 HB2 ASN 21 -0.361 -6.512 5.614 139 HB3 ASN 21 HB1 ASN 21 1.356 -6.500 5.238 140 HD21 ASN 21 HD21 ASN 21 1.222 -3.598 4.658 141 HD22 ASN 21 HD22 ASN 21 1.183 -2.859 6.218 142 H LYS 22 HN LYS 22 -1.031 -7.746 3.583 143 HA LYS 22 HA LYS 22 1.061 -9.181 2.438 144 HB2 LYS 22 HB2 LYS 22 -0.438 -10.984 2.138 145 HB3 LYS 22 HB1 LYS 22 -0.978 -10.141 3.582 146 HG2 LYS 22 HG2 LYS 22 -2.696 -9.007 2.230 147 HG3 LYS 22 HG1 LYS 22 -2.177 -9.935 0.833 148 HD2 LYS 22 HD2 LYS 22 -4.089 -11.006 1.744 149 HD3 LYS 22 HD1 LYS 22 -2.686 -12.005 2.119 150 HE2 LYS 22 HE2 LYS 22 -2.630 -11.029 4.383 151 HE3 LYS 22 HE1 LYS 22 -4.074 -10.088 3.998 152 HZ1 LYS 22 HZ1 LYS 22 -4.626 -12.095 5.218 153 HZ2 LYS 22 HZ2 LYS 22 -3.891 -13.053 4.037 154 HZ3 LYS 22 HZ3 LYS 22 -5.275 -12.164 3.658 155 H HIS 23 HN HIS 23 -1.391 -7.200 0.868 156 HA HIS 23 HA HIS 23 -1.020 -8.265 -1.725 157 HB2 HIS 23 HB2 HIS 23 -2.897 -6.708 -1.048 158 HB3 HIS 23 HB1 HIS 23 -1.729 -5.390 -1.104 159 HD1 HIS 23 HD1 HIS 23 -1.006 -4.541 -3.441 160 HD2 HIS 23 HD2 HIS 23 -3.628 -7.769 -3.557 161 HE1 HIS 23 HE1 HIS 23 -1.756 -4.720 -5.831 162 HE2 HIS 23 HE2 HIS 23 -3.243 -6.752 -5.904 163 H CYS 24 HN CYS 24 0.211 -5.164 -0.445 164 HA CYS 24 HA CYS 24 1.981 -4.646 -2.533 165 HB2 CYS 24 HB2 CYS 24 1.792 -3.796 0.290 166 HB3 CYS 24 HB1 CYS 24 3.355 -3.609 -0.474 167 H ARG 25 HN ARG 25 2.360 -6.727 0.256 168 HA ARG 25 HA ARG 25 5.238 -6.774 -0.043 169 HB2 ARG 25 HB2 ARG 25 3.478 -8.141 1.979 170 HB3 ARG 25 HB1 ARG 25 5.228 -8.017 2.037 171 HG2 ARG 25 HG2 ARG 25 3.362 -5.680 2.027 172 HG3 ARG 25 HG1 ARG 25 4.080 -6.378 3.484 173 HD2 ARG 25 HD2 ARG 25 5.949 -5.726 1.310 174 HD3 ARG 25 HD1 ARG 25 5.186 -4.332 2.078 175 HE ARG 25 HE ARG 25 6.243 -4.905 4.106 176 HH11 ARG 25 HH11 ARG 25 7.090 -7.166 1.563 177 HH12 ARG 25 HH12 ARG 25 8.468 -7.786 2.410 178 HH21 ARG 25 HH21 ARG 25 8.054 -5.725 5.201 179 HH22 ARG 25 HH22 ARG 25 9.018 -6.966 4.463 180 H ASN 26 HN ASN 26 2.551 -8.901 -0.759 181 HA ASN 26 HA ASN 26 4.330 -11.208 -0.878 182 HB2 ASN 26 HB2 ASN 26 1.376 -10.886 -1.348 183 HB3 ASN 26 HB1 ASN 26 2.218 -12.373 -1.740 184 HD21 ASN 26 HD21 ASN 26 3.227 -10.477 0.963 185 HD22 ASN 26 HD22 ASN 26 2.626 -11.527 2.197 186 H ASN 27 HN ASN 27 2.403 -9.294 -3.158 187 HA ASN 27 HA ASN 27 3.546 -10.789 -5.376 188 HB2 ASN 27 HB2 ASN 27 2.075 -9.075 -6.714 189 HB3 ASN 27 HB1 ASN 27 1.317 -10.406 -5.842 190 HD21 ASN 27 HD21 ASN 27 0.260 -10.007 -3.912 191 HD22 ASN 27 HD22 ASN 27 -0.171 -8.412 -3.394 192 H GLU 28 HN GLU 28 3.558 -7.369 -4.271 193 HA GLU 28 HA GLU 28 5.600 -6.840 -6.298 194 HB2 GLU 28 HB2 GLU 28 3.551 -5.316 -5.703 195 HB3 GLU 28 HB1 GLU 28 4.589 -4.756 -4.399 196 HG2 GLU 28 HG2 GLU 28 4.790 -3.283 -6.285 197 HG3 GLU 28 HG1 GLU 28 6.308 -4.154 -6.055 198 H HIS 29 HN HIS 29 5.268 -7.282 -2.888 199 HA HIS 29 HA HIS 29 6.734 -7.489 -1.210 200 HB2 HIS 29 HB2 HIS 29 7.884 -8.945 -3.004 201 HB3 HIS 29 HB1 HIS 29 8.992 -7.591 -3.203 202 HD1 HIS 29 HD1 HIS 29 10.507 -6.997 -1.123 203 HD2 HIS 29 HD2 HIS 29 8.303 -10.508 -0.769 204 HE1 HIS 29 HE1 HIS 29 11.473 -8.213 0.851 205 HE2 HIS 29 HE2 HIS 29 10.138 -10.340 1.044 206 H LEU 30 HN LEU 30 5.948 -4.992 -1.495 207 HA LEU 30 HA LEU 30 8.199 -3.226 -1.761 208 HB2 LEU 30 HB2 LEU 30 5.496 -2.582 -0.601 209 HB3 LEU 30 HB1 LEU 30 6.723 -1.437 -1.106 210 HG LEU 30 HG LEU 30 4.914 -3.127 -2.802 211 HD11 LEU 30 HD11 LEU 30 4.190 -0.866 -2.186 212 HD12 LEU 30 HD12 LEU 30 4.499 -1.009 -3.919 213 HD13 LEU 30 HD13 LEU 30 5.678 -0.215 -2.877 214 HD21 LEU 30 HD21 LEU 30 6.227 -2.554 -4.764 215 HD22 LEU 30 HD22 LEU 30 7.172 -3.532 -3.643 216 HD23 LEU 30 HD23 LEU 30 7.444 -1.794 -3.744 217 H LEU 31 HN LEU 31 7.820 -1.445 0.401 218 HA LEU 31 HA LEU 31 9.423 -3.032 2.243 219 HB2 LEU 31 HB2 LEU 31 9.036 -0.056 2.173 220 HB3 LEU 31 HB1 LEU 31 10.299 -0.935 3.014 221 HG LEU 31 HG LEU 31 9.930 -0.621 0.053 222 HD11 LEU 31 HD11 LEU 31 11.079 1.191 1.177 223 HD12 LEU 31 HD12 LEU 31 12.192 0.281 0.153 224 HD13 LEU 31 HD13 LEU 31 12.207 0.042 1.899 225 HD21 LEU 31 HD21 LEU 31 11.911 -2.082 -0.202 226 HD22 LEU 31 HD22 LEU 31 10.467 -2.915 0.374 227 HD23 LEU 31 HD23 LEU 31 11.762 -2.511 1.505 228 H SER 32 HN SER 32 6.798 -0.604 2.618 229 HA SER 32 HA SER 32 6.222 -1.887 5.217 230 HB2 SER 32 HB2 SER 32 5.664 0.784 4.042 231 HB3 SER 32 HB1 SER 32 4.476 0.131 5.161 232 HG SER 32 HG SER 32 5.863 0.336 6.774 233 H GLY 33 HN GLY 33 4.868 -1.176 2.141 234 HA2 GLY 33 HA2 GLY 33 3.385 -2.308 0.874 235 HA3 GLY 33 HA1 GLY 33 3.625 -3.664 1.947 236 H ARG 34 HN ARG 34 2.172 -0.588 3.010 237 HA ARG 34 HA ARG 34 -0.210 -2.147 3.587 238 HB2 ARG 34 HB2 ARG 34 0.028 0.820 4.071 239 HB3 ARG 34 HB1 ARG 34 -0.923 -0.378 4.930 240 HG2 ARG 34 HG2 ARG 34 0.997 -1.237 6.050 241 HG3 ARG 34 HG1 ARG 34 2.068 -0.202 5.097 242 HD2 ARG 34 HD2 ARG 34 1.786 0.974 7.129 243 HD3 ARG 34 HD1 ARG 34 0.690 1.762 5.999 244 HE ARG 34 HE ARG 34 -0.699 -0.270 7.369 245 HH11 ARG 34 HH11 ARG 34 0.783 2.835 7.987 246 HH12 ARG 34 HH12 ARG 34 -0.378 3.296 9.190 247 HH21 ARG 34 HH21 ARG 34 -2.232 0.334 8.972 248 HH22 ARG 34 HH22 ARG 34 -2.085 1.880 9.748 249 H CYS 35 HN CYS 35 -0.916 -2.548 1.357 250 HA CYS 35 HA CYS 35 -1.803 -0.214 -0.177 251 HB2 CYS 35 HB2 CYS 35 -0.620 -1.675 -1.546 252 HB3 CYS 35 HB1 CYS 35 -1.356 -3.097 -0.831 253 H ARG 36 HN ARG 36 -3.844 0.561 0.156 254 HA ARG 36 HA ARG 36 -6.087 -1.330 0.076 255 HB2 ARG 36 HB2 ARG 36 -5.951 0.987 1.966 256 HB3 ARG 36 HB1 ARG 36 -7.293 -0.112 1.788 257 HG2 ARG 36 HG2 ARG 36 -4.641 -1.147 2.568 258 HG3 ARG 36 HG1 ARG 36 -5.653 -0.343 3.771 259 HD2 ARG 36 HD2 ARG 36 -5.990 -2.788 3.753 260 HD3 ARG 36 HD1 ARG 36 -7.447 -1.900 3.339 261 HE ARG 36 HE ARG 36 -5.796 -3.466 1.515 262 HH11 ARG 36 HH11 ARG 36 -8.558 -1.418 2.058 263 HH12 ARG 36 HH12 ARG 36 -9.475 -2.040 0.717 264 HH21 ARG 36 HH21 ARG 36 -6.980 -4.345 -0.217 265 HH22 ARG 36 HH22 ARG 36 -8.544 -3.692 -0.594 266 H ASP 37 HN ASP 37 -8.155 -0.329 -0.493 267 HA ASP 37 HA ASP 37 -7.919 2.311 -1.803 268 HB2 ASP 37 HB2 ASP 37 -8.538 0.568 -3.389 269 HB3 ASP 37 HB1 ASP 37 -9.859 0.056 -2.350 270 H ASP 38 HN ASP 38 -10.546 0.330 -0.474 271 HA ASP 38 HA ASP 38 -12.159 2.436 0.438 272 HB2 ASP 38 HB2 ASP 38 -12.522 0.175 2.146 273 HB3 ASP 38 HB1 ASP 38 -13.547 0.708 0.816 274 H PHE 39 HN PHE 39 -10.175 0.221 2.265 275 HA PHE 39 HA PHE 39 -10.056 1.889 4.607 276 HB2 PHE 39 HB2 PHE 39 -8.370 -0.526 3.980 277 HB3 PHE 39 HB1 PHE 39 -8.784 0.108 5.560 278 HD1 PHE 39 HD1 PHE 39 -9.614 -2.247 3.049 279 HD2 PHE 39 HD2 PHE 39 -11.290 0.091 6.196 280 HE1 PHE 39 HE1 PHE 39 -11.569 -3.744 3.131 281 HE2 PHE 39 HE2 PHE 39 -13.238 -1.408 6.281 282 HZ PHE 39 HZ PHE 39 -13.379 -3.326 4.745 283 H ARG 40 HN ARG 40 -7.711 2.354 5.492 284 HA ARG 40 HA ARG 40 -6.132 3.233 3.178 285 HB2 ARG 40 HB2 ARG 40 -5.624 5.323 4.276 286 HB3 ARG 40 HB1 ARG 40 -7.365 5.123 4.191 287 HG2 ARG 40 HG2 ARG 40 -7.235 4.268 6.575 288 HG3 ARG 40 HG1 ARG 40 -5.579 4.873 6.590 289 HD2 ARG 40 HD2 ARG 40 -8.137 6.414 6.274 290 HD3 ARG 40 HD1 ARG 40 -6.883 6.606 7.498 291 HE ARG 40 HE ARG 40 -6.192 7.145 4.711 292 HH11 ARG 40 HH11 ARG 40 -6.860 8.377 7.918 293 HH12 ARG 40 HH12 ARG 40 -6.251 9.963 7.568 294 HH21 ARG 40 HH21 ARG 40 -5.389 9.220 4.260 295 HH22 ARG 40 HH22 ARG 40 -5.404 10.438 5.494 296 H CYS 41 HN CYS 41 -4.226 2.428 3.129 297 HA CYS 41 HA CYS 41 -2.752 1.947 5.613 298 HB2 CYS 41 HB2 CYS 41 -3.804 0.003 3.832 299 HB3 CYS 41 HB1 CYS 41 -2.063 -0.039 3.661 300 H TRP 42 HN TRP 42 -0.528 2.555 5.504 301 HA TRP 42 HA TRP 42 0.389 4.071 3.199 302 HB2 TRP 42 HB2 TRP 42 1.754 3.390 5.811 303 HB3 TRP 42 HB1 TRP 42 2.475 4.391 4.567 304 HD1 TRP 42 HD1 TRP 42 -0.103 4.474 7.362 305 HE1 TRP 42 HE1 TRP 42 -0.786 6.921 7.788 306 HE3 TRP 42 HE3 TRP 42 2.225 6.677 3.386 307 HZ2 TRP 42 HZ2 TRP 42 -0.395 9.447 6.580 308 HZ3 TRP 42 HZ3 TRP 42 2.022 9.096 3.087 309 HH2 TRP 42 HH2 TRP 42 0.732 10.459 4.640 310 H CYS 43 HN CYS 43 1.073 2.768 1.399 311 HA CYS 43 HA CYS 43 2.898 0.569 2.057 312 HB2 CYS 43 HB2 CYS 43 1.107 0.179 0.342 313 HB3 CYS 43 HB1 CYS 43 1.957 1.303 -0.721 314 H THR 44 HN THR 44 4.997 0.736 1.954 315 HA THR 44 HA THR 44 6.157 3.235 0.952 316 HB THR 44 HB THR 44 7.432 1.363 2.937 317 HG1 THR 44 HG1 THR 44 6.269 3.599 4.001 318 HG21 THR 44 HG21 THR 44 9.017 2.878 2.155 319 HG22 THR 44 HG22 THR 44 8.440 3.599 3.660 320 HG23 THR 44 HG23 THR 44 7.862 4.209 2.109 321 H ASN 45 HN ASN 45 7.873 3.214 -0.401 322 HA ASN 45 HA ASN 45 9.338 0.780 -0.976 323 HB2 ASN 45 HB2 ASN 45 7.360 0.661 -2.474 324 HB3 ASN 45 HB1 ASN 45 7.801 2.223 -3.150 325 HD21 ASN 45 HD21 ASN 45 8.698 -1.133 -2.874 326 HD22 ASN 45 HD22 ASN 45 9.726 -1.175 -4.261 327 H ARG 46 HN ARG 46 11.276 1.269 -2.311 328 HA ARG 46 HA ARG 46 12.134 4.005 -1.811 329 HB2 ARG 46 HB2 ARG 46 14.352 2.865 -2.835 330 HB3 ARG 46 HB1 ARG 46 13.931 2.830 -1.135 331 HG2 ARG 46 HG2 ARG 46 14.539 0.648 -1.627 332 HG3 ARG 46 HG1 ARG 46 12.779 0.619 -1.638 333 HD2 ARG 46 HD2 ARG 46 12.821 0.845 -4.089 334 HD3 ARG 46 HD1 ARG 46 14.580 0.766 -4.044 335 HE ARG 46 HE ARG 46 13.709 -1.480 -2.720 336 HH11 ARG 46 HH11 ARG 46 13.355 -0.141 -5.937 337 HH12 ARG 46 HH12 ARG 46 13.177 -1.691 -6.694 338 HH21 ARG 46 HH21 ARG 46 13.495 -3.509 -3.705 339 HH22 ARG 46 HH22 ARG 46 13.256 -3.616 -5.421 340 H CYS 47 HN CYS 47 12.021 5.498 -3.290 341 HA CYS 47 HA CYS 47 11.710 4.665 -6.083 342 HB2 CYS 47 HB2 CYS 47 10.454 6.706 -6.445 343 HB3 CYS 47 HB1 CYS 47 9.766 5.830 -5.085 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 14.229 4.372 6.259 2 H2 LYS 1 HT2 LYS 1 14.077 5.879 5.505 3 H3 LYS 1 HT3 LYS 1 14.928 4.634 4.739 4 HA LYS 1 HA LYS 1 12.920 3.331 4.550 5 HB2 LYS 1 HB2 LYS 1 11.768 4.202 6.519 6 HB3 LYS 1 HB1 LYS 1 11.643 5.786 5.774 7 HG2 LYS 1 HG2 LYS 1 10.205 4.809 4.032 8 HG3 LYS 1 HG1 LYS 1 10.290 3.264 4.878 9 HD2 LYS 1 HD2 LYS 1 8.230 4.354 5.458 10 HD3 LYS 1 HD1 LYS 1 9.286 4.346 6.867 11 HE2 LYS 1 HE2 LYS 1 9.231 6.715 5.038 12 HE3 LYS 1 HE1 LYS 1 7.961 6.499 6.239 13 HZ1 LYS 1 HZ1 LYS 1 9.786 6.339 7.925 14 HZ2 LYS 1 HZ2 LYS 1 9.608 7.856 7.205 15 HZ3 LYS 1 HZ3 LYS 1 10.866 6.843 6.725 16 H THR 2 HN THR 2 11.462 3.643 2.745 17 HA THR 2 HA THR 2 12.451 5.701 0.912 18 HB THR 2 HB THR 2 11.656 4.291 -0.901 19 HG1 THR 2 HG1 THR 2 9.948 3.174 -0.192 20 HG21 THR 2 HG21 THR 2 13.895 3.878 -0.029 21 HG22 THR 2 HG22 THR 2 13.150 2.380 -0.588 22 HG23 THR 2 HG23 THR 2 13.231 2.736 1.138 23 H CYS 3 HN CYS 3 10.577 5.985 -0.875 24 HA CYS 3 HA CYS 3 8.864 7.852 0.295 25 HB2 CYS 3 HB2 CYS 3 8.216 6.541 -2.325 26 HB3 CYS 3 HB1 CYS 3 8.057 8.232 -1.856 27 H GLU 4 HN GLU 4 7.203 7.452 1.584 28 HA GLU 4 HA GLU 4 5.589 5.054 1.063 29 HB2 GLU 4 HB2 GLU 4 6.753 4.783 3.162 30 HB3 GLU 4 HB1 GLU 4 6.225 6.379 3.702 31 HG2 GLU 4 HG2 GLU 4 3.854 5.559 3.556 32 HG3 GLU 4 HG1 GLU 4 4.496 3.944 3.269 33 H ASN 5 HN ASN 5 3.417 5.253 0.977 34 HA ASN 5 HA ASN 5 2.239 7.748 1.889 35 HB2 ASN 5 HB2 ASN 5 1.033 8.193 -0.118 36 HB3 ASN 5 HB1 ASN 5 2.724 8.030 -0.549 37 HD21 ASN 5 HD21 ASN 5 -0.426 6.588 -0.685 38 HD22 ASN 5 HD22 ASN 5 -0.073 5.458 -1.955 39 H LEU 6 HN LEU 6 0.055 7.654 2.240 40 HA LEU 6 HA LEU 6 -0.990 5.019 2.854 41 HB2 LEU 6 HB2 LEU 6 -1.213 7.443 4.081 42 HB3 LEU 6 HB1 LEU 6 -2.692 7.422 3.141 43 HG LEU 6 HG LEU 6 -1.856 5.457 5.295 44 HD11 LEU 6 HD11 LEU 6 -3.897 6.240 6.383 45 HD12 LEU 6 HD12 LEU 6 -4.205 7.346 5.044 46 HD13 LEU 6 HD13 LEU 6 -2.793 7.581 6.076 47 HD21 LEU 6 HD21 LEU 6 -2.854 4.108 3.675 48 HD22 LEU 6 HD22 LEU 6 -4.092 5.322 3.301 49 HD23 LEU 6 HD23 LEU 6 -4.123 4.473 4.848 50 H SER 7 HN SER 7 -2.555 4.024 1.624 51 HA SER 7 HA SER 7 -3.138 5.314 -0.922 52 HB2 SER 7 HB2 SER 7 -3.550 2.445 -0.080 53 HB3 SER 7 HB1 SER 7 -3.619 3.094 -1.714 54 HG SER 7 HG SER 7 -1.292 3.648 -0.361 55 H GLY 8 HN GLY 8 -5.279 4.980 -1.883 56 HA2 GLY 8 HA2 GLY 8 -7.624 4.354 -1.541 57 HA3 GLY 8 HA1 GLY 8 -7.442 4.888 0.127 58 H THR 9 HN THR 9 -8.583 6.697 0.412 59 HA THR 9 HA THR 9 -8.970 8.683 -1.580 60 HB THR 9 HB THR 9 -10.441 8.450 0.416 61 HG1 THR 9 HG1 THR 9 -10.867 10.446 -0.104 62 HG21 THR 9 HG21 THR 9 -8.768 7.972 2.109 63 HG22 THR 9 HG22 THR 9 -9.686 9.406 2.567 64 HG23 THR 9 HG23 THR 9 -8.061 9.573 1.899 65 H PHE 10 HN PHE 10 -6.478 7.875 0.607 66 HA PHE 10 HA PHE 10 -5.083 10.404 0.427 67 HB2 PHE 10 HB2 PHE 10 -4.567 7.797 1.836 68 HB3 PHE 10 HB1 PHE 10 -3.317 9.027 1.714 69 HD1 PHE 10 HD1 PHE 10 -6.502 8.119 3.236 70 HD2 PHE 10 HD2 PHE 10 -3.489 11.094 2.904 71 HE1 PHE 10 HE1 PHE 10 -7.406 9.243 5.234 72 HE2 PHE 10 HE2 PHE 10 -4.384 12.232 4.900 73 HZ PHE 10 HZ PHE 10 -6.345 11.304 6.066 74 H LYS 11 HN LYS 11 -3.617 10.853 -1.072 75 HA LYS 11 HA LYS 11 -1.923 10.672 -2.570 76 HB2 LYS 11 HB2 LYS 11 -1.209 8.432 -0.681 77 HB3 LYS 11 HB1 LYS 11 -0.124 9.069 -1.901 78 HG2 LYS 11 HG2 LYS 11 0.539 10.124 0.057 79 HG3 LYS 11 HG1 LYS 11 -0.446 11.332 -0.749 80 HD2 LYS 11 HD2 LYS 11 -2.323 10.750 0.677 81 HD3 LYS 11 HD1 LYS 11 -1.368 9.504 1.479 82 HE2 LYS 11 HE2 LYS 11 -1.422 11.486 2.850 83 HE3 LYS 11 HE1 LYS 11 0.207 11.250 2.224 84 HZ1 LYS 11 HZ1 LYS 11 -1.789 13.114 1.063 85 HZ2 LYS 11 HZ2 LYS 11 -0.177 12.945 0.586 86 HZ3 LYS 11 HZ3 LYS 11 -0.544 13.568 2.114 87 H GLY 12 HN GLY 12 -4.301 9.141 -3.364 88 HA2 GLY 12 HA2 GLY 12 -4.537 8.112 -5.494 89 HA3 GLY 12 HA1 GLY 12 -2.932 7.426 -5.312 90 HA PRO 13 HA PRO 13 -6.533 4.579 -3.764 91 HB2 PRO 13 HB2 PRO 13 -6.785 3.455 -6.456 92 HB3 PRO 13 HB1 PRO 13 -8.039 4.068 -5.377 93 HG2 PRO 13 HG2 PRO 13 -7.332 5.370 -7.620 94 HG3 PRO 13 HG1 PRO 13 -7.841 6.226 -6.154 95 HD2 PRO 13 HD2 PRO 13 -5.073 5.741 -7.198 96 HD3 PRO 13 HD1 PRO 13 -5.777 7.221 -6.512 97 H CYS 14 HN CYS 14 -6.676 2.045 -4.414 98 HA CYS 14 HA CYS 14 -4.151 0.883 -5.122 99 HB2 CYS 14 HB2 CYS 14 -4.533 1.553 -2.407 100 HB3 CYS 14 HB1 CYS 14 -4.747 -0.186 -2.514 101 H ILE 15 HN ILE 15 -6.407 -0.500 -2.791 102 HA ILE 15 HA ILE 15 -7.791 -2.079 -4.787 103 HB ILE 15 HB ILE 15 -7.168 -4.239 -3.656 104 HG12 ILE 15 HG12 ILE 15 -5.017 -2.486 -2.461 105 HG13 ILE 15 HG11 ILE 15 -6.278 -3.354 -1.591 106 HG21 ILE 15 HG21 ILE 15 -4.931 -2.780 -5.053 107 HG22 ILE 15 HG22 ILE 15 -6.247 -3.660 -5.832 108 HG23 ILE 15 HG23 ILE 15 -5.058 -4.529 -4.860 109 HD11 ILE 15 HD11 ILE 15 -4.224 -4.523 -1.348 110 HD12 ILE 15 HD12 ILE 15 -3.966 -4.532 -3.092 111 HD13 ILE 15 HD13 ILE 15 -5.281 -5.468 -2.392 112 HA PRO 16 HA PRO 16 -10.695 -1.721 -1.482 113 HB2 PRO 16 HB2 PRO 16 -12.776 -2.976 -2.584 114 HB3 PRO 16 HB1 PRO 16 -12.130 -1.483 -3.276 115 HG2 PRO 16 HG2 PRO 16 -11.811 -4.295 -4.198 116 HG3 PRO 16 HG1 PRO 16 -11.928 -2.808 -5.151 117 HD2 PRO 16 HD2 PRO 16 -9.566 -4.183 -4.464 118 HD3 PRO 16 HD1 PRO 16 -9.673 -2.556 -5.157 119 H ASP 17 HN ASP 17 -9.219 -4.675 -2.114 120 HA ASP 17 HA ASP 17 -11.073 -6.422 -0.825 121 HB2 ASP 17 HB2 ASP 17 -8.156 -6.908 -1.445 122 HB3 ASP 17 HB1 ASP 17 -9.353 -8.136 -1.045 123 H GLY 18 HN GLY 18 -8.507 -4.424 0.332 124 HA2 GLY 18 HA2 GLY 18 -8.136 -3.771 2.508 125 HA3 GLY 18 HA1 GLY 18 -9.375 -4.894 3.028 126 H ASN 19 HN ASN 19 -6.456 -5.610 1.242 127 HA ASN 19 HA ASN 19 -5.615 -7.471 3.359 128 HB2 ASN 19 HB2 ASN 19 -4.719 -8.792 1.444 129 HB3 ASN 19 HB1 ASN 19 -6.465 -8.553 1.315 130 HD21 ASN 19 HD21 ASN 19 -7.140 -6.647 0.076 131 HD22 ASN 19 HD22 ASN 19 -6.217 -6.157 -1.292 132 H CYS 20 HN CYS 20 -4.862 -4.663 3.057 133 HA CYS 20 HA CYS 20 -3.180 -3.926 1.191 134 HB2 CYS 20 HB2 CYS 20 -2.254 -2.227 2.758 135 HB3 CYS 20 HB1 CYS 20 -4.006 -2.307 2.729 136 H ASN 21 HN ASN 21 -1.899 -5.143 4.309 137 HA ASN 21 HA ASN 21 0.780 -4.848 3.637 138 HB2 ASN 21 HB2 ASN 21 -0.631 -6.612 5.585 139 HB3 ASN 21 HB1 ASN 21 1.095 -6.799 5.341 140 HD21 ASN 21 HD21 ASN 21 1.400 -3.912 4.821 141 HD22 ASN 21 HD22 ASN 21 1.311 -3.180 6.378 142 H LYS 22 HN LYS 22 -1.211 -7.806 3.335 143 HA LYS 22 HA LYS 22 0.973 -9.267 2.286 144 HB2 LYS 22 HB2 LYS 22 -0.841 -10.923 1.547 145 HB3 LYS 22 HB1 LYS 22 -0.600 -10.653 3.260 146 HG2 LYS 22 HG2 LYS 22 -2.573 -9.273 3.364 147 HG3 LYS 22 HG1 LYS 22 -2.805 -9.394 1.615 148 HD2 LYS 22 HD2 LYS 22 -3.093 -11.804 1.810 149 HD3 LYS 22 HD1 LYS 22 -2.798 -11.726 3.543 150 HE2 LYS 22 HE2 LYS 22 -5.112 -10.452 2.086 151 HE3 LYS 22 HE1 LYS 22 -5.179 -11.939 3.021 152 HZ1 LYS 22 HZ1 LYS 22 -5.989 -10.021 4.264 153 HZ2 LYS 22 HZ2 LYS 22 -4.480 -9.276 4.127 154 HZ3 LYS 22 HZ3 LYS 22 -4.637 -10.712 5.003 155 H HIS 23 HN HIS 23 -1.372 -7.173 0.765 156 HA HIS 23 HA HIS 23 -1.041 -8.096 -1.874 157 HB2 HIS 23 HB2 HIS 23 -2.742 -6.414 -1.333 158 HB3 HIS 23 HB1 HIS 23 -1.478 -5.243 -0.963 159 HD1 HIS 23 HD1 HIS 23 -2.899 -7.172 -3.899 160 HD2 HIS 23 HD2 HIS 23 -0.501 -3.864 -3.136 161 HE1 HIS 23 HE1 HIS 23 -2.552 -6.062 -6.124 162 HE2 HIS 23 HE2 HIS 23 -0.967 -4.161 -5.662 163 H CYS 24 HN CYS 24 0.622 -5.370 -0.277 164 HA CYS 24 HA CYS 24 2.501 -5.047 -2.348 165 HB2 CYS 24 HB2 CYS 24 2.462 -4.252 0.540 166 HB3 CYS 24 HB1 CYS 24 3.890 -3.975 -0.441 167 H ARG 25 HN ARG 25 2.732 -6.671 0.801 168 HA ARG 25 HA ARG 25 5.535 -7.075 0.515 169 HB2 ARG 25 HB2 ARG 25 3.594 -8.235 2.501 170 HB3 ARG 25 HB1 ARG 25 5.339 -8.191 2.671 171 HG2 ARG 25 HG2 ARG 25 3.653 -5.751 2.339 172 HG3 ARG 25 HG1 ARG 25 4.087 -6.417 3.913 173 HD2 ARG 25 HD2 ARG 25 6.314 -6.023 2.022 174 HD3 ARG 25 HD1 ARG 25 5.548 -4.531 2.612 175 HE ARG 25 HE ARG 25 5.896 -5.692 4.915 176 HH11 ARG 25 HH11 ARG 25 8.169 -5.730 2.249 177 HH12 ARG 25 HH12 ARG 25 9.545 -6.001 3.274 178 HH21 ARG 25 HH21 ARG 25 7.702 -6.036 6.246 179 HH22 ARG 25 HH22 ARG 25 9.278 -6.177 5.539 180 H ASN 26 HN ASN 26 2.752 -9.103 -0.094 181 HA ASN 26 HA ASN 26 4.438 -11.478 -0.242 182 HB2 ASN 26 HB2 ASN 26 1.458 -11.079 -0.470 183 HB3 ASN 26 HB1 ASN 26 2.227 -12.602 -0.885 184 HD21 ASN 26 HD21 ASN 26 3.505 -10.662 1.664 185 HD22 ASN 26 HD22 ASN 26 2.997 -11.670 2.969 186 H ASN 27 HN ASN 27 2.619 -9.327 -2.337 187 HA ASN 27 HA ASN 27 3.172 -10.983 -4.640 188 HB2 ASN 27 HB2 ASN 27 1.768 -8.313 -4.467 189 HB3 ASN 27 HB1 ASN 27 1.867 -9.324 -5.904 190 HD21 ASN 27 HD21 ASN 27 0.435 -8.903 -2.787 191 HD22 ASN 27 HD22 ASN 27 -0.776 -10.130 -2.946 192 H GLU 28 HN GLU 28 4.030 -7.679 -3.563 193 HA GLU 28 HA GLU 28 5.947 -7.617 -5.796 194 HB2 GLU 28 HB2 GLU 28 4.027 -5.971 -5.784 195 HB3 GLU 28 HB1 GLU 28 4.787 -5.214 -4.392 196 HG2 GLU 28 HG2 GLU 28 5.290 -4.068 -6.499 197 HG3 GLU 28 HG1 GLU 28 6.734 -4.670 -5.687 198 H HIS 29 HN HIS 29 5.641 -7.320 -2.343 199 HA HIS 29 HA HIS 29 7.199 -7.558 -0.743 200 HB2 HIS 29 HB2 HIS 29 8.416 -8.945 -2.535 201 HB3 HIS 29 HB1 HIS 29 9.386 -7.507 -2.825 202 HD1 HIS 29 HD1 HIS 29 10.739 -6.628 -0.622 203 HD2 HIS 29 HD2 HIS 29 9.322 -10.531 -0.529 204 HE1 HIS 29 HE1 HIS 29 12.030 -7.769 1.205 205 HE2 HIS 29 HE2 HIS 29 11.056 -10.087 1.336 206 H LEU 30 HN LEU 30 6.178 -5.071 -1.406 207 HA LEU 30 HA LEU 30 8.289 -3.146 -1.577 208 HB2 LEU 30 HB2 LEU 30 5.533 -2.589 -0.516 209 HB3 LEU 30 HB1 LEU 30 6.668 -1.452 -1.197 210 HG LEU 30 HG LEU 30 4.963 -3.464 -2.624 211 HD11 LEU 30 HD11 LEU 30 4.080 -1.211 -2.137 212 HD12 LEU 30 HD12 LEU 30 4.258 -1.518 -3.871 213 HD13 LEU 30 HD13 LEU 30 5.441 -0.519 -3.022 214 HD21 LEU 30 HD21 LEU 30 7.356 -2.002 -3.738 215 HD22 LEU 30 HD22 LEU 30 6.169 -2.895 -4.688 216 HD23 LEU 30 HD23 LEU 30 7.198 -3.747 -3.535 217 H LEU 31 HN LEU 31 7.862 -1.300 0.429 218 HA LEU 31 HA LEU 31 9.383 -2.736 2.380 219 HB2 LEU 31 HB2 LEU 31 8.874 0.186 1.971 220 HB3 LEU 31 HB1 LEU 31 9.836 -0.451 3.288 221 HG LEU 31 HG LEU 31 11.046 -1.707 1.513 222 HD11 LEU 31 HD11 LEU 31 9.854 0.395 -0.167 223 HD12 LEU 31 HD12 LEU 31 9.567 -1.341 -0.273 224 HD13 LEU 31 HD13 LEU 31 11.158 -0.678 -0.664 225 HD21 LEU 31 HD21 LEU 31 11.950 0.193 2.831 226 HD22 LEU 31 HD22 LEU 31 11.361 1.263 1.550 227 HD23 LEU 31 HD23 LEU 31 12.628 0.086 1.204 228 H SER 32 HN SER 32 6.707 -0.428 2.632 229 HA SER 32 HA SER 32 6.220 -1.451 5.353 230 HB2 SER 32 HB2 SER 32 6.128 1.034 4.805 231 HB3 SER 32 HB1 SER 32 4.610 0.695 3.989 232 HG SER 32 HG SER 32 4.392 1.371 6.205 233 H GLY 33 HN GLY 33 4.921 -1.549 2.196 234 HA2 GLY 33 HA2 GLY 33 3.625 -3.092 1.227 235 HA3 GLY 33 HA1 GLY 33 3.703 -4.021 2.695 236 H ARG 34 HN ARG 34 2.331 -1.025 3.458 237 HA ARG 34 HA ARG 34 -0.222 -2.334 3.727 238 HB2 ARG 34 HB2 ARG 34 1.196 -0.159 4.896 239 HB3 ARG 34 HB1 ARG 34 -0.365 0.465 4.373 240 HG2 ARG 34 HG2 ARG 34 -1.414 -1.423 5.658 241 HG3 ARG 34 HG1 ARG 34 0.193 -1.816 6.267 242 HD2 ARG 34 HD2 ARG 34 0.374 0.269 7.392 243 HD3 ARG 34 HD1 ARG 34 -1.049 0.926 6.570 244 HE ARG 34 HE ARG 34 -2.271 -0.939 7.836 245 HH11 ARG 34 HH11 ARG 34 0.584 0.658 9.092 246 HH12 ARG 34 HH12 ARG 34 0.114 0.463 10.748 247 HH21 ARG 34 HH21 ARG 34 -2.893 -1.178 10.009 248 HH22 ARG 34 HH22 ARG 34 -1.868 -0.573 11.271 249 H CYS 35 HN CYS 35 -0.512 -2.569 1.225 250 HA CYS 35 HA CYS 35 -1.631 -0.107 0.100 251 HB2 CYS 35 HB2 CYS 35 -0.224 -1.062 -1.490 252 HB3 CYS 35 HB1 CYS 35 -0.800 -2.690 -1.154 253 H ARG 36 HN ARG 36 -3.721 0.297 0.731 254 HA ARG 36 HA ARG 36 -5.596 -1.309 -0.716 255 HB2 ARG 36 HB2 ARG 36 -7.233 -1.644 1.103 256 HB3 ARG 36 HB1 ARG 36 -5.791 -2.602 1.289 257 HG2 ARG 36 HG2 ARG 36 -5.028 -0.773 2.919 258 HG3 ARG 36 HG1 ARG 36 -6.711 -0.257 2.892 259 HD2 ARG 36 HD2 ARG 36 -7.375 -2.570 3.501 260 HD3 ARG 36 HD1 ARG 36 -5.681 -2.996 3.641 261 HE ARG 36 HE ARG 36 -6.217 -0.800 5.308 262 HH11 ARG 36 HH11 ARG 36 -6.988 -4.218 5.068 263 HH12 ARG 36 HH12 ARG 36 -7.119 -4.432 6.779 264 HH21 ARG 36 HH21 ARG 36 -6.367 -1.109 7.569 265 HH22 ARG 36 HH22 ARG 36 -6.745 -2.683 8.196 266 H ASP 37 HN ASP 37 -7.864 -0.351 -0.548 267 HA ASP 37 HA ASP 37 -7.489 2.564 -0.798 268 HB2 ASP 37 HB2 ASP 37 -7.559 1.704 -3.000 269 HB3 ASP 37 HB1 ASP 37 -8.876 0.602 -2.615 270 H ASP 38 HN ASP 38 -10.147 0.166 -0.745 271 HA ASP 38 HA ASP 38 -12.104 1.861 0.293 272 HB2 ASP 38 HB2 ASP 38 -12.693 -0.335 -0.593 273 HB3 ASP 38 HB1 ASP 38 -11.777 -1.126 0.687 274 H PHE 39 HN PHE 39 -9.763 -0.213 1.856 275 HA PHE 39 HA PHE 39 -10.163 1.227 4.384 276 HB2 PHE 39 HB2 PHE 39 -8.430 -1.190 3.903 277 HB3 PHE 39 HB1 PHE 39 -9.000 -0.573 5.438 278 HD1 PHE 39 HD1 PHE 39 -11.326 -0.914 6.125 279 HD2 PHE 39 HD2 PHE 39 -9.774 -2.645 2.545 280 HE1 PHE 39 HE1 PHE 39 -13.236 -2.457 6.048 281 HE2 PHE 39 HE2 PHE 39 -11.695 -4.182 2.469 282 HZ PHE 39 HZ PHE 39 -13.424 -4.090 4.219 283 H ARG 40 HN ARG 40 -7.856 1.721 5.444 284 HA ARG 40 HA ARG 40 -6.324 2.865 3.200 285 HB2 ARG 40 HB2 ARG 40 -6.881 4.157 5.876 286 HB3 ARG 40 HB1 ARG 40 -5.964 4.871 4.556 287 HG2 ARG 40 HG2 ARG 40 -7.916 4.957 3.168 288 HG3 ARG 40 HG1 ARG 40 -8.858 4.078 4.372 289 HD2 ARG 40 HD2 ARG 40 -8.493 5.950 5.952 290 HD3 ARG 40 HD1 ARG 40 -7.670 6.833 4.666 291 HE ARG 40 HE ARG 40 -10.085 6.170 3.587 292 HH11 ARG 40 HH11 ARG 40 -9.074 7.873 6.475 293 HH12 ARG 40 HH12 ARG 40 -10.472 8.897 6.516 294 HH21 ARG 40 HH21 ARG 40 -11.948 7.494 3.661 295 HH22 ARG 40 HH22 ARG 40 -12.108 8.677 4.920 296 H CYS 41 HN CYS 41 -4.332 2.215 3.099 297 HA CYS 41 HA CYS 41 -2.865 1.601 5.557 298 HB2 CYS 41 HB2 CYS 41 -3.393 -0.133 3.206 299 HB3 CYS 41 HB1 CYS 41 -1.851 -0.297 4.008 300 H TRP 42 HN TRP 42 -0.622 2.103 5.556 301 HA TRP 42 HA TRP 42 0.393 3.792 3.394 302 HB2 TRP 42 HB2 TRP 42 1.592 3.035 6.068 303 HB3 TRP 42 HB1 TRP 42 2.330 4.141 4.927 304 HD1 TRP 42 HD1 TRP 42 -0.557 3.911 7.436 305 HE1 TRP 42 HE1 TRP 42 -1.312 6.304 8.024 306 HE3 TRP 42 HE3 TRP 42 2.257 6.517 4.057 307 HZ2 TRP 42 HZ2 TRP 42 -0.789 8.938 7.159 308 HZ3 TRP 42 HZ3 TRP 42 2.074 8.957 3.999 309 HH2 TRP 42 HH2 TRP 42 0.577 10.150 5.511 310 H CYS 43 HN CYS 43 1.213 2.499 1.643 311 HA CYS 43 HA CYS 43 3.114 0.396 2.442 312 HB2 CYS 43 HB2 CYS 43 1.359 -0.200 0.736 313 HB3 CYS 43 HB1 CYS 43 2.133 0.920 -0.387 314 H THR 44 HN THR 44 5.257 0.672 2.264 315 HA THR 44 HA THR 44 6.201 3.243 1.246 316 HB THR 44 HB THR 44 7.651 1.148 2.880 317 HG1 THR 44 HG1 THR 44 5.893 2.998 3.649 318 HG21 THR 44 HG21 THR 44 9.170 2.477 1.531 319 HG22 THR 44 HG22 THR 44 9.326 2.894 3.236 320 HG23 THR 44 HG23 THR 44 8.440 3.960 2.144 321 H ASN 45 HN ASN 45 7.390 3.357 -0.579 322 HA ASN 45 HA ASN 45 8.869 1.041 -1.495 323 HB2 ASN 45 HB2 ASN 45 6.425 1.068 -2.467 324 HB3 ASN 45 HB1 ASN 45 7.081 2.319 -3.511 325 HD21 ASN 45 HD21 ASN 45 8.788 -0.460 -2.259 326 HD22 ASN 45 HD22 ASN 45 9.083 -1.197 -3.796 327 H ARG 46 HN ARG 46 9.686 1.822 -3.915 328 HA ARG 46 HA ARG 46 11.247 4.194 -3.211 329 HB2 ARG 46 HB2 ARG 46 11.786 2.232 -5.437 330 HB3 ARG 46 HB1 ARG 46 12.909 3.364 -4.701 331 HG2 ARG 46 HG2 ARG 46 13.212 2.069 -2.828 332 HG3 ARG 46 HG1 ARG 46 11.660 1.252 -3.020 333 HD2 ARG 46 HD2 ARG 46 12.530 0.096 -4.998 334 HD3 ARG 46 HD1 ARG 46 14.092 0.878 -4.757 335 HE ARG 46 HE ARG 46 13.747 -0.344 -2.406 336 HH11 ARG 46 HH11 ARG 46 13.361 -1.501 -5.687 337 HH12 ARG 46 HH12 ARG 46 13.751 -3.142 -5.293 338 HH21 ARG 46 HH21 ARG 46 14.288 -2.510 -1.885 339 HH22 ARG 46 HH22 ARG 46 14.302 -3.712 -3.136 340 H CYS 47 HN CYS 47 10.723 6.067 -4.151 341 HA CYS 47 HA CYS 47 9.122 5.986 -6.602 342 HB2 CYS 47 HB2 CYS 47 8.421 8.258 -6.061 343 HB3 CYS 47 HB1 CYS 47 8.127 7.191 -4.696 Start of MODEL 11 1 H1 LYS 1 HT1 LYS 1 14.105 5.883 6.021 2 H2 LYS 1 HT2 LYS 1 13.022 5.631 7.294 3 H3 LYS 1 HT3 LYS 1 12.760 6.890 6.196 4 HA LYS 1 HA LYS 1 12.718 4.015 5.541 5 HB2 LYS 1 HB2 LYS 1 10.299 4.307 5.257 6 HB3 LYS 1 HB1 LYS 1 10.795 4.657 6.907 7 HG2 LYS 1 HG2 LYS 1 10.719 7.054 6.409 8 HG3 LYS 1 HG1 LYS 1 10.186 6.683 4.770 9 HD2 LYS 1 HD2 LYS 1 8.178 5.613 5.650 10 HD3 LYS 1 HD1 LYS 1 8.717 5.935 7.299 11 HE2 LYS 1 HE2 LYS 1 8.663 8.361 6.792 12 HE3 LYS 1 HE1 LYS 1 8.011 7.982 5.199 13 HZ1 LYS 1 HZ1 LYS 1 6.709 7.232 7.757 14 HZ2 LYS 1 HZ2 LYS 1 6.061 7.050 6.201 15 HZ3 LYS 1 HZ3 LYS 1 6.306 8.598 6.846 16 H THR 2 HN THR 2 11.277 3.898 3.407 17 HA THR 2 HA THR 2 12.506 5.758 1.513 18 HB THR 2 HB THR 2 11.929 4.179 -0.258 19 HG1 THR 2 HG1 THR 2 10.274 2.968 0.269 20 HG21 THR 2 HG21 THR 2 13.474 2.406 0.325 21 HG22 THR 2 HG22 THR 2 13.339 2.830 2.031 22 HG23 THR 2 HG23 THR 2 14.081 3.959 0.898 23 H CYS 3 HN CYS 3 10.907 5.846 -0.550 24 HA CYS 3 HA CYS 3 9.071 7.819 0.216 25 HB2 CYS 3 HB2 CYS 3 8.887 6.313 -2.380 26 HB3 CYS 3 HB1 CYS 3 8.591 8.024 -2.069 27 H GLU 4 HN GLU 4 7.200 7.544 1.215 28 HA GLU 4 HA GLU 4 5.707 5.053 0.735 29 HB2 GLU 4 HB2 GLU 4 6.719 4.869 2.894 30 HB3 GLU 4 HB1 GLU 4 6.250 6.510 3.317 31 HG2 GLU 4 HG2 GLU 4 3.834 5.665 3.046 32 HG3 GLU 4 HG1 GLU 4 4.540 4.049 3.164 33 H ASN 5 HN ASN 5 3.501 5.216 0.559 34 HA ASN 5 HA ASN 5 2.285 7.751 1.318 35 HB2 ASN 5 HB2 ASN 5 1.085 8.067 -0.700 36 HB3 ASN 5 HB1 ASN 5 2.759 7.822 -1.154 37 HD21 ASN 5 HD21 ASN 5 -0.448 6.505 -1.161 38 HD22 ASN 5 HD22 ASN 5 -0.145 5.254 -2.324 39 H LEU 6 HN LEU 6 0.142 7.651 1.763 40 HA LEU 6 HA LEU 6 -0.866 5.054 2.546 41 HB2 LEU 6 HB2 LEU 6 -1.112 7.520 3.648 42 HB3 LEU 6 HB1 LEU 6 -2.583 7.464 2.701 43 HG LEU 6 HG LEU 6 -1.785 5.574 4.940 44 HD11 LEU 6 HD11 LEU 6 -3.817 6.447 5.987 45 HD12 LEU 6 HD12 LEU 6 -4.077 7.525 4.615 46 HD13 LEU 6 HD13 LEU 6 -2.667 7.741 5.652 47 HD21 LEU 6 HD21 LEU 6 -4.006 4.568 4.528 48 HD22 LEU 6 HD22 LEU 6 -2.816 4.254 3.266 49 HD23 LEU 6 HD23 LEU 6 -4.090 5.461 3.007 50 H SER 7 HN SER 7 -2.273 3.900 1.313 51 HA SER 7 HA SER 7 -2.908 5.052 -1.286 52 HB2 SER 7 HB2 SER 7 -3.061 2.180 -0.365 53 HB3 SER 7 HB1 SER 7 -3.133 2.771 -2.021 54 HG SER 7 HG SER 7 -0.927 3.666 -0.715 55 H GLY 8 HN GLY 8 -4.942 4.926 -2.219 56 HA2 GLY 8 HA2 GLY 8 -7.217 3.982 -2.131 57 HA3 GLY 8 HA1 GLY 8 -7.176 4.267 -0.394 58 H THR 9 HN THR 9 -8.300 5.976 0.215 59 HA THR 9 HA THR 9 -9.078 8.064 -1.544 60 HB THR 9 HB THR 9 -10.384 7.533 0.476 61 HG1 THR 9 HG1 THR 9 -10.514 9.667 -0.370 62 HG21 THR 9 HG21 THR 9 -9.592 8.198 2.694 63 HG22 THR 9 HG22 THR 9 -8.040 8.672 2.001 64 HG23 THR 9 HG23 THR 9 -8.535 6.979 1.981 65 H PHE 10 HN PHE 10 -6.368 7.456 0.484 66 HA PHE 10 HA PHE 10 -5.263 10.127 0.219 67 HB2 PHE 10 HB2 PHE 10 -4.456 7.623 1.661 68 HB3 PHE 10 HB1 PHE 10 -3.286 8.904 1.395 69 HD1 PHE 10 HD1 PHE 10 -3.303 10.868 2.673 70 HD2 PHE 10 HD2 PHE 10 -6.454 8.044 3.056 71 HE1 PHE 10 HE1 PHE 10 -4.079 12.019 4.708 72 HE2 PHE 10 HE2 PHE 10 -7.243 9.189 5.084 73 HZ PHE 10 HZ PHE 10 -6.056 11.180 5.916 74 H LYS 11 HN LYS 11 -3.756 10.688 -1.248 75 HA LYS 11 HA LYS 11 -2.117 10.595 -2.822 76 HB2 LYS 11 HB2 LYS 11 -1.325 8.310 -1.027 77 HB3 LYS 11 HB1 LYS 11 -0.300 8.912 -2.316 78 HG2 LYS 11 HG2 LYS 11 0.491 9.893 -0.335 79 HG3 LYS 11 HG1 LYS 11 -0.393 11.158 -1.166 80 HD2 LYS 11 HD2 LYS 11 -2.288 10.863 0.293 81 HD3 LYS 11 HD1 LYS 11 -1.510 9.483 1.070 82 HE2 LYS 11 HE2 LYS 11 -1.299 11.489 2.439 83 HE3 LYS 11 HE1 LYS 11 0.277 10.937 1.878 84 HZ1 LYS 11 HZ1 LYS 11 0.113 13.309 1.669 85 HZ2 LYS 11 HZ2 LYS 11 -1.303 13.185 0.755 86 HZ3 LYS 11 HZ3 LYS 11 0.165 12.627 0.120 87 H GLY 12 HN GLY 12 -4.516 9.021 -3.582 88 HA2 GLY 12 HA2 GLY 12 -4.853 7.989 -5.696 89 HA3 GLY 12 HA1 GLY 12 -3.203 7.392 -5.645 90 HA PRO 13 HA PRO 13 -6.580 4.452 -3.828 91 HB2 PRO 13 HB2 PRO 13 -7.595 3.201 -5.966 92 HB3 PRO 13 HB1 PRO 13 -8.214 4.767 -5.428 93 HG2 PRO 13 HG2 PRO 13 -6.215 4.183 -7.595 94 HG3 PRO 13 HG1 PRO 13 -7.656 5.218 -7.667 95 HD2 PRO 13 HD2 PRO 13 -5.195 6.226 -7.259 96 HD3 PRO 13 HD1 PRO 13 -6.633 6.925 -6.487 97 H CYS 14 HN CYS 14 -6.737 2.014 -4.057 98 HA CYS 14 HA CYS 14 -4.567 0.718 -5.443 99 HB2 CYS 14 HB2 CYS 14 -3.371 1.281 -3.453 100 HB3 CYS 14 HB1 CYS 14 -4.689 0.731 -2.425 101 H ILE 15 HN ILE 15 -6.155 -0.693 -2.596 102 HA ILE 15 HA ILE 15 -7.878 -2.279 -4.352 103 HB ILE 15 HB ILE 15 -7.150 -4.386 -3.300 104 HG12 ILE 15 HG12 ILE 15 -5.204 -2.526 -1.963 105 HG13 ILE 15 HG11 ILE 15 -6.154 -3.837 -1.275 106 HG21 ILE 15 HG21 ILE 15 -5.071 -4.639 -4.586 107 HG22 ILE 15 HG22 ILE 15 -4.992 -2.888 -4.781 108 HG23 ILE 15 HG23 ILE 15 -6.322 -3.796 -5.500 109 HD11 ILE 15 HD11 ILE 15 -3.750 -4.310 -1.344 110 HD12 ILE 15 HD12 ILE 15 -3.806 -4.219 -3.106 111 HD13 ILE 15 HD13 ILE 15 -4.706 -5.473 -2.258 112 HA PRO 16 HA PRO 16 -10.412 -1.664 -0.781 113 HB2 PRO 16 HB2 PRO 16 -12.729 -2.481 -1.863 114 HB3 PRO 16 HB1 PRO 16 -11.913 -1.012 -2.405 115 HG2 PRO 16 HG2 PRO 16 -12.175 -3.623 -3.755 116 HG3 PRO 16 HG1 PRO 16 -11.892 -2.020 -4.450 117 HD2 PRO 16 HD2 PRO 16 -9.971 -4.085 -3.896 118 HD3 PRO 16 HD1 PRO 16 -9.682 -2.488 -4.605 119 H ASP 17 HN ASP 17 -9.062 -4.463 -1.262 120 HA ASP 17 HA ASP 17 -11.128 -6.275 -0.351 121 HB2 ASP 17 HB2 ASP 17 -8.201 -6.830 -0.853 122 HB3 ASP 17 HB1 ASP 17 -9.476 -8.028 -0.653 123 H GLY 18 HN GLY 18 -8.567 -4.463 1.086 124 HA2 GLY 18 HA2 GLY 18 -8.187 -4.120 3.349 125 HA3 GLY 18 HA1 GLY 18 -9.362 -5.367 3.716 126 H ASN 19 HN ASN 19 -6.616 -5.722 1.641 127 HA ASN 19 HA ASN 19 -5.277 -7.441 3.601 128 HB2 ASN 19 HB2 ASN 19 -4.472 -8.638 1.452 129 HB3 ASN 19 HB1 ASN 19 -6.127 -8.910 1.980 130 HD21 ASN 19 HD21 ASN 19 -5.150 -5.909 0.493 131 HD22 ASN 19 HD22 ASN 19 -6.037 -6.118 -0.966 132 H CYS 20 HN CYS 20 -4.750 -4.704 3.388 133 HA CYS 20 HA CYS 20 -3.166 -3.850 1.379 134 HB2 CYS 20 HB2 CYS 20 -2.365 -2.077 2.897 135 HB3 CYS 20 HB1 CYS 20 -4.108 -2.240 2.912 136 H ASN 21 HN ASN 21 -1.861 -4.709 4.590 137 HA ASN 21 HA ASN 21 0.791 -4.500 3.929 138 HB2 ASN 21 HB2 ASN 21 -0.642 -6.127 5.963 139 HB3 ASN 21 HB1 ASN 21 1.075 -6.403 5.728 140 HD21 ASN 21 HD21 ASN 21 1.447 -3.547 5.007 141 HD22 ASN 21 HD22 ASN 21 1.422 -2.729 6.524 142 H LYS 22 HN LYS 22 -0.998 -7.572 3.986 143 HA LYS 22 HA LYS 22 1.161 -9.044 3.018 144 HB2 LYS 22 HB2 LYS 22 -0.673 -10.746 2.393 145 HB3 LYS 22 HB1 LYS 22 -0.431 -10.335 4.082 146 HG2 LYS 22 HG2 LYS 22 -2.364 -8.884 4.045 147 HG3 LYS 22 HG1 LYS 22 -2.596 -9.169 2.314 148 HD2 LYS 22 HD2 LYS 22 -3.004 -11.514 2.727 149 HD3 LYS 22 HD1 LYS 22 -2.635 -11.320 4.439 150 HE2 LYS 22 HE2 LYS 22 -4.570 -9.867 4.700 151 HE3 LYS 22 HE1 LYS 22 -4.918 -10.007 2.981 152 HZ1 LYS 22 HZ1 LYS 22 -6.321 -11.490 4.199 153 HZ2 LYS 22 HZ2 LYS 22 -4.998 -12.198 4.975 154 HZ3 LYS 22 HZ3 LYS 22 -5.213 -12.409 3.312 155 H HIS 23 HN HIS 23 -1.308 -7.272 1.228 156 HA HIS 23 HA HIS 23 -0.911 -8.670 -1.196 157 HB2 HIS 23 HB2 HIS 23 -2.822 -7.027 -0.578 158 HB3 HIS 23 HB1 HIS 23 -1.725 -5.785 -1.176 159 HD1 HIS 23 HD1 HIS 23 -1.542 -5.519 -3.692 160 HD2 HIS 23 HD2 HIS 23 -3.623 -8.935 -2.567 161 HE1 HIS 23 HE1 HIS 23 -2.499 -6.459 -5.815 162 HE2 HIS 23 HE2 HIS 23 -3.948 -8.374 -5.065 163 H CYS 24 HN CYS 24 0.269 -5.406 -0.273 164 HA CYS 24 HA CYS 24 2.024 -4.908 -2.343 165 HB2 CYS 24 HB2 CYS 24 1.992 -4.190 0.532 166 HB3 CYS 24 HB1 CYS 24 3.549 -4.073 -0.263 167 H ARG 25 HN ARG 25 2.579 -6.861 0.538 168 HA ARG 25 HA ARG 25 5.384 -7.049 0.050 169 HB2 ARG 25 HB2 ARG 25 3.679 -8.549 2.023 170 HB3 ARG 25 HB1 ARG 25 5.415 -8.357 2.074 171 HG2 ARG 25 HG2 ARG 25 3.434 -6.120 2.265 172 HG3 ARG 25 HG1 ARG 25 4.265 -6.863 3.637 173 HD2 ARG 25 HD2 ARG 25 5.828 -5.790 1.346 174 HD3 ARG 25 HD1 ARG 25 5.214 -4.663 2.555 175 HE ARG 25 HE ARG 25 7.359 -6.577 2.855 176 HH11 ARG 25 HH11 ARG 25 4.945 -4.715 4.588 177 HH12 ARG 25 HH12 ARG 25 5.841 -4.684 6.067 178 HH21 ARG 25 HH21 ARG 25 8.531 -6.550 4.811 179 HH22 ARG 25 HH22 ARG 25 7.886 -5.718 6.188 180 H ASN 26 HN ASN 26 2.644 -9.019 -0.740 181 HA ASN 26 HA ASN 26 4.332 -11.358 -1.159 182 HB2 ASN 26 HB2 ASN 26 1.388 -10.886 -1.192 183 HB3 ASN 26 HB1 ASN 26 2.031 -12.268 -2.068 184 HD21 ASN 26 HD21 ASN 26 1.511 -10.840 1.015 185 HD22 ASN 26 HD22 ASN 26 1.904 -12.228 1.972 186 H ASN 27 HN ASN 27 2.344 -9.166 -3.104 187 HA ASN 27 HA ASN 27 3.071 -10.613 -5.506 188 HB2 ASN 27 HB2 ASN 27 1.355 -9.521 -6.572 189 HB3 ASN 27 HB1 ASN 27 0.785 -9.418 -4.915 190 HD21 ASN 27 HD21 ASN 27 1.134 -7.420 -3.764 191 HD22 ASN 27 HD22 ASN 27 1.211 -5.928 -4.661 192 H GLU 28 HN GLU 28 3.820 -7.494 -4.017 193 HA GLU 28 HA GLU 28 5.643 -6.973 -6.266 194 HB2 GLU 28 HB2 GLU 28 3.602 -5.448 -5.758 195 HB3 GLU 28 HB1 GLU 28 4.595 -4.830 -4.446 196 HG2 GLU 28 HG2 GLU 28 6.285 -4.117 -5.998 197 HG3 GLU 28 HG1 GLU 28 5.427 -4.877 -7.335 198 H HIS 29 HN HIS 29 5.367 -7.358 -2.862 199 HA HIS 29 HA HIS 29 6.859 -7.564 -1.196 200 HB2 HIS 29 HB2 HIS 29 8.002 -9.029 -2.866 201 HB3 HIS 29 HB1 HIS 29 8.965 -7.645 -3.362 202 HD1 HIS 29 HD1 HIS 29 8.282 -9.612 -0.165 203 HD2 HIS 29 HD2 HIS 29 11.299 -7.443 -2.029 204 HE1 HIS 29 HE1 HIS 29 10.293 -9.829 1.325 205 HE2 HIS 29 HE2 HIS 29 12.052 -8.376 0.257 206 H LEU 30 HN LEU 30 6.042 -5.152 -1.167 207 HA LEU 30 HA LEU 30 8.258 -3.306 -1.541 208 HB2 LEU 30 HB2 LEU 30 5.528 -2.619 -0.492 209 HB3 LEU 30 HB1 LEU 30 6.740 -1.522 -1.100 210 HG LEU 30 HG LEU 30 5.000 -3.412 -2.654 211 HD11 LEU 30 HD11 LEU 30 4.110 -1.202 -2.109 212 HD12 LEU 30 HD12 LEU 30 4.406 -1.371 -3.842 213 HD13 LEU 30 HD13 LEU 30 5.530 -0.453 -2.839 214 HD21 LEU 30 HD21 LEU 30 6.278 -2.704 -4.654 215 HD22 LEU 30 HD22 LEU 30 7.208 -3.722 -3.554 216 HD23 LEU 30 HD23 LEU 30 7.482 -1.979 -3.590 217 H LEU 31 HN LEU 31 7.791 -1.462 0.481 218 HA LEU 31 HA LEU 31 9.271 -2.847 2.490 219 HB2 LEU 31 HB2 LEU 31 8.739 0.011 1.861 220 HB3 LEU 31 HB1 LEU 31 9.605 -0.474 3.313 221 HG LEU 31 HG LEU 31 10.925 -1.902 1.729 222 HD11 LEU 31 HD11 LEU 31 11.218 -1.141 -0.491 223 HD12 LEU 31 HD12 LEU 31 10.064 0.155 -0.200 224 HD13 LEU 31 HD13 LEU 31 9.522 -1.523 -0.181 225 HD21 LEU 31 HD21 LEU 31 11.305 1.069 1.670 226 HD22 LEU 31 HD22 LEU 31 12.571 -0.139 1.414 227 HD23 LEU 31 HD23 LEU 31 11.807 0.017 2.998 228 H SER 32 HN SER 32 6.570 -0.544 2.623 229 HA SER 32 HA SER 32 6.093 -1.458 5.361 230 HB2 SER 32 HB2 SER 32 6.008 1.017 4.780 231 HB3 SER 32 HB1 SER 32 4.487 0.664 3.973 232 HG SER 32 HG SER 32 5.088 0.283 6.718 233 H GLY 33 HN GLY 33 4.754 -1.785 2.275 234 HA2 GLY 33 HA2 GLY 33 3.552 -3.585 1.611 235 HA3 GLY 33 HA1 GLY 33 3.436 -4.100 3.263 236 H ARG 34 HN ARG 34 2.262 -1.012 3.381 237 HA ARG 34 HA ARG 34 -0.345 -2.199 3.785 238 HB2 ARG 34 HB2 ARG 34 1.170 0.071 4.663 239 HB3 ARG 34 HB1 ARG 34 -0.430 0.612 4.190 240 HG2 ARG 34 HG2 ARG 34 -1.395 -0.998 5.795 241 HG3 ARG 34 HG1 ARG 34 0.236 -1.509 6.246 242 HD2 ARG 34 HD2 ARG 34 -0.850 1.299 6.487 243 HD3 ARG 34 HD1 ARG 34 -0.670 0.171 7.819 244 HE ARG 34 HE ARG 34 1.803 0.457 6.503 245 HH11 ARG 34 HH11 ARG 34 -0.362 2.240 8.597 246 HH12 ARG 34 HH12 ARG 34 0.894 3.236 9.255 247 HH21 ARG 34 HH21 ARG 34 3.452 1.763 7.346 248 HH22 ARG 34 HH22 ARG 34 3.075 2.976 8.530 249 H CYS 35 HN CYS 35 -0.592 -2.606 1.261 250 HA CYS 35 HA CYS 35 -1.633 -0.176 0.025 251 HB2 CYS 35 HB2 CYS 35 -0.077 -1.908 -1.170 252 HB3 CYS 35 HB1 CYS 35 -1.597 -2.745 -1.471 253 H ARG 36 HN ARG 36 -3.665 0.372 0.343 254 HA ARG 36 HA ARG 36 -5.721 -1.574 -0.345 255 HB2 ARG 36 HB2 ARG 36 -5.346 -0.428 2.324 256 HB3 ARG 36 HB1 ARG 36 -6.976 -0.297 1.705 257 HG2 ARG 36 HG2 ARG 36 -7.095 -2.695 1.431 258 HG3 ARG 36 HG1 ARG 36 -5.433 -2.873 1.972 259 HD2 ARG 36 HD2 ARG 36 -6.505 -1.394 3.991 260 HD3 ARG 36 HD1 ARG 36 -7.879 -2.360 3.477 261 HE ARG 36 HE ARG 36 -6.036 -4.234 3.803 262 HH11 ARG 36 HH11 ARG 36 -6.932 -1.548 5.861 263 HH12 ARG 36 HH12 ARG 36 -6.651 -2.418 7.332 264 HH21 ARG 36 HH21 ARG 36 -5.684 -5.392 5.767 265 HH22 ARG 36 HH22 ARG 36 -5.951 -4.585 7.280 266 H ASP 37 HN ASP 37 -7.952 -0.314 -0.257 267 HA ASP 37 HA ASP 37 -7.557 2.366 -1.389 268 HB2 ASP 37 HB2 ASP 37 -7.873 0.993 -3.302 269 HB3 ASP 37 HB1 ASP 37 -9.174 0.093 -2.528 270 H ASP 38 HN ASP 38 -10.313 0.227 -0.751 271 HA ASP 38 HA ASP 38 -12.049 2.220 0.159 272 HB2 ASP 38 HB2 ASP 38 -12.844 0.041 -0.584 273 HB3 ASP 38 HB1 ASP 38 -12.006 -0.747 0.747 274 H PHE 39 HN PHE 39 -9.812 0.130 1.816 275 HA PHE 39 HA PHE 39 -10.143 1.659 4.296 276 HB2 PHE 39 HB2 PHE 39 -8.351 -0.717 3.990 277 HB3 PHE 39 HB1 PHE 39 -9.144 -0.123 5.436 278 HD1 PHE 39 HD1 PHE 39 -11.479 -0.617 5.878 279 HD2 PHE 39 HD2 PHE 39 -9.494 -2.226 2.458 280 HE1 PHE 39 HE1 PHE 39 -13.291 -2.254 5.596 281 HE2 PHE 39 HE2 PHE 39 -11.312 -3.854 2.179 282 HZ PHE 39 HZ PHE 39 -13.208 -3.871 3.744 283 H ARG 40 HN ARG 40 -7.860 2.105 5.358 284 HA ARG 40 HA ARG 40 -6.245 3.168 3.141 285 HB2 ARG 40 HB2 ARG 40 -5.773 5.127 4.621 286 HB3 ARG 40 HB1 ARG 40 -7.457 4.981 4.149 287 HG2 ARG 40 HG2 ARG 40 -8.016 4.047 6.311 288 HG3 ARG 40 HG1 ARG 40 -6.320 4.099 6.792 289 HD2 ARG 40 HD2 ARG 40 -7.416 5.983 7.761 290 HD3 ARG 40 HD1 ARG 40 -6.378 6.565 6.462 291 HE ARG 40 HE ARG 40 -8.927 6.160 5.397 292 HH11 ARG 40 HH11 ARG 40 -7.330 8.220 7.734 293 HH12 ARG 40 HH12 ARG 40 -8.435 9.541 7.519 294 HH21 ARG 40 HH21 ARG 40 -10.385 7.908 5.109 295 HH22 ARG 40 HH22 ARG 40 -10.174 9.360 6.032 296 H CYS 41 HN CYS 41 -4.317 2.387 3.058 297 HA CYS 41 HA CYS 41 -2.843 1.792 5.513 298 HB2 CYS 41 HB2 CYS 41 -3.484 -0.001 3.224 299 HB3 CYS 41 HB1 CYS 41 -1.939 -0.208 4.019 300 H TRP 42 HN TRP 42 -0.627 2.409 5.485 301 HA TRP 42 HA TRP 42 0.407 3.881 3.193 302 HB2 TRP 42 HB2 TRP 42 1.625 3.300 5.900 303 HB3 TRP 42 HB1 TRP 42 2.362 4.316 4.674 304 HD1 TRP 42 HD1 TRP 42 -0.525 4.284 7.195 305 HE1 TRP 42 HE1 TRP 42 -1.269 6.714 7.602 306 HE3 TRP 42 HE3 TRP 42 2.324 6.617 3.654 307 HZ2 TRP 42 HZ2 TRP 42 -0.728 9.270 6.544 308 HZ3 TRP 42 HZ3 TRP 42 2.159 9.045 3.414 309 HH2 TRP 42 HH2 TRP 42 0.661 10.357 4.820 310 H CYS 43 HN CYS 43 1.261 2.558 1.525 311 HA CYS 43 HA CYS 43 3.094 0.433 2.414 312 HB2 CYS 43 HB2 CYS 43 1.336 -0.068 0.634 313 HB3 CYS 43 HB1 CYS 43 2.297 0.928 -0.464 314 H THR 44 HN THR 44 5.236 0.701 2.338 315 HA THR 44 HA THR 44 6.240 3.227 1.282 316 HB THR 44 HB THR 44 7.639 1.185 3.026 317 HG1 THR 44 HG1 THR 44 5.820 3.141 3.633 318 HG21 THR 44 HG21 THR 44 9.153 3.086 3.540 319 HG22 THR 44 HG22 THR 44 8.347 4.017 2.276 320 HG23 THR 44 HG23 THR 44 9.229 2.550 1.863 321 H ASN 45 HN ASN 45 7.540 3.301 -0.455 322 HA ASN 45 HA ASN 45 8.903 0.888 -1.345 323 HB2 ASN 45 HB2 ASN 45 6.582 1.221 -2.493 324 HB3 ASN 45 HB1 ASN 45 7.391 2.516 -3.358 325 HD21 ASN 45 HD21 ASN 45 8.808 -0.499 -2.310 326 HD22 ASN 45 HD22 ASN 45 9.146 -1.104 -3.898 327 H ARG 46 HN ARG 46 10.037 1.827 -3.665 328 HA ARG 46 HA ARG 46 11.583 4.106 -2.618 329 HB2 ARG 46 HB2 ARG 46 12.464 2.100 -4.695 330 HB3 ARG 46 HB1 ARG 46 13.459 3.283 -3.859 331 HG2 ARG 46 HG2 ARG 46 13.645 2.028 -1.994 332 HG3 ARG 46 HG1 ARG 46 12.031 1.331 -2.170 333 HD2 ARG 46 HD2 ARG 46 12.857 -0.041 -4.032 334 HD3 ARG 46 HD1 ARG 46 14.474 0.617 -3.785 335 HE ARG 46 HE ARG 46 14.310 -0.407 -1.495 336 HH11 ARG 46 HH11 ARG 46 12.506 -1.682 -4.212 337 HH12 ARG 46 HH12 ARG 46 12.459 -3.298 -3.589 338 HH21 ARG 46 HH21 ARG 46 14.256 -2.545 -0.669 339 HH22 ARG 46 HH22 ARG 46 13.464 -3.793 -1.579 340 H CYS 47 HN CYS 47 11.770 5.928 -3.823 341 HA CYS 47 HA CYS 47 10.488 5.878 -6.464 342 HB2 CYS 47 HB2 CYS 47 9.766 8.177 -6.093 343 HB3 CYS 47 HB1 CYS 47 9.149 7.127 -4.826 Start of MODEL 12 1 H1 LYS 1 HT1 LYS 1 13.328 6.024 7.187 2 H2 LYS 1 HT2 LYS 1 12.963 7.216 6.046 3 H3 LYS 1 HT3 LYS 1 14.363 6.286 5.877 4 HA LYS 1 HA LYS 1 13.075 4.311 5.525 5 HB2 LYS 1 HB2 LYS 1 10.637 4.460 5.256 6 HB3 LYS 1 HB1 LYS 1 11.130 4.910 6.882 7 HG2 LYS 1 HG2 LYS 1 10.882 7.254 6.338 8 HG3 LYS 1 HG1 LYS 1 10.463 6.843 4.676 9 HD2 LYS 1 HD2 LYS 1 8.475 5.663 5.468 10 HD3 LYS 1 HD1 LYS 1 8.904 6.050 7.135 11 HE2 LYS 1 HE2 LYS 1 8.304 8.075 4.980 12 HE3 LYS 1 HE1 LYS 1 7.168 7.549 6.220 13 HZ1 LYS 1 HZ1 LYS 1 8.183 9.612 6.862 14 HZ2 LYS 1 HZ2 LYS 1 9.735 8.973 6.673 15 HZ3 LYS 1 HZ3 LYS 1 8.726 8.394 7.899 16 H THR 2 HN THR 2 11.447 4.110 3.467 17 HA THR 2 HA THR 2 12.672 5.780 1.396 18 HB THR 2 HB THR 2 11.997 4.106 -0.210 19 HG1 THR 2 HG1 THR 2 10.132 3.288 0.602 20 HG21 THR 2 HG21 THR 2 13.342 2.204 0.598 21 HG22 THR 2 HG22 THR 2 13.337 2.920 2.212 22 HG23 THR 2 HG23 THR 2 14.127 3.758 0.874 23 H CYS 3 HN CYS 3 10.983 5.832 -0.588 24 HA CYS 3 HA CYS 3 9.127 7.794 0.090 25 HB2 CYS 3 HB2 CYS 3 8.867 5.921 -2.269 26 HB3 CYS 3 HB1 CYS 3 8.261 7.569 -2.134 27 H GLU 4 HN GLU 4 7.452 7.559 1.376 28 HA GLU 4 HA GLU 4 5.881 5.079 1.210 29 HB2 GLU 4 HB2 GLU 4 6.940 5.317 3.394 30 HB3 GLU 4 HB1 GLU 4 6.290 6.946 3.553 31 HG2 GLU 4 HG2 GLU 4 3.987 5.948 3.447 32 HG3 GLU 4 HG1 GLU 4 4.750 4.351 3.559 33 H ASN 5 HN ASN 5 3.769 5.269 0.728 34 HA ASN 5 HA ASN 5 2.493 7.828 1.206 35 HB2 ASN 5 HB2 ASN 5 3.399 7.766 -1.198 36 HB3 ASN 5 HB1 ASN 5 2.132 6.577 -1.481 37 HD21 ASN 5 HD21 ASN 5 0.032 7.150 -1.397 38 HD22 ASN 5 HD22 ASN 5 -0.483 8.786 -1.359 39 H LEU 6 HN LEU 6 0.210 7.734 0.914 40 HA LEU 6 HA LEU 6 -0.719 5.251 2.067 41 HB2 LEU 6 HB2 LEU 6 -1.094 7.826 2.849 42 HB3 LEU 6 HB1 LEU 6 -2.587 7.508 1.985 43 HG LEU 6 HG LEU 6 -1.516 5.953 4.367 44 HD11 LEU 6 HD11 LEU 6 -3.587 6.799 5.433 45 HD12 LEU 6 HD12 LEU 6 -3.890 7.786 4.004 46 HD13 LEU 6 HD13 LEU 6 -2.464 8.085 4.995 47 HD21 LEU 6 HD21 LEU 6 -2.585 4.400 2.943 48 HD22 LEU 6 HD22 LEU 6 -3.935 5.504 2.641 49 HD23 LEU 6 HD23 LEU 6 -3.705 4.800 4.244 50 H SER 7 HN SER 7 -2.045 3.901 1.106 51 HA SER 7 HA SER 7 -3.169 4.640 -1.469 52 HB2 SER 7 HB2 SER 7 -3.643 2.160 -1.595 53 HB3 SER 7 HB1 SER 7 -1.940 2.596 -1.553 54 HG SER 7 HG SER 7 -1.959 2.094 0.692 55 H GLY 8 HN GLY 8 -5.232 5.126 -1.661 56 HA2 GLY 8 HA2 GLY 8 -7.409 3.859 -0.570 57 HA3 GLY 8 HA1 GLY 8 -6.995 5.119 0.587 58 H THR 9 HN THR 9 -9.107 6.028 0.044 59 HA THR 9 HA THR 9 -9.758 6.989 -2.488 60 HB THR 9 HB THR 9 -11.422 6.927 -0.739 61 HG1 THR 9 HG1 THR 9 -11.469 9.636 -0.955 62 HG21 THR 9 HG21 THR 9 -10.021 7.437 1.190 63 HG22 THR 9 HG22 THR 9 -11.419 8.510 1.134 64 HG23 THR 9 HG23 THR 9 -9.833 9.099 0.630 65 H PHE 10 HN PHE 10 -8.129 8.695 0.188 66 HA PHE 10 HA PHE 10 -7.148 10.695 -1.667 67 HB2 PHE 10 HB2 PHE 10 -5.929 11.484 0.506 68 HB3 PHE 10 HB1 PHE 10 -7.650 11.777 0.312 69 HD1 PHE 10 HD1 PHE 10 -9.223 10.832 1.755 70 HD2 PHE 10 HD2 PHE 10 -5.150 9.638 2.007 71 HE1 PHE 10 HE1 PHE 10 -9.692 9.707 3.893 72 HE2 PHE 10 HE2 PHE 10 -5.616 8.505 4.142 73 HZ PHE 10 HZ PHE 10 -7.886 8.537 5.084 74 H LYS 11 HN LYS 11 -4.973 11.015 -2.128 75 HA LYS 11 HA LYS 11 -2.763 10.605 -2.336 76 HB2 LYS 11 HB2 LYS 11 -3.377 8.953 0.034 77 HB3 LYS 11 HB1 LYS 11 -1.904 8.563 -0.825 78 HG2 LYS 11 HG2 LYS 11 -1.062 10.054 0.645 79 HG3 LYS 11 HG1 LYS 11 -1.551 11.187 -0.615 80 HD2 LYS 11 HD2 LYS 11 -3.604 11.669 0.546 81 HD3 LYS 11 HD1 LYS 11 -3.253 10.417 1.745 82 HE2 LYS 11 HE2 LYS 11 -1.300 11.657 2.496 83 HE3 LYS 11 HE1 LYS 11 -1.578 12.882 1.261 84 HZ1 LYS 11 HZ1 LYS 11 -2.380 13.586 3.426 85 HZ2 LYS 11 HZ2 LYS 11 -3.418 12.252 3.502 86 HZ3 LYS 11 HZ3 LYS 11 -3.661 13.445 2.331 87 H GLY 12 HN GLY 12 -5.070 8.808 -3.455 88 HA2 GLY 12 HA2 GLY 12 -4.940 7.499 -5.408 89 HA3 GLY 12 HA1 GLY 12 -3.244 7.202 -5.072 90 HA PRO 13 HA PRO 13 -6.211 3.918 -3.129 91 HB2 PRO 13 HB2 PRO 13 -7.587 2.708 -5.061 92 HB3 PRO 13 HB1 PRO 13 -8.124 4.252 -4.389 93 HG2 PRO 13 HG2 PRO 13 -6.611 3.718 -6.921 94 HG3 PRO 13 HG1 PRO 13 -8.016 4.769 -6.666 95 HD2 PRO 13 HD2 PRO 13 -5.440 5.674 -6.748 96 HD3 PRO 13 HD1 PRO 13 -6.732 6.476 -5.832 97 H CYS 14 HN CYS 14 -6.384 1.455 -3.588 98 HA CYS 14 HA CYS 14 -4.346 0.419 -5.371 99 HB2 CYS 14 HB2 CYS 14 -3.316 0.927 -3.060 100 HB3 CYS 14 HB1 CYS 14 -4.249 -0.448 -2.486 101 H ILE 15 HN ILE 15 -5.973 -1.121 -2.566 102 HA ILE 15 HA ILE 15 -7.801 -2.507 -4.376 103 HB ILE 15 HB ILE 15 -7.327 -4.707 -3.354 104 HG12 ILE 15 HG12 ILE 15 -4.839 -3.382 -2.255 105 HG13 ILE 15 HG11 ILE 15 -6.259 -3.785 -1.294 106 HG21 ILE 15 HG21 ILE 15 -4.976 -3.448 -4.759 107 HG22 ILE 15 HG22 ILE 15 -6.389 -4.173 -5.529 108 HG23 ILE 15 HG23 ILE 15 -5.274 -5.180 -4.604 109 HD11 ILE 15 HD11 ILE 15 -5.945 -6.135 -1.797 110 HD12 ILE 15 HD12 ILE 15 -4.513 -5.439 -1.040 111 HD13 ILE 15 HD13 ILE 15 -4.533 -5.742 -2.779 112 HA PRO 16 HA PRO 16 -10.268 -1.653 -0.817 113 HB2 PRO 16 HB2 PRO 16 -12.661 -2.359 -1.852 114 HB3 PRO 16 HB1 PRO 16 -11.776 -0.922 -2.374 115 HG2 PRO 16 HG2 PRO 16 -12.230 -3.454 -3.790 116 HG3 PRO 16 HG1 PRO 16 -11.783 -1.871 -4.435 117 HD2 PRO 16 HD2 PRO 16 -10.082 -4.136 -3.908 118 HD3 PRO 16 HD1 PRO 16 -9.645 -2.574 -4.620 119 H ASP 17 HN ASP 17 -8.938 -4.102 -0.392 120 HA ASP 17 HA ASP 17 -11.140 -5.812 0.574 121 HB2 ASP 17 HB2 ASP 17 -8.306 -6.627 -0.049 122 HB3 ASP 17 HB1 ASP 17 -9.578 -7.695 0.524 123 H GLY 18 HN GLY 18 -8.377 -3.978 1.536 124 HA2 GLY 18 HA2 GLY 18 -8.077 -3.233 3.759 125 HA3 GLY 18 HA1 GLY 18 -9.023 -4.593 4.323 126 H ASN 19 HN ASN 19 -7.069 -5.944 2.233 127 HA ASN 19 HA ASN 19 -5.197 -6.801 4.293 128 HB2 ASN 19 HB2 ASN 19 -4.660 -8.522 2.406 129 HB3 ASN 19 HB1 ASN 19 -6.159 -8.671 3.306 130 HD21 ASN 19 HD21 ASN 19 -5.584 -6.231 0.874 131 HD22 ASN 19 HD22 ASN 19 -6.738 -6.820 -0.262 132 H CYS 20 HN CYS 20 -4.310 -4.514 3.909 133 HA CYS 20 HA CYS 20 -3.182 -3.835 1.491 134 HB2 CYS 20 HB2 CYS 20 -2.147 -1.986 2.710 135 HB3 CYS 20 HB1 CYS 20 -3.838 -2.165 3.094 136 H ASN 21 HN ASN 21 -1.613 -5.190 4.396 137 HA ASN 21 HA ASN 21 1.020 -4.863 3.384 138 HB2 ASN 21 HB2 ASN 21 -0.145 -6.550 5.591 139 HB3 ASN 21 HB1 ASN 21 1.550 -6.694 5.145 140 HD21 ASN 21 HD21 ASN 21 -0.143 -3.673 4.919 141 HD22 ASN 21 HD22 ASN 21 0.624 -2.908 6.266 142 H LYS 22 HN LYS 22 -1.079 -7.745 3.448 143 HA LYS 22 HA LYS 22 0.881 -9.458 2.423 144 HB2 LYS 22 HB2 LYS 22 -0.862 -11.061 2.063 145 HB3 LYS 22 HB1 LYS 22 -1.188 -10.213 3.567 146 HG2 LYS 22 HG2 LYS 22 -2.804 -8.791 2.367 147 HG3 LYS 22 HG1 LYS 22 -2.512 -9.742 0.915 148 HD2 LYS 22 HD2 LYS 22 -4.498 -10.568 1.944 149 HD3 LYS 22 HD1 LYS 22 -3.225 -11.763 2.185 150 HE2 LYS 22 HE2 LYS 22 -2.903 -11.037 4.457 151 HE3 LYS 22 HE1 LYS 22 -4.029 -9.700 4.231 152 HZ1 LYS 22 HZ1 LYS 22 -5.825 -11.245 3.984 153 HZ2 LYS 22 HZ2 LYS 22 -4.999 -11.612 5.412 154 HZ3 LYS 22 HZ3 LYS 22 -4.773 -12.565 4.035 155 H HIS 23 HN HIS 23 -1.345 -7.283 0.800 156 HA HIS 23 HA HIS 23 -0.951 -8.395 -1.790 157 HB2 HIS 23 HB2 HIS 23 -2.844 -6.847 -1.153 158 HB3 HIS 23 HB1 HIS 23 -1.680 -5.525 -1.195 159 HD1 HIS 23 HD1 HIS 23 -1.123 -4.545 -3.471 160 HD2 HIS 23 HD2 HIS 23 -3.319 -8.070 -3.711 161 HE1 HIS 23 HE1 HIS 23 -1.758 -4.788 -5.888 162 HE2 HIS 23 HE2 HIS 23 -2.937 -7.009 -6.037 163 H CYS 24 HN CYS 24 0.422 -5.497 -0.213 164 HA CYS 24 HA CYS 24 2.222 -4.879 -2.291 165 HB2 CYS 24 HB2 CYS 24 1.902 -4.071 0.530 166 HB3 CYS 24 HB1 CYS 24 3.528 -3.994 -0.089 167 H ARG 25 HN ARG 25 2.411 -7.231 0.314 168 HA ARG 25 HA ARG 25 5.278 -7.468 -0.011 169 HB2 ARG 25 HB2 ARG 25 3.392 -9.048 1.700 170 HB3 ARG 25 HB1 ARG 25 5.129 -9.279 1.671 171 HG2 ARG 25 HG2 ARG 25 3.493 -7.201 2.922 172 HG3 ARG 25 HG1 ARG 25 4.993 -7.942 3.470 173 HD2 ARG 25 HD2 ARG 25 6.050 -6.567 1.498 174 HD3 ARG 25 HD1 ARG 25 4.573 -5.645 1.618 175 HE ARG 25 HE ARG 25 6.783 -5.284 3.199 176 HH11 ARG 25 HH11 ARG 25 3.365 -5.835 3.858 177 HH12 ARG 25 HH12 ARG 25 3.449 -5.175 5.459 178 HH21 ARG 25 HH21 ARG 25 6.855 -4.422 5.308 179 HH22 ARG 25 HH22 ARG 25 5.414 -4.388 6.275 180 H ASN 26 HN ASN 26 2.453 -9.528 -0.566 181 HA ASN 26 HA ASN 26 4.038 -11.738 -1.444 182 HB2 ASN 26 HB2 ASN 26 1.098 -11.159 -1.460 183 HB3 ASN 26 HB1 ASN 26 1.727 -12.530 -2.361 184 HD21 ASN 26 HD21 ASN 26 1.239 -11.153 0.762 185 HD22 ASN 26 HD22 ASN 26 1.524 -12.592 1.679 186 H ASN 27 HN ASN 27 2.382 -9.112 -3.026 187 HA ASN 27 HA ASN 27 2.790 -10.290 -5.631 188 HB2 ASN 27 HB2 ASN 27 1.584 -7.639 -4.830 189 HB3 ASN 27 HB1 ASN 27 1.627 -8.273 -6.473 190 HD21 ASN 27 HD21 ASN 27 0.232 -8.595 -3.304 191 HD22 ASN 27 HD22 ASN 27 -1.073 -9.641 -3.777 192 H GLU 28 HN GLU 28 3.851 -7.329 -3.936 193 HA GLU 28 HA GLU 28 5.861 -7.016 -6.064 194 HB2 GLU 28 HB2 GLU 28 4.000 -5.284 -5.725 195 HB3 GLU 28 HB1 GLU 28 4.871 -4.813 -4.274 196 HG2 GLU 28 HG2 GLU 28 5.460 -3.353 -6.075 197 HG3 GLU 28 HG1 GLU 28 6.854 -4.349 -5.658 198 H HIS 29 HN HIS 29 5.370 -7.267 -2.640 199 HA HIS 29 HA HIS 29 6.738 -7.624 -0.925 200 HB2 HIS 29 HB2 HIS 29 7.967 -9.179 -2.453 201 HB3 HIS 29 HB1 HIS 29 9.045 -7.843 -2.862 202 HD1 HIS 29 HD1 HIS 29 7.750 -9.291 0.412 203 HD2 HIS 29 HD2 HIS 29 11.294 -8.014 -1.343 204 HE1 HIS 29 HE1 HIS 29 9.458 -9.365 2.235 205 HE2 HIS 29 HE2 HIS 29 11.614 -8.618 1.154 206 H LEU 30 HN LEU 30 6.027 -5.145 -1.157 207 HA LEU 30 HA LEU 30 8.337 -3.424 -1.295 208 HB2 LEU 30 HB2 LEU 30 5.547 -2.691 -0.454 209 HB3 LEU 30 HB1 LEU 30 6.845 -1.589 -0.857 210 HG LEU 30 HG LEU 30 5.247 -3.342 -2.702 211 HD11 LEU 30 HD11 LEU 30 4.324 -1.172 -2.254 212 HD12 LEU 30 HD12 LEU 30 4.969 -1.198 -3.897 213 HD13 LEU 30 HD13 LEU 30 5.869 -0.401 -2.605 214 HD21 LEU 30 HD21 LEU 30 6.773 -2.633 -4.509 215 HD22 LEU 30 HD22 LEU 30 7.541 -3.706 -3.339 216 HD23 LEU 30 HD23 LEU 30 7.865 -1.972 -3.292 217 H LEU 31 HN LEU 31 7.870 -1.566 0.697 218 HA LEU 31 HA LEU 31 9.289 -3.103 2.718 219 HB2 LEU 31 HB2 LEU 31 9.024 -0.122 2.547 220 HB3 LEU 31 HB1 LEU 31 10.280 -1.052 3.350 221 HG LEU 31 HG LEU 31 9.796 -0.836 0.386 222 HD11 LEU 31 HD11 LEU 31 12.115 0.027 2.118 223 HD12 LEU 31 HD12 LEU 31 10.921 1.094 1.379 224 HD13 LEU 31 HD13 LEU 31 12.033 0.173 0.364 225 HD21 LEU 31 HD21 LEU 31 10.451 -3.089 0.864 226 HD22 LEU 31 HD22 LEU 31 11.779 -2.539 1.888 227 HD23 LEU 31 HD23 LEU 31 11.821 -2.238 0.150 228 H SER 32 HN SER 32 6.638 -0.686 2.704 229 HA SER 32 HA SER 32 6.075 -1.468 5.497 230 HB2 SER 32 HB2 SER 32 6.071 1.013 4.718 231 HB3 SER 32 HB1 SER 32 4.548 0.611 3.946 232 HG SER 32 HG SER 32 4.876 -0.074 6.633 233 H GLY 33 HN GLY 33 5.071 -1.715 2.299 234 HA2 GLY 33 HA2 GLY 33 3.600 -2.986 1.234 235 HA3 GLY 33 HA1 GLY 33 3.600 -4.040 2.625 236 H ARG 34 HN ARG 34 2.454 -0.762 3.111 237 HA ARG 34 HA ARG 34 -0.119 -1.912 3.743 238 HB2 ARG 34 HB2 ARG 34 1.435 0.490 4.229 239 HB3 ARG 34 HB1 ARG 34 -0.258 0.869 4.022 240 HG2 ARG 34 HG2 ARG 34 -0.787 -0.677 5.867 241 HG3 ARG 34 HG1 ARG 34 0.936 -1.041 6.040 242 HD2 ARG 34 HD2 ARG 34 1.430 1.214 6.644 243 HD3 ARG 34 HD1 ARG 34 -0.195 1.754 6.220 244 HE ARG 34 HE ARG 34 -0.715 0.002 8.162 245 HH11 ARG 34 HH11 ARG 34 1.754 2.484 7.995 246 HH12 ARG 34 HH12 ARG 34 1.643 2.885 9.678 247 HH21 ARG 34 HH21 ARG 34 -0.859 0.526 10.381 248 HH22 ARG 34 HH22 ARG 34 0.158 1.771 11.037 249 H CYS 35 HN CYS 35 -0.546 -2.568 1.329 250 HA CYS 35 HA CYS 35 -1.638 -0.327 -0.198 251 HB2 CYS 35 HB2 CYS 35 -0.462 -1.443 -1.771 252 HB3 CYS 35 HB1 CYS 35 -0.636 -2.987 -0.947 253 H ARG 36 HN ARG 36 -3.740 0.262 0.158 254 HA ARG 36 HA ARG 36 -5.647 -1.644 -0.816 255 HB2 ARG 36 HB2 ARG 36 -7.254 -1.223 1.156 256 HB3 ARG 36 HB1 ARG 36 -6.014 -2.448 1.314 257 HG2 ARG 36 HG2 ARG 36 -4.641 -0.641 2.442 258 HG3 ARG 36 HG1 ARG 36 -6.147 0.260 2.558 259 HD2 ARG 36 HD2 ARG 36 -7.127 -1.807 3.619 260 HD3 ARG 36 HD1 ARG 36 -5.500 -2.431 3.766 261 HE ARG 36 HE ARG 36 -5.666 0.180 4.853 262 HH11 ARG 36 HH11 ARG 36 -6.514 -3.144 5.625 263 HH12 ARG 36 HH12 ARG 36 -6.572 -2.848 7.332 264 HH21 ARG 36 HH21 ARG 36 -5.749 0.539 7.101 265 HH22 ARG 36 HH22 ARG 36 -6.142 -0.774 8.163 266 H ASP 37 HN ASP 37 -8.015 -0.543 -0.465 267 HA ASP 37 HA ASP 37 -7.711 2.165 -1.588 268 HB2 ASP 37 HB2 ASP 37 -8.215 0.813 -3.449 269 HB3 ASP 37 HB1 ASP 37 -9.381 -0.144 -2.544 270 H ASP 38 HN ASP 38 -10.496 0.145 -0.708 271 HA ASP 38 HA ASP 38 -12.092 2.179 0.290 272 HB2 ASP 38 HB2 ASP 38 -12.904 -0.087 -0.215 273 HB3 ASP 38 HB1 ASP 38 -12.012 -0.713 1.166 274 H PHE 39 HN PHE 39 -9.797 0.100 1.928 275 HA PHE 39 HA PHE 39 -9.932 1.801 4.313 276 HB2 PHE 39 HB2 PHE 39 -8.363 -0.738 3.988 277 HB3 PHE 39 HB1 PHE 39 -8.870 0.022 5.482 278 HD1 PHE 39 HD1 PHE 39 -11.257 -0.059 6.145 279 HD2 PHE 39 HD2 PHE 39 -9.755 -2.301 2.839 280 HE1 PHE 39 HE1 PHE 39 -13.261 -1.483 6.204 281 HE2 PHE 39 HE2 PHE 39 -11.764 -3.717 2.898 282 HZ PHE 39 HZ PHE 39 -13.518 -3.313 4.578 283 H ARG 40 HN ARG 40 -7.588 2.257 5.237 284 HA ARG 40 HA ARG 40 -6.047 3.096 2.872 285 HB2 ARG 40 HB2 ARG 40 -6.523 4.716 5.385 286 HB3 ARG 40 HB1 ARG 40 -5.545 5.216 4.015 287 HG2 ARG 40 HG2 ARG 40 -7.507 6.335 3.614 288 HG3 ARG 40 HG1 ARG 40 -7.741 4.869 2.662 289 HD2 ARG 40 HD2 ARG 40 -8.919 3.910 4.694 290 HD3 ARG 40 HD1 ARG 40 -8.901 5.545 5.352 291 HE ARG 40 HE ARG 40 -10.072 5.166 2.708 292 HH11 ARG 40 HH11 ARG 40 -10.565 5.667 6.137 293 HH12 ARG 40 HH12 ARG 40 -12.223 6.145 5.955 294 HH21 ARG 40 HH21 ARG 40 -12.253 5.788 2.467 295 HH22 ARG 40 HH22 ARG 40 -13.179 6.230 3.871 296 H CYS 41 HN CYS 41 -4.076 2.413 2.823 297 HA CYS 41 HA CYS 41 -2.574 2.030 5.318 298 HB2 CYS 41 HB2 CYS 41 -3.354 0.072 3.308 299 HB3 CYS 41 HB1 CYS 41 -1.654 0.014 3.668 300 H TRP 42 HN TRP 42 -0.434 2.838 5.240 301 HA TRP 42 HA TRP 42 0.562 4.158 2.867 302 HB2 TRP 42 HB2 TRP 42 1.920 3.646 5.518 303 HB3 TRP 42 HB1 TRP 42 2.496 4.736 4.271 304 HD1 TRP 42 HD1 TRP 42 -0.132 4.451 7.031 305 HE1 TRP 42 HE1 TRP 42 -1.063 6.800 7.524 306 HE3 TRP 42 HE3 TRP 42 2.088 7.020 3.215 307 HZ2 TRP 42 HZ2 TRP 42 -0.892 9.398 6.421 308 HZ3 TRP 42 HZ3 TRP 42 1.651 9.416 2.999 309 HH2 TRP 42 HH2 TRP 42 0.195 10.591 4.571 310 H CYS 43 HN CYS 43 1.372 2.749 1.197 311 HA CYS 43 HA CYS 43 3.154 0.611 2.117 312 HB2 CYS 43 HB2 CYS 43 1.449 0.294 0.156 313 HB3 CYS 43 HB1 CYS 43 2.674 1.127 -0.800 314 H THR 44 HN THR 44 5.216 0.923 2.326 315 HA THR 44 HA THR 44 6.486 3.265 1.145 316 HB THR 44 HB THR 44 7.721 1.365 3.136 317 HG1 THR 44 HG1 THR 44 6.755 3.664 4.215 318 HG21 THR 44 HG21 THR 44 9.331 2.825 2.194 319 HG22 THR 44 HG22 THR 44 8.937 3.468 3.789 320 HG23 THR 44 HG23 THR 44 8.259 4.217 2.341 321 H ASN 45 HN ASN 45 7.996 3.157 -0.387 322 HA ASN 45 HA ASN 45 9.700 0.878 -0.757 323 HB2 ASN 45 HB2 ASN 45 7.623 0.191 -1.989 324 HB3 ASN 45 HB1 ASN 45 7.821 1.599 -3.026 325 HD21 ASN 45 HD21 ASN 45 9.257 -1.450 -2.044 326 HD22 ASN 45 HD22 ASN 45 10.204 -1.678 -3.478 327 H ARG 46 HN ARG 46 10.999 1.446 -3.019 328 HA ARG 46 HA ARG 46 11.914 4.164 -2.495 329 HB2 ARG 46 HB2 ARG 46 13.189 2.156 -4.356 330 HB3 ARG 46 HB1 ARG 46 13.911 3.602 -3.679 331 HG2 ARG 46 HG2 ARG 46 14.866 2.093 -2.308 332 HG3 ARG 46 HG1 ARG 46 13.370 2.351 -1.409 333 HD2 ARG 46 HD2 ARG 46 12.383 0.401 -2.471 334 HD3 ARG 46 HD1 ARG 46 13.858 0.141 -3.397 335 HE ARG 46 HE ARG 46 14.538 0.205 -0.693 336 HH11 ARG 46 HH11 ARG 46 12.715 -1.800 -2.900 337 HH12 ARG 46 HH12 ARG 46 13.013 -3.264 -2.025 338 HH21 ARG 46 HH21 ARG 46 14.946 -1.718 0.463 339 HH22 ARG 46 HH22 ARG 46 14.303 -3.219 -0.114 340 H CYS 47 HN CYS 47 11.441 5.821 -3.818 341 HA CYS 47 HA CYS 47 10.221 5.145 -6.397 342 HB2 CYS 47 HB2 CYS 47 9.068 7.288 -6.311 343 HB3 CYS 47 HB1 CYS 47 8.728 6.357 -4.862 Start of MODEL 13 1 H1 LYS 1 HT1 LYS 1 11.960 5.971 7.598 2 H2 LYS 1 HT2 LYS 1 11.973 7.201 6.443 3 H3 LYS 1 HT3 LYS 1 13.296 6.164 6.584 4 HA LYS 1 HA LYS 1 11.950 4.296 5.881 5 HB2 LYS 1 HB2 LYS 1 9.842 6.440 5.626 6 HB3 LYS 1 HB1 LYS 1 9.728 4.893 4.810 7 HG2 LYS 1 HG2 LYS 1 9.896 3.837 7.104 8 HG3 LYS 1 HG1 LYS 1 9.623 5.461 7.749 9 HD2 LYS 1 HD2 LYS 1 7.563 5.584 6.323 10 HD3 LYS 1 HD1 LYS 1 7.810 3.885 5.924 11 HE2 LYS 1 HE2 LYS 1 6.229 3.925 7.674 12 HE3 LYS 1 HE1 LYS 1 7.753 3.417 8.401 13 HZ1 LYS 1 HZ1 LYS 1 6.598 5.053 9.756 14 HZ2 LYS 1 HZ2 LYS 1 6.641 6.167 8.487 15 HZ3 LYS 1 HZ3 LYS 1 8.081 5.659 9.213 16 H THR 2 HN THR 2 11.084 4.078 3.553 17 HA THR 2 HA THR 2 12.409 5.988 1.764 18 HB THR 2 HB THR 2 12.171 4.390 -0.016 19 HG1 THR 2 HG1 THR 2 10.365 3.278 0.301 20 HG21 THR 2 HG21 THR 2 13.208 3.029 2.472 21 HG22 THR 2 HG22 THR 2 14.122 4.129 1.440 22 HG23 THR 2 HG23 THR 2 13.583 2.574 0.809 23 H CYS 3 HN CYS 3 10.931 5.932 -0.433 24 HA CYS 3 HA CYS 3 8.977 7.830 0.081 25 HB2 CYS 3 HB2 CYS 3 8.773 6.012 -2.297 26 HB3 CYS 3 HB1 CYS 3 8.508 7.751 -2.200 27 H GLU 4 HN GLU 4 7.115 7.600 1.145 28 HA GLU 4 HA GLU 4 5.590 5.115 0.787 29 HB2 GLU 4 HB2 GLU 4 6.694 4.915 2.930 30 HB3 GLU 4 HB1 GLU 4 6.167 6.522 3.400 31 HG2 GLU 4 HG2 GLU 4 3.805 5.701 3.245 32 HG3 GLU 4 HG1 GLU 4 4.455 4.078 3.016 33 H ASN 5 HN ASN 5 3.469 5.368 0.493 34 HA ASN 5 HA ASN 5 2.263 7.881 1.377 35 HB2 ASN 5 HB2 ASN 5 0.981 8.171 -0.618 36 HB3 ASN 5 HB1 ASN 5 2.658 8.007 -1.094 37 HD21 ASN 5 HD21 ASN 5 -0.471 6.493 -1.026 38 HD22 ASN 5 HD22 ASN 5 -0.128 5.291 -2.230 39 H LEU 6 HN LEU 6 0.064 7.757 1.790 40 HA LEU 6 HA LEU 6 -0.856 5.128 2.590 41 HB2 LEU 6 HB2 LEU 6 -1.175 7.601 3.673 42 HB3 LEU 6 HB1 LEU 6 -2.667 7.459 2.765 43 HG LEU 6 HG LEU 6 -1.702 5.599 4.981 44 HD11 LEU 6 HD11 LEU 6 -2.598 7.733 5.758 45 HD12 LEU 6 HD12 LEU 6 -3.720 6.421 6.118 46 HD13 LEU 6 HD13 LEU 6 -4.044 7.513 4.772 47 HD21 LEU 6 HD21 LEU 6 -3.887 4.513 4.687 48 HD22 LEU 6 HD22 LEU 6 -2.803 4.285 3.318 49 HD23 LEU 6 HD23 LEU 6 -4.140 5.445 3.208 50 H SER 7 HN SER 7 -2.391 3.982 1.487 51 HA SER 7 HA SER 7 -2.889 4.958 -1.213 52 HB2 SER 7 HB2 SER 7 -3.470 2.475 -1.560 53 HB3 SER 7 HB1 SER 7 -1.782 2.888 -1.264 54 HG SER 7 HG SER 7 -2.020 2.221 0.865 55 H GLY 8 HN GLY 8 -4.890 4.660 -2.244 56 HA2 GLY 8 HA2 GLY 8 -7.149 3.843 -2.232 57 HA3 GLY 8 HA1 GLY 8 -7.196 4.102 -0.495 58 H THR 9 HN THR 9 -8.534 5.687 -0.023 59 HA THR 9 HA THR 9 -9.238 7.816 -1.720 60 HB THR 9 HB THR 9 -10.545 7.184 0.306 61 HG1 THR 9 HG1 THR 9 -11.017 9.201 -0.458 62 HG21 THR 9 HG21 THR 9 -9.814 8.040 2.506 63 HG22 THR 9 HG22 THR 9 -8.262 8.490 1.793 64 HG23 THR 9 HG23 THR 9 -8.739 6.793 1.874 65 H PHE 10 HN PHE 10 -6.582 7.212 0.374 66 HA PHE 10 HA PHE 10 -5.477 9.879 0.150 67 HB2 PHE 10 HB2 PHE 10 -4.533 7.335 1.467 68 HB3 PHE 10 HB1 PHE 10 -3.532 8.776 1.366 69 HD1 PHE 10 HD1 PHE 10 -6.464 7.256 2.911 70 HD2 PHE 10 HD2 PHE 10 -4.006 10.706 2.665 71 HE1 PHE 10 HE1 PHE 10 -7.482 8.113 4.985 72 HE2 PHE 10 HE2 PHE 10 -5.014 11.583 4.739 73 HZ PHE 10 HZ PHE 10 -6.754 10.283 5.902 74 H LYS 11 HN LYS 11 -4.235 10.462 -1.508 75 HA LYS 11 HA LYS 11 -2.541 10.465 -3.003 76 HB2 LYS 11 HB2 LYS 11 -1.575 8.424 -1.014 77 HB3 LYS 11 HB1 LYS 11 -0.568 9.023 -2.316 78 HG2 LYS 11 HG2 LYS 11 0.036 10.290 -0.460 79 HG3 LYS 11 HG1 LYS 11 -1.013 11.348 -1.386 80 HD2 LYS 11 HD2 LYS 11 -2.874 10.695 0.118 81 HD3 LYS 11 HD1 LYS 11 -1.728 9.784 1.108 82 HE2 LYS 11 HE2 LYS 11 -0.462 11.834 1.515 83 HE3 LYS 11 HE1 LYS 11 -1.585 12.744 0.510 84 HZ1 LYS 11 HZ1 LYS 11 -2.057 12.997 2.868 85 HZ2 LYS 11 HZ2 LYS 11 -2.295 11.332 3.022 86 HZ3 LYS 11 HZ3 LYS 11 -3.345 12.252 2.068 87 H GLY 12 HN GLY 12 -4.726 8.512 -3.679 88 HA2 GLY 12 HA2 GLY 12 -4.697 7.551 -5.920 89 HA3 GLY 12 HA1 GLY 12 -3.096 6.933 -5.569 90 HA PRO 13 HA PRO 13 -6.893 4.145 -4.068 91 HB2 PRO 13 HB2 PRO 13 -7.195 3.225 -6.859 92 HB3 PRO 13 HB1 PRO 13 -8.432 3.604 -5.657 93 HG2 PRO 13 HG2 PRO 13 -7.970 5.235 -7.718 94 HG3 PRO 13 HG1 PRO 13 -8.357 5.875 -6.110 95 HD2 PRO 13 HD2 PRO 13 -5.704 5.677 -7.481 96 HD3 PRO 13 HD1 PRO 13 -6.372 6.993 -6.492 97 H CYS 14 HN CYS 14 -7.015 1.725 -4.247 98 HA CYS 14 HA CYS 14 -4.829 0.380 -5.536 99 HB2 CYS 14 HB2 CYS 14 -3.672 1.117 -3.537 100 HB3 CYS 14 HB1 CYS 14 -4.946 0.458 -2.518 101 H ILE 15 HN ILE 15 -6.492 -0.754 -2.594 102 HA ILE 15 HA ILE 15 -8.122 -2.583 -4.188 103 HB ILE 15 HB ILE 15 -7.320 -4.536 -2.852 104 HG12 ILE 15 HG12 ILE 15 -5.011 -2.698 -2.197 105 HG13 ILE 15 HG11 ILE 15 -6.268 -3.146 -1.055 106 HG21 ILE 15 HG21 ILE 15 -5.267 -3.223 -4.630 107 HG22 ILE 15 HG22 ILE 15 -6.621 -4.217 -5.167 108 HG23 ILE 15 HG23 ILE 15 -5.326 -4.934 -4.210 109 HD11 ILE 15 HD11 ILE 15 -4.253 -4.957 -2.345 110 HD12 ILE 15 HD12 ILE 15 -5.603 -5.512 -1.362 111 HD13 ILE 15 HD13 ILE 15 -4.355 -4.494 -0.646 112 HA PRO 16 HA PRO 16 -10.644 -1.842 -0.619 113 HB2 PRO 16 HB2 PRO 16 -12.890 -3.011 -1.519 114 HB3 PRO 16 HB1 PRO 16 -12.263 -1.514 -2.216 115 HG2 PRO 16 HG2 PRO 16 -12.284 -4.242 -3.334 116 HG3 PRO 16 HG1 PRO 16 -12.182 -2.685 -4.168 117 HD2 PRO 16 HD2 PRO 16 -10.048 -4.497 -3.515 118 HD3 PRO 16 HD1 PRO 16 -9.945 -2.947 -4.366 119 H ASP 17 HN ASP 17 -9.086 -4.600 -1.002 120 HA ASP 17 HA ASP 17 -10.871 -6.475 0.259 121 HB2 ASP 17 HB2 ASP 17 -7.905 -6.754 -0.230 122 HB3 ASP 17 HB1 ASP 17 -9.040 -8.051 0.121 123 H GLY 18 HN GLY 18 -8.460 -4.235 1.343 124 HA2 GLY 18 HA2 GLY 18 -8.119 -3.456 3.477 125 HA3 GLY 18 HA1 GLY 18 -9.371 -4.543 4.034 126 H ASN 19 HN ASN 19 -6.564 -5.651 2.330 127 HA ASN 19 HA ASN 19 -5.583 -7.039 4.718 128 HB2 ASN 19 HB2 ASN 19 -4.260 -8.312 3.034 129 HB3 ASN 19 HB1 ASN 19 -6.000 -8.418 2.764 130 HD21 ASN 19 HD21 ASN 19 -6.921 -7.030 1.175 131 HD22 ASN 19 HD22 ASN 19 -5.986 -6.483 -0.167 132 H CYS 20 HN CYS 20 -4.751 -4.869 2.163 133 HA CYS 20 HA CYS 20 -3.022 -3.758 1.473 134 HB2 CYS 20 HB2 CYS 20 -2.161 -2.087 2.908 135 HB3 CYS 20 HB1 CYS 20 -3.851 -2.325 3.225 136 H ASN 21 HN ASN 21 -1.539 -4.884 4.521 137 HA ASN 21 HA ASN 21 1.039 -4.755 3.646 138 HB2 ASN 21 HB2 ASN 21 -0.231 -6.628 5.611 139 HB3 ASN 21 HB1 ASN 21 1.496 -6.667 5.300 140 HD21 ASN 21 HD21 ASN 21 1.542 -3.746 4.862 141 HD22 ASN 21 HD22 ASN 21 1.435 -3.066 6.444 142 H LYS 22 HN LYS 22 -0.872 -7.781 3.583 143 HA LYS 22 HA LYS 22 1.184 -9.222 2.350 144 HB2 LYS 22 HB2 LYS 22 -0.433 -10.982 1.979 145 HB3 LYS 22 HB1 LYS 22 -0.603 -10.310 3.591 146 HG2 LYS 22 HG2 LYS 22 -2.536 -8.976 2.769 147 HG3 LYS 22 HG1 LYS 22 -2.387 -9.818 1.222 148 HD2 LYS 22 HD2 LYS 22 -2.689 -11.964 2.362 149 HD3 LYS 22 HD1 LYS 22 -2.852 -11.121 3.900 150 HE2 LYS 22 HE2 LYS 22 -4.880 -10.066 3.182 151 HE3 LYS 22 HE1 LYS 22 -4.672 -10.692 1.540 152 HZ1 LYS 22 HZ1 LYS 22 -5.144 -12.328 3.974 153 HZ2 LYS 22 HZ2 LYS 22 -4.924 -12.939 2.413 154 HZ3 LYS 22 HZ3 LYS 22 -6.280 -11.993 2.767 155 H HIS 23 HN HIS 23 -1.282 -7.176 0.903 156 HA HIS 23 HA HIS 23 -1.070 -8.275 -1.705 157 HB2 HIS 23 HB2 HIS 23 -2.899 -6.706 -0.951 158 HB3 HIS 23 HB1 HIS 23 -1.729 -5.395 -1.088 159 HD1 HIS 23 HD1 HIS 23 -1.227 -4.508 -3.433 160 HD2 HIS 23 HD2 HIS 23 -3.640 -7.891 -3.438 161 HE1 HIS 23 HE1 HIS 23 -2.049 -4.751 -5.794 162 HE2 HIS 23 HE2 HIS 23 -3.402 -6.877 -5.802 163 H CYS 24 HN CYS 24 0.348 -5.265 -0.389 164 HA CYS 24 HA CYS 24 2.075 -4.780 -2.540 165 HB2 CYS 24 HB2 CYS 24 2.075 -4.002 0.332 166 HB3 CYS 24 HB1 CYS 24 3.570 -3.813 -0.562 167 H ARG 25 HN ARG 25 2.543 -6.683 0.425 168 HA ARG 25 HA ARG 25 5.366 -6.892 -0.031 169 HB2 ARG 25 HB2 ARG 25 3.668 -8.328 2.004 170 HB3 ARG 25 HB1 ARG 25 5.417 -8.138 2.037 171 HG2 ARG 25 HG2 ARG 25 3.469 -5.860 2.129 172 HG3 ARG 25 HG1 ARG 25 4.215 -6.596 3.547 173 HD2 ARG 25 HD2 ARG 25 6.143 -5.891 1.496 174 HD3 ARG 25 HD1 ARG 25 5.235 -4.483 2.074 175 HE ARG 25 HE ARG 25 6.090 -4.857 4.246 176 HH11 ARG 25 HH11 ARG 25 7.393 -7.152 1.936 177 HH12 ARG 25 HH12 ARG 25 8.707 -7.617 2.962 178 HH21 ARG 25 HH21 ARG 25 7.811 -5.483 5.585 179 HH22 ARG 25 HH22 ARG 25 8.940 -6.679 5.035 180 H ASN 26 HN ASN 26 2.628 -9.112 -0.411 181 HA ASN 26 HA ASN 26 4.402 -11.336 -0.962 182 HB2 ASN 26 HB2 ASN 26 1.400 -11.051 -1.085 183 HB3 ASN 26 HB1 ASN 26 2.233 -12.506 -1.605 184 HD21 ASN 26 HD21 ASN 26 3.427 -10.656 1.056 185 HD22 ASN 26 HD22 ASN 26 2.971 -11.763 2.303 186 H ASN 27 HN ASN 27 2.432 -9.069 -2.764 187 HA ASN 27 HA ASN 27 2.867 -10.491 -5.239 188 HB2 ASN 27 HB2 ASN 27 1.442 -7.883 -4.693 189 HB3 ASN 27 HB1 ASN 27 1.494 -8.694 -6.253 190 HD21 ASN 27 HD21 ASN 27 0.180 -8.713 -3.049 191 HD22 ASN 27 HD22 ASN 27 -1.029 -9.924 -3.332 192 H GLU 28 HN GLU 28 3.742 -7.302 -3.898 193 HA GLU 28 HA GLU 28 5.544 -6.946 -6.198 194 HB2 GLU 28 HB2 GLU 28 3.622 -5.297 -5.542 195 HB3 GLU 28 HB1 GLU 28 4.766 -4.737 -4.333 196 HG2 GLU 28 HG2 GLU 28 4.904 -3.336 -6.262 197 HG3 GLU 28 HG1 GLU 28 6.390 -4.279 -6.132 198 H HIS 29 HN HIS 29 5.393 -7.199 -2.758 199 HA HIS 29 HA HIS 29 6.946 -7.620 -1.202 200 HB2 HIS 29 HB2 HIS 29 8.041 -8.912 -3.160 201 HB3 HIS 29 HB1 HIS 29 9.141 -7.542 -3.264 202 HD1 HIS 29 HD1 HIS 29 10.449 -7.013 -0.907 203 HD2 HIS 29 HD2 HIS 29 8.797 -10.800 -1.366 204 HE1 HIS 29 HE1 HIS 29 11.567 -8.452 0.821 205 HE2 HIS 29 HE2 HIS 29 10.700 -10.777 0.388 206 H LEU 30 HN LEU 30 6.109 -5.018 -1.600 207 HA LEU 30 HA LEU 30 8.376 -3.275 -1.708 208 HB2 LEU 30 HB2 LEU 30 5.676 -2.562 -0.600 209 HB3 LEU 30 HB1 LEU 30 6.915 -1.474 -1.178 210 HG LEU 30 HG LEU 30 5.100 -3.251 -2.789 211 HD11 LEU 30 HD11 LEU 30 5.691 -0.302 -2.899 212 HD12 LEU 30 HD12 LEU 30 4.281 -1.026 -2.132 213 HD13 LEU 30 HD13 LEU 30 4.510 -1.166 -3.880 214 HD21 LEU 30 HD21 LEU 30 7.550 -1.788 -3.763 215 HD22 LEU 30 HD22 LEU 30 6.349 -2.581 -4.780 216 HD23 LEU 30 HD23 LEU 30 7.346 -3.537 -3.686 217 H LEU 31 HN LEU 31 7.932 -1.496 0.442 218 HA LEU 31 HA LEU 31 9.432 -3.122 2.341 219 HB2 LEU 31 HB2 LEU 31 9.080 -0.143 2.401 220 HB3 LEU 31 HB1 LEU 31 10.340 -1.099 3.167 221 HG LEU 31 HG LEU 31 9.957 -0.603 0.226 222 HD11 LEU 31 HD11 LEU 31 11.034 1.206 1.431 223 HD12 LEU 31 HD12 LEU 31 12.186 0.380 0.381 224 HD13 LEU 31 HD13 LEU 31 12.198 0.073 2.117 225 HD21 LEU 31 HD21 LEU 31 11.992 -1.976 -0.078 226 HD22 LEU 31 HD22 LEU 31 10.587 -2.892 0.469 227 HD23 LEU 31 HD23 LEU 31 11.866 -2.471 1.611 228 H SER 32 HN SER 32 6.770 -0.721 2.579 229 HA SER 32 HA SER 32 6.214 -1.833 5.260 230 HB2 SER 32 HB2 SER 32 5.458 0.672 3.842 231 HB3 SER 32 HB1 SER 32 4.436 0.087 5.138 232 HG SER 32 HG SER 32 6.501 1.562 5.428 233 H GLY 33 HN GLY 33 4.796 -1.413 2.148 234 HA2 GLY 33 HA2 GLY 33 3.486 -2.872 1.009 235 HA3 GLY 33 HA1 GLY 33 3.541 -3.950 2.378 236 H ARG 34 HN ARG 34 2.333 -0.830 3.163 237 HA ARG 34 HA ARG 34 -0.231 -2.024 3.704 238 HB2 ARG 34 HB2 ARG 34 1.307 0.369 4.337 239 HB3 ARG 34 HB1 ARG 34 -0.405 0.699 4.228 240 HG2 ARG 34 HG2 ARG 34 -0.782 -1.022 5.969 241 HG3 ARG 34 HG1 ARG 34 0.969 -1.264 6.067 242 HD2 ARG 34 HD2 ARG 34 -0.466 1.358 6.529 243 HD3 ARG 34 HD1 ARG 34 0.148 0.316 7.799 244 HE ARG 34 HE ARG 34 1.885 1.593 5.782 245 HH11 ARG 34 HH11 ARG 34 1.306 0.532 9.069 246 HH12 ARG 34 HH12 ARG 34 2.755 1.257 9.687 247 HH21 ARG 34 HH21 ARG 34 3.789 2.577 6.595 248 HH22 ARG 34 HH22 ARG 34 4.164 2.405 8.286 249 H CYS 35 HN CYS 35 -0.726 -2.427 1.247 250 HA CYS 35 HA CYS 35 -1.752 0.002 -0.053 251 HB2 CYS 35 HB2 CYS 35 -0.300 -1.883 -1.166 252 HB3 CYS 35 HB1 CYS 35 -1.865 -2.659 -1.379 253 H ARG 36 HN ARG 36 -3.913 0.572 0.346 254 HA ARG 36 HA ARG 36 -5.881 -1.463 -0.358 255 HB2 ARG 36 HB2 ARG 36 -6.488 0.396 1.924 256 HB3 ARG 36 HB1 ARG 36 -7.365 -1.038 1.416 257 HG2 ARG 36 HG2 ARG 36 -5.466 -2.411 2.142 258 HG3 ARG 36 HG1 ARG 36 -4.694 -0.936 2.701 259 HD2 ARG 36 HD2 ARG 36 -6.436 -0.559 4.305 260 HD3 ARG 36 HD1 ARG 36 -7.334 -1.930 3.673 261 HE ARG 36 HE ARG 36 -4.900 -2.929 4.490 262 HH11 ARG 36 HH11 ARG 36 -7.584 -1.257 5.998 263 HH12 ARG 36 HH12 ARG 36 -7.347 -2.014 7.539 264 HH21 ARG 36 HH21 ARG 36 -4.595 -3.932 6.528 265 HH22 ARG 36 HH22 ARG 36 -5.667 -3.537 7.833 266 H ASP 37 HN ASP 37 -8.112 -0.361 -0.618 267 HA ASP 37 HA ASP 37 -7.737 2.246 -1.925 268 HB2 ASP 37 HB2 ASP 37 -8.345 0.646 -3.582 269 HB3 ASP 37 HB1 ASP 37 -9.639 0.004 -2.576 270 H ASP 38 HN ASP 38 -10.709 0.571 -0.975 271 HA ASP 38 HA ASP 38 -12.003 2.820 0.082 272 HB2 ASP 38 HB2 ASP 38 -13.220 0.787 -0.526 273 HB3 ASP 38 HB1 ASP 38 -12.376 -0.121 0.726 274 H PHE 39 HN PHE 39 -10.008 0.378 1.472 275 HA PHE 39 HA PHE 39 -10.037 1.496 4.139 276 HB2 PHE 39 HB2 PHE 39 -8.686 -0.845 2.821 277 HB3 PHE 39 HB1 PHE 39 -8.418 -0.432 4.503 278 HD1 PHE 39 HD1 PHE 39 -10.126 -2.536 2.396 279 HD2 PHE 39 HD2 PHE 39 -10.816 -0.029 5.776 280 HE1 PHE 39 HE1 PHE 39 -12.140 -3.839 2.959 281 HE2 PHE 39 HE2 PHE 39 -12.817 -1.338 6.345 282 HZ PHE 39 HZ PHE 39 -13.482 -3.242 4.936 283 H ARG 40 HN ARG 40 -7.816 1.884 5.192 284 HA ARG 40 HA ARG 40 -6.095 3.240 3.216 285 HB2 ARG 40 HB2 ARG 40 -5.664 4.925 5.055 286 HB3 ARG 40 HB1 ARG 40 -7.288 4.939 4.387 287 HG2 ARG 40 HG2 ARG 40 -8.093 3.652 6.300 288 HG3 ARG 40 HG1 ARG 40 -6.461 3.624 6.970 289 HD2 ARG 40 HD2 ARG 40 -8.003 6.144 6.388 290 HD3 ARG 40 HD1 ARG 40 -7.981 5.349 7.960 291 HE ARG 40 HE ARG 40 -5.338 5.731 7.301 292 HH11 ARG 40 HH11 ARG 40 -8.154 7.765 7.714 293 HH12 ARG 40 HH12 ARG 40 -7.247 9.137 8.266 294 HH21 ARG 40 HH21 ARG 40 -4.129 7.541 8.024 295 HH22 ARG 40 HH22 ARG 40 -4.952 9.012 8.430 296 H CYS 41 HN CYS 41 -4.189 2.316 3.104 297 HA CYS 41 HA CYS 41 -2.718 1.799 5.581 298 HB2 CYS 41 HB2 CYS 41 -3.471 -0.104 3.511 299 HB3 CYS 41 HB1 CYS 41 -1.772 -0.159 3.857 300 H TRP 42 HN TRP 42 -0.476 2.454 5.493 301 HA TRP 42 HA TRP 42 0.431 4.011 3.203 302 HB2 TRP 42 HB2 TRP 42 1.780 3.366 5.832 303 HB3 TRP 42 HB1 TRP 42 2.419 4.464 4.624 304 HD1 TRP 42 HD1 TRP 42 -0.341 4.205 7.269 305 HE1 TRP 42 HE1 TRP 42 -1.174 6.585 7.796 306 HE3 TRP 42 HE3 TRP 42 2.238 6.776 3.688 307 HZ2 TRP 42 HZ2 TRP 42 -0.784 9.199 6.805 308 HZ3 TRP 42 HZ3 TRP 42 1.958 9.200 3.545 309 HH2 TRP 42 HH2 TRP 42 0.471 10.395 5.058 310 H CYS 43 HN CYS 43 1.246 2.734 1.436 311 HA CYS 43 HA CYS 43 3.055 0.546 2.194 312 HB2 CYS 43 HB2 CYS 43 1.282 0.142 0.424 313 HB3 CYS 43 HB1 CYS 43 2.218 1.188 -0.646 314 H THR 44 HN THR 44 5.146 0.770 2.205 315 HA THR 44 HA THR 44 6.355 3.220 1.167 316 HB THR 44 HB THR 44 7.653 1.163 2.956 317 HG1 THR 44 HG1 THR 44 6.001 3.368 3.608 318 HG21 THR 44 HG21 THR 44 8.999 3.189 3.629 319 HG22 THR 44 HG22 THR 44 8.279 4.021 2.251 320 HG23 THR 44 HG23 THR 44 9.273 2.592 1.994 321 H ASN 45 HN ASN 45 7.919 3.217 -0.335 322 HA ASN 45 HA ASN 45 9.274 0.803 -1.168 323 HB2 ASN 45 HB2 ASN 45 7.177 0.679 -2.416 324 HB3 ASN 45 HB1 ASN 45 7.424 2.302 -3.040 325 HD21 ASN 45 HD21 ASN 45 8.831 -0.929 -2.958 326 HD22 ASN 45 HD22 ASN 45 9.512 -0.858 -4.551 327 H ARG 46 HN ARG 46 10.752 1.448 -3.136 328 HA ARG 46 HA ARG 46 12.094 3.912 -2.301 329 HB2 ARG 46 HB2 ARG 46 13.109 1.702 -4.097 330 HB3 ARG 46 HB1 ARG 46 14.056 2.993 -3.371 331 HG2 ARG 46 HG2 ARG 46 14.273 1.909 -1.434 332 HG3 ARG 46 HG1 ARG 46 12.593 1.368 -1.436 333 HD2 ARG 46 HD2 ARG 46 13.121 -0.402 -2.984 334 HD3 ARG 46 HD1 ARG 46 14.783 0.173 -3.126 335 HE ARG 46 HE ARG 46 14.625 -0.310 -0.511 336 HH11 ARG 46 HH11 ARG 46 13.597 -2.234 -3.255 337 HH12 ARG 46 HH12 ARG 46 13.869 -3.750 -2.458 338 HH21 ARG 46 HH21 ARG 46 14.993 -2.316 0.540 339 HH22 ARG 46 HH22 ARG 46 14.668 -3.797 -0.305 340 H CYS 47 HN CYS 47 12.137 5.678 -3.601 341 HA CYS 47 HA CYS 47 11.388 5.279 -6.412 342 HB2 CYS 47 HB2 CYS 47 10.221 7.425 -6.401 343 HB3 CYS 47 HB1 CYS 47 9.537 6.341 -5.201 Start of MODEL 14 1 H1 LYS 1 HT1 LYS 1 12.155 8.118 6.123 2 H2 LYS 1 HT2 LYS 1 13.669 7.388 6.279 3 H3 LYS 1 HT3 LYS 1 12.520 7.215 7.508 4 HA LYS 1 HA LYS 1 12.695 5.211 6.173 5 HB2 LYS 1 HB2 LYS 1 10.307 4.952 5.693 6 HB3 LYS 1 HB1 LYS 1 10.549 5.777 7.226 7 HG2 LYS 1 HG2 LYS 1 10.124 7.920 6.126 8 HG3 LYS 1 HG1 LYS 1 9.851 7.075 4.605 9 HD2 LYS 1 HD2 LYS 1 7.718 7.558 5.576 10 HD3 LYS 1 HD1 LYS 1 7.999 5.823 5.721 11 HE2 LYS 1 HE2 LYS 1 7.050 6.765 7.774 12 HE3 LYS 1 HE1 LYS 1 8.662 6.106 8.045 13 HZ1 LYS 1 HZ1 LYS 1 8.295 8.277 9.112 14 HZ2 LYS 1 HZ2 LYS 1 8.085 8.981 7.590 15 HZ3 LYS 1 HZ3 LYS 1 9.576 8.304 8.011 16 H THR 2 HN THR 2 11.057 4.624 4.050 17 HA THR 2 HA THR 2 12.441 5.915 1.812 18 HB THR 2 HB THR 2 11.261 3.865 0.663 19 HG1 THR 2 HG1 THR 2 11.873 2.386 2.838 20 HG21 THR 2 HG21 THR 2 13.652 4.285 0.681 21 HG22 THR 2 HG22 THR 2 13.337 2.592 1.062 22 HG23 THR 2 HG23 THR 2 13.752 3.726 2.351 23 H CYS 3 HN CYS 3 10.842 5.798 -0.265 24 HA CYS 3 HA CYS 3 9.022 7.873 0.320 25 HB2 CYS 3 HB2 CYS 3 8.289 7.737 -1.979 26 HB3 CYS 3 HB1 CYS 3 10.034 7.551 -1.920 27 H GLU 4 HN GLU 4 7.218 7.719 1.381 28 HA GLU 4 HA GLU 4 5.761 5.173 1.328 29 HB2 GLU 4 HB2 GLU 4 6.894 5.524 3.472 30 HB3 GLU 4 HB1 GLU 4 6.113 7.094 3.629 31 HG2 GLU 4 HG2 GLU 4 3.908 5.893 3.563 32 HG3 GLU 4 HG1 GLU 4 4.812 4.381 3.695 33 H ASN 5 HN ASN 5 3.666 5.256 0.881 34 HA ASN 5 HA ASN 5 2.316 7.818 1.158 35 HB2 ASN 5 HB2 ASN 5 1.340 7.697 -1.043 36 HB3 ASN 5 HB1 ASN 5 3.086 7.680 -1.155 37 HD21 ASN 5 HD21 ASN 5 0.203 5.762 -1.382 38 HD22 ASN 5 HD22 ASN 5 0.881 4.491 -2.346 39 H LEU 6 HN LEU 6 0.151 7.714 1.437 40 HA LEU 6 HA LEU 6 -0.726 5.169 2.523 41 HB2 LEU 6 HB2 LEU 6 -0.974 7.683 3.487 42 HB3 LEU 6 HB1 LEU 6 -2.513 7.508 2.665 43 HG LEU 6 HG LEU 6 -1.431 5.768 4.908 44 HD11 LEU 6 HD11 LEU 6 -2.409 7.962 5.537 45 HD12 LEU 6 HD12 LEU 6 -3.342 6.591 6.133 46 HD13 LEU 6 HD13 LEU 6 -3.908 7.497 4.732 47 HD21 LEU 6 HD21 LEU 6 -2.510 4.213 3.643 48 HD22 LEU 6 HD22 LEU 6 -3.693 5.375 3.015 49 HD23 LEU 6 HD23 LEU 6 -3.815 4.806 4.681 50 H SER 7 HN SER 7 -1.793 3.846 1.306 51 HA SER 7 HA SER 7 -2.917 4.772 -1.201 52 HB2 SER 7 HB2 SER 7 -2.677 1.946 -0.164 53 HB3 SER 7 HB1 SER 7 -2.861 2.471 -1.836 54 HG SER 7 HG SER 7 -0.700 3.588 -0.594 55 H GLY 8 HN GLY 8 -5.027 4.989 -1.550 56 HA2 GLY 8 HA2 GLY 8 -7.093 3.423 -0.572 57 HA3 GLY 8 HA1 GLY 8 -6.894 4.740 0.578 58 H THR 9 HN THR 9 -6.730 6.934 -0.472 59 HA THR 9 HA THR 9 -8.424 7.145 -2.844 60 HB THR 9 HB THR 9 -10.021 7.491 -1.115 61 HG1 THR 9 HG1 THR 9 -9.914 9.118 -2.841 62 HG21 THR 9 HG21 THR 9 -9.714 9.109 0.711 63 HG22 THR 9 HG22 THR 9 -8.064 9.407 0.159 64 HG23 THR 9 HG23 THR 9 -8.515 7.815 0.768 65 H PHE 10 HN PHE 10 -6.458 8.934 -0.490 66 HA PHE 10 HA PHE 10 -5.371 10.562 -2.625 67 HB2 PHE 10 HB2 PHE 10 -3.863 11.364 -0.624 68 HB3 PHE 10 HB1 PHE 10 -5.521 11.919 -0.769 69 HD1 PHE 10 HD1 PHE 10 -7.191 11.262 0.792 70 HD2 PHE 10 HD2 PHE 10 -3.231 9.752 1.121 71 HE1 PHE 10 HE1 PHE 10 -7.676 10.492 3.078 72 HE2 PHE 10 HE2 PHE 10 -3.708 8.980 3.401 73 HZ PHE 10 HZ PHE 10 -5.932 9.347 4.384 74 H LYS 11 HN LYS 11 -3.150 10.518 -3.196 75 HA LYS 11 HA LYS 11 -1.194 9.560 -3.768 76 HB2 LYS 11 HB2 LYS 11 -1.545 8.019 -1.201 77 HB3 LYS 11 HB1 LYS 11 -0.110 7.939 -2.209 78 HG2 LYS 11 HG2 LYS 11 0.611 9.520 -0.773 79 HG3 LYS 11 HG1 LYS 11 -0.254 10.592 -1.868 80 HD2 LYS 11 HD2 LYS 11 -2.214 10.426 -0.411 81 HD3 LYS 11 HD1 LYS 11 -1.301 9.412 0.708 82 HE2 LYS 11 HE2 LYS 11 -1.365 11.729 1.469 83 HE3 LYS 11 HE1 LYS 11 0.278 11.245 1.061 84 HZ1 LYS 11 HZ1 LYS 11 0.045 12.382 -1.061 85 HZ2 LYS 11 HZ2 LYS 11 -0.224 13.448 0.221 86 HZ3 LYS 11 HZ3 LYS 11 -1.532 12.847 -0.666 87 H GLY 12 HN GLY 12 -3.910 8.201 -4.299 88 HA2 GLY 12 HA2 GLY 12 -4.297 6.614 -5.994 89 HA3 GLY 12 HA1 GLY 12 -2.701 5.950 -5.704 90 HA PRO 13 HA PRO 13 -5.888 3.482 -3.223 91 HB2 PRO 13 HB2 PRO 13 -7.726 2.472 -4.848 92 HB3 PRO 13 HB1 PRO 13 -7.859 4.135 -4.269 93 HG2 PRO 13 HG2 PRO 13 -6.997 3.117 -6.934 94 HG3 PRO 13 HG1 PRO 13 -7.932 4.569 -6.537 95 HD2 PRO 13 HD2 PRO 13 -5.170 4.445 -7.067 96 HD3 PRO 13 HD1 PRO 13 -6.051 5.820 -6.376 97 H CYS 14 HN CYS 14 -6.291 1.118 -3.225 98 HA CYS 14 HA CYS 14 -4.761 -0.381 -5.235 99 HB2 CYS 14 HB2 CYS 14 -4.656 -0.953 -2.264 100 HB3 CYS 14 HB1 CYS 14 -3.797 -1.828 -3.521 101 H ILE 15 HN ILE 15 -6.437 -1.426 -2.268 102 HA ILE 15 HA ILE 15 -8.393 -2.900 -3.873 103 HB ILE 15 HB ILE 15 -7.921 -4.992 -2.729 104 HG12 ILE 15 HG12 ILE 15 -5.795 -3.345 -1.351 105 HG13 ILE 15 HG11 ILE 15 -7.073 -4.320 -0.635 106 HG21 ILE 15 HG21 ILE 15 -5.775 -5.543 -3.788 107 HG22 ILE 15 HG22 ILE 15 -5.474 -3.823 -4.045 108 HG23 ILE 15 HG23 ILE 15 -6.826 -4.612 -4.856 109 HD11 ILE 15 HD11 ILE 15 -4.676 -5.373 -2.099 110 HD12 ILE 15 HD12 ILE 15 -5.973 -6.349 -1.409 111 HD13 ILE 15 HD13 ILE 15 -4.936 -5.387 -0.355 112 HA PRO 16 HA PRO 16 -10.796 -1.935 -0.244 113 HB2 PRO 16 HB2 PRO 16 -13.129 -2.969 -1.012 114 HB3 PRO 16 HB1 PRO 16 -12.421 -1.592 -1.865 115 HG2 PRO 16 HG2 PRO 16 -12.553 -4.452 -2.668 116 HG3 PRO 16 HG1 PRO 16 -12.611 -2.997 -3.676 117 HD2 PRO 16 HD2 PRO 16 -10.357 -4.631 -3.188 118 HD3 PRO 16 HD1 PRO 16 -10.366 -3.048 -3.982 119 H ASP 17 HN ASP 17 -9.150 -4.457 -0.194 120 HA ASP 17 HA ASP 17 -10.989 -6.355 1.051 121 HB2 ASP 17 HB2 ASP 17 -8.058 -6.718 0.421 122 HB3 ASP 17 HB1 ASP 17 -9.194 -7.973 0.898 123 H GLY 18 HN GLY 18 -8.443 -4.138 1.924 124 HA2 GLY 18 HA2 GLY 18 -8.288 -3.205 4.066 125 HA3 GLY 18 HA1 GLY 18 -9.230 -4.535 4.696 126 H ASN 19 HN ASN 19 -7.027 -6.152 3.040 127 HA ASN 19 HA ASN 19 -5.461 -6.895 5.262 128 HB2 ASN 19 HB2 ASN 19 -4.151 -8.162 3.595 129 HB3 ASN 19 HB1 ASN 19 -5.887 -8.391 3.379 130 HD21 ASN 19 HD21 ASN 19 -6.932 -7.220 1.702 131 HD22 ASN 19 HD22 ASN 19 -6.057 -6.673 0.320 132 H CYS 20 HN CYS 20 -4.928 -4.806 2.533 133 HA CYS 20 HA CYS 20 -3.336 -3.569 1.737 134 HB2 CYS 20 HB2 CYS 20 -2.376 -1.898 3.094 135 HB3 CYS 20 HB1 CYS 20 -4.016 -2.161 3.627 136 H ASN 21 HN ASN 21 -1.692 -4.907 4.598 137 HA ASN 21 HA ASN 21 0.863 -4.686 3.587 138 HB2 ASN 21 HB2 ASN 21 -0.261 -6.658 5.556 139 HB3 ASN 21 HB1 ASN 21 1.455 -6.532 5.212 140 HD21 ASN 21 HD21 ASN 21 1.403 -3.679 4.874 141 HD22 ASN 21 HD22 ASN 21 1.194 -3.017 6.455 142 H LYS 22 HN LYS 22 -0.966 -7.766 3.710 143 HA LYS 22 HA LYS 22 0.985 -9.185 2.348 144 HB2 LYS 22 HB2 LYS 22 -0.999 -10.758 1.729 145 HB3 LYS 22 HB1 LYS 22 -0.446 -10.614 3.387 146 HG2 LYS 22 HG2 LYS 22 -2.291 -9.190 3.935 147 HG3 LYS 22 HG1 LYS 22 -2.807 -9.128 2.245 148 HD2 LYS 22 HD2 LYS 22 -3.569 -11.310 2.275 149 HD3 LYS 22 HD1 LYS 22 -2.510 -11.774 3.604 150 HE2 LYS 22 HE2 LYS 22 -4.840 -9.896 3.933 151 HE3 LYS 22 HE1 LYS 22 -4.969 -11.639 4.148 152 HZ1 LYS 22 HZ1 LYS 22 -4.619 -10.453 6.241 153 HZ2 LYS 22 HZ2 LYS 22 -3.138 -9.870 5.674 154 HZ3 LYS 22 HZ3 LYS 22 -3.357 -11.530 5.913 155 H HIS 23 HN HIS 23 -1.499 -7.112 0.984 156 HA HIS 23 HA HIS 23 -1.312 -8.157 -1.640 157 HB2 HIS 23 HB2 HIS 23 -3.116 -6.611 -0.948 158 HB3 HIS 23 HB1 HIS 23 -1.937 -5.308 -0.839 159 HD1 HIS 23 HD1 HIS 23 -3.548 -7.588 -3.397 160 HD2 HIS 23 HD2 HIS 23 -1.391 -4.036 -3.216 161 HE1 HIS 23 HE1 HIS 23 -3.620 -6.625 -5.720 162 HE2 HIS 23 HE2 HIS 23 -2.261 -4.509 -5.603 163 H CYS 24 HN CYS 24 0.122 -5.085 -0.437 164 HA CYS 24 HA CYS 24 1.789 -4.632 -2.632 165 HB2 CYS 24 HB2 CYS 24 1.834 -3.806 0.208 166 HB3 CYS 24 HB1 CYS 24 3.363 -3.723 -0.641 167 H ARG 25 HN ARG 25 2.216 -6.723 0.128 168 HA ARG 25 HA ARG 25 5.059 -6.901 -0.260 169 HB2 ARG 25 HB2 ARG 25 3.276 -8.370 1.668 170 HB3 ARG 25 HB1 ARG 25 5.024 -8.261 1.734 171 HG2 ARG 25 HG2 ARG 25 3.215 -5.880 1.853 172 HG3 ARG 25 HG1 ARG 25 3.810 -6.723 3.286 173 HD2 ARG 25 HD2 ARG 25 5.857 -5.991 1.328 174 HD3 ARG 25 HD1 ARG 25 5.071 -4.611 2.096 175 HE ARG 25 HE ARG 25 5.817 -5.435 4.220 176 HH11 ARG 25 HH11 ARG 25 7.155 -7.171 1.492 177 HH12 ARG 25 HH12 ARG 25 8.482 -7.820 2.395 178 HH21 ARG 25 HH21 ARG 25 7.550 -6.315 5.414 179 HH22 ARG 25 HH22 ARG 25 8.705 -7.339 4.618 180 H ASN 26 HN ASN 26 2.283 -8.834 -1.149 181 HA ASN 26 HA ASN 26 3.962 -11.196 -1.488 182 HB2 ASN 26 HB2 ASN 26 1.040 -10.688 -1.729 183 HB3 ASN 26 HB1 ASN 26 1.719 -12.039 -2.626 184 HD21 ASN 26 HD21 ASN 26 0.978 -10.764 0.469 185 HD22 ASN 26 HD22 ASN 26 1.296 -12.200 1.384 186 H ASN 27 HN ASN 27 2.193 -8.958 -3.580 187 HA ASN 27 HA ASN 27 3.261 -10.294 -5.929 188 HB2 ASN 27 HB2 ASN 27 1.974 -8.307 -7.078 189 HB3 ASN 27 HB1 ASN 27 1.090 -9.667 -6.393 190 HD21 ASN 27 HD21 ASN 27 -0.040 -9.415 -4.509 191 HD22 ASN 27 HD22 ASN 27 -0.342 -7.872 -3.779 192 H GLU 28 HN GLU 28 3.664 -7.187 -4.272 193 HA GLU 28 HA GLU 28 5.643 -6.477 -6.324 194 HB2 GLU 28 HB2 GLU 28 3.510 -5.058 -5.606 195 HB3 GLU 28 HB1 GLU 28 4.624 -4.461 -4.386 196 HG2 GLU 28 HG2 GLU 28 4.601 -3.013 -6.324 197 HG3 GLU 28 HG1 GLU 28 6.180 -3.781 -6.146 198 H HIS 29 HN HIS 29 5.206 -7.087 -2.960 199 HA HIS 29 HA HIS 29 6.624 -7.550 -1.291 200 HB2 HIS 29 HB2 HIS 29 7.782 -8.841 -3.143 201 HB3 HIS 29 HB1 HIS 29 8.874 -7.471 -3.308 202 HD1 HIS 29 HD1 HIS 29 7.779 -9.953 -0.633 203 HD2 HIS 29 HD2 HIS 29 11.043 -7.598 -1.677 204 HE1 HIS 29 HE1 HIS 29 9.603 -10.563 0.986 205 HE2 HIS 29 HE2 HIS 29 11.519 -9.028 0.422 206 H LEU 30 HN LEU 30 5.917 -4.860 -1.680 207 HA LEU 30 HA LEU 30 8.225 -3.191 -1.640 208 HB2 LEU 30 HB2 LEU 30 5.501 -2.426 -0.627 209 HB3 LEU 30 HB1 LEU 30 6.792 -1.357 -1.118 210 HG LEU 30 HG LEU 30 4.999 -3.033 -2.849 211 HD11 LEU 30 HD11 LEU 30 4.234 -0.792 -2.218 212 HD12 LEU 30 HD12 LEU 30 4.591 -0.900 -3.947 213 HD13 LEU 30 HD13 LEU 30 5.733 -0.114 -2.861 214 HD21 LEU 30 HD21 LEU 30 7.581 -1.700 -3.653 215 HD22 LEU 30 HD22 LEU 30 6.380 -2.352 -4.766 216 HD23 LEU 30 HD23 LEU 30 7.242 -3.431 -3.669 217 H LEU 31 HN LEU 31 7.720 -1.396 0.475 218 HA LEU 31 HA LEU 31 9.215 -2.964 2.421 219 HB2 LEU 31 HB2 LEU 31 8.814 0.013 2.330 220 HB3 LEU 31 HB1 LEU 31 10.064 -0.864 3.195 221 HG LEU 31 HG LEU 31 9.756 -0.568 0.220 222 HD11 LEU 31 HD11 LEU 31 12.006 0.417 0.381 223 HD12 LEU 31 HD12 LEU 31 11.932 0.255 2.133 224 HD13 LEU 31 HD13 LEU 31 10.805 1.324 1.299 225 HD21 LEU 31 HD21 LEU 31 11.806 -1.946 0.048 226 HD22 LEU 31 HD22 LEU 31 10.391 -2.832 0.617 227 HD23 LEU 31 HD23 LEU 31 11.642 -2.337 1.762 228 H SER 32 HN SER 32 6.575 -0.516 2.634 229 HA SER 32 HA SER 32 5.941 -1.667 5.271 230 HB2 SER 32 HB2 SER 32 5.974 0.921 4.679 231 HB3 SER 32 HB1 SER 32 4.352 0.577 4.092 232 HG SER 32 HG SER 32 4.960 -0.442 6.596 233 H GLY 33 HN GLY 33 4.820 -1.402 2.042 234 HA2 GLY 33 HA2 GLY 33 3.411 -2.676 0.851 235 HA3 GLY 33 HA1 GLY 33 3.539 -3.858 2.122 236 H ARG 34 HN ARG 34 2.112 -0.770 2.984 237 HA ARG 34 HA ARG 34 -0.315 -2.276 3.455 238 HB2 ARG 34 HB2 ARG 34 0.002 0.685 3.962 239 HB3 ARG 34 HB1 ARG 34 -1.032 -0.481 4.772 240 HG2 ARG 34 HG2 ARG 34 0.808 -1.467 5.914 241 HG3 ARG 34 HG1 ARG 34 1.957 -0.472 5.012 242 HD2 ARG 34 HD2 ARG 34 0.553 1.528 5.965 243 HD3 ARG 34 HD1 ARG 34 0.029 0.331 7.159 244 HE ARG 34 HE ARG 34 2.857 0.325 6.913 245 HH11 ARG 34 HH11 ARG 34 0.207 2.158 8.269 246 HH12 ARG 34 HH12 ARG 34 1.167 2.865 9.524 247 HH21 ARG 34 HH21 ARG 34 4.130 1.248 8.560 248 HH22 ARG 34 HH22 ARG 34 3.405 2.336 9.697 249 H CYS 35 HN CYS 35 -0.846 -2.641 1.108 250 HA CYS 35 HA CYS 35 -1.832 -0.265 -0.300 251 HB2 CYS 35 HB2 CYS 35 -0.585 -2.589 -1.169 252 HB3 CYS 35 HB1 CYS 35 -2.253 -2.767 -1.694 253 H ARG 36 HN ARG 36 -3.928 0.379 0.011 254 HA ARG 36 HA ARG 36 -5.988 -1.607 -0.514 255 HB2 ARG 36 HB2 ARG 36 -6.503 0.294 1.731 256 HB3 ARG 36 HB1 ARG 36 -7.372 -1.170 1.313 257 HG2 ARG 36 HG2 ARG 36 -5.348 -2.445 1.958 258 HG3 ARG 36 HG1 ARG 36 -4.680 -0.929 2.558 259 HD2 ARG 36 HD2 ARG 36 -7.352 -1.850 3.483 260 HD3 ARG 36 HD1 ARG 36 -5.910 -2.572 4.175 261 HE ARG 36 HE ARG 36 -6.055 0.330 4.232 262 HH11 ARG 36 HH11 ARG 36 -6.547 -2.698 5.945 263 HH12 ARG 36 HH12 ARG 36 -6.546 -1.956 7.512 264 HH21 ARG 36 HH21 ARG 36 -6.027 1.299 6.333 265 HH22 ARG 36 HH22 ARG 36 -6.258 0.293 7.729 266 H ASP 37 HN ASP 37 -8.207 -0.405 -0.569 267 HA ASP 37 HA ASP 37 -7.886 2.138 -2.026 268 HB2 ASP 37 HB2 ASP 37 -8.342 0.601 -3.735 269 HB3 ASP 37 HB1 ASP 37 -9.448 -0.332 -2.737 270 H ASP 38 HN ASP 38 -10.642 0.156 -0.900 271 HA ASP 38 HA ASP 38 -12.214 2.335 -0.094 272 HB2 ASP 38 HB2 ASP 38 -13.137 0.077 -0.462 273 HB3 ASP 38 HB1 ASP 38 -12.269 -0.507 0.956 274 H PHE 39 HN PHE 39 -10.147 0.177 1.746 275 HA PHE 39 HA PHE 39 -10.167 1.968 4.044 276 HB2 PHE 39 HB2 PHE 39 -8.553 -0.555 3.757 277 HB3 PHE 39 HB1 PHE 39 -9.101 0.218 5.234 278 HD1 PHE 39 HD1 PHE 39 -9.796 -2.282 2.767 279 HD2 PHE 39 HD2 PHE 39 -11.591 0.223 5.722 280 HE1 PHE 39 HE1 PHE 39 -11.777 -3.739 2.813 281 HE2 PHE 39 HE2 PHE 39 -13.563 -1.245 5.770 282 HZ PHE 39 HZ PHE 39 -13.659 -3.226 4.315 283 H ARG 40 HN ARG 40 -7.873 2.468 4.958 284 HA ARG 40 HA ARG 40 -6.136 3.084 2.654 285 HB2 ARG 40 HB2 ARG 40 -6.554 4.910 5.021 286 HB3 ARG 40 HB1 ARG 40 -5.691 5.270 3.533 287 HG2 ARG 40 HG2 ARG 40 -7.828 5.089 2.301 288 HG3 ARG 40 HG1 ARG 40 -8.657 4.859 3.840 289 HD2 ARG 40 HD2 ARG 40 -7.127 7.283 2.917 290 HD3 ARG 40 HD1 ARG 40 -8.857 7.158 3.223 291 HE ARG 40 HE ARG 40 -7.013 6.694 5.448 292 HH11 ARG 40 HH11 ARG 40 -9.412 8.729 3.914 293 HH12 ARG 40 HH12 ARG 40 -9.630 9.734 5.307 294 HH21 ARG 40 HH21 ARG 40 -7.302 8.009 7.278 295 HH22 ARG 40 HH22 ARG 40 -8.435 9.322 7.223 296 H CYS 41 HN CYS 41 -4.186 2.286 2.863 297 HA CYS 41 HA CYS 41 -2.981 2.019 5.530 298 HB2 CYS 41 HB2 CYS 41 -3.989 -0.060 4.026 299 HB3 CYS 41 HB1 CYS 41 -2.281 -0.107 3.638 300 H TRP 42 HN TRP 42 -0.647 2.436 5.552 301 HA TRP 42 HA TRP 42 0.381 3.967 3.309 302 HB2 TRP 42 HB2 TRP 42 1.615 3.221 5.964 303 HB3 TRP 42 HB1 TRP 42 2.431 4.207 4.762 304 HD1 TRP 42 HD1 TRP 42 -0.222 4.371 7.471 305 HE1 TRP 42 HE1 TRP 42 -0.886 6.832 7.842 306 HE3 TRP 42 HE3 TRP 42 2.206 6.484 3.504 307 HZ2 TRP 42 HZ2 TRP 42 -0.444 9.337 6.595 308 HZ3 TRP 42 HZ3 TRP 42 2.043 8.898 3.166 309 HH2 TRP 42 HH2 TRP 42 0.740 10.302 4.670 310 H CYS 43 HN CYS 43 1.134 2.732 1.489 311 HA CYS 43 HA CYS 43 2.973 0.537 2.163 312 HB2 CYS 43 HB2 CYS 43 1.187 0.119 0.438 313 HB3 CYS 43 HB1 CYS 43 2.031 1.250 -0.619 314 H THR 44 HN THR 44 5.014 0.982 2.367 315 HA THR 44 HA THR 44 6.174 3.357 1.147 316 HB THR 44 HB THR 44 7.592 1.492 3.050 317 HG1 THR 44 HG1 THR 44 6.678 3.527 4.417 318 HG21 THR 44 HG21 THR 44 9.075 3.039 2.136 319 HG22 THR 44 HG22 THR 44 8.632 3.713 3.707 320 HG23 THR 44 HG23 THR 44 7.905 4.353 2.231 321 H ASN 45 HN ASN 45 7.914 3.319 -0.253 322 HA ASN 45 HA ASN 45 8.973 0.733 -1.121 323 HB2 ASN 45 HB2 ASN 45 6.937 1.377 -2.521 324 HB3 ASN 45 HB1 ASN 45 7.881 2.738 -3.108 325 HD21 ASN 45 HD21 ASN 45 8.917 -0.567 -2.415 326 HD22 ASN 45 HD22 ASN 45 9.410 -0.935 -4.033 327 H ARG 46 HN ARG 46 10.653 1.328 -3.010 328 HA ARG 46 HA ARG 46 12.298 3.527 -1.993 329 HB2 ARG 46 HB2 ARG 46 12.979 1.395 -4.026 330 HB3 ARG 46 HB1 ARG 46 14.096 2.552 -3.320 331 HG2 ARG 46 HG2 ARG 46 14.455 1.248 -1.570 332 HG3 ARG 46 HG1 ARG 46 12.725 1.054 -1.281 333 HD2 ARG 46 HD2 ARG 46 12.617 -0.690 -2.964 334 HD3 ARG 46 HD1 ARG 46 14.334 -0.479 -3.313 335 HE ARG 46 HE ARG 46 14.137 -1.022 -0.606 336 HH11 ARG 46 HH11 ARG 46 13.468 -2.619 -3.640 337 HH12 ARG 46 HH12 ARG 46 13.627 -4.214 -2.984 338 HH21 ARG 46 HH21 ARG 46 14.397 -3.121 0.257 339 HH22 ARG 46 HH22 ARG 46 14.177 -4.500 -0.773 340 H CYS 47 HN CYS 47 12.425 5.390 -3.069 341 HA CYS 47 HA CYS 47 11.575 5.427 -5.881 342 HB2 CYS 47 HB2 CYS 47 10.929 7.395 -3.690 343 HB3 CYS 47 HB1 CYS 47 10.690 7.747 -5.399 Start of MODEL 15 1 H1 LYS 1 HT1 LYS 1 12.492 7.173 7.224 2 H2 LYS 1 HT2 LYS 1 12.172 8.106 5.850 3 H3 LYS 1 HT3 LYS 1 13.633 7.267 5.978 4 HA LYS 1 HA LYS 1 12.500 5.170 5.893 5 HB2 LYS 1 HB2 LYS 1 10.104 5.065 5.445 6 HB3 LYS 1 HB1 LYS 1 10.403 5.909 6.957 7 HG2 LYS 1 HG2 LYS 1 9.953 8.017 5.961 8 HG3 LYS 1 HG1 LYS 1 9.929 7.313 4.346 9 HD2 LYS 1 HD2 LYS 1 7.663 7.742 5.115 10 HD3 LYS 1 HD1 LYS 1 7.940 6.010 4.953 11 HE2 LYS 1 HE2 LYS 1 6.728 6.426 6.988 12 HE3 LYS 1 HE1 LYS 1 8.358 5.891 7.387 13 HZ1 LYS 1 HZ1 LYS 1 7.733 7.726 8.780 14 HZ2 LYS 1 HZ2 LYS 1 7.359 8.684 7.439 15 HZ3 LYS 1 HZ3 LYS 1 8.961 8.233 7.733 16 H THR 2 HN THR 2 10.939 4.590 3.782 17 HA THR 2 HA THR 2 12.305 5.894 1.543 18 HB THR 2 HB THR 2 11.213 3.815 0.369 19 HG1 THR 2 HG1 THR 2 11.791 2.483 2.722 20 HG21 THR 2 HG21 THR 2 13.287 2.564 0.841 21 HG22 THR 2 HG22 THR 2 13.652 3.710 2.133 22 HG23 THR 2 HG23 THR 2 13.591 4.258 0.457 23 H CYS 3 HN CYS 3 10.803 5.762 -0.536 24 HA CYS 3 HA CYS 3 8.832 7.698 -0.220 25 HB2 CYS 3 HB2 CYS 3 8.876 5.613 -2.408 26 HB3 CYS 3 HB1 CYS 3 8.198 7.236 -2.493 27 H GLU 4 HN GLU 4 6.996 7.558 0.864 28 HA GLU 4 HA GLU 4 5.512 5.023 0.840 29 HB2 GLU 4 HB2 GLU 4 6.666 5.214 2.986 30 HB3 GLU 4 HB1 GLU 4 6.029 6.838 3.204 31 HG2 GLU 4 HG2 GLU 4 3.713 5.788 3.137 32 HG3 GLU 4 HG1 GLU 4 4.530 4.225 3.303 33 H ASN 5 HN ASN 5 3.326 5.215 0.661 34 HA ASN 5 HA ASN 5 2.136 7.800 1.251 35 HB2 ASN 5 HB2 ASN 5 0.982 8.062 -0.781 36 HB3 ASN 5 HB1 ASN 5 2.625 7.671 -1.245 37 HD21 ASN 5 HD21 ASN 5 -0.649 6.587 -1.096 38 HD22 ASN 5 HD22 ASN 5 -0.469 5.229 -2.160 39 H LEU 6 HN LEU 6 -0.069 7.692 1.628 40 HA LEU 6 HA LEU 6 -0.951 5.088 2.551 41 HB2 LEU 6 HB2 LEU 6 -1.218 7.548 3.650 42 HB3 LEU 6 HB1 LEU 6 -2.745 7.420 2.797 43 HG LEU 6 HG LEU 6 -1.708 5.585 4.978 44 HD11 LEU 6 HD11 LEU 6 -4.145 7.367 4.779 45 HD12 LEU 6 HD12 LEU 6 -2.697 7.696 5.728 46 HD13 LEU 6 HD13 LEU 6 -3.727 6.326 6.139 47 HD21 LEU 6 HD21 LEU 6 -2.740 4.187 3.370 48 HD22 LEU 6 HD22 LEU 6 -4.105 5.302 3.187 49 HD23 LEU 6 HD23 LEU 6 -3.870 4.426 4.703 50 H SER 7 HN SER 7 -2.125 3.848 1.314 51 HA SER 7 HA SER 7 -3.195 4.862 -1.165 52 HB2 SER 7 HB2 SER 7 -3.708 2.390 -1.512 53 HB3 SER 7 HB1 SER 7 -2.008 2.818 -1.367 54 HG SER 7 HG SER 7 -2.115 2.156 0.833 55 H GLY 8 HN GLY 8 -5.244 5.360 -1.496 56 HA2 GLY 8 HA2 GLY 8 -7.520 4.110 -0.765 57 HA3 GLY 8 HA1 GLY 8 -7.150 5.077 0.655 58 H THR 9 HN THR 9 -8.338 6.850 0.673 59 HA THR 9 HA THR 9 -9.305 8.016 -1.753 60 HB THR 9 HB THR 9 -10.739 8.042 0.199 61 HG1 THR 9 HG1 THR 9 -10.764 9.831 -1.358 62 HG21 THR 9 HG21 THR 9 -9.042 8.176 1.952 63 HG22 THR 9 HG22 THR 9 -10.253 9.444 2.147 64 HG23 THR 9 HG23 THR 9 -8.668 9.832 1.474 65 H PHE 10 HN PHE 10 -6.800 8.823 0.626 66 HA PHE 10 HA PHE 10 -6.112 11.226 -0.866 67 HB2 PHE 10 HB2 PHE 10 -6.224 11.004 1.733 68 HB3 PHE 10 HB1 PHE 10 -4.665 10.207 1.567 69 HD1 PHE 10 HD1 PHE 10 -6.330 13.266 0.228 70 HD2 PHE 10 HD2 PHE 10 -2.854 11.536 1.956 71 HE1 PHE 10 HE1 PHE 10 -5.233 15.466 0.207 72 HE2 PHE 10 HE2 PHE 10 -1.748 13.736 1.940 73 HZ PHE 10 HZ PHE 10 -2.938 15.703 1.064 74 H LYS 11 HN LYS 11 -4.148 11.418 -1.971 75 HA LYS 11 HA LYS 11 -2.188 10.834 -2.966 76 HB2 LYS 11 HB2 LYS 11 -2.096 8.724 -0.808 77 HB3 LYS 11 HB1 LYS 11 -0.756 9.149 -1.863 78 HG2 LYS 11 HG2 LYS 11 -0.278 11.032 -0.724 79 HG3 LYS 11 HG1 LYS 11 -1.973 11.371 -0.361 80 HD2 LYS 11 HD2 LYS 11 -2.000 9.902 1.450 81 HD3 LYS 11 HD1 LYS 11 -0.544 9.081 0.928 82 HE2 LYS 11 HE2 LYS 11 -0.781 11.857 2.077 83 HE3 LYS 11 HE1 LYS 11 -0.008 10.463 2.823 84 HZ1 LYS 11 HZ1 LYS 11 1.664 10.511 1.057 85 HZ2 LYS 11 HZ2 LYS 11 1.627 11.968 1.908 86 HZ3 LYS 11 HZ3 LYS 11 0.925 11.870 0.376 87 H GLY 12 HN GLY 12 -4.821 9.393 -3.509 88 HA2 GLY 12 HA2 GLY 12 -5.347 8.119 -5.392 89 HA3 GLY 12 HA1 GLY 12 -3.691 7.557 -5.464 90 HA PRO 13 HA PRO 13 -6.509 4.459 -3.290 91 HB2 PRO 13 HB2 PRO 13 -7.638 3.253 -5.556 92 HB3 PRO 13 HB1 PRO 13 -8.418 4.432 -4.506 93 HG2 PRO 13 HG2 PRO 13 -7.720 4.814 -7.199 94 HG3 PRO 13 HG1 PRO 13 -8.183 6.082 -6.052 95 HD2 PRO 13 HD2 PRO 13 -5.460 5.202 -6.910 96 HD3 PRO 13 HD1 PRO 13 -6.047 6.836 -6.534 97 H CYS 14 HN CYS 14 -6.815 1.977 -3.824 98 HA CYS 14 HA CYS 14 -4.738 0.818 -5.432 99 HB2 CYS 14 HB2 CYS 14 -3.470 1.280 -3.406 100 HB3 CYS 14 HB1 CYS 14 -4.681 0.458 -2.428 101 H ILE 15 HN ILE 15 -6.323 -0.627 -2.577 102 HA ILE 15 HA ILE 15 -8.024 -2.205 -4.347 103 HB ILE 15 HB ILE 15 -7.296 -4.314 -3.259 104 HG12 ILE 15 HG12 ILE 15 -5.344 -2.417 -2.004 105 HG13 ILE 15 HG11 ILE 15 -6.197 -3.785 -1.301 106 HG21 ILE 15 HG21 ILE 15 -6.568 -3.780 -5.502 107 HG22 ILE 15 HG22 ILE 15 -5.267 -4.589 -4.625 108 HG23 ILE 15 HG23 ILE 15 -5.216 -2.841 -4.868 109 HD11 ILE 15 HD11 ILE 15 -3.884 -3.979 -3.208 110 HD12 ILE 15 HD12 ILE 15 -4.726 -5.327 -2.446 111 HD13 ILE 15 HD13 ILE 15 -3.809 -4.191 -1.460 112 HA PRO 16 HA PRO 16 -10.571 -1.609 -0.735 113 HB2 PRO 16 HB2 PRO 16 -12.829 -2.705 -2.030 114 HB3 PRO 16 HB1 PRO 16 -12.364 -1.005 -1.980 115 HG2 PRO 16 HG2 PRO 16 -12.412 -2.631 -4.258 116 HG3 PRO 16 HG1 PRO 16 -11.617 -1.055 -4.118 117 HD2 PRO 16 HD2 PRO 16 -10.454 -3.797 -3.926 118 HD3 PRO 16 HD1 PRO 16 -9.752 -2.318 -4.606 119 H ASP 17 HN ASP 17 -9.008 -4.104 -1.005 120 HA ASP 17 HA ASP 17 -10.948 -6.151 -0.209 121 HB2 ASP 17 HB2 ASP 17 -8.066 -6.468 -1.056 122 HB3 ASP 17 HB1 ASP 17 -9.201 -7.775 -0.741 123 H GLY 18 HN GLY 18 -8.365 -4.230 1.050 124 HA2 GLY 18 HA2 GLY 18 -7.890 -3.891 3.302 125 HA3 GLY 18 HA1 GLY 18 -8.962 -5.223 3.702 126 H ASN 19 HN ASN 19 -6.624 -5.871 1.362 127 HA ASN 19 HA ASN 19 -5.031 -7.409 3.263 128 HB2 ASN 19 HB2 ASN 19 -4.330 -8.556 1.046 129 HB3 ASN 19 HB1 ASN 19 -5.935 -8.862 1.688 130 HD21 ASN 19 HD21 ASN 19 -5.159 -5.823 0.172 131 HD22 ASN 19 HD22 ASN 19 -6.134 -6.053 -1.234 132 H CYS 20 HN CYS 20 -4.333 -4.837 3.346 133 HA CYS 20 HA CYS 20 -2.863 -3.848 1.214 134 HB2 CYS 20 HB2 CYS 20 -2.026 -2.154 2.803 135 HB3 CYS 20 HB1 CYS 20 -3.770 -2.297 2.805 136 H ASN 21 HN ASN 21 -1.892 -5.518 4.136 137 HA ASN 21 HA ASN 21 0.865 -5.146 3.707 138 HB2 ASN 21 HB2 ASN 21 -0.715 -6.970 5.484 139 HB3 ASN 21 HB1 ASN 21 1.032 -7.077 5.390 140 HD21 ASN 21 HD21 ASN 21 1.344 -4.209 4.916 141 HD22 ASN 21 HD22 ASN 21 1.051 -3.445 6.441 142 H LYS 22 HN LYS 22 -1.100 -8.098 3.355 143 HA LYS 22 HA LYS 22 1.057 -9.519 2.267 144 HB2 LYS 22 HB2 LYS 22 -0.825 -11.086 1.408 145 HB3 LYS 22 HB1 LYS 22 -0.545 -10.928 3.132 146 HG2 LYS 22 HG2 LYS 22 -2.441 -9.477 3.363 147 HG3 LYS 22 HG1 LYS 22 -2.702 -9.446 1.613 148 HD2 LYS 22 HD2 LYS 22 -3.126 -11.841 1.629 149 HD3 LYS 22 HD1 LYS 22 -2.809 -11.910 3.362 150 HE2 LYS 22 HE2 LYS 22 -4.723 -10.407 3.737 151 HE3 LYS 22 HE1 LYS 22 -5.038 -10.414 2.004 152 HZ1 LYS 22 HZ1 LYS 22 -6.467 -11.970 3.136 153 HZ2 LYS 22 HZ2 LYS 22 -5.135 -12.772 3.792 154 HZ3 LYS 22 HZ3 LYS 22 -5.396 -12.804 2.123 155 H HIS 23 HN HIS 23 -1.366 -7.487 0.695 156 HA HIS 23 HA HIS 23 -0.891 -8.482 -1.904 157 HB2 HIS 23 HB2 HIS 23 -2.791 -6.933 -1.182 158 HB3 HIS 23 HB1 HIS 23 -1.631 -5.618 -1.350 159 HD1 HIS 23 HD1 HIS 23 -0.993 -4.894 -3.726 160 HD2 HIS 23 HD2 HIS 23 -3.567 -8.157 -3.616 161 HE1 HIS 23 HE1 HIS 23 -1.787 -5.207 -6.083 162 HE2 HIS 23 HE2 HIS 23 -3.486 -7.060 -5.959 163 H CYS 24 HN CYS 24 0.473 -5.593 -0.279 164 HA CYS 24 HA CYS 24 2.264 -4.977 -2.383 165 HB2 CYS 24 HB2 CYS 24 1.963 -4.179 0.460 166 HB3 CYS 24 HB1 CYS 24 3.546 -3.960 -0.261 167 H ARG 25 HN ARG 25 2.538 -7.003 0.499 168 HA ARG 25 HA ARG 25 5.424 -7.074 0.263 169 HB2 ARG 25 HB2 ARG 25 3.587 -8.365 2.273 170 HB3 ARG 25 HB1 ARG 25 5.337 -8.284 2.389 171 HG2 ARG 25 HG2 ARG 25 3.482 -5.931 2.324 172 HG3 ARG 25 HG1 ARG 25 4.258 -6.591 3.768 173 HD2 ARG 25 HD2 ARG 25 6.221 -6.135 1.744 174 HD3 ARG 25 HD1 ARG 25 5.282 -4.653 1.972 175 HE ARG 25 HE ARG 25 5.999 -4.576 4.221 176 HH11 ARG 25 HH11 ARG 25 7.405 -7.308 2.526 177 HH12 ARG 25 HH12 ARG 25 8.679 -7.516 3.677 178 HH21 ARG 25 HH21 ARG 25 7.669 -4.864 5.727 179 HH22 ARG 25 HH22 ARG 25 8.826 -6.135 5.499 180 H ASN 26 HN ASN 26 2.745 -9.278 -0.237 181 HA ASN 26 HA ASN 26 4.557 -11.535 -0.520 182 HB2 ASN 26 HB2 ASN 26 1.554 -11.312 -0.771 183 HB3 ASN 26 HB1 ASN 26 2.437 -12.795 -1.082 184 HD21 ASN 26 HD21 ASN 26 3.502 -10.645 1.395 185 HD22 ASN 26 HD22 ASN 26 3.006 -11.604 2.744 186 H ASN 27 HN ASN 27 2.591 -9.436 -2.546 187 HA ASN 27 HA ASN 27 3.170 -11.014 -4.898 188 HB2 ASN 27 HB2 ASN 27 1.720 -8.372 -4.674 189 HB3 ASN 27 HB1 ASN 27 1.793 -9.391 -6.106 190 HD21 ASN 27 HD21 ASN 27 0.449 -8.969 -2.958 191 HD22 ASN 27 HD22 ASN 27 -0.757 -10.207 -3.069 192 H GLU 28 HN GLU 28 3.936 -7.710 -3.762 193 HA GLU 28 HA GLU 28 5.924 -7.593 -5.924 194 HB2 GLU 28 HB2 GLU 28 4.061 -5.857 -5.764 195 HB3 GLU 28 HB1 GLU 28 4.903 -5.228 -4.355 196 HG2 GLU 28 HG2 GLU 28 6.859 -4.752 -5.696 197 HG3 GLU 28 HG1 GLU 28 6.099 -5.485 -7.109 198 H HIS 29 HN HIS 29 5.548 -7.584 -2.490 199 HA HIS 29 HA HIS 29 7.030 -7.864 -0.824 200 HB2 HIS 29 HB2 HIS 29 8.178 -9.389 -2.490 201 HB3 HIS 29 HB1 HIS 29 9.213 -8.031 -2.913 202 HD1 HIS 29 HD1 HIS 29 8.436 -10.346 -0.038 203 HD2 HIS 29 HD2 HIS 29 11.315 -7.577 -1.186 204 HE1 HIS 29 HE1 HIS 29 10.293 -10.557 1.644 205 HE2 HIS 29 HE2 HIS 29 12.049 -8.908 0.901 206 H LEU 30 HN LEU 30 6.209 -5.408 -1.117 207 HA LEU 30 HA LEU 30 8.381 -3.574 -1.529 208 HB2 LEU 30 HB2 LEU 30 5.653 -3.011 -0.375 209 HB3 LEU 30 HB1 LEU 30 6.835 -1.817 -0.881 210 HG LEU 30 HG LEU 30 5.132 -3.612 -2.575 211 HD11 LEU 30 HD11 LEU 30 5.786 -0.673 -2.721 212 HD12 LEU 30 HD12 LEU 30 4.322 -1.356 -2.006 213 HD13 LEU 30 HD13 LEU 30 4.634 -1.541 -3.736 214 HD21 LEU 30 HD21 LEU 30 6.476 -2.973 -4.526 215 HD22 LEU 30 HD22 LEU 30 7.385 -3.970 -3.391 216 HD23 LEU 30 HD23 LEU 30 7.663 -2.230 -3.452 217 H LEU 31 HN LEU 31 8.007 -1.686 0.481 218 HA LEU 31 HA LEU 31 9.678 -3.038 2.437 219 HB2 LEU 31 HB2 LEU 31 9.121 -0.094 2.187 220 HB3 LEU 31 HB1 LEU 31 10.474 -0.859 3.003 221 HG LEU 31 HG LEU 31 9.943 -0.766 0.044 222 HD11 LEU 31 HD11 LEU 31 12.080 0.393 -0.053 223 HD12 LEU 31 HD12 LEU 31 12.231 0.278 1.699 224 HD13 LEU 31 HD13 LEU 31 10.941 1.247 0.988 225 HD21 LEU 31 HD21 LEU 31 12.023 -2.325 1.554 226 HD22 LEU 31 HD22 LEU 31 12.068 -2.022 -0.184 227 HD23 LEU 31 HD23 LEU 31 10.742 -2.955 0.515 228 H SER 32 HN SER 32 6.882 -0.792 2.562 229 HA SER 32 HA SER 32 6.428 -1.755 5.318 230 HB2 SER 32 HB2 SER 32 5.630 0.693 3.815 231 HB3 SER 32 HB1 SER 32 4.641 0.151 5.158 232 HG SER 32 HG SER 32 6.623 1.667 5.428 233 H GLY 33 HN GLY 33 4.960 -1.493 2.220 234 HA2 GLY 33 HA2 GLY 33 3.487 -2.842 1.157 235 HA3 GLY 33 HA1 GLY 33 3.744 -4.021 2.419 236 H ARG 34 HN ARG 34 2.296 -0.787 2.823 237 HA ARG 34 HA ARG 34 -0.151 -2.188 3.585 238 HB2 ARG 34 HB2 ARG 34 1.330 0.127 4.434 239 HB3 ARG 34 HB1 ARG 34 -0.336 0.586 4.141 240 HG2 ARG 34 HG2 ARG 34 -1.029 -1.213 5.707 241 HG3 ARG 34 HG1 ARG 34 0.679 -1.565 5.998 242 HD2 ARG 34 HD2 ARG 34 1.046 0.610 6.924 243 HD3 ARG 34 HD1 ARG 34 -0.566 1.161 6.441 244 HE ARG 34 HE ARG 34 -1.087 -0.940 8.071 245 HH11 ARG 34 HH11 ARG 34 0.967 1.869 8.451 246 HH12 ARG 34 HH12 ARG 34 0.696 1.994 10.157 247 HH21 ARG 34 HH21 ARG 34 -1.436 -0.782 10.320 248 HH22 ARG 34 HH22 ARG 34 -0.665 0.486 11.221 249 H CYS 35 HN CYS 35 -0.637 -2.565 1.135 250 HA CYS 35 HA CYS 35 -1.724 -0.146 -0.103 251 HB2 CYS 35 HB2 CYS 35 -0.239 -2.036 -1.263 252 HB3 CYS 35 HB1 CYS 35 -1.838 -2.691 -1.598 253 H ARG 36 HN ARG 36 -3.812 0.409 0.252 254 HA ARG 36 HA ARG 36 -5.851 -1.580 -0.394 255 HB2 ARG 36 HB2 ARG 36 -5.699 -0.201 2.251 256 HB3 ARG 36 HB1 ARG 36 -7.255 -0.626 1.567 257 HG2 ARG 36 HG2 ARG 36 -6.994 -2.816 1.953 258 HG3 ARG 36 HG1 ARG 36 -5.258 -2.778 1.669 259 HD2 ARG 36 HD2 ARG 36 -5.157 -3.073 3.893 260 HD3 ARG 36 HD1 ARG 36 -5.378 -1.333 3.932 261 HE ARG 36 HE ARG 36 -7.901 -2.471 4.030 262 HH11 ARG 36 HH11 ARG 36 -4.983 -2.410 5.962 263 HH12 ARG 36 HH12 ARG 36 -5.808 -2.701 7.459 264 HH21 ARG 36 HH21 ARG 36 -9.000 -2.892 6.035 265 HH22 ARG 36 HH22 ARG 36 -8.074 -2.974 7.498 266 H ASP 37 HN ASP 37 -8.125 -0.321 -0.183 267 HA ASP 37 HA ASP 37 -7.801 2.353 -1.372 268 HB2 ASP 37 HB2 ASP 37 -8.237 1.021 -3.264 269 HB3 ASP 37 HB1 ASP 37 -9.427 0.042 -2.412 270 H ASP 38 HN ASP 38 -10.627 0.314 -0.672 271 HA ASP 38 HA ASP 38 -12.208 2.330 0.438 272 HB2 ASP 38 HB2 ASP 38 -13.098 0.166 -0.338 273 HB3 ASP 38 HB1 ASP 38 -12.278 -0.651 0.989 274 H PHE 39 HN PHE 39 -9.985 0.075 1.864 275 HA PHE 39 HA PHE 39 -10.078 1.484 4.431 276 HB2 PHE 39 HB2 PHE 39 -8.391 -0.930 3.863 277 HB3 PHE 39 HB1 PHE 39 -9.072 -0.395 5.394 278 HD1 PHE 39 HD1 PHE 39 -9.405 -2.617 2.663 279 HD2 PHE 39 HD2 PHE 39 -11.640 -0.512 5.617 280 HE1 PHE 39 HE1 PHE 39 -11.285 -4.182 2.365 281 HE2 PHE 39 HE2 PHE 39 -13.512 -2.078 5.327 282 HZ PHE 39 HZ PHE 39 -13.336 -3.916 3.699 283 H ARG 40 HN ARG 40 -7.690 1.804 5.348 284 HA ARG 40 HA ARG 40 -6.165 2.857 3.071 285 HB2 ARG 40 HB2 ARG 40 -6.777 4.295 5.657 286 HB3 ARG 40 HB1 ARG 40 -5.662 4.877 4.433 287 HG2 ARG 40 HG2 ARG 40 -7.500 4.984 2.818 288 HG3 ARG 40 HG1 ARG 40 -8.615 4.444 4.076 289 HD2 ARG 40 HD2 ARG 40 -6.976 6.976 4.093 290 HD3 ARG 40 HD1 ARG 40 -8.716 6.857 3.837 291 HE ARG 40 HE ARG 40 -7.940 5.681 6.309 292 HH11 ARG 40 HH11 ARG 40 -8.506 8.780 4.777 293 HH12 ARG 40 HH12 ARG 40 -8.944 9.568 6.255 294 HH21 ARG 40 HH21 ARG 40 -8.491 6.712 8.249 295 HH22 ARG 40 HH22 ARG 40 -8.935 8.392 8.233 296 H CYS 41 HN CYS 41 -4.222 2.161 3.006 297 HA CYS 41 HA CYS 41 -2.734 1.652 5.480 298 HB2 CYS 41 HB2 CYS 41 -3.390 -0.175 3.245 299 HB3 CYS 41 HB1 CYS 41 -1.762 -0.296 3.875 300 H TRP 42 HN TRP 42 -0.494 2.315 5.400 301 HA TRP 42 HA TRP 42 0.388 3.887 3.106 302 HB2 TRP 42 HB2 TRP 42 1.806 3.250 5.697 303 HB3 TRP 42 HB1 TRP 42 2.373 4.384 4.489 304 HD1 TRP 42 HD1 TRP 42 -0.248 4.007 7.253 305 HE1 TRP 42 HE1 TRP 42 -1.084 6.354 7.908 306 HE3 TRP 42 HE3 TRP 42 2.057 6.744 3.601 307 HZ2 TRP 42 HZ2 TRP 42 -0.801 9.009 6.991 308 HZ3 TRP 42 HZ3 TRP 42 1.724 9.166 3.559 309 HH2 TRP 42 HH2 TRP 42 0.326 10.283 5.217 310 H CYS 43 HN CYS 43 1.202 2.593 1.343 311 HA CYS 43 HA CYS 43 3.066 0.466 2.133 312 HB2 CYS 43 HB2 CYS 43 1.268 -0.034 0.405 313 HB3 CYS 43 HB1 CYS 43 2.189 0.972 -0.717 314 H THR 44 HN THR 44 5.166 0.602 1.909 315 HA THR 44 HA THR 44 6.257 3.098 0.818 316 HB THR 44 HB THR 44 7.595 1.380 2.906 317 HG1 THR 44 HG1 THR 44 6.512 3.560 3.991 318 HG21 THR 44 HG21 THR 44 8.537 3.677 3.487 319 HG22 THR 44 HG22 THR 44 7.936 4.176 1.902 320 HG23 THR 44 HG23 THR 44 9.127 2.881 2.031 321 H ASN 45 HN ASN 45 7.939 3.050 -0.550 322 HA ASN 45 HA ASN 45 9.576 0.727 -0.996 323 HB2 ASN 45 HB2 ASN 45 7.469 0.299 -2.352 324 HB3 ASN 45 HB1 ASN 45 7.884 1.721 -3.301 325 HD21 ASN 45 HD21 ASN 45 8.951 -1.488 -2.374 326 HD22 ASN 45 HD22 ASN 45 9.931 -1.766 -3.767 327 H ARG 46 HN ARG 46 10.820 1.479 -3.352 328 HA ARG 46 HA ARG 46 11.833 4.134 -2.602 329 HB2 ARG 46 HB2 ARG 46 13.172 2.135 -4.425 330 HB3 ARG 46 HB1 ARG 46 13.877 3.585 -3.738 331 HG2 ARG 46 HG2 ARG 46 14.774 2.123 -2.288 332 HG3 ARG 46 HG1 ARG 46 13.213 2.297 -1.482 333 HD2 ARG 46 HD2 ARG 46 12.375 0.337 -2.604 334 HD3 ARG 46 HD1 ARG 46 13.867 0.183 -3.524 335 HE ARG 46 HE ARG 46 14.241 0.128 -0.669 336 HH11 ARG 46 HH11 ARG 46 13.558 -1.771 -3.530 337 HH12 ARG 46 HH12 ARG 46 14.158 -3.248 -2.847 338 HH21 ARG 46 HH21 ARG 46 15.035 -1.820 0.236 339 HH22 ARG 46 HH22 ARG 46 15.004 -3.279 -0.708 340 H CYS 47 HN CYS 47 11.710 5.809 -3.994 341 HA CYS 47 HA CYS 47 10.624 5.225 -6.658 342 HB2 CYS 47 HB2 CYS 47 9.471 7.402 -6.577 343 HB3 CYS 47 HB1 CYS 47 8.933 6.325 -5.298 Start of MODEL 16 1 H1 LYS 1 HT1 LYS 1 13.653 6.388 6.365 2 H2 LYS 1 HT2 LYS 1 12.460 6.102 7.528 3 H3 LYS 1 HT3 LYS 1 12.178 7.206 6.278 4 HA LYS 1 HA LYS 1 12.595 4.303 5.925 5 HB2 LYS 1 HB2 LYS 1 10.203 4.242 5.337 6 HB3 LYS 1 HB1 LYS 1 10.447 4.773 6.995 7 HG2 LYS 1 HG2 LYS 1 10.135 7.094 6.292 8 HG3 LYS 1 HG1 LYS 1 9.875 6.553 4.636 9 HD2 LYS 1 HD2 LYS 1 7.741 6.979 5.684 10 HD3 LYS 1 HD1 LYS 1 7.920 5.246 5.409 11 HE2 LYS 1 HE2 LYS 1 8.525 4.919 7.741 12 HE3 LYS 1 HE1 LYS 1 8.435 6.654 8.026 13 HZ1 LYS 1 HZ1 LYS 1 6.095 6.611 7.599 14 HZ2 LYS 1 HZ2 LYS 1 6.442 5.434 8.760 15 HZ3 LYS 1 HZ3 LYS 1 6.141 4.980 7.154 16 H THR 2 HN THR 2 11.155 4.014 3.642 17 HA THR 2 HA THR 2 12.523 5.766 1.732 18 HB THR 2 HB THR 2 12.018 4.133 0.019 19 HG1 THR 2 HG1 THR 2 10.152 3.188 0.580 20 HG21 THR 2 HG21 THR 2 13.355 2.241 0.868 21 HG22 THR 2 HG22 THR 2 13.201 2.891 2.499 22 HG23 THR 2 HG23 THR 2 14.068 3.803 1.263 23 H CYS 3 HN CYS 3 10.982 5.841 -0.390 24 HA CYS 3 HA CYS 3 9.096 7.794 0.225 25 HB2 CYS 3 HB2 CYS 3 9.029 6.014 -2.218 26 HB3 CYS 3 HB1 CYS 3 8.399 7.652 -2.074 27 H GLU 4 HN GLU 4 7.275 7.567 1.322 28 HA GLU 4 HA GLU 4 5.859 4.996 1.151 29 HB2 GLU 4 HB2 GLU 4 6.846 5.303 3.353 30 HB3 GLU 4 HB1 GLU 4 6.095 6.887 3.494 31 HG2 GLU 4 HG2 GLU 4 3.871 5.781 3.373 32 HG3 GLU 4 HG1 GLU 4 4.694 4.218 3.419 33 H ASN 5 HN ASN 5 3.899 5.084 0.340 34 HA ASN 5 HA ASN 5 2.460 7.650 0.531 35 HB2 ASN 5 HB2 ASN 5 3.151 6.729 -1.809 36 HB3 ASN 5 HB1 ASN 5 1.834 5.609 -1.528 37 HD21 ASN 5 HD21 ASN 5 -0.264 6.467 -1.148 38 HD22 ASN 5 HD22 ASN 5 -0.715 7.939 -1.931 39 H LEU 6 HN LEU 6 0.333 7.535 0.880 40 HA LEU 6 HA LEU 6 -0.583 5.092 2.181 41 HB2 LEU 6 HB2 LEU 6 -0.797 7.644 3.062 42 HB3 LEU 6 HB1 LEU 6 -2.338 7.454 2.245 43 HG LEU 6 HG LEU 6 -1.275 5.753 4.528 44 HD11 LEU 6 HD11 LEU 6 -3.655 7.608 4.292 45 HD12 LEU 6 HD12 LEU 6 -2.170 7.935 5.184 46 HD13 LEU 6 HD13 LEU 6 -3.240 6.631 5.698 47 HD21 LEU 6 HD21 LEU 6 -3.649 5.404 2.735 48 HD22 LEU 6 HD22 LEU 6 -3.605 4.769 4.380 49 HD23 LEU 6 HD23 LEU 6 -2.406 4.227 3.201 50 H SER 7 HN SER 7 -1.594 3.754 0.955 51 HA SER 7 HA SER 7 -2.818 4.641 -1.512 52 HB2 SER 7 HB2 SER 7 -2.573 1.836 -0.404 53 HB3 SER 7 HB1 SER 7 -2.874 2.309 -2.071 54 HG SER 7 HG SER 7 -0.679 3.524 -1.469 55 H GLY 8 HN GLY 8 -4.904 5.112 -1.608 56 HA2 GLY 8 HA2 GLY 8 -7.048 3.667 -0.903 57 HA3 GLY 8 HA1 GLY 8 -6.640 4.447 0.617 58 H THR 9 HN THR 9 -7.842 6.143 0.977 59 HA THR 9 HA THR 9 -9.286 7.464 -1.071 60 HB THR 9 HB THR 9 -10.311 7.390 1.064 61 HG1 THR 9 HG1 THR 9 -10.432 9.433 -0.193 62 HG21 THR 9 HG21 THR 9 -8.314 7.168 2.452 63 HG22 THR 9 HG22 THR 9 -9.375 8.436 3.066 64 HG23 THR 9 HG23 THR 9 -7.919 8.863 2.166 65 H PHE 10 HN PHE 10 -6.416 8.439 0.841 66 HA PHE 10 HA PHE 10 -6.194 10.853 -0.778 67 HB2 PHE 10 HB2 PHE 10 -3.975 10.221 1.046 68 HB3 PHE 10 HB1 PHE 10 -4.864 11.720 0.841 69 HD1 PHE 10 HD1 PHE 10 -4.603 8.597 2.664 70 HD2 PHE 10 HD2 PHE 10 -6.847 12.174 2.164 71 HE1 PHE 10 HE1 PHE 10 -5.714 8.204 4.832 72 HE2 PHE 10 HE2 PHE 10 -7.965 11.789 4.321 73 HZ PHE 10 HZ PHE 10 -7.395 9.803 5.660 74 H LYS 11 HN LYS 11 -4.497 11.207 -2.214 75 HA LYS 11 HA LYS 11 -2.531 10.906 -3.324 76 HB2 LYS 11 HB2 LYS 11 -1.945 8.898 -1.151 77 HB3 LYS 11 HB1 LYS 11 -0.768 9.678 -2.193 78 HG2 LYS 11 HG2 LYS 11 -0.793 11.610 -1.008 79 HG3 LYS 11 HG1 LYS 11 -2.491 11.437 -0.554 80 HD2 LYS 11 HD2 LYS 11 -1.982 9.879 1.144 81 HD3 LYS 11 HD1 LYS 11 -0.360 9.623 0.533 82 HE2 LYS 11 HE2 LYS 11 -0.298 10.973 2.547 83 HE3 LYS 11 HE1 LYS 11 0.229 11.926 1.162 84 HZ1 LYS 11 HZ1 LYS 11 -1.285 13.140 2.634 85 HZ2 LYS 11 HZ2 LYS 11 -2.499 12.005 2.333 86 HZ3 LYS 11 HZ3 LYS 11 -1.920 12.978 1.075 87 H GLY 12 HN GLY 12 -4.874 9.119 -3.873 88 HA2 GLY 12 HA2 GLY 12 -5.023 7.714 -5.778 89 HA3 GLY 12 HA1 GLY 12 -3.382 7.179 -5.491 90 HA PRO 13 HA PRO 13 -6.600 4.403 -3.272 91 HB2 PRO 13 HB2 PRO 13 -7.701 3.126 -5.588 92 HB3 PRO 13 HB1 PRO 13 -8.528 4.162 -4.424 93 HG2 PRO 13 HG2 PRO 13 -8.093 4.834 -7.053 94 HG3 PRO 13 HG1 PRO 13 -8.325 6.013 -5.751 95 HD2 PRO 13 HD2 PRO 13 -5.779 5.045 -6.997 96 HD3 PRO 13 HD1 PRO 13 -6.260 6.693 -6.539 97 H CYS 14 HN CYS 14 -7.057 1.831 -3.923 98 HA CYS 14 HA CYS 14 -4.803 0.615 -5.215 99 HB2 CYS 14 HB2 CYS 14 -4.366 1.320 -2.607 100 HB3 CYS 14 HB1 CYS 14 -4.935 -0.336 -2.436 101 H ILE 15 HN ILE 15 -6.494 -0.862 -2.467 102 HA ILE 15 HA ILE 15 -8.251 -2.342 -4.260 103 HB ILE 15 HB ILE 15 -7.573 -4.521 -3.399 104 HG12 ILE 15 HG12 ILE 15 -5.522 -2.888 -1.895 105 HG13 ILE 15 HG11 ILE 15 -6.660 -4.083 -1.279 106 HG21 ILE 15 HG21 ILE 15 -5.309 -2.987 -4.667 107 HG22 ILE 15 HG22 ILE 15 -6.632 -3.800 -5.505 108 HG23 ILE 15 HG23 ILE 15 -5.444 -4.744 -4.607 109 HD11 ILE 15 HD11 ILE 15 -4.409 -4.949 -1.256 110 HD12 ILE 15 HD12 ILE 15 -4.265 -4.670 -2.991 111 HD13 ILE 15 HD13 ILE 15 -5.415 -5.860 -2.382 112 HA PRO 16 HA PRO 16 -10.686 -1.946 -0.579 113 HB2 PRO 16 HB2 PRO 16 -13.005 -2.845 -1.563 114 HB3 PRO 16 HB1 PRO 16 -12.286 -1.334 -2.126 115 HG2 PRO 16 HG2 PRO 16 -12.431 -3.971 -3.472 116 HG3 PRO 16 HG1 PRO 16 -12.379 -2.350 -4.178 117 HD2 PRO 16 HD2 PRO 16 -10.216 -4.173 -3.865 118 HD3 PRO 16 HD1 PRO 16 -10.133 -2.502 -4.439 119 H ASP 17 HN ASP 17 -9.159 -4.592 -1.139 120 HA ASP 17 HA ASP 17 -11.012 -6.584 -0.159 121 HB2 ASP 17 HB2 ASP 17 -8.077 -6.792 -0.829 122 HB3 ASP 17 HB1 ASP 17 -9.095 -8.147 -0.356 123 H GLY 18 HN GLY 18 -8.682 -4.461 1.222 124 HA2 GLY 18 HA2 GLY 18 -8.236 -4.074 3.456 125 HA3 GLY 18 HA1 GLY 18 -9.371 -5.351 3.862 126 H ASN 19 HN ASN 19 -6.474 -5.480 1.901 127 HA ASN 19 HA ASN 19 -5.193 -7.355 3.755 128 HB2 ASN 19 HB2 ASN 19 -4.592 -8.790 1.852 129 HB3 ASN 19 HB1 ASN 19 -6.345 -8.642 1.964 130 HD21 ASN 19 HD21 ASN 19 -6.769 -6.215 0.831 131 HD22 ASN 19 HD22 ASN 19 -6.261 -6.167 -0.804 132 H CYS 20 HN CYS 20 -4.580 -4.696 3.567 133 HA CYS 20 HA CYS 20 -3.241 -3.829 1.366 134 HB2 CYS 20 HB2 CYS 20 -2.502 -1.962 2.727 135 HB3 CYS 20 HB1 CYS 20 -4.188 -2.298 3.018 136 H ASN 21 HN ASN 21 -1.530 -4.306 4.468 137 HA ASN 21 HA ASN 21 0.986 -4.075 3.381 138 HB2 ASN 21 HB2 ASN 21 1.893 -5.069 5.409 139 HB3 ASN 21 HB1 ASN 21 0.594 -3.948 5.787 140 HD21 ASN 21 HD21 ASN 21 -1.541 -5.735 5.125 141 HD22 ASN 21 HD22 ASN 21 -1.594 -6.934 6.374 142 H LYS 22 HN LYS 22 -0.821 -7.102 3.836 143 HA LYS 22 HA LYS 22 1.316 -8.731 2.974 144 HB2 LYS 22 HB2 LYS 22 -0.642 -10.392 2.497 145 HB3 LYS 22 HB1 LYS 22 -0.219 -9.962 4.145 146 HG2 LYS 22 HG2 LYS 22 -2.064 -8.389 4.228 147 HG3 LYS 22 HG1 LYS 22 -2.482 -8.757 2.553 148 HD2 LYS 22 HD2 LYS 22 -3.052 -11.001 3.108 149 HD3 LYS 22 HD1 LYS 22 -2.375 -10.841 4.729 150 HE2 LYS 22 HE2 LYS 22 -4.107 -9.311 5.362 151 HE3 LYS 22 HE1 LYS 22 -4.719 -9.251 3.713 152 HZ1 LYS 22 HZ1 LYS 22 -6.084 -10.683 5.042 153 HZ2 LYS 22 HZ2 LYS 22 -4.749 -11.611 5.503 154 HZ3 LYS 22 HZ3 LYS 22 -5.262 -11.611 3.890 155 H HIS 23 HN HIS 23 -1.205 -7.031 1.187 156 HA HIS 23 HA HIS 23 -0.964 -8.477 -1.210 157 HB2 HIS 23 HB2 HIS 23 -2.781 -6.821 -0.734 158 HB3 HIS 23 HB1 HIS 23 -1.609 -5.535 -1.007 159 HD1 HIS 23 HD1 HIS 23 -1.046 -4.947 -3.434 160 HD2 HIS 23 HD2 HIS 23 -3.480 -8.300 -3.069 161 HE1 HIS 23 HE1 HIS 23 -1.830 -5.470 -5.760 162 HE2 HIS 23 HE2 HIS 23 -3.386 -7.434 -5.503 163 H CYS 24 HN CYS 24 0.493 -5.292 -0.451 164 HA CYS 24 HA CYS 24 2.219 -5.161 -2.632 165 HB2 CYS 24 HB2 CYS 24 2.522 -4.154 0.180 166 HB3 CYS 24 HB1 CYS 24 3.805 -3.955 -0.991 167 H ARG 25 HN ARG 25 2.902 -6.496 0.620 168 HA ARG 25 HA ARG 25 5.553 -7.084 0.036 169 HB2 ARG 25 HB2 ARG 25 3.725 -7.745 2.243 170 HB3 ARG 25 HB1 ARG 25 5.192 -8.703 2.102 171 HG2 ARG 25 HG2 ARG 25 6.088 -7.014 3.307 172 HG3 ARG 25 HG1 ARG 25 6.177 -6.254 1.714 173 HD2 ARG 25 HD2 ARG 25 5.123 -4.579 2.925 174 HD3 ARG 25 HD1 ARG 25 3.788 -5.508 2.219 175 HE ARG 25 HE ARG 25 3.236 -6.393 4.275 176 HH11 ARG 25 HH11 ARG 25 6.133 -4.442 4.578 177 HH12 ARG 25 HH12 ARG 25 6.054 -4.385 6.306 178 HH21 ARG 25 HH21 ARG 25 3.153 -6.330 6.535 179 HH22 ARG 25 HH22 ARG 25 4.356 -5.447 7.419 180 H ASN 26 HN ASN 26 2.710 -8.986 -0.478 181 HA ASN 26 HA ASN 26 4.242 -11.425 -0.853 182 HB2 ASN 26 HB2 ASN 26 1.315 -10.774 -1.092 183 HB3 ASN 26 HB1 ASN 26 1.958 -12.297 -1.685 184 HD21 ASN 26 HD21 ASN 26 3.303 -10.730 1.090 185 HD22 ASN 26 HD22 ASN 26 2.724 -11.857 2.265 186 H ASN 27 HN ASN 27 2.588 -9.058 -2.868 187 HA ASN 27 HA ASN 27 3.083 -10.638 -5.248 188 HB2 ASN 27 HB2 ASN 27 1.718 -7.971 -4.875 189 HB3 ASN 27 HB1 ASN 27 1.832 -8.830 -6.407 190 HD21 ASN 27 HD21 ASN 27 0.362 -8.735 -3.258 191 HD22 ASN 27 HD22 ASN 27 -0.855 -9.938 -3.580 192 H GLU 28 HN GLU 28 3.970 -7.373 -4.102 193 HA GLU 28 HA GLU 28 6.039 -7.306 -6.199 194 HB2 GLU 28 HB2 GLU 28 4.302 -5.513 -6.226 195 HB3 GLU 28 HB1 GLU 28 4.850 -4.996 -4.639 196 HG2 GLU 28 HG2 GLU 28 5.758 -3.563 -6.329 197 HG3 GLU 28 HG1 GLU 28 7.054 -4.499 -5.588 198 H HIS 29 HN HIS 29 5.464 -7.371 -2.856 199 HA HIS 29 HA HIS 29 6.722 -7.566 -1.044 200 HB2 HIS 29 HB2 HIS 29 8.146 -9.028 -2.704 201 HB3 HIS 29 HB1 HIS 29 9.316 -7.726 -2.467 202 HD1 HIS 29 HD1 HIS 29 8.577 -7.159 0.537 203 HD2 HIS 29 HD2 HIS 29 9.411 -10.898 -1.065 204 HE1 HIS 29 HE1 HIS 29 9.091 -8.618 2.501 205 HE2 HIS 29 HE2 HIS 29 9.867 -10.796 1.478 206 H LEU 30 HN LEU 30 6.003 -5.124 -1.330 207 HA LEU 30 HA LEU 30 8.295 -3.370 -1.407 208 HB2 LEU 30 HB2 LEU 30 5.478 -2.652 -0.629 209 HB3 LEU 30 HB1 LEU 30 6.778 -1.548 -1.026 210 HG LEU 30 HG LEU 30 5.191 -3.309 -2.869 211 HD11 LEU 30 HD11 LEU 30 4.846 -1.234 -4.068 212 HD12 LEU 30 HD12 LEU 30 5.904 -0.386 -2.940 213 HD13 LEU 30 HD13 LEU 30 4.365 -1.042 -2.377 214 HD21 LEU 30 HD21 LEU 30 7.511 -3.700 -3.444 215 HD22 LEU 30 HD22 LEU 30 7.815 -1.962 -3.481 216 HD23 LEU 30 HD23 LEU 30 6.736 -2.696 -4.669 217 H LEU 31 HN LEU 31 7.809 -1.522 0.587 218 HA LEU 31 HA LEU 31 9.138 -3.116 2.629 219 HB2 LEU 31 HB2 LEU 31 8.913 -0.126 2.512 220 HB3 LEU 31 HB1 LEU 31 10.104 -1.080 3.381 221 HG LEU 31 HG LEU 31 9.832 -0.742 0.412 222 HD11 LEU 31 HD11 LEU 31 10.990 1.067 1.588 223 HD12 LEU 31 HD12 LEU 31 12.098 0.151 0.568 224 HD13 LEU 31 HD13 LEU 31 12.088 -0.109 2.310 225 HD21 LEU 31 HD21 LEU 31 10.336 -3.046 0.784 226 HD22 LEU 31 HD22 LEU 31 11.609 -2.633 1.935 227 HD23 LEU 31 HD23 LEU 31 11.800 -2.233 0.228 228 H SER 32 HN SER 32 6.627 -0.521 2.701 229 HA SER 32 HA SER 32 5.813 -1.656 5.301 230 HB2 SER 32 HB2 SER 32 5.927 0.941 4.644 231 HB3 SER 32 HB1 SER 32 4.291 0.603 4.100 232 HG SER 32 HG SER 32 5.290 0.029 6.700 233 H GLY 33 HN GLY 33 4.872 -1.299 2.022 234 HA2 GLY 33 HA2 GLY 33 3.583 -2.581 0.717 235 HA3 GLY 33 HA1 GLY 33 3.671 -3.779 1.974 236 H ARG 34 HN ARG 34 2.110 -0.882 3.014 237 HA ARG 34 HA ARG 34 -0.291 -2.432 3.298 238 HB2 ARG 34 HB2 ARG 34 -0.163 0.531 3.862 239 HB3 ARG 34 HB1 ARG 34 -1.095 -0.731 4.667 240 HG2 ARG 34 HG2 ARG 34 0.806 -1.545 5.819 241 HG3 ARG 34 HG1 ARG 34 1.881 -0.486 4.897 242 HD2 ARG 34 HD2 ARG 34 0.495 1.465 5.807 243 HD3 ARG 34 HD1 ARG 34 -0.204 0.290 6.928 244 HE ARG 34 HE ARG 34 2.670 0.959 6.823 245 HH11 ARG 34 HH11 ARG 34 -0.164 -0.105 8.597 246 HH12 ARG 34 HH12 ARG 34 0.605 0.035 10.145 247 HH21 ARG 34 HH21 ARG 34 3.668 1.145 8.871 248 HH22 ARG 34 HH22 ARG 34 2.771 0.739 10.300 249 H CYS 35 HN CYS 35 -0.892 -2.799 1.009 250 HA CYS 35 HA CYS 35 -1.931 -0.445 -0.365 251 HB2 CYS 35 HB2 CYS 35 -0.702 -1.767 -1.854 252 HB3 CYS 35 HB1 CYS 35 -1.429 -3.255 -1.261 253 H ARG 36 HN ARG 36 -3.954 0.244 -0.010 254 HA ARG 36 HA ARG 36 -6.134 -1.648 -0.358 255 HB2 ARG 36 HB2 ARG 36 -5.492 -0.366 2.204 256 HB3 ARG 36 HB1 ARG 36 -7.180 -0.316 1.742 257 HG2 ARG 36 HG2 ARG 36 -7.229 -2.736 1.602 258 HG3 ARG 36 HG1 ARG 36 -5.517 -2.820 2.004 259 HD2 ARG 36 HD2 ARG 36 -6.393 -1.309 4.049 260 HD3 ARG 36 HD1 ARG 36 -7.858 -2.207 3.683 261 HE ARG 36 HE ARG 36 -6.124 -4.187 3.926 262 HH11 ARG 36 HH11 ARG 36 -6.597 -1.348 5.910 263 HH12 ARG 36 HH12 ARG 36 -6.247 -2.165 7.397 264 HH21 ARG 36 HH21 ARG 36 -5.711 -5.291 5.914 265 HH22 ARG 36 HH22 ARG 36 -5.744 -4.397 7.398 266 H ASP 37 HN ASP 37 -8.298 -0.449 -0.373 267 HA ASP 37 HA ASP 37 -7.945 2.194 -1.631 268 HB2 ASP 37 HB2 ASP 37 -8.481 0.712 -3.393 269 HB3 ASP 37 HB1 ASP 37 -9.705 -0.114 -2.435 270 H ASP 38 HN ASP 38 -10.759 0.264 -0.567 271 HA ASP 38 HA ASP 38 -12.250 2.449 0.355 272 HB2 ASP 38 HB2 ASP 38 -13.200 0.187 -0.084 273 HB3 ASP 38 HB1 ASP 38 -12.387 -0.406 1.363 274 H PHE 39 HN PHE 39 -9.898 0.428 1.857 275 HA PHE 39 HA PHE 39 -10.017 1.942 4.363 276 HB2 PHE 39 HB2 PHE 39 -8.269 -0.443 3.932 277 HB3 PHE 39 HB1 PHE 39 -9.028 0.114 5.413 278 HD1 PHE 39 HD1 PHE 39 -9.358 -2.020 2.494 279 HD2 PHE 39 HD2 PHE 39 -11.439 -0.282 5.789 280 HE1 PHE 39 HE1 PHE 39 -11.189 -3.632 2.195 281 HE2 PHE 39 HE2 PHE 39 -13.264 -1.900 5.488 282 HZ PHE 39 HZ PHE 39 -13.141 -3.576 3.690 283 H ARG 40 HN ARG 40 -7.685 2.354 5.276 284 HA ARG 40 HA ARG 40 -6.133 3.406 3.000 285 HB2 ARG 40 HB2 ARG 40 -5.472 5.247 4.668 286 HB3 ARG 40 HB1 ARG 40 -7.097 5.309 4.000 287 HG2 ARG 40 HG2 ARG 40 -8.004 4.348 6.022 288 HG3 ARG 40 HG1 ARG 40 -6.384 4.155 6.690 289 HD2 ARG 40 HD2 ARG 40 -7.472 6.830 5.871 290 HD3 ARG 40 HD1 ARG 40 -7.751 6.157 7.474 291 HE ARG 40 HE ARG 40 -5.012 6.044 6.987 292 HH11 ARG 40 HH11 ARG 40 -7.509 8.459 7.381 293 HH12 ARG 40 HH12 ARG 40 -6.433 9.656 8.031 294 HH21 ARG 40 HH21 ARG 40 -3.589 7.603 7.884 295 HH22 ARG 40 HH22 ARG 40 -4.203 9.166 8.317 296 H CYS 41 HN CYS 41 -4.231 2.540 2.843 297 HA CYS 41 HA CYS 41 -2.756 1.844 5.265 298 HB2 CYS 41 HB2 CYS 41 -3.855 0.084 3.251 299 HB3 CYS 41 HB1 CYS 41 -2.134 -0.166 3.464 300 H TRP 42 HN TRP 42 -0.571 2.418 5.227 301 HA TRP 42 HA TRP 42 0.494 3.836 2.928 302 HB2 TRP 42 HB2 TRP 42 1.798 3.117 5.558 303 HB3 TRP 42 HB1 TRP 42 2.517 4.145 4.336 304 HD1 TRP 42 HD1 TRP 42 -0.038 4.155 7.141 305 HE1 TRP 42 HE1 TRP 42 -0.687 6.590 7.661 306 HE3 TRP 42 HE3 TRP 42 2.234 6.479 3.187 307 HZ2 TRP 42 HZ2 TRP 42 -0.291 9.151 6.541 308 HZ3 TRP 42 HZ3 TRP 42 2.046 8.907 2.982 309 HH2 TRP 42 HH2 TRP 42 0.805 10.225 4.620 310 H CYS 43 HN CYS 43 1.219 2.498 1.186 311 HA CYS 43 HA CYS 43 3.042 0.322 1.956 312 HB2 CYS 43 HB2 CYS 43 1.291 -0.217 0.271 313 HB3 CYS 43 HB1 CYS 43 2.027 0.946 -0.833 314 H THR 44 HN THR 44 5.065 0.724 2.116 315 HA THR 44 HA THR 44 6.236 3.128 0.946 316 HB THR 44 HB THR 44 7.492 1.272 2.968 317 HG1 THR 44 HG1 THR 44 6.448 3.592 3.956 318 HG21 THR 44 HG21 THR 44 8.007 4.129 2.176 319 HG22 THR 44 HG22 THR 44 9.095 2.747 2.027 320 HG23 THR 44 HG23 THR 44 8.682 3.375 3.620 321 H ASN 45 HN ASN 45 7.852 3.097 -0.507 322 HA ASN 45 HA ASN 45 9.600 0.828 -0.829 323 HB2 ASN 45 HB2 ASN 45 7.592 0.282 -2.267 324 HB3 ASN 45 HB1 ASN 45 7.967 1.712 -3.221 325 HD21 ASN 45 HD21 ASN 45 9.158 -1.426 -2.205 326 HD22 ASN 45 HD22 ASN 45 10.218 -1.669 -3.550 327 H ARG 46 HN ARG 46 10.978 1.540 -3.072 328 HA ARG 46 HA ARG 46 11.946 4.181 -2.262 329 HB2 ARG 46 HB2 ARG 46 13.335 2.186 -4.057 330 HB3 ARG 46 HB1 ARG 46 14.028 3.621 -3.332 331 HG2 ARG 46 HG2 ARG 46 14.851 2.117 -1.886 332 HG3 ARG 46 HG1 ARG 46 13.287 2.376 -1.111 333 HD2 ARG 46 HD2 ARG 46 12.385 0.423 -2.201 334 HD3 ARG 46 HD1 ARG 46 13.889 0.181 -3.084 335 HE ARG 46 HE ARG 46 14.393 0.231 -0.308 336 HH11 ARG 46 HH11 ARG 46 13.014 -1.839 -2.772 337 HH12 ARG 46 HH12 ARG 46 13.393 -3.301 -1.924 338 HH21 ARG 46 HH21 ARG 46 14.908 -1.676 0.788 339 HH22 ARG 46 HH22 ARG 46 14.476 -3.211 0.104 340 H CYS 47 HN CYS 47 11.755 5.905 -3.554 341 HA CYS 47 HA CYS 47 10.795 5.433 -6.293 342 HB2 CYS 47 HB2 CYS 47 9.584 7.524 -6.185 343 HB3 CYS 47 HB1 CYS 47 9.129 6.535 -4.806 Start of MODEL 17 1 H1 LYS 1 HT1 LYS 1 12.106 6.678 7.838 2 H2 LYS 1 HT2 LYS 1 11.696 7.709 6.562 3 H3 LYS 1 HT3 LYS 1 13.266 7.095 6.681 4 HA LYS 1 HA LYS 1 12.515 4.887 6.269 5 HB2 LYS 1 HB2 LYS 1 10.105 4.567 5.584 6 HB3 LYS 1 HB1 LYS 1 10.375 4.860 7.294 7 HG2 LYS 1 HG2 LYS 1 9.801 7.253 6.888 8 HG3 LYS 1 HG1 LYS 1 9.346 6.805 5.247 9 HD2 LYS 1 HD2 LYS 1 7.552 5.493 5.975 10 HD3 LYS 1 HD1 LYS 1 8.181 5.389 7.621 11 HE2 LYS 1 HE2 LYS 1 6.361 6.876 7.738 12 HE3 LYS 1 HE1 LYS 1 7.799 7.892 7.772 13 HZ1 LYS 1 HZ1 LYS 1 5.956 7.428 5.500 14 HZ2 LYS 1 HZ2 LYS 1 7.465 8.177 5.322 15 HZ3 LYS 1 HZ3 LYS 1 6.282 8.889 6.293 16 H THR 2 HN THR 2 10.948 4.407 4.066 17 HA THR 2 HA THR 2 12.418 5.916 2.045 18 HB THR 2 HB THR 2 11.347 3.926 0.668 19 HG1 THR 2 HG1 THR 2 11.962 2.343 2.783 20 HG21 THR 2 HG21 THR 2 13.459 2.709 1.026 21 HG22 THR 2 HG22 THR 2 13.796 3.750 2.413 22 HG23 THR 2 HG23 THR 2 13.716 4.437 0.789 23 H CYS 3 HN CYS 3 11.067 5.865 -0.148 24 HA CYS 3 HA CYS 3 9.142 7.864 0.175 25 HB2 CYS 3 HB2 CYS 3 9.372 5.981 -2.179 26 HB3 CYS 3 HB1 CYS 3 8.729 7.623 -2.184 27 H GLU 4 HN GLU 4 7.204 7.690 1.050 28 HA GLU 4 HA GLU 4 5.770 5.136 0.799 29 HB2 GLU 4 HB2 GLU 4 6.772 5.274 3.022 30 HB3 GLU 4 HB1 GLU 4 6.070 6.864 3.263 31 HG2 GLU 4 HG2 GLU 4 3.804 5.771 3.029 32 HG3 GLU 4 HG1 GLU 4 4.643 4.213 3.129 33 H ASN 5 HN ASN 5 3.667 5.290 0.312 34 HA ASN 5 HA ASN 5 2.380 7.885 0.746 35 HB2 ASN 5 HB2 ASN 5 1.389 7.978 -1.359 36 HB3 ASN 5 HB1 ASN 5 3.008 7.425 -1.717 37 HD21 ASN 5 HD21 ASN 5 -0.332 6.529 -1.454 38 HD22 ASN 5 HD22 ASN 5 -0.228 5.082 -2.406 39 H LEU 6 HN LEU 6 0.112 7.744 0.958 40 HA LEU 6 HA LEU 6 -0.648 5.249 2.230 41 HB2 LEU 6 HB2 LEU 6 -1.072 7.799 3.003 42 HB3 LEU 6 HB1 LEU 6 -2.568 7.490 2.142 43 HG LEU 6 HG LEU 6 -1.503 5.915 4.518 44 HD11 LEU 6 HD11 LEU 6 -2.457 8.082 5.108 45 HD12 LEU 6 HD12 LEU 6 -3.525 6.774 5.614 46 HD13 LEU 6 HD13 LEU 6 -3.909 7.717 4.176 47 HD21 LEU 6 HD21 LEU 6 -3.835 5.464 2.692 48 HD22 LEU 6 HD22 LEU 6 -3.795 4.856 4.348 49 HD23 LEU 6 HD23 LEU 6 -2.569 4.331 3.190 50 H SER 7 HN SER 7 -1.685 3.786 1.175 51 HA SER 7 HA SER 7 -2.949 4.373 -1.361 52 HB2 SER 7 HB2 SER 7 -2.487 1.733 0.048 53 HB3 SER 7 HB1 SER 7 -2.967 1.959 -1.628 54 HG SER 7 HG SER 7 -0.968 2.967 -2.010 55 H GLY 8 HN GLY 8 -5.030 4.852 -1.396 56 HA2 GLY 8 HA2 GLY 8 -7.072 3.252 -0.429 57 HA3 GLY 8 HA1 GLY 8 -6.785 4.468 0.807 58 H THR 9 HN THR 9 -6.233 6.680 -0.596 59 HA THR 9 HA THR 9 -8.028 7.275 -2.685 60 HB THR 9 HB THR 9 -9.796 6.949 -1.056 61 HG1 THR 9 HG1 THR 9 -10.234 8.663 -2.392 62 HG21 THR 9 HG21 THR 9 -8.366 8.972 0.671 63 HG22 THR 9 HG22 THR 9 -8.484 7.243 0.992 64 HG23 THR 9 HG23 THR 9 -9.936 8.245 1.013 65 H PHE 10 HN PHE 10 -6.688 8.628 0.295 66 HA PHE 10 HA PHE 10 -5.753 11.053 -0.863 67 HB2 PHE 10 HB2 PHE 10 -6.164 10.380 1.632 68 HB3 PHE 10 HB1 PHE 10 -4.558 9.673 1.541 69 HD1 PHE 10 HD1 PHE 10 -2.789 10.946 2.205 70 HD2 PHE 10 HD2 PHE 10 -6.299 12.882 0.785 71 HE1 PHE 10 HE1 PHE 10 -1.820 13.134 2.791 72 HE2 PHE 10 HE2 PHE 10 -5.330 15.070 1.357 73 HZ PHE 10 HZ PHE 10 -3.089 15.198 2.362 74 H LYS 11 HN LYS 11 -3.734 11.417 -1.834 75 HA LYS 11 HA LYS 11 -1.911 10.889 -3.083 76 HB2 LYS 11 HB2 LYS 11 -1.776 8.488 -1.293 77 HB3 LYS 11 HB1 LYS 11 -0.658 8.722 -2.622 78 HG2 LYS 11 HG2 LYS 11 0.467 9.465 -0.714 79 HG3 LYS 11 HG1 LYS 11 -0.058 10.925 -1.541 80 HD2 LYS 11 HD2 LYS 11 -1.873 11.211 -0.010 81 HD3 LYS 11 HD1 LYS 11 -1.549 9.649 0.745 82 HE2 LYS 11 HE2 LYS 11 -0.682 11.488 2.106 83 HE3 LYS 11 HE1 LYS 11 0.628 10.474 1.507 84 HZ1 LYS 11 HZ1 LYS 11 -0.208 13.043 0.273 85 HZ2 LYS 11 HZ2 LYS 11 1.117 12.095 -0.176 86 HZ3 LYS 11 HZ3 LYS 11 1.099 12.864 1.327 87 H GLY 12 HN GLY 12 -3.051 7.683 -2.563 88 HA2 GLY 12 HA2 GLY 12 -4.449 7.506 -5.058 89 HA3 GLY 12 HA1 GLY 12 -2.889 6.695 -5.107 90 HA PRO 13 HA PRO 13 -5.987 3.894 -2.953 91 HB2 PRO 13 HB2 PRO 13 -7.191 2.783 -5.244 92 HB3 PRO 13 HB1 PRO 13 -7.912 3.951 -4.139 93 HG2 PRO 13 HG2 PRO 13 -7.263 4.408 -6.821 94 HG3 PRO 13 HG1 PRO 13 -7.632 5.650 -5.613 95 HD2 PRO 13 HD2 PRO 13 -4.980 4.685 -6.594 96 HD3 PRO 13 HD1 PRO 13 -5.491 6.324 -6.138 97 H CYS 14 HN CYS 14 -6.499 1.381 -3.828 98 HA CYS 14 HA CYS 14 -4.351 0.232 -5.316 99 HB2 CYS 14 HB2 CYS 14 -3.467 0.720 -2.907 100 HB3 CYS 14 HB1 CYS 14 -4.415 -0.691 -2.461 101 H ILE 15 HN ILE 15 -6.191 -1.190 -2.581 102 HA ILE 15 HA ILE 15 -7.940 -2.608 -4.438 103 HB ILE 15 HB ILE 15 -7.469 -4.799 -3.360 104 HG12 ILE 15 HG12 ILE 15 -4.957 -3.457 -2.349 105 HG13 ILE 15 HG11 ILE 15 -6.371 -3.773 -1.347 106 HG21 ILE 15 HG21 ILE 15 -6.568 -4.317 -5.562 107 HG22 ILE 15 HG22 ILE 15 -5.427 -5.287 -4.629 108 HG23 ILE 15 HG23 ILE 15 -5.153 -3.556 -4.835 109 HD11 ILE 15 HD11 ILE 15 -4.638 -5.449 -1.051 110 HD12 ILE 15 HD12 ILE 15 -4.745 -5.857 -2.765 111 HD13 ILE 15 HD13 ILE 15 -6.121 -6.143 -1.701 112 HA PRO 16 HA PRO 16 -10.502 -1.830 -0.919 113 HB2 PRO 16 HB2 PRO 16 -12.851 -2.640 -1.987 114 HB3 PRO 16 HB1 PRO 16 -12.024 -1.165 -2.490 115 HG2 PRO 16 HG2 PRO 16 -12.345 -3.709 -3.923 116 HG3 PRO 16 HG1 PRO 16 -11.964 -2.103 -4.558 117 HD2 PRO 16 HD2 PRO 16 -10.167 -4.287 -4.029 118 HD3 PRO 16 HD1 PRO 16 -9.790 -2.697 -4.710 119 H ASP 17 HN ASP 17 -9.073 -4.194 -0.454 120 HA ASP 17 HA ASP 17 -11.185 -6.043 0.457 121 HB2 ASP 17 HB2 ASP 17 -8.351 -6.582 -0.384 122 HB3 ASP 17 HB1 ASP 17 -9.303 -7.758 0.515 123 H GLY 18 HN GLY 18 -8.542 -4.072 1.499 124 HA2 GLY 18 HA2 GLY 18 -8.299 -3.339 3.724 125 HA3 GLY 18 HA1 GLY 18 -9.256 -4.703 4.258 126 H ASN 19 HN ASN 19 -7.185 -6.051 2.258 127 HA ASN 19 HA ASN 19 -5.393 -6.870 4.398 128 HB2 ASN 19 HB2 ASN 19 -4.709 -8.550 2.513 129 HB3 ASN 19 HB1 ASN 19 -6.244 -8.756 3.342 130 HD21 ASN 19 HD21 ASN 19 -5.665 -6.250 0.979 131 HD22 ASN 19 HD22 ASN 19 -6.752 -6.862 -0.210 132 H CYS 20 HN CYS 20 -4.582 -4.527 4.049 133 HA CYS 20 HA CYS 20 -3.340 -3.796 1.708 134 HB2 CYS 20 HB2 CYS 20 -2.325 -1.982 3.031 135 HB3 CYS 20 HB1 CYS 20 -4.052 -2.126 3.249 136 H ASN 21 HN ASN 21 -1.820 -5.015 4.698 137 HA ASN 21 HA ASN 21 0.805 -4.726 3.739 138 HB2 ASN 21 HB2 ASN 21 -0.393 -6.401 5.922 139 HB3 ASN 21 HB1 ASN 21 1.312 -6.541 5.523 140 HD21 ASN 21 HD21 ASN 21 1.471 -3.700 4.808 141 HD22 ASN 21 HD22 ASN 21 1.484 -2.870 6.320 142 H LYS 22 HN LYS 22 -1.088 -7.744 3.989 143 HA LYS 22 HA LYS 22 0.872 -9.360 2.927 144 HB2 LYS 22 HB2 LYS 22 -0.779 -11.024 2.726 145 HB3 LYS 22 HB1 LYS 22 -1.271 -10.041 4.088 146 HG2 LYS 22 HG2 LYS 22 -2.858 -8.861 2.616 147 HG3 LYS 22 HG1 LYS 22 -2.397 -9.938 1.303 148 HD2 LYS 22 HD2 LYS 22 -4.422 -10.755 2.282 149 HD3 LYS 22 HD1 LYS 22 -3.111 -11.861 2.687 150 HE2 LYS 22 HE2 LYS 22 -2.937 -10.862 4.903 151 HE3 LYS 22 HE1 LYS 22 -4.210 -9.713 4.497 152 HZ1 LYS 22 HZ1 LYS 22 -4.496 -12.660 4.702 153 HZ2 LYS 22 HZ2 LYS 22 -5.722 -11.607 4.205 154 HZ3 LYS 22 HZ3 LYS 22 -5.115 -11.511 5.778 155 H HIS 23 HN HIS 23 -1.483 -7.349 1.223 156 HA HIS 23 HA HIS 23 -1.097 -8.654 -1.271 157 HB2 HIS 23 HB2 HIS 23 -3.087 -7.208 -0.683 158 HB3 HIS 23 HB1 HIS 23 -2.041 -5.813 -0.945 159 HD1 HIS 23 HD1 HIS 23 -1.783 -5.022 -3.326 160 HD2 HIS 23 HD2 HIS 23 -3.453 -8.822 -3.073 161 HE1 HIS 23 HE1 HIS 23 -2.502 -5.605 -5.662 162 HE2 HIS 23 HE2 HIS 23 -3.614 -7.854 -5.464 163 H CYS 24 HN CYS 24 0.049 -5.458 -0.104 164 HA CYS 24 HA CYS 24 1.603 -4.837 -2.354 165 HB2 CYS 24 HB2 CYS 24 1.188 -3.687 0.208 166 HB3 CYS 24 HB1 CYS 24 2.894 -3.958 0.056 167 H ARG 25 HN ARG 25 2.196 -6.902 0.370 168 HA ARG 25 HA ARG 25 5.051 -6.994 -0.088 169 HB2 ARG 25 HB2 ARG 25 3.338 -8.412 1.943 170 HB3 ARG 25 HB1 ARG 25 5.090 -8.352 1.936 171 HG2 ARG 25 HG2 ARG 25 3.317 -5.947 2.118 172 HG3 ARG 25 HG1 ARG 25 4.041 -6.759 3.511 173 HD2 ARG 25 HD2 ARG 25 5.921 -6.093 1.373 174 HD3 ARG 25 HD1 ARG 25 5.183 -4.683 2.137 175 HE ARG 25 HE ARG 25 6.035 -5.495 4.264 176 HH11 ARG 25 HH11 ARG 25 7.441 -6.950 1.404 177 HH12 ARG 25 HH12 ARG 25 8.858 -7.497 2.233 178 HH21 ARG 25 HH21 ARG 25 7.908 -6.204 5.337 179 HH22 ARG 25 HH22 ARG 25 9.129 -7.067 4.458 180 H ASN 26 HN ASN 26 2.256 -8.965 -0.768 181 HA ASN 26 HA ASN 26 3.905 -11.322 -1.237 182 HB2 ASN 26 HB2 ASN 26 0.962 -10.799 -1.303 183 HB3 ASN 26 HB1 ASN 26 1.601 -12.193 -2.158 184 HD21 ASN 26 HD21 ASN 26 3.084 -11.005 0.737 185 HD22 ASN 26 HD22 ASN 26 2.617 -12.318 1.753 186 H ASN 27 HN ASN 27 1.946 -9.092 -3.175 187 HA ASN 27 HA ASN 27 2.720 -10.502 -5.584 188 HB2 ASN 27 HB2 ASN 27 1.039 -9.383 -6.685 189 HB3 ASN 27 HB1 ASN 27 0.413 -9.349 -5.046 190 HD21 ASN 27 HD21 ASN 27 0.691 -7.385 -3.812 191 HD22 ASN 27 HD22 ASN 27 0.764 -5.867 -4.660 192 H GLU 28 HN GLU 28 3.427 -7.390 -4.045 193 HA GLU 28 HA GLU 28 5.264 -6.834 -6.273 194 HB2 GLU 28 HB2 GLU 28 3.343 -5.228 -5.711 195 HB3 GLU 28 HB1 GLU 28 4.266 -4.809 -4.280 196 HG2 GLU 28 HG2 GLU 28 4.692 -3.192 -5.978 197 HG3 GLU 28 HG1 GLU 28 6.147 -4.158 -5.740 198 H HIS 29 HN HIS 29 5.014 -7.330 -2.860 199 HA HIS 29 HA HIS 29 6.526 -7.692 -1.241 200 HB2 HIS 29 HB2 HIS 29 7.508 -9.166 -3.074 201 HB3 HIS 29 HB1 HIS 29 8.637 -7.857 -3.398 202 HD1 HIS 29 HD1 HIS 29 7.683 -10.274 -0.639 203 HD2 HIS 29 HD2 HIS 29 10.837 -7.806 -1.765 204 HE1 HIS 29 HE1 HIS 29 9.554 -10.796 0.954 205 HE2 HIS 29 HE2 HIS 29 11.503 -9.416 0.146 206 H LEU 30 HN LEU 30 5.850 -5.119 -1.526 207 HA LEU 30 HA LEU 30 8.162 -3.451 -1.857 208 HB2 LEU 30 HB2 LEU 30 5.466 -2.724 -0.715 209 HB3 LEU 30 HB1 LEU 30 6.736 -1.600 -1.158 210 HG LEU 30 HG LEU 30 4.993 -3.252 -2.962 211 HD11 LEU 30 HD11 LEU 30 4.176 -1.047 -2.273 212 HD12 LEU 30 HD12 LEU 30 4.537 -1.107 -4.001 213 HD13 LEU 30 HD13 LEU 30 5.658 -0.316 -2.895 214 HD21 LEU 30 HD21 LEU 30 7.217 -3.593 -3.799 215 HD22 LEU 30 HD22 LEU 30 7.569 -1.870 -3.677 216 HD23 LEU 30 HD23 LEU 30 6.378 -2.446 -4.841 217 H LEU 31 HN LEU 31 7.804 -1.593 0.257 218 HA LEU 31 HA LEU 31 9.503 -3.060 2.098 219 HB2 LEU 31 HB2 LEU 31 8.925 -0.115 2.113 220 HB3 LEU 31 HB1 LEU 31 10.320 -0.947 2.784 221 HG LEU 31 HG LEU 31 9.643 -0.651 -0.130 222 HD11 LEU 31 HD11 LEU 31 11.885 0.488 1.525 223 HD12 LEU 31 HD12 LEU 31 10.519 1.381 0.862 224 HD13 LEU 31 HD13 LEU 31 11.711 0.659 -0.220 225 HD21 LEU 31 HD21 LEU 31 10.620 -2.801 0.199 226 HD22 LEU 31 HD22 LEU 31 11.902 -2.121 1.203 227 HD23 LEU 31 HD23 LEU 31 11.832 -1.738 -0.517 228 H SER 32 HN SER 32 6.585 -1.004 2.321 229 HA SER 32 HA SER 32 6.344 -1.936 5.137 230 HB2 SER 32 HB2 SER 32 5.465 0.571 3.745 231 HB3 SER 32 HB1 SER 32 4.640 0.019 5.188 232 HG SER 32 HG SER 32 6.585 1.534 5.293 233 H GLY 33 HN GLY 33 4.826 -1.441 2.146 234 HA2 GLY 33 HA2 GLY 33 3.382 -2.683 0.998 235 HA3 GLY 33 HA1 GLY 33 3.583 -3.952 2.184 236 H ARG 34 HN ARG 34 2.269 -0.762 2.977 237 HA ARG 34 HA ARG 34 -0.165 -2.083 3.804 238 HB2 ARG 34 HB2 ARG 34 1.330 0.310 4.300 239 HB3 ARG 34 HB1 ARG 34 -0.340 0.751 4.028 240 HG2 ARG 34 HG2 ARG 34 -1.012 -0.699 5.869 241 HG3 ARG 34 HG1 ARG 34 0.656 -1.250 6.063 242 HD2 ARG 34 HD2 ARG 34 1.341 1.070 6.533 243 HD3 ARG 34 HD1 ARG 34 -0.347 1.594 6.414 244 HE ARG 34 HE ARG 34 -0.669 -0.100 8.325 245 HH11 ARG 34 HH11 ARG 34 2.251 1.789 7.845 246 HH12 ARG 34 HH12 ARG 34 2.683 1.772 9.521 247 HH21 ARG 34 HH21 ARG 34 -0.095 -0.113 10.530 248 HH22 ARG 34 HH22 ARG 34 1.347 0.700 11.051 249 H CYS 35 HN CYS 35 -0.705 -2.760 1.445 250 HA CYS 35 HA CYS 35 -1.770 -0.547 -0.135 251 HB2 CYS 35 HB2 CYS 35 -0.547 -1.722 -1.641 252 HB3 CYS 35 HB1 CYS 35 -0.817 -3.251 -0.815 253 H ARG 36 HN ARG 36 -3.850 0.059 0.227 254 HA ARG 36 HA ARG 36 -5.756 -1.841 -0.749 255 HB2 ARG 36 HB2 ARG 36 -7.411 -1.385 1.146 256 HB3 ARG 36 HB1 ARG 36 -6.151 -2.566 1.413 257 HG2 ARG 36 HG2 ARG 36 -4.879 -0.656 2.541 258 HG3 ARG 36 HG1 ARG 36 -6.433 0.176 2.556 259 HD2 ARG 36 HD2 ARG 36 -7.394 -1.879 3.627 260 HD3 ARG 36 HD1 ARG 36 -5.761 -2.479 3.837 261 HE ARG 36 HE ARG 36 -6.100 0.152 4.913 262 HH11 ARG 36 HH11 ARG 36 -6.598 -3.254 5.651 263 HH12 ARG 36 HH12 ARG 36 -6.691 -2.980 7.360 264 HH21 ARG 36 HH21 ARG 36 -6.239 0.473 7.168 265 HH22 ARG 36 HH22 ARG 36 -6.490 -0.888 8.215 266 H ASP 37 HN ASP 37 -8.103 -0.708 -0.501 267 HA ASP 37 HA ASP 37 -7.742 1.943 -1.733 268 HB2 ASP 37 HB2 ASP 37 -8.176 0.432 -3.511 269 HB3 ASP 37 HB1 ASP 37 -9.449 -0.378 -2.608 270 H ASP 38 HN ASP 38 -10.595 0.011 -0.883 271 HA ASP 38 HA ASP 38 -12.143 2.151 -0.022 272 HB2 ASP 38 HB2 ASP 38 -13.089 -0.027 -0.551 273 HB3 ASP 38 HB1 ASP 38 -12.262 -0.743 0.829 274 H PHE 39 HN PHE 39 -9.888 0.123 1.716 275 HA PHE 39 HA PHE 39 -10.102 1.914 4.038 276 HB2 PHE 39 HB2 PHE 39 -8.523 -0.639 3.946 277 HB3 PHE 39 HB1 PHE 39 -9.130 0.208 5.354 278 HD1 PHE 39 HD1 PHE 39 -11.521 0.094 5.925 279 HD2 PHE 39 HD2 PHE 39 -9.847 -2.266 2.781 280 HE1 PHE 39 HE1 PHE 39 -13.499 -1.362 5.968 281 HE2 PHE 39 HE2 PHE 39 -11.835 -3.713 2.826 282 HZ PHE 39 HZ PHE 39 -13.660 -3.267 4.419 283 H ARG 40 HN ARG 40 -7.796 2.416 4.983 284 HA ARG 40 HA ARG 40 -6.091 2.960 2.648 285 HB2 ARG 40 HB2 ARG 40 -5.603 5.183 3.586 286 HB3 ARG 40 HB1 ARG 40 -7.308 4.978 3.227 287 HG2 ARG 40 HG2 ARG 40 -7.758 4.569 5.595 288 HG3 ARG 40 HG1 ARG 40 -6.044 4.784 5.952 289 HD2 ARG 40 HD2 ARG 40 -6.189 7.079 5.030 290 HD3 ARG 40 HD1 ARG 40 -7.924 6.849 4.817 291 HE ARG 40 HE ARG 40 -6.990 6.377 7.502 292 HH11 ARG 40 HH11 ARG 40 -8.236 8.735 5.236 293 HH12 ARG 40 HH12 ARG 40 -8.734 9.847 6.469 294 HH21 ARG 40 HH21 ARG 40 -7.655 7.848 9.139 295 HH22 ARG 40 HH22 ARG 40 -8.410 9.342 8.683 296 H CYS 41 HN CYS 41 -4.128 2.285 2.794 297 HA CYS 41 HA CYS 41 -2.801 2.058 5.410 298 HB2 CYS 41 HB2 CYS 41 -3.464 -0.015 3.456 299 HB3 CYS 41 HB1 CYS 41 -1.800 -0.064 3.964 300 H TRP 42 HN TRP 42 -0.561 2.718 5.387 301 HA TRP 42 HA TRP 42 0.456 4.055 3.033 302 HB2 TRP 42 HB2 TRP 42 1.753 3.480 5.697 303 HB3 TRP 42 HB1 TRP 42 2.467 4.474 4.443 304 HD1 TRP 42 HD1 TRP 42 -0.166 4.530 7.181 305 HE1 TRP 42 HE1 TRP 42 -0.915 6.961 7.564 306 HE3 TRP 42 HE3 TRP 42 2.179 6.741 3.217 307 HZ2 TRP 42 HZ2 TRP 42 -0.560 9.475 6.345 308 HZ3 TRP 42 HZ3 TRP 42 1.929 9.154 2.897 309 HH2 TRP 42 HH2 TRP 42 0.586 10.502 4.428 310 H CYS 43 HN CYS 43 1.158 2.619 1.320 311 HA CYS 43 HA CYS 43 3.033 0.523 2.159 312 HB2 CYS 43 HB2 CYS 43 1.281 -0.067 0.447 313 HB3 CYS 43 HB1 CYS 43 2.116 0.993 -0.689 314 H THR 44 HN THR 44 5.108 0.760 2.109 315 HA THR 44 HA THR 44 6.225 3.222 1.007 316 HB THR 44 HB THR 44 7.606 1.333 2.914 317 HG1 THR 44 HG1 THR 44 6.270 3.658 3.791 318 HG21 THR 44 HG21 THR 44 8.018 4.168 2.054 319 HG22 THR 44 HG22 THR 44 9.162 2.828 2.059 320 HG23 THR 44 HG23 THR 44 8.663 3.567 3.580 321 H ASN 45 HN ASN 45 7.870 3.245 -0.403 322 HA ASN 45 HA ASN 45 9.391 0.885 -1.078 323 HB2 ASN 45 HB2 ASN 45 7.290 0.786 -2.492 324 HB3 ASN 45 HB1 ASN 45 7.803 2.294 -3.238 325 HD21 ASN 45 HD21 ASN 45 8.713 -1.060 -2.718 326 HD22 ASN 45 HD22 ASN 45 9.661 -1.218 -4.157 327 H ARG 46 HN ARG 46 10.606 1.966 -3.421 328 HA ARG 46 HA ARG 46 11.825 4.371 -2.245 329 HB2 ARG 46 HB2 ARG 46 13.054 2.546 -4.317 330 HB3 ARG 46 HB1 ARG 46 13.840 3.875 -3.483 331 HG2 ARG 46 HG2 ARG 46 14.648 2.242 -2.176 332 HG3 ARG 46 HG1 ARG 46 13.077 2.373 -1.379 333 HD2 ARG 46 HD2 ARG 46 12.202 0.595 -2.773 334 HD3 ARG 46 HD1 ARG 46 13.737 0.478 -3.624 335 HE ARG 46 HE ARG 46 13.818 0.057 -0.747 336 HH11 ARG 46 HH11 ARG 46 13.736 -1.327 -3.956 337 HH12 ARG 46 HH12 ARG 46 14.274 -2.894 -3.440 338 HH21 ARG 46 HH21 ARG 46 14.543 -2.010 -0.053 339 HH22 ARG 46 HH22 ARG 46 14.761 -3.274 -1.222 340 H CYS 47 HN CYS 47 12.547 6.019 -3.778 341 HA CYS 47 HA CYS 47 11.202 6.022 -6.351 342 HB2 CYS 47 HB2 CYS 47 10.104 8.159 -5.981 343 HB3 CYS 47 HB1 CYS 47 9.557 6.997 -4.781 Start of MODEL 18 1 H1 LYS 1 HT1 LYS 1 12.400 7.769 5.680 2 H2 LYS 1 HT2 LYS 1 13.506 6.504 5.850 3 H3 LYS 1 HT3 LYS 1 12.223 6.658 6.941 4 HA LYS 1 HA LYS 1 11.847 4.890 5.334 5 HB2 LYS 1 HB2 LYS 1 10.068 7.291 5.435 6 HB3 LYS 1 HB1 LYS 1 9.649 5.950 4.381 7 HG2 LYS 1 HG2 LYS 1 9.698 4.445 6.334 8 HG3 LYS 1 HG1 LYS 1 10.014 5.843 7.365 9 HD2 LYS 1 HD2 LYS 1 7.916 6.835 6.768 10 HD3 LYS 1 HD1 LYS 1 7.618 5.594 5.549 11 HE2 LYS 1 HE2 LYS 1 6.299 5.121 7.506 12 HE3 LYS 1 HE1 LYS 1 7.562 3.902 7.352 13 HZ1 LYS 1 HZ1 LYS 1 7.320 4.649 9.629 14 HZ2 LYS 1 HZ2 LYS 1 7.637 6.247 9.171 15 HZ3 LYS 1 HZ3 LYS 1 8.845 5.072 9.030 16 H THR 2 HN THR 2 11.013 4.472 3.162 17 HA THR 2 HA THR 2 12.270 6.127 1.108 18 HB THR 2 HB THR 2 11.979 4.262 -0.415 19 HG1 THR 2 HG1 THR 2 10.217 3.191 0.212 20 HG21 THR 2 HG21 THR 2 13.204 3.390 2.204 21 HG22 THR 2 HG22 THR 2 14.017 4.303 0.932 22 HG23 THR 2 HG23 THR 2 13.498 2.646 0.632 23 H CYS 3 HN CYS 3 10.766 5.788 -1.027 24 HA CYS 3 HA CYS 3 8.747 7.656 -0.749 25 HB2 CYS 3 HB2 CYS 3 8.722 5.463 -2.825 26 HB3 CYS 3 HB1 CYS 3 8.086 7.099 -2.976 27 H GLU 4 HN GLU 4 6.938 7.536 0.390 28 HA GLU 4 HA GLU 4 5.498 4.977 0.519 29 HB2 GLU 4 HB2 GLU 4 6.677 5.199 2.610 30 HB3 GLU 4 HB1 GLU 4 6.155 6.863 2.789 31 HG2 GLU 4 HG2 GLU 4 3.786 5.959 2.875 32 HG3 GLU 4 HG1 GLU 4 4.511 4.357 3.065 33 H ASN 5 HN ASN 5 3.306 5.122 0.383 34 HA ASN 5 HA ASN 5 2.100 7.755 0.768 35 HB2 ASN 5 HB2 ASN 5 2.493 7.100 -1.750 36 HB3 ASN 5 HB1 ASN 5 1.076 6.102 -1.468 37 HD21 ASN 5 HD21 ASN 5 -0.884 7.107 -0.820 38 HD22 ASN 5 HD22 ASN 5 -1.170 8.757 -1.234 39 H LEU 6 HN LEU 6 -0.039 7.704 1.223 40 HA LEU 6 HA LEU 6 -0.982 5.205 2.410 41 HB2 LEU 6 HB2 LEU 6 -0.990 7.666 3.488 42 HB3 LEU 6 HB1 LEU 6 -2.563 7.705 2.704 43 HG LEU 6 HG LEU 6 -1.603 5.801 4.875 44 HD11 LEU 6 HD11 LEU 6 -3.546 6.676 6.070 45 HD12 LEU 6 HD12 LEU 6 -3.922 7.730 4.709 46 HD13 LEU 6 HD13 LEU 6 -2.433 7.967 5.622 47 HD21 LEU 6 HD21 LEU 6 -4.017 5.590 3.104 48 HD22 LEU 6 HD22 LEU 6 -3.892 4.818 4.686 49 HD23 LEU 6 HD23 LEU 6 -2.753 4.385 3.409 50 H SER 7 HN SER 7 -2.234 3.996 1.211 51 HA SER 7 HA SER 7 -3.343 5.099 -1.220 52 HB2 SER 7 HB2 SER 7 -3.293 2.242 -0.238 53 HB3 SER 7 HB1 SER 7 -3.620 2.794 -1.877 54 HG SER 7 HG SER 7 -1.259 3.739 -0.883 55 H GLY 8 HN GLY 8 -5.455 5.245 -1.715 56 HA2 GLY 8 HA2 GLY 8 -7.666 4.081 -1.327 57 HA3 GLY 8 HA1 GLY 8 -7.397 4.473 0.369 58 H THR 9 HN THR 9 -8.804 6.010 0.893 59 HA THR 9 HA THR 9 -9.858 7.918 -0.884 60 HB THR 9 HB THR 9 -10.995 7.299 1.214 61 HG1 THR 9 HG1 THR 9 -11.674 9.244 0.427 62 HG21 THR 9 HG21 THR 9 -10.234 8.273 3.347 63 HG22 THR 9 HG22 THR 9 -8.771 8.851 2.543 64 HG23 THR 9 HG23 THR 9 -9.073 7.118 2.691 65 H PHE 10 HN PHE 10 -6.887 7.811 0.866 66 HA PHE 10 HA PHE 10 -6.459 10.676 0.671 67 HB2 PHE 10 HB2 PHE 10 -4.642 8.496 1.734 68 HB3 PHE 10 HB1 PHE 10 -4.347 10.225 1.836 69 HD1 PHE 10 HD1 PHE 10 -5.962 11.625 3.185 70 HD2 PHE 10 HD2 PHE 10 -5.781 7.388 3.386 71 HE1 PHE 10 HE1 PHE 10 -7.096 11.694 5.372 72 HE2 PHE 10 HE2 PHE 10 -6.919 7.438 5.576 73 HZ PHE 10 HZ PHE 10 -7.576 9.594 6.569 74 H LYS 11 HN LYS 11 -5.285 11.520 -0.991 75 HA LYS 11 HA LYS 11 -3.698 11.650 -2.623 76 HB2 LYS 11 HB2 LYS 11 -2.751 9.303 -1.031 77 HB3 LYS 11 HB1 LYS 11 -1.854 9.895 -2.400 78 HG2 LYS 11 HG2 LYS 11 -0.834 10.861 -0.520 79 HG3 LYS 11 HG1 LYS 11 -1.814 12.151 -1.205 80 HD2 LYS 11 HD2 LYS 11 -3.592 11.526 0.439 81 HD3 LYS 11 HD1 LYS 11 -2.439 10.428 1.211 82 HE2 LYS 11 HE2 LYS 11 -1.893 13.367 0.789 83 HE3 LYS 11 HE1 LYS 11 -2.693 12.747 2.229 84 HZ1 LYS 11 HZ1 LYS 11 -0.750 11.401 2.693 85 HZ2 LYS 11 HZ2 LYS 11 -0.321 13.031 2.574 86 HZ3 LYS 11 HZ3 LYS 11 0.020 11.975 1.301 87 H GLY 12 HN GLY 12 -2.804 8.494 -2.932 88 HA2 GLY 12 HA2 GLY 12 -4.529 8.109 -5.285 89 HA3 GLY 12 HA1 GLY 12 -2.918 7.433 -5.112 90 HA PRO 13 HA PRO 13 -6.338 4.631 -3.257 91 HB2 PRO 13 HB2 PRO 13 -7.670 3.574 -5.291 92 HB3 PRO 13 HB1 PRO 13 -8.065 5.192 -4.701 93 HG2 PRO 13 HG2 PRO 13 -6.384 4.414 -7.062 94 HG3 PRO 13 HG1 PRO 13 -7.682 5.620 -6.973 95 HD2 PRO 13 HD2 PRO 13 -5.032 6.247 -6.790 96 HD3 PRO 13 HD1 PRO 13 -6.317 7.194 -6.012 97 H CYS 14 HN CYS 14 -6.794 2.158 -3.963 98 HA CYS 14 HA CYS 14 -4.620 0.934 -5.385 99 HB2 CYS 14 HB2 CYS 14 -3.520 1.341 -3.252 100 HB3 CYS 14 HB1 CYS 14 -4.830 0.541 -2.392 101 H ILE 15 HN ILE 15 -6.116 -0.850 -2.766 102 HA ILE 15 HA ILE 15 -8.053 -2.032 -4.621 103 HB ILE 15 HB ILE 15 -7.389 -4.312 -3.829 104 HG12 ILE 15 HG12 ILE 15 -5.020 -2.747 -2.779 105 HG13 ILE 15 HG11 ILE 15 -6.131 -3.758 -1.861 106 HG21 ILE 15 HG21 ILE 15 -5.512 -4.527 -5.394 107 HG22 ILE 15 HG22 ILE 15 -5.343 -2.771 -5.421 108 HG23 ILE 15 HG23 ILE 15 -6.807 -3.527 -6.053 109 HD11 ILE 15 HD11 ILE 15 -4.197 -4.733 -3.938 110 HD12 ILE 15 HD12 ILE 15 -5.283 -5.731 -2.975 111 HD13 ILE 15 HD13 ILE 15 -3.984 -4.837 -2.192 112 HA PRO 16 HA PRO 16 -10.457 -1.675 -0.996 113 HB2 PRO 16 HB2 PRO 16 -12.783 -2.612 -1.932 114 HB3 PRO 16 HB1 PRO 16 -12.055 -1.128 -2.556 115 HG2 PRO 16 HG2 PRO 16 -12.170 -3.837 -3.770 116 HG3 PRO 16 HG1 PRO 16 -12.196 -2.252 -4.556 117 HD2 PRO 16 HD2 PRO 16 -9.971 -3.959 -4.277 118 HD3 PRO 16 HD1 PRO 16 -9.943 -2.268 -4.803 119 H ASP 17 HN ASP 17 -9.086 -4.515 -1.562 120 HA ASP 17 HA ASP 17 -10.996 -6.287 -0.322 121 HB2 ASP 17 HB2 ASP 17 -9.496 -7.122 -2.066 122 HB3 ASP 17 HB1 ASP 17 -8.101 -6.738 -1.066 123 H GLY 18 HN GLY 18 -8.433 -4.254 0.791 124 HA2 GLY 18 HA2 GLY 18 -8.133 -3.687 3.065 125 HA3 GLY 18 HA1 GLY 18 -8.949 -5.167 3.527 126 H ASN 19 HN ASN 19 -7.013 -6.162 1.300 127 HA ASN 19 HA ASN 19 -5.091 -7.310 3.065 128 HB2 ASN 19 HB2 ASN 19 -4.424 -8.562 1.071 129 HB3 ASN 19 HB1 ASN 19 -6.164 -8.574 1.281 130 HD21 ASN 19 HD21 ASN 19 -6.287 -5.742 0.265 131 HD22 ASN 19 HD22 ASN 19 -6.187 -5.899 -1.442 132 H CYS 20 HN CYS 20 -4.645 -4.555 3.018 133 HA CYS 20 HA CYS 20 -2.977 -3.602 1.067 134 HB2 CYS 20 HB2 CYS 20 -2.233 -1.921 2.660 135 HB3 CYS 20 HB1 CYS 20 -3.971 -2.108 2.681 136 H ASN 21 HN ASN 21 -2.106 -5.320 4.029 137 HA ASN 21 HA ASN 21 0.667 -4.945 3.647 138 HB2 ASN 21 HB2 ASN 21 -0.911 -6.769 5.415 139 HB3 ASN 21 HB1 ASN 21 0.841 -6.881 5.336 140 HD21 ASN 21 HD21 ASN 21 1.105 -3.999 4.861 141 HD22 ASN 21 HD22 ASN 21 0.797 -3.262 6.394 142 H LYS 22 HN LYS 22 -1.296 -7.892 3.251 143 HA LYS 22 HA LYS 22 0.891 -9.314 2.215 144 HB2 LYS 22 HB2 LYS 22 -0.953 -10.920 1.369 145 HB3 LYS 22 HB1 LYS 22 -0.717 -10.717 3.095 146 HG2 LYS 22 HG2 LYS 22 -2.627 -9.245 3.219 147 HG3 LYS 22 HG1 LYS 22 -2.846 -9.332 1.470 148 HD2 LYS 22 HD2 LYS 22 -3.255 -11.728 1.628 149 HD3 LYS 22 HD1 LYS 22 -2.991 -11.676 3.369 150 HE2 LYS 22 HE2 LYS 22 -4.929 -10.220 3.628 151 HE3 LYS 22 HE1 LYS 22 -5.175 -10.223 1.885 152 HZ1 LYS 22 HZ1 LYS 22 -6.655 -11.774 2.978 153 HZ2 LYS 22 HZ2 LYS 22 -5.344 -12.596 3.655 154 HZ3 LYS 22 HZ3 LYS 22 -5.571 -12.605 1.983 155 H HIS 23 HN HIS 23 -1.376 -7.164 0.630 156 HA HIS 23 HA HIS 23 -0.895 -8.106 -1.989 157 HB2 HIS 23 HB2 HIS 23 -2.681 -6.460 -1.506 158 HB3 HIS 23 HB1 HIS 23 -1.443 -5.241 -1.198 159 HD1 HIS 23 HD1 HIS 23 -0.790 -3.870 -3.188 160 HD2 HIS 23 HD2 HIS 23 -2.446 -7.522 -4.283 161 HE1 HIS 23 HE1 HIS 23 -0.954 -3.815 -5.689 162 HE2 HIS 23 HE2 HIS 23 -1.780 -6.097 -6.335 163 H CYS 24 HN CYS 24 0.608 -5.330 -0.298 164 HA CYS 24 HA CYS 24 2.559 -4.916 -2.291 165 HB2 CYS 24 HB2 CYS 24 2.349 -4.163 0.599 166 HB3 CYS 24 HB1 CYS 24 3.846 -3.883 -0.271 167 H ARG 25 HN ARG 25 2.590 -6.799 0.710 168 HA ARG 25 HA ARG 25 5.442 -7.140 0.560 169 HB2 ARG 25 HB2 ARG 25 3.446 -8.306 2.495 170 HB3 ARG 25 HB1 ARG 25 5.189 -8.281 2.697 171 HG2 ARG 25 HG2 ARG 25 3.442 -5.850 2.488 172 HG3 ARG 25 HG1 ARG 25 4.063 -6.531 3.995 173 HD2 ARG 25 HD2 ARG 25 6.182 -6.155 2.087 174 HD3 ARG 25 HD1 ARG 25 5.317 -4.633 2.336 175 HE ARG 25 HE ARG 25 5.792 -4.866 4.718 176 HH11 ARG 25 HH11 ARG 25 7.670 -6.939 2.601 177 HH12 ARG 25 HH12 ARG 25 8.979 -7.095 3.722 178 HH21 ARG 25 HH21 ARG 25 7.512 -5.098 6.185 179 HH22 ARG 25 HH22 ARG 25 8.886 -6.064 5.755 180 H ASN 26 HN ASN 26 2.640 -9.177 -0.060 181 HA ASN 26 HA ASN 26 4.319 -11.545 -0.254 182 HB2 ASN 26 HB2 ASN 26 1.352 -11.102 -0.481 183 HB3 ASN 26 HB1 ASN 26 2.085 -12.614 -0.984 184 HD21 ASN 26 HD21 ASN 26 3.436 -10.860 1.651 185 HD22 ASN 26 HD22 ASN 26 2.895 -11.914 2.907 186 H ASN 27 HN ASN 27 2.665 -9.286 -2.346 187 HA ASN 27 HA ASN 27 3.159 -10.923 -4.676 188 HB2 ASN 27 HB2 ASN 27 1.955 -8.165 -4.430 189 HB3 ASN 27 HB1 ASN 27 2.086 -9.071 -5.932 190 HD21 ASN 27 HD21 ASN 27 0.473 -8.778 -2.893 191 HD22 ASN 27 HD22 ASN 27 -0.818 -9.877 -3.238 192 H GLU 28 HN GLU 28 4.219 -7.718 -3.499 193 HA GLU 28 HA GLU 28 6.260 -7.778 -5.619 194 HB2 GLU 28 HB2 GLU 28 4.480 -5.986 -5.679 195 HB3 GLU 28 HB1 GLU 28 5.192 -5.328 -4.213 196 HG2 GLU 28 HG2 GLU 28 5.935 -4.151 -6.217 197 HG3 GLU 28 HG1 GLU 28 7.273 -4.921 -5.367 198 H HIS 29 HN HIS 29 5.755 -7.539 -2.197 199 HA HIS 29 HA HIS 29 7.174 -7.766 -0.463 200 HB2 HIS 29 HB2 HIS 29 8.444 -9.316 -2.033 201 HB3 HIS 29 HB1 HIS 29 9.462 -7.943 -2.442 202 HD1 HIS 29 HD1 HIS 29 10.734 -6.852 -0.247 203 HD2 HIS 29 HD2 HIS 29 9.338 -10.754 0.072 204 HE1 HIS 29 HE1 HIS 29 11.964 -7.853 1.702 205 HE2 HIS 29 HE2 HIS 29 11.228 -10.261 1.765 206 H LEU 30 HN LEU 30 6.328 -5.312 -0.871 207 HA LEU 30 HA LEU 30 8.547 -3.497 -1.194 208 HB2 LEU 30 HB2 LEU 30 5.803 -2.786 -0.196 209 HB3 LEU 30 HB1 LEU 30 7.020 -1.701 -0.823 210 HG LEU 30 HG LEU 30 5.285 -3.635 -2.335 211 HD11 LEU 30 HD11 LEU 30 4.711 -1.666 -3.620 212 HD12 LEU 30 HD12 LEU 30 5.869 -0.704 -2.701 213 HD13 LEU 30 HD13 LEU 30 4.441 -1.358 -1.899 214 HD21 LEU 30 HD21 LEU 30 7.747 -2.236 -3.370 215 HD22 LEU 30 HD22 LEU 30 6.580 -3.131 -4.341 216 HD23 LEU 30 HD23 LEU 30 7.559 -3.976 -3.143 217 H LEU 31 HN LEU 31 8.071 -1.561 0.773 218 HA LEU 31 HA LEU 31 9.569 -2.982 2.833 219 HB2 LEU 31 HB2 LEU 31 9.145 -0.016 2.640 220 HB3 LEU 31 HB1 LEU 31 10.425 -0.873 3.481 221 HG LEU 31 HG LEU 31 10.045 -0.612 0.512 222 HD11 LEU 31 HD11 LEU 31 11.073 1.314 1.562 223 HD12 LEU 31 HD12 LEU 31 12.274 0.429 0.622 224 HD13 LEU 31 HD13 LEU 31 12.241 0.275 2.377 225 HD21 LEU 31 HD21 LEU 31 12.111 -1.948 0.301 226 HD22 LEU 31 HD22 LEU 31 10.741 -2.863 0.934 227 HD23 LEU 31 HD23 LEU 31 12.015 -2.313 2.025 228 H SER 32 HN SER 32 6.865 -0.623 2.805 229 HA SER 32 HA SER 32 6.247 -1.479 5.556 230 HB2 SER 32 HB2 SER 32 5.421 0.830 3.848 231 HB3 SER 32 HB1 SER 32 4.444 0.366 5.222 232 HG SER 32 HG SER 32 6.364 1.977 5.360 233 H GLY 33 HN GLY 33 4.976 -1.411 2.379 234 HA2 GLY 33 HA2 GLY 33 3.558 -2.788 1.279 235 HA3 GLY 33 HA1 GLY 33 3.750 -3.926 2.591 236 H ARG 34 HN ARG 34 2.291 -0.686 2.831 237 HA ARG 34 HA ARG 34 -0.195 -2.045 3.562 238 HB2 ARG 34 HB2 ARG 34 1.308 0.257 4.403 239 HB3 ARG 34 HB1 ARG 34 -0.343 0.747 4.077 240 HG2 ARG 34 HG2 ARG 34 -1.086 -1.034 5.655 241 HG3 ARG 34 HG1 ARG 34 0.612 -1.394 5.981 242 HD2 ARG 34 HD2 ARG 34 0.961 0.869 6.806 243 HD3 ARG 34 HD1 ARG 34 -0.715 1.303 6.430 244 HE ARG 34 HE ARG 34 -0.489 -0.964 8.187 245 HH11 ARG 34 HH11 ARG 34 -0.482 2.538 8.089 246 HH12 ARG 34 HH12 ARG 34 -0.987 2.709 9.736 247 HH21 ARG 34 HH21 ARG 34 -1.136 -0.740 10.356 248 HH22 ARG 34 HH22 ARG 34 -1.344 0.844 11.031 249 H CYS 35 HN CYS 35 -0.475 -2.407 1.019 250 HA CYS 35 HA CYS 35 -1.628 0.009 -0.181 251 HB2 CYS 35 HB2 CYS 35 0.072 -1.520 -1.401 252 HB3 CYS 35 HB1 CYS 35 -1.325 -2.548 -1.697 253 H ARG 36 HN ARG 36 -3.763 0.349 0.310 254 HA ARG 36 HA ARG 36 -5.547 -1.474 -1.001 255 HB2 ARG 36 HB2 ARG 36 -7.183 -1.637 0.861 256 HB3 ARG 36 HB1 ARG 36 -5.723 -2.554 1.105 257 HG2 ARG 36 HG2 ARG 36 -4.939 -0.595 2.532 258 HG3 ARG 36 HG1 ARG 36 -6.614 -0.058 2.475 259 HD2 ARG 36 HD2 ARG 36 -7.337 -2.222 3.334 260 HD3 ARG 36 HD1 ARG 36 -5.674 -2.770 3.440 261 HE ARG 36 HE ARG 36 -6.033 -0.372 4.914 262 HH11 ARG 36 HH11 ARG 36 -6.691 -3.820 5.094 263 HH12 ARG 36 HH12 ARG 36 -6.878 -3.808 6.817 264 HH21 ARG 36 HH21 ARG 36 -6.284 -0.386 7.185 265 HH22 ARG 36 HH22 ARG 36 -6.645 -1.879 7.996 266 H ASP 37 HN ASP 37 -7.955 -0.569 -0.598 267 HA ASP 37 HA ASP 37 -7.721 2.262 -1.393 268 HB2 ASP 37 HB2 ASP 37 -8.051 0.939 -3.377 269 HB3 ASP 37 HB1 ASP 37 -9.378 0.059 -2.629 270 H ASP 38 HN ASP 38 -10.387 -0.021 -0.843 271 HA ASP 38 HA ASP 38 -12.208 1.761 0.235 272 HB2 ASP 38 HB2 ASP 38 -12.809 -0.516 -0.461 273 HB3 ASP 38 HB1 ASP 38 -11.879 -1.183 0.877 274 H PHE 39 HN PHE 39 -9.606 -0.002 1.734 275 HA PHE 39 HA PHE 39 -10.037 1.518 4.217 276 HB2 PHE 39 HB2 PHE 39 -8.266 -0.890 3.946 277 HB3 PHE 39 HB1 PHE 39 -8.943 -0.203 5.403 278 HD1 PHE 39 HD1 PHE 39 -9.556 -2.385 2.523 279 HD2 PHE 39 HD2 PHE 39 -11.221 -0.670 6.062 280 HE1 PHE 39 HE1 PHE 39 -11.412 -3.997 2.443 281 HE2 PHE 39 HE2 PHE 39 -13.069 -2.287 5.978 282 HZ PHE 39 HZ PHE 39 -13.164 -3.952 4.168 283 H ARG 40 HN ARG 40 -7.744 2.055 5.252 284 HA ARG 40 HA ARG 40 -6.179 3.095 2.984 285 HB2 ARG 40 HB2 ARG 40 -6.719 4.468 5.624 286 HB3 ARG 40 HB1 ARG 40 -5.726 5.106 4.327 287 HG2 ARG 40 HG2 ARG 40 -7.712 6.235 4.050 288 HG3 ARG 40 HG1 ARG 40 -7.859 4.913 2.894 289 HD2 ARG 40 HD2 ARG 40 -9.931 5.236 4.140 290 HD3 ARG 40 HD1 ARG 40 -9.220 3.661 4.486 291 HE ARG 40 HE ARG 40 -8.327 4.783 6.571 292 HH11 ARG 40 HH11 ARG 40 -11.297 5.789 5.011 293 HH12 ARG 40 HH12 ARG 40 -11.992 6.427 6.464 294 HH21 ARG 40 HH21 ARG 40 -9.263 5.605 8.501 295 HH22 ARG 40 HH22 ARG 40 -10.847 6.314 8.443 296 H CYS 41 HN CYS 41 -4.186 2.434 2.915 297 HA CYS 41 HA CYS 41 -2.729 1.874 5.395 298 HB2 CYS 41 HB2 CYS 41 -3.375 0.065 3.151 299 HB3 CYS 41 HB1 CYS 41 -1.762 -0.079 3.789 300 H TRP 42 HN TRP 42 -0.461 2.432 5.353 301 HA TRP 42 HA TRP 42 0.514 4.042 3.112 302 HB2 TRP 42 HB2 TRP 42 1.764 3.354 5.782 303 HB3 TRP 42 HB1 TRP 42 2.508 4.396 4.586 304 HD1 TRP 42 HD1 TRP 42 -0.097 4.379 7.337 305 HE1 TRP 42 HE1 TRP 42 -0.860 6.800 7.777 306 HE3 TRP 42 HE3 TRP 42 2.145 6.678 3.363 307 HZ2 TRP 42 HZ2 TRP 42 -0.552 9.342 6.588 308 HZ3 TRP 42 HZ3 TRP 42 1.865 9.091 3.082 309 HH2 TRP 42 HH2 TRP 42 0.535 10.403 4.652 310 H CYS 43 HN CYS 43 1.369 2.739 1.364 311 HA CYS 43 HA CYS 43 3.188 0.597 2.239 312 HB2 CYS 43 HB2 CYS 43 1.421 0.027 0.517 313 HB3 CYS 43 HB1 CYS 43 2.330 1.019 -0.628 314 H THR 44 HN THR 44 5.243 0.849 2.227 315 HA THR 44 HA THR 44 6.432 3.211 0.970 316 HB THR 44 HB THR 44 7.673 1.415 3.058 317 HG1 THR 44 HG1 THR 44 6.402 3.883 3.636 318 HG21 THR 44 HG21 THR 44 8.274 4.210 2.097 319 HG22 THR 44 HG22 THR 44 9.306 2.787 1.995 320 HG23 THR 44 HG23 THR 44 8.960 3.513 3.564 321 H ASN 45 HN ASN 45 7.997 3.031 -0.539 322 HA ASN 45 HA ASN 45 9.526 0.612 -0.905 323 HB2 ASN 45 HB2 ASN 45 7.518 0.055 -2.166 324 HB3 ASN 45 HB1 ASN 45 7.616 1.571 -3.052 325 HD21 ASN 45 HD21 ASN 45 9.152 -1.526 -2.501 326 HD22 ASN 45 HD22 ASN 45 9.987 -1.587 -4.015 327 H ARG 46 HN ARG 46 11.142 0.939 -2.708 328 HA ARG 46 HA ARG 46 12.258 3.611 -2.459 329 HB2 ARG 46 HB2 ARG 46 13.418 1.287 -3.991 330 HB3 ARG 46 HB1 ARG 46 14.269 2.659 -3.296 331 HG2 ARG 46 HG2 ARG 46 14.466 1.674 -1.299 332 HG3 ARG 46 HG1 ARG 46 12.810 1.065 -1.332 333 HD2 ARG 46 HD2 ARG 46 13.484 -0.729 -2.830 334 HD3 ARG 46 HD1 ARG 46 15.139 -0.120 -2.836 335 HE ARG 46 HE ARG 46 14.700 -0.557 -0.219 336 HH11 ARG 46 HH11 ARG 46 14.124 -2.538 -3.042 337 HH12 ARG 46 HH12 ARG 46 14.419 -4.031 -2.212 338 HH21 ARG 46 HH21 ARG 46 15.092 -2.519 0.879 339 HH22 ARG 46 HH22 ARG 46 14.987 -4.022 0.018 340 H CYS 47 HN CYS 47 11.830 5.149 -3.973 341 HA CYS 47 HA CYS 47 11.258 4.206 -6.699 342 HB2 CYS 47 HB2 CYS 47 9.661 5.938 -7.024 343 HB3 CYS 47 HB1 CYS 47 9.269 5.179 -5.489 Start of MODEL 19 1 H1 LYS 1 HT1 LYS 1 11.881 6.313 8.075 2 H2 LYS 1 HT2 LYS 1 12.068 7.500 6.885 3 H3 LYS 1 HT3 LYS 1 13.235 6.291 7.066 4 HA LYS 1 HA LYS 1 11.653 4.608 6.406 5 HB2 LYS 1 HB2 LYS 1 9.841 7.000 6.077 6 HB3 LYS 1 HB1 LYS 1 9.540 5.460 5.292 7 HG2 LYS 1 HG2 LYS 1 9.390 4.390 7.500 8 HG3 LYS 1 HG1 LYS 1 9.615 5.970 8.256 9 HD2 LYS 1 HD2 LYS 1 7.587 6.797 7.314 10 HD3 LYS 1 HD1 LYS 1 7.413 5.379 6.280 11 HE2 LYS 1 HE2 LYS 1 7.119 3.985 8.278 12 HE3 LYS 1 HE1 LYS 1 7.264 5.419 9.294 13 HZ1 LYS 1 HZ1 LYS 1 5.285 6.313 8.266 14 HZ2 LYS 1 HZ2 LYS 1 4.954 4.788 8.915 15 HZ3 LYS 1 HZ3 LYS 1 5.163 4.969 7.240 16 H THR 2 HN THR 2 10.874 4.317 4.170 17 HA THR 2 HA THR 2 12.463 5.848 2.258 18 HB THR 2 HB THR 2 11.550 3.860 0.797 19 HG1 THR 2 HG1 THR 2 11.884 2.503 3.237 20 HG21 THR 2 HG21 THR 2 13.891 4.321 1.120 21 HG22 THR 2 HG22 THR 2 13.606 2.605 1.408 22 HG23 THR 2 HG23 THR 2 13.814 3.705 2.775 23 H CYS 3 HN CYS 3 11.158 5.782 0.011 24 HA CYS 3 HA CYS 3 9.202 7.751 0.306 25 HB2 CYS 3 HB2 CYS 3 9.436 5.881 -2.056 26 HB3 CYS 3 HB1 CYS 3 8.832 7.536 -2.050 27 H GLU 4 HN GLU 4 7.280 7.544 1.179 28 HA GLU 4 HA GLU 4 5.816 5.020 0.849 29 HB2 GLU 4 HB2 GLU 4 6.785 5.017 3.075 30 HB3 GLU 4 HB1 GLU 4 6.182 6.636 3.379 31 HG2 GLU 4 HG2 GLU 4 3.851 5.618 3.004 32 HG3 GLU 4 HG1 GLU 4 4.658 4.060 3.233 33 H ASN 5 HN ASN 5 3.662 5.212 0.522 34 HA ASN 5 HA ASN 5 2.379 7.729 1.175 35 HB2 ASN 5 HB2 ASN 5 1.394 8.093 -0.950 36 HB3 ASN 5 HB1 ASN 5 3.109 7.871 -1.217 37 HD21 ASN 5 HD21 ASN 5 -0.045 6.523 -1.608 38 HD22 ASN 5 HD22 ASN 5 0.387 5.311 -2.766 39 H LEU 6 HN LEU 6 0.269 7.569 1.561 40 HA LEU 6 HA LEU 6 -0.781 5.011 2.231 41 HB2 LEU 6 HB2 LEU 6 -1.321 7.528 3.051 42 HB3 LEU 6 HB1 LEU 6 -2.639 7.279 1.922 43 HG LEU 6 HG LEU 6 -2.021 5.578 4.358 44 HD11 LEU 6 HD11 LEU 6 -4.069 6.476 5.226 45 HD12 LEU 6 HD12 LEU 6 -4.385 7.346 3.727 46 HD13 LEU 6 HD13 LEU 6 -3.031 7.819 4.752 47 HD21 LEU 6 HD21 LEU 6 -3.887 5.211 2.056 48 HD22 LEU 6 HD22 LEU 6 -4.366 4.682 3.667 49 HD23 LEU 6 HD23 LEU 6 -2.899 4.022 2.931 50 H SER 7 HN SER 7 -1.542 3.616 0.807 51 HA SER 7 HA SER 7 -2.146 4.613 -1.873 52 HB2 SER 7 HB2 SER 7 -1.619 1.773 -0.979 53 HB3 SER 7 HB1 SER 7 -1.605 2.399 -2.623 54 HG SER 7 HG SER 7 0.079 3.720 -0.898 55 H GLY 8 HN GLY 8 -4.275 5.245 -1.651 56 HA2 GLY 8 HA2 GLY 8 -6.287 3.325 -1.932 57 HA3 GLY 8 HA1 GLY 8 -6.255 3.820 -0.244 58 H THR 9 HN THR 9 -7.539 5.468 0.259 59 HA THR 9 HA THR 9 -9.062 6.783 -1.689 60 HB THR 9 HB THR 9 -9.956 6.552 0.527 61 HG1 THR 9 HG1 THR 9 -10.998 8.340 0.210 62 HG21 THR 9 HG21 THR 9 -9.105 7.791 2.454 63 HG22 THR 9 HG22 THR 9 -7.771 8.406 1.478 64 HG23 THR 9 HG23 THR 9 -7.885 6.681 1.827 65 H PHE 10 HN PHE 10 -6.427 8.099 0.338 66 HA PHE 10 HA PHE 10 -6.131 10.306 -1.543 67 HB2 PHE 10 HB2 PHE 10 -6.075 10.502 1.063 68 HB3 PHE 10 HB1 PHE 10 -4.426 9.909 0.898 69 HD1 PHE 10 HD1 PHE 10 -6.650 12.473 -0.646 70 HD2 PHE 10 HD2 PHE 10 -2.766 11.486 0.777 71 HE1 PHE 10 HE1 PHE 10 -5.896 14.762 -1.137 72 HE2 PHE 10 HE2 PHE 10 -2.003 13.776 0.289 73 HZ PHE 10 HZ PHE 10 -3.568 15.415 -0.670 74 H LYS 11 HN LYS 11 -4.167 10.657 -2.680 75 HA LYS 11 HA LYS 11 -2.087 10.269 -3.527 76 HB2 LYS 11 HB2 LYS 11 -1.936 8.259 -1.283 77 HB3 LYS 11 HB1 LYS 11 -0.600 8.602 -2.368 78 HG2 LYS 11 HG2 LYS 11 -0.137 10.593 -1.393 79 HG3 LYS 11 HG1 LYS 11 -1.825 10.911 -0.982 80 HD2 LYS 11 HD2 LYS 11 -1.733 9.629 0.940 81 HD3 LYS 11 HD1 LYS 11 -0.361 8.686 0.368 82 HE2 LYS 11 HE2 LYS 11 0.368 10.150 2.134 83 HE3 LYS 11 HE1 LYS 11 1.064 10.700 0.615 84 HZ1 LYS 11 HZ1 LYS 11 -1.332 11.869 1.920 85 HZ2 LYS 11 HZ2 LYS 11 -0.604 12.420 0.494 86 HZ3 LYS 11 HZ3 LYS 11 0.223 12.529 1.962 87 H GLY 12 HN GLY 12 -4.539 8.721 -4.311 88 HA2 GLY 12 HA2 GLY 12 -4.771 7.422 -6.255 89 HA3 GLY 12 HA1 GLY 12 -3.135 6.833 -6.049 90 HA PRO 13 HA PRO 13 -6.535 4.226 -3.882 91 HB2 PRO 13 HB2 PRO 13 -7.691 2.996 -6.202 92 HB3 PRO 13 HB1 PRO 13 -8.442 4.114 -5.063 93 HG2 PRO 13 HG2 PRO 13 -7.914 4.730 -7.685 94 HG3 PRO 13 HG1 PRO 13 -8.036 5.933 -6.389 95 HD2 PRO 13 HD2 PRO 13 -5.583 4.703 -7.593 96 HD3 PRO 13 HD1 PRO 13 -5.909 6.398 -7.173 97 H CYS 14 HN CYS 14 -7.172 1.742 -4.260 98 HA CYS 14 HA CYS 14 -5.030 0.199 -5.397 99 HB2 CYS 14 HB2 CYS 14 -4.040 0.894 -3.247 100 HB3 CYS 14 HB1 CYS 14 -5.418 0.201 -2.395 101 H ILE 15 HN ILE 15 -6.849 -0.888 -2.586 102 HA ILE 15 HA ILE 15 -8.727 -2.389 -4.223 103 HB ILE 15 HB ILE 15 -8.080 -4.550 -3.171 104 HG12 ILE 15 HG12 ILE 15 -5.709 -2.915 -2.243 105 HG13 ILE 15 HG11 ILE 15 -6.866 -3.794 -1.247 106 HG21 ILE 15 HG21 ILE 15 -7.411 -4.043 -5.454 107 HG22 ILE 15 HG22 ILE 15 -6.176 -4.999 -4.636 108 HG23 ILE 15 HG23 ILE 15 -5.942 -3.266 -4.865 109 HD11 ILE 15 HD11 ILE 15 -4.860 -5.015 -3.121 110 HD12 ILE 15 HD12 ILE 15 -6.031 -5.901 -2.144 111 HD13 ILE 15 HD13 ILE 15 -4.760 -4.964 -1.361 112 HA PRO 16 HA PRO 16 -10.937 -1.735 -0.428 113 HB2 PRO 16 HB2 PRO 16 -13.332 -2.632 -1.229 114 HB3 PRO 16 HB1 PRO 16 -12.616 -1.165 -1.900 115 HG2 PRO 16 HG2 PRO 16 -12.933 -3.837 -3.125 116 HG3 PRO 16 HG1 PRO 16 -12.816 -2.251 -3.900 117 HD2 PRO 16 HD2 PRO 16 -10.748 -4.198 -3.558 118 HD3 PRO 16 HD1 PRO 16 -10.610 -2.586 -4.282 119 H ASP 17 HN ASP 17 -9.459 -4.385 -0.735 120 HA ASP 17 HA ASP 17 -11.353 -6.235 0.495 121 HB2 ASP 17 HB2 ASP 17 -8.660 -6.566 -0.767 122 HB3 ASP 17 HB1 ASP 17 -9.287 -7.811 0.306 123 H GLY 18 HN GLY 18 -8.715 -4.205 1.412 124 HA2 GLY 18 HA2 GLY 18 -8.293 -3.577 3.630 125 HA3 GLY 18 HA1 GLY 18 -9.170 -4.985 4.185 126 H ASN 19 HN ASN 19 -7.203 -6.124 1.944 127 HA ASN 19 HA ASN 19 -5.302 -7.157 3.859 128 HB2 ASN 19 HB2 ASN 19 -4.657 -8.512 1.744 129 HB3 ASN 19 HB1 ASN 19 -6.176 -8.848 2.563 130 HD21 ASN 19 HD21 ASN 19 -5.795 -5.987 0.634 131 HD22 ASN 19 HD22 ASN 19 -6.850 -6.474 -0.640 132 H CYS 20 HN CYS 20 -4.650 -4.657 3.713 133 HA CYS 20 HA CYS 20 -3.347 -3.733 1.453 134 HB2 CYS 20 HB2 CYS 20 -2.404 -1.997 2.922 135 HB3 CYS 20 HB1 CYS 20 -4.137 -2.163 3.076 136 H ASN 21 HN ASN 21 -1.990 -5.078 4.435 137 HA ASN 21 HA ASN 21 0.670 -4.596 3.750 138 HB2 ASN 21 HB2 ASN 21 -0.630 -5.616 5.960 139 HB3 ASN 21 HB1 ASN 21 0.288 -6.987 5.357 140 HD21 ASN 21 HD21 ASN 21 1.303 -3.717 4.898 141 HD22 ASN 21 HD22 ASN 21 2.658 -3.797 5.957 142 H LYS 22 HN LYS 22 -1.172 -7.641 3.525 143 HA LYS 22 HA LYS 22 1.023 -9.013 2.419 144 HB2 LYS 22 HB2 LYS 22 -0.423 -10.862 2.081 145 HB3 LYS 22 HB1 LYS 22 -0.900 -10.099 3.585 146 HG2 LYS 22 HG2 LYS 22 -2.777 -8.998 2.387 147 HG3 LYS 22 HG1 LYS 22 -2.311 -9.894 0.936 148 HD2 LYS 22 HD2 LYS 22 -2.611 -12.007 2.144 149 HD3 LYS 22 HD1 LYS 22 -3.096 -11.106 3.579 150 HE2 LYS 22 HE2 LYS 22 -5.032 -10.254 2.455 151 HE3 LYS 22 HE1 LYS 22 -4.526 -10.995 0.934 152 HZ1 LYS 22 HZ1 LYS 22 -5.306 -12.434 3.414 153 HZ2 LYS 22 HZ2 LYS 22 -4.756 -13.172 1.997 154 HZ3 LYS 22 HZ3 LYS 22 -6.217 -12.323 1.993 155 H HIS 23 HN HIS 23 -1.329 -6.919 0.955 156 HA HIS 23 HA HIS 23 -1.146 -8.011 -1.653 157 HB2 HIS 23 HB2 HIS 23 -2.898 -6.352 -0.911 158 HB3 HIS 23 HB1 HIS 23 -1.662 -5.103 -1.039 159 HD1 HIS 23 HD1 HIS 23 -1.385 -4.056 -3.313 160 HD2 HIS 23 HD2 HIS 23 -3.388 -7.698 -3.475 161 HE1 HIS 23 HE1 HIS 23 -2.168 -4.297 -5.686 162 HE2 HIS 23 HE2 HIS 23 -3.378 -6.499 -5.765 163 H CYS 24 HN CYS 24 0.370 -4.993 -0.409 164 HA CYS 24 HA CYS 24 2.068 -4.713 -2.663 165 HB2 CYS 24 HB2 CYS 24 2.065 -3.513 0.086 166 HB3 CYS 24 HB1 CYS 24 3.480 -3.326 -0.934 167 H ARG 25 HN ARG 25 2.361 -6.647 0.206 168 HA ARG 25 HA ARG 25 5.239 -6.872 -0.072 169 HB2 ARG 25 HB2 ARG 25 3.402 -8.251 1.875 170 HB3 ARG 25 HB1 ARG 25 5.153 -8.190 1.955 171 HG2 ARG 25 HG2 ARG 25 3.337 -5.815 2.108 172 HG3 ARG 25 HG1 ARG 25 4.097 -6.611 3.491 173 HD2 ARG 25 HD2 ARG 25 5.771 -5.681 1.220 174 HD3 ARG 25 HD1 ARG 25 5.209 -4.502 2.394 175 HE ARG 25 HE ARG 25 7.306 -6.382 2.724 176 HH11 ARG 25 HH11 ARG 25 4.711 -4.842 4.516 177 HH12 ARG 25 HH12 ARG 25 5.514 -4.995 6.041 178 HH21 ARG 25 HH21 ARG 25 8.347 -6.575 4.722 179 HH22 ARG 25 HH22 ARG 25 7.573 -5.996 6.163 180 H ASN 26 HN ASN 26 2.411 -8.746 -0.874 181 HA ASN 26 HA ASN 26 3.984 -11.173 -1.205 182 HB2 ASN 26 HB2 ASN 26 1.075 -10.527 -1.581 183 HB3 ASN 26 HB1 ASN 26 1.749 -12.010 -2.229 184 HD21 ASN 26 HD21 ASN 26 2.973 -10.647 0.704 185 HD22 ASN 26 HD22 ASN 26 2.308 -11.829 1.772 186 H ASN 27 HN ASN 27 2.304 -8.864 -3.303 187 HA ASN 27 HA ASN 27 3.108 -10.378 -5.636 188 HB2 ASN 27 HB2 ASN 27 1.528 -9.213 -6.822 189 HB3 ASN 27 HB1 ASN 27 0.855 -9.073 -5.206 190 HD21 ASN 27 HD21 ASN 27 1.217 -7.073 -4.041 191 HD22 ASN 27 HD22 ASN 27 1.404 -5.600 -4.951 192 H GLU 28 HN GLU 28 3.929 -7.293 -4.120 193 HA GLU 28 HA GLU 28 5.940 -6.894 -6.232 194 HB2 GLU 28 HB2 GLU 28 4.055 -5.189 -5.932 195 HB3 GLU 28 HB1 GLU 28 4.844 -4.740 -4.430 196 HG2 GLU 28 HG2 GLU 28 6.705 -3.886 -5.518 197 HG3 GLU 28 HG1 GLU 28 6.346 -4.750 -7.012 198 H HIS 29 HN HIS 29 5.421 -7.366 -2.887 199 HA HIS 29 HA HIS 29 6.768 -7.634 -1.108 200 HB2 HIS 29 HB2 HIS 29 7.909 -9.164 -2.782 201 HB3 HIS 29 HB1 HIS 29 9.067 -7.866 -3.049 202 HD1 HIS 29 HD1 HIS 29 7.782 -10.049 -0.231 203 HD2 HIS 29 HD2 HIS 29 11.137 -7.829 -1.272 204 HE1 HIS 29 HE1 HIS 29 9.467 -10.484 1.576 205 HE2 HIS 29 HE2 HIS 29 11.558 -9.305 0.809 206 H LEU 30 HN LEU 30 6.165 -5.193 -1.104 207 HA LEU 30 HA LEU 30 8.413 -3.426 -1.475 208 HB2 LEU 30 HB2 LEU 30 5.752 -2.841 -0.193 209 HB3 LEU 30 HB1 LEU 30 6.956 -1.665 -0.681 210 HG LEU 30 HG LEU 30 5.255 -3.395 -2.464 211 HD11 LEU 30 HD11 LEU 30 4.135 -1.441 -1.653 212 HD12 LEU 30 HD12 LEU 30 4.562 -1.188 -3.345 213 HD13 LEU 30 HD13 LEU 30 5.514 -0.425 -2.070 214 HD21 LEU 30 HD21 LEU 30 7.467 -3.363 -3.415 215 HD22 LEU 30 HD22 LEU 30 7.572 -1.615 -3.197 216 HD23 LEU 30 HD23 LEU 30 6.413 -2.295 -4.343 217 H LEU 31 HN LEU 31 8.149 -1.664 0.641 218 HA LEU 31 HA LEU 31 9.686 -3.173 2.589 219 HB2 LEU 31 HB2 LEU 31 9.265 -0.195 2.556 220 HB3 LEU 31 HB1 LEU 31 10.593 -1.101 3.265 221 HG LEU 31 HG LEU 31 10.017 -0.745 0.334 222 HD11 LEU 31 HD11 LEU 31 12.346 0.153 2.024 223 HD12 LEU 31 HD12 LEU 31 11.067 1.188 1.390 224 HD13 LEU 31 HD13 LEU 31 12.180 0.384 0.283 225 HD21 LEU 31 HD21 LEU 31 12.132 -2.411 1.678 226 HD22 LEU 31 HD22 LEU 31 12.097 -2.015 -0.040 227 HD23 LEU 31 HD23 LEU 31 10.800 -2.980 0.669 228 H SER 32 HN SER 32 6.957 -0.833 2.699 229 HA SER 32 HA SER 32 6.201 -2.145 5.244 230 HB2 SER 32 HB2 SER 32 5.758 0.580 4.133 231 HB3 SER 32 HB1 SER 32 4.508 -0.099 5.164 232 HG SER 32 HG SER 32 6.734 1.060 5.915 233 H GLY 33 HN GLY 33 4.976 -1.204 2.109 234 HA2 GLY 33 HA2 GLY 33 3.528 -2.276 0.727 235 HA3 GLY 33 HA1 GLY 33 3.797 -3.695 1.706 236 H ARG 34 HN ARG 34 2.227 -0.694 2.759 237 HA ARG 34 HA ARG 34 -0.103 -2.212 3.585 238 HB2 ARG 34 HB2 ARG 34 1.327 0.143 4.286 239 HB3 ARG 34 HB1 ARG 34 -0.330 0.628 3.981 240 HG2 ARG 34 HG2 ARG 34 -1.013 -1.135 5.647 241 HG3 ARG 34 HG1 ARG 34 0.707 -1.367 5.990 242 HD2 ARG 34 HD2 ARG 34 0.939 0.918 6.698 243 HD3 ARG 34 HD1 ARG 34 -0.713 1.311 6.181 244 HE ARG 34 HE ARG 34 -0.910 -0.735 8.054 245 HH11 ARG 34 HH11 ARG 34 0.353 2.533 7.992 246 HH12 ARG 34 HH12 ARG 34 -0.078 2.870 9.633 247 HH21 ARG 34 HH21 ARG 34 -1.460 -0.306 10.222 248 HH22 ARG 34 HH22 ARG 34 -1.111 1.250 10.908 249 H CYS 35 HN CYS 35 -0.911 -2.687 1.244 250 HA CYS 35 HA CYS 35 -2.000 -0.296 -0.053 251 HB2 CYS 35 HB2 CYS 35 -0.557 -2.122 -1.229 252 HB3 CYS 35 HB1 CYS 35 -2.101 -2.954 -1.376 253 H ARG 36 HN ARG 36 -4.074 0.295 0.547 254 HA ARG 36 HA ARG 36 -6.115 -1.410 -0.472 255 HB2 ARG 36 HB2 ARG 36 -7.565 -1.475 1.546 256 HB3 ARG 36 HB1 ARG 36 -6.168 -2.506 1.628 257 HG2 ARG 36 HG2 ARG 36 -5.084 -0.612 2.953 258 HG3 ARG 36 HG1 ARG 36 -6.718 0.019 3.105 259 HD2 ARG 36 HD2 ARG 36 -7.437 -2.150 4.027 260 HD3 ARG 36 HD1 ARG 36 -5.782 -2.728 3.964 261 HE ARG 36 HE ARG 36 -5.901 -0.323 5.436 262 HH11 ARG 36 HH11 ARG 36 -6.740 -3.719 5.729 263 HH12 ARG 36 HH12 ARG 36 -6.774 -3.679 7.460 264 HH21 ARG 36 HH21 ARG 36 -5.954 -0.289 7.714 265 HH22 ARG 36 HH22 ARG 36 -6.329 -1.742 8.583 266 H ASP 37 HN ASP 37 -8.263 -0.487 -0.419 267 HA ASP 37 HA ASP 37 -8.258 2.437 -0.383 268 HB2 ASP 37 HB2 ASP 37 -7.523 1.931 -2.606 269 HB3 ASP 37 HB1 ASP 37 -8.800 0.745 -2.813 270 H ASP 38 HN ASP 38 -9.627 2.385 1.146 271 HA ASP 38 HA ASP 38 -12.220 2.679 1.235 272 HB2 ASP 38 HB2 ASP 38 -12.645 0.485 0.110 273 HB3 ASP 38 HB1 ASP 38 -11.796 -0.326 1.422 274 H PHE 39 HN PHE 39 -9.742 0.583 2.371 275 HA PHE 39 HA PHE 39 -9.925 1.702 5.083 276 HB2 PHE 39 HB2 PHE 39 -8.263 -0.619 4.149 277 HB3 PHE 39 HB1 PHE 39 -8.704 -0.222 5.786 278 HD1 PHE 39 HD1 PHE 39 -11.047 -0.586 6.547 279 HD2 PHE 39 HD2 PHE 39 -9.618 -2.013 2.784 280 HE1 PHE 39 HE1 PHE 39 -12.948 -2.134 6.414 281 HE2 PHE 39 HE2 PHE 39 -11.534 -3.553 2.654 282 HZ PHE 39 HZ PHE 39 -13.196 -3.618 4.469 283 H ARG 40 HN ARG 40 -7.524 2.123 5.937 284 HA ARG 40 HA ARG 40 -6.112 3.313 3.640 285 HB2 ARG 40 HB2 ARG 40 -6.371 4.424 6.439 286 HB3 ARG 40 HB1 ARG 40 -5.393 5.133 5.167 287 HG2 ARG 40 HG2 ARG 40 -7.414 5.475 3.819 288 HG3 ARG 40 HG1 ARG 40 -8.378 4.800 5.131 289 HD2 ARG 40 HD2 ARG 40 -7.535 6.605 6.610 290 HD3 ARG 40 HD1 ARG 40 -6.705 7.305 5.221 291 HE ARG 40 HE ARG 40 -9.502 6.911 4.755 292 HH11 ARG 40 HH11 ARG 40 -7.163 9.066 6.213 293 HH12 ARG 40 HH12 ARG 40 -8.173 10.471 6.076 294 HH21 ARG 40 HH21 ARG 40 -10.850 8.757 4.585 295 HH22 ARG 40 HH22 ARG 40 -10.278 10.292 5.152 296 H CYS 41 HN CYS 41 -4.267 2.414 3.266 297 HA CYS 41 HA CYS 41 -2.481 1.827 5.494 298 HB2 CYS 41 HB2 CYS 41 -3.469 -0.011 3.395 299 HB3 CYS 41 HB1 CYS 41 -1.808 -0.202 3.896 300 H TRP 42 HN TRP 42 -0.264 2.309 5.116 301 HA TRP 42 HA TRP 42 0.391 3.787 2.674 302 HB2 TRP 42 HB2 TRP 42 1.906 3.490 5.271 303 HB3 TRP 42 HB1 TRP 42 2.359 4.546 3.944 304 HD1 TRP 42 HD1 TRP 42 -0.584 4.140 6.447 305 HE1 TRP 42 HE1 TRP 42 -1.495 6.491 6.967 306 HE3 TRP 42 HE3 TRP 42 2.391 6.867 3.322 307 HZ2 TRP 42 HZ2 TRP 42 -1.009 9.151 6.143 308 HZ3 TRP 42 HZ3 TRP 42 2.107 9.294 3.239 309 HH2 TRP 42 HH2 TRP 42 0.446 10.423 4.623 310 H CYS 43 HN CYS 43 1.276 2.488 1.004 311 HA CYS 43 HA CYS 43 3.139 0.375 1.746 312 HB2 CYS 43 HB2 CYS 43 2.329 1.348 -0.996 313 HB3 CYS 43 HB1 CYS 43 3.496 0.079 -0.720 314 H THR 44 HN THR 44 5.216 0.611 1.973 315 HA THR 44 HA THR 44 6.489 3.107 1.119 316 HB THR 44 HB THR 44 7.636 1.155 3.107 317 HG1 THR 44 HG1 THR 44 6.290 3.455 3.987 318 HG21 THR 44 HG21 THR 44 8.573 3.444 3.929 319 HG22 THR 44 HG22 THR 44 8.197 3.965 2.282 320 HG23 THR 44 HG23 THR 44 9.305 2.623 2.552 321 H ASN 45 HN ASN 45 8.078 3.080 -0.317 322 HA ASN 45 HA ASN 45 9.794 0.793 -0.677 323 HB2 ASN 45 HB2 ASN 45 7.776 0.392 -2.189 324 HB3 ASN 45 HB1 ASN 45 8.291 1.804 -3.100 325 HD21 ASN 45 HD21 ASN 45 9.165 -1.445 -2.126 326 HD22 ASN 45 HD22 ASN 45 10.287 -1.729 -3.406 327 H ARG 46 HN ARG 46 10.757 1.850 -3.267 328 HA ARG 46 HA ARG 46 11.942 4.352 -2.256 329 HB2 ARG 46 HB2 ARG 46 13.252 2.549 -4.274 330 HB3 ARG 46 HB1 ARG 46 13.987 3.780 -3.255 331 HG2 ARG 46 HG2 ARG 46 14.245 2.389 -1.520 332 HG3 ARG 46 HG1 ARG 46 12.708 1.569 -1.812 333 HD2 ARG 46 HD2 ARG 46 13.679 0.310 -3.621 334 HD3 ARG 46 HD1 ARG 46 15.205 1.183 -3.456 335 HE ARG 46 HE ARG 46 14.705 0.040 -0.994 336 HH11 ARG 46 HH11 ARG 46 15.204 -1.075 -4.275 337 HH12 ARG 46 HH12 ARG 46 15.894 -2.591 -3.789 338 HH21 ARG 46 HH21 ARG 46 15.602 -1.958 -0.351 339 HH22 ARG 46 HH22 ARG 46 16.126 -3.091 -1.555 340 H CYS 47 HN CYS 47 11.600 6.102 -3.465 341 HA CYS 47 HA CYS 47 10.036 5.774 -5.883 342 HB2 CYS 47 HB2 CYS 47 9.756 8.279 -5.670 343 HB3 CYS 47 HB1 CYS 47 9.098 7.326 -4.348 Start of MODEL 20 1 H1 LYS 1 HT1 LYS 1 12.706 6.595 7.739 2 H2 LYS 1 HT2 LYS 1 12.530 7.684 6.457 3 H3 LYS 1 HT3 LYS 1 13.861 6.643 6.506 4 HA LYS 1 HA LYS 1 12.443 4.735 6.240 5 HB2 LYS 1 HB2 LYS 1 10.081 4.972 5.818 6 HB3 LYS 1 HB1 LYS 1 10.456 5.755 7.346 7 HG2 LYS 1 HG2 LYS 1 10.426 7.927 6.257 8 HG3 LYS 1 HG1 LYS 1 10.088 7.152 4.709 9 HD2 LYS 1 HD2 LYS 1 8.000 6.217 5.731 10 HD3 LYS 1 HD1 LYS 1 8.323 7.215 7.152 11 HE2 LYS 1 HE2 LYS 1 8.304 9.216 5.706 12 HE3 LYS 1 HE1 LYS 1 7.884 8.193 4.334 13 HZ1 LYS 1 HZ1 LYS 1 5.913 9.193 5.202 14 HZ2 LYS 1 HZ2 LYS 1 6.253 8.658 6.769 15 HZ3 LYS 1 HZ3 LYS 1 5.853 7.538 5.563 16 H THR 2 HN THR 2 11.030 4.402 4.084 17 HA THR 2 HA THR 2 12.548 5.737 1.968 18 HB THR 2 HB THR 2 11.384 3.704 0.719 19 HG1 THR 2 HG1 THR 2 12.026 2.349 3.050 20 HG21 THR 2 HG21 THR 2 13.476 2.445 1.136 21 HG22 THR 2 HG22 THR 2 13.868 3.595 2.417 22 HG23 THR 2 HG23 THR 2 13.762 4.140 0.744 23 H CYS 3 HN CYS 3 11.150 5.714 -0.196 24 HA CYS 3 HA CYS 3 9.216 7.701 0.079 25 HB2 CYS 3 HB2 CYS 3 9.342 5.676 -2.168 26 HB3 CYS 3 HB1 CYS 3 8.644 7.291 -2.238 27 H GLU 4 HN GLU 4 7.321 7.579 1.058 28 HA GLU 4 HA GLU 4 5.815 5.058 0.934 29 HB2 GLU 4 HB2 GLU 4 6.859 5.223 3.120 30 HB3 GLU 4 HB1 GLU 4 6.256 6.863 3.315 31 HG2 GLU 4 HG2 GLU 4 3.928 5.904 3.198 32 HG3 GLU 4 HG1 GLU 4 4.665 4.300 3.323 33 H ASN 5 HN ASN 5 3.679 5.253 0.537 34 HA ASN 5 HA ASN 5 2.447 7.868 0.938 35 HB2 ASN 5 HB2 ASN 5 1.377 7.898 -1.201 36 HB3 ASN 5 HB1 ASN 5 3.098 7.690 -1.461 37 HD21 ASN 5 HD21 ASN 5 -0.004 6.113 -1.478 38 HD22 ASN 5 HD22 ASN 5 0.461 4.779 -2.486 39 H LEU 6 HN LEU 6 0.200 7.794 1.134 40 HA LEU 6 HA LEU 6 -0.735 5.269 2.208 41 HB2 LEU 6 HB2 LEU 6 -1.061 7.796 3.107 42 HB3 LEU 6 HB1 LEU 6 -2.530 7.613 2.167 43 HG LEU 6 HG LEU 6 -1.652 5.932 4.534 44 HD11 LEU 6 HD11 LEU 6 -3.754 6.758 5.491 45 HD12 LEU 6 HD12 LEU 6 -4.033 7.728 4.046 46 HD13 LEU 6 HD13 LEU 6 -2.657 8.079 5.092 47 HD21 LEU 6 HD21 LEU 6 -3.880 5.513 2.569 48 HD22 LEU 6 HD22 LEU 6 -3.870 4.823 4.194 49 HD23 LEU 6 HD23 LEU 6 -2.599 4.388 3.049 50 H SER 7 HN SER 7 -1.749 3.925 0.966 51 HA SER 7 HA SER 7 -2.968 4.873 -1.506 52 HB2 SER 7 HB2 SER 7 -1.346 2.855 -1.333 53 HB3 SER 7 HB1 SER 7 -2.720 1.991 -0.647 54 HG SER 7 HG SER 7 -3.148 3.401 -3.015 55 H GLY 8 HN GLY 8 -5.041 5.347 -1.472 56 HA2 GLY 8 HA2 GLY 8 -7.126 3.749 -0.722 57 HA3 GLY 8 HA1 GLY 8 -6.726 4.646 0.735 58 H THR 9 HN THR 9 -8.029 6.309 1.006 59 HA THR 9 HA THR 9 -9.491 7.506 -1.108 60 HB THR 9 HB THR 9 -10.443 7.507 1.104 61 HG1 THR 9 HG1 THR 9 -11.049 9.294 -0.131 62 HG21 THR 9 HG21 THR 9 -8.415 7.552 2.444 63 HG22 THR 9 HG22 THR 9 -9.493 8.859 2.934 64 HG23 THR 9 HG23 THR 9 -8.086 9.207 1.928 65 H PHE 10 HN PHE 10 -6.568 8.463 0.675 66 HA PHE 10 HA PHE 10 -6.325 10.854 -0.965 67 HB2 PHE 10 HB2 PHE 10 -5.834 10.840 1.524 68 HB3 PHE 10 HB1 PHE 10 -4.437 9.833 1.170 69 HD1 PHE 10 HD1 PHE 10 -2.490 11.015 1.381 70 HD2 PHE 10 HD2 PHE 10 -5.869 12.919 -0.373 71 HE1 PHE 10 HE1 PHE 10 -1.148 13.042 0.997 72 HE2 PHE 10 HE2 PHE 10 -4.530 14.944 -0.766 73 HZ PHE 10 HZ PHE 10 -2.166 15.006 -0.081 74 H LYS 11 HN LYS 11 -4.555 11.145 -2.399 75 HA LYS 11 HA LYS 11 -2.911 10.551 -3.865 76 HB2 LYS 11 HB2 LYS 11 -2.405 8.353 -1.851 77 HB3 LYS 11 HB1 LYS 11 -1.315 8.813 -3.150 78 HG2 LYS 11 HG2 LYS 11 -0.638 10.721 -2.101 79 HG3 LYS 11 HG1 LYS 11 -2.158 10.912 -1.232 80 HD2 LYS 11 HD2 LYS 11 -1.566 9.485 0.436 81 HD3 LYS 11 HD1 LYS 11 -0.471 8.575 -0.591 82 HE2 LYS 11 HE2 LYS 11 -0.033 11.285 0.644 83 HE3 LYS 11 HE1 LYS 11 0.849 9.800 0.990 84 HZ1 LYS 11 HZ1 LYS 11 2.173 11.199 -0.404 85 HZ2 LYS 11 HZ2 LYS 11 0.928 11.363 -1.533 86 HZ3 LYS 11 HZ3 LYS 11 1.683 9.866 -1.323 87 H GLY 12 HN GLY 12 -2.091 7.655 -4.211 88 HA2 GLY 12 HA2 GLY 12 -4.224 6.985 -6.072 89 HA3 GLY 12 HA1 GLY 12 -2.656 6.205 -5.967 90 HA PRO 13 HA PRO 13 -5.984 3.911 -3.370 91 HB2 PRO 13 HB2 PRO 13 -7.710 2.833 -5.122 92 HB3 PRO 13 HB1 PRO 13 -7.953 4.447 -4.442 93 HG2 PRO 13 HG2 PRO 13 -6.863 3.659 -7.116 94 HG3 PRO 13 HG1 PRO 13 -7.999 4.959 -6.712 95 HD2 PRO 13 HD2 PRO 13 -5.322 5.341 -7.145 96 HD3 PRO 13 HD1 PRO 13 -6.319 6.399 -6.129 97 H CYS 14 HN CYS 14 -6.504 1.484 -3.557 98 HA CYS 14 HA CYS 14 -4.652 0.079 -5.319 99 HB2 CYS 14 HB2 CYS 14 -3.417 0.522 -3.241 100 HB3 CYS 14 HB1 CYS 14 -4.682 -0.268 -2.318 101 H ILE 15 HN ILE 15 -6.476 -0.995 -2.445 102 HA ILE 15 HA ILE 15 -8.196 -2.654 -4.113 103 HB ILE 15 HB ILE 15 -7.585 -4.691 -2.831 104 HG12 ILE 15 HG12 ILE 15 -5.455 -2.829 -1.799 105 HG13 ILE 15 HG11 ILE 15 -6.589 -3.811 -0.880 106 HG21 ILE 15 HG21 ILE 15 -6.733 -4.392 -5.079 107 HG22 ILE 15 HG22 ILE 15 -5.509 -5.164 -4.072 108 HG23 ILE 15 HG23 ILE 15 -5.375 -3.449 -4.466 109 HD11 ILE 15 HD11 ILE 15 -4.264 -4.803 -2.491 110 HD12 ILE 15 HD12 ILE 15 -5.422 -5.822 -1.639 111 HD13 ILE 15 HD13 ILE 15 -4.380 -4.724 -0.735 112 HA PRO 16 HA PRO 16 -10.757 -1.854 -0.564 113 HB2 PRO 16 HB2 PRO 16 -13.056 -2.711 -1.607 114 HB3 PRO 16 HB1 PRO 16 -12.220 -1.305 -2.273 115 HG2 PRO 16 HG2 PRO 16 -12.465 -4.047 -3.363 116 HG3 PRO 16 HG1 PRO 16 -12.247 -2.513 -4.218 117 HD2 PRO 16 HD2 PRO 16 -10.249 -4.443 -3.532 118 HD3 PRO 16 HD1 PRO 16 -10.021 -2.882 -4.337 119 H ASP 17 HN ASP 17 -9.228 -4.339 -0.263 120 HA ASP 17 HA ASP 17 -11.345 -6.123 0.751 121 HB2 ASP 17 HB2 ASP 17 -10.030 -7.113 -1.060 122 HB3 ASP 17 HB1 ASP 17 -8.553 -6.856 -0.138 123 H GLY 18 HN GLY 18 -8.521 -4.331 1.672 124 HA2 GLY 18 HA2 GLY 18 -8.170 -3.740 3.962 125 HA3 GLY 18 HA1 GLY 18 -8.978 -5.216 4.437 126 H ASN 19 HN ASN 19 -7.219 -6.443 2.219 127 HA ASN 19 HA ASN 19 -5.051 -7.279 3.862 128 HB2 ASN 19 HB2 ASN 19 -4.464 -8.663 1.920 129 HB3 ASN 19 HB1 ASN 19 -6.169 -8.779 2.317 130 HD21 ASN 19 HD21 ASN 19 -6.629 -6.080 1.067 131 HD22 ASN 19 HD22 ASN 19 -6.673 -6.383 -0.626 132 H CYS 20 HN CYS 20 -4.614 -4.604 3.731 133 HA CYS 20 HA CYS 20 -3.217 -3.677 1.536 134 HB2 CYS 20 HB2 CYS 20 -2.415 -1.867 2.898 135 HB3 CYS 20 HB1 CYS 20 -4.090 -2.152 3.272 136 H ASN 21 HN ASN 21 -1.839 -4.747 4.613 137 HA ASN 21 HA ASN 21 0.820 -4.432 4.007 138 HB2 ASN 21 HB2 ASN 21 -0.361 -6.626 5.715 139 HB3 ASN 21 HB1 ASN 21 1.291 -6.052 5.788 140 HD21 ASN 21 HD21 ASN 21 0.524 -3.275 5.497 141 HD22 ASN 21 HD22 ASN 21 -0.195 -2.823 6.994 142 H LYS 22 HN LYS 22 -1.006 -7.468 3.776 143 HA LYS 22 HA LYS 22 1.197 -8.917 2.748 144 HB2 LYS 22 HB2 LYS 22 -0.793 -10.547 2.089 145 HB3 LYS 22 HB1 LYS 22 -0.236 -10.373 3.745 146 HG2 LYS 22 HG2 LYS 22 -2.067 -8.880 4.244 147 HG3 LYS 22 HG1 LYS 22 -2.612 -8.922 2.563 148 HD2 LYS 22 HD2 LYS 22 -3.143 -11.251 2.732 149 HD3 LYS 22 HD1 LYS 22 -2.394 -11.363 4.325 150 HE2 LYS 22 HE2 LYS 22 -4.778 -9.631 3.699 151 HE3 LYS 22 HE1 LYS 22 -4.896 -11.269 4.335 152 HZ1 LYS 22 HZ1 LYS 22 -3.737 -10.593 6.302 153 HZ2 LYS 22 HZ2 LYS 22 -5.039 -9.542 6.058 154 HZ3 LYS 22 HZ3 LYS 22 -3.469 -9.044 5.683 155 H HIS 23 HN HIS 23 -1.349 -7.087 1.139 156 HA HIS 23 HA HIS 23 -1.105 -8.399 -1.352 157 HB2 HIS 23 HB2 HIS 23 -2.963 -6.804 -0.657 158 HB3 HIS 23 HB1 HIS 23 -1.851 -5.501 -1.066 159 HD1 HIS 23 HD1 HIS 23 -1.463 -5.014 -3.546 160 HD2 HIS 23 HD2 HIS 23 -3.889 -8.320 -2.869 161 HE1 HIS 23 HE1 HIS 23 -2.449 -5.595 -5.781 162 HE2 HIS 23 HE2 HIS 23 -3.739 -7.724 -5.379 163 H CYS 24 HN CYS 24 0.361 -5.341 -0.211 164 HA CYS 24 HA CYS 24 1.999 -4.901 -2.441 165 HB2 CYS 24 HB2 CYS 24 2.150 -4.114 0.420 166 HB3 CYS 24 HB1 CYS 24 3.639 -4.027 -0.505 167 H ARG 25 HN ARG 25 2.765 -6.695 0.555 168 HA ARG 25 HA ARG 25 5.348 -7.227 -0.288 169 HB2 ARG 25 HB2 ARG 25 3.687 -7.985 1.994 170 HB3 ARG 25 HB1 ARG 25 5.085 -9.006 1.670 171 HG2 ARG 25 HG2 ARG 25 5.964 -7.323 3.028 172 HG3 ARG 25 HG1 ARG 25 6.315 -6.803 1.373 173 HD2 ARG 25 HD2 ARG 25 5.422 -4.849 2.250 174 HD3 ARG 25 HD1 ARG 25 4.066 -5.667 1.472 175 HE ARG 25 HE ARG 25 3.132 -6.125 3.546 176 HH11 ARG 25 HH11 ARG 25 6.335 -4.750 3.932 177 HH12 ARG 25 HH12 ARG 25 6.167 -4.502 5.636 178 HH21 ARG 25 HH21 ARG 25 2.934 -5.825 5.811 179 HH22 ARG 25 HH22 ARG 25 4.227 -5.094 6.702 180 H ASN 26 HN ASN 26 2.468 -9.132 -0.612 181 HA ASN 26 HA ASN 26 3.925 -11.519 -1.330 182 HB2 ASN 26 HB2 ASN 26 0.996 -10.812 -1.355 183 HB3 ASN 26 HB1 ASN 26 1.587 -12.311 -2.051 184 HD21 ASN 26 HD21 ASN 26 3.092 -10.908 0.732 185 HD22 ASN 26 HD22 ASN 26 2.542 -12.077 1.876 186 H ASN 27 HN ASN 27 2.242 -8.935 -2.990 187 HA ASN 27 HA ASN 27 2.570 -10.230 -5.558 188 HB2 ASN 27 HB2 ASN 27 1.347 -7.573 -4.800 189 HB3 ASN 27 HB1 ASN 27 1.394 -8.215 -6.439 190 HD21 ASN 27 HD21 ASN 27 0.003 -8.529 -3.265 191 HD22 ASN 27 HD22 ASN 27 -1.274 -9.619 -3.725 192 H GLU 28 HN GLU 28 3.684 -7.203 -4.027 193 HA GLU 28 HA GLU 28 5.590 -6.938 -6.258 194 HB2 GLU 28 HB2 GLU 28 3.740 -5.205 -5.919 195 HB3 GLU 28 HB1 GLU 28 4.627 -4.693 -4.493 196 HG2 GLU 28 HG2 GLU 28 5.182 -3.260 -6.322 197 HG3 GLU 28 HG1 GLU 28 6.590 -4.251 -5.933 198 H HIS 29 HN HIS 29 5.231 -7.079 -2.812 199 HA HIS 29 HA HIS 29 6.690 -7.516 -1.187 200 HB2 HIS 29 HB2 HIS 29 7.870 -8.937 -2.958 201 HB3 HIS 29 HB1 HIS 29 9.025 -7.601 -3.053 202 HD1 HIS 29 HD1 HIS 29 7.328 -9.370 -0.155 203 HD2 HIS 29 HD2 HIS 29 11.109 -8.164 -1.383 204 HE1 HIS 29 HE1 HIS 29 8.804 -9.717 1.825 205 HE2 HIS 29 HE2 HIS 29 11.086 -8.919 1.097 206 H LEU 30 HN LEU 30 5.951 -5.017 -1.323 207 HA LEU 30 HA LEU 30 8.270 -3.303 -1.469 208 HB2 LEU 30 HB2 LEU 30 5.522 -2.524 -0.533 209 HB3 LEU 30 HB1 LEU 30 6.824 -1.462 -1.018 210 HG LEU 30 HG LEU 30 5.060 -3.168 -2.751 211 HD11 LEU 30 HD11 LEU 30 5.814 -0.253 -2.769 212 HD12 LEU 30 HD12 LEU 30 4.280 -0.931 -2.220 213 HD13 LEU 30 HD13 LEU 30 4.738 -1.038 -3.924 214 HD21 LEU 30 HD21 LEU 30 6.475 -2.582 -4.659 215 HD22 LEU 30 HD22 LEU 30 7.331 -3.599 -3.500 216 HD23 LEU 30 HD23 LEU 30 7.655 -1.865 -3.561 217 H LEU 31 HN LEU 31 7.879 -1.479 0.540 218 HA LEU 31 HA LEU 31 9.285 -3.049 2.546 219 HB2 LEU 31 HB2 LEU 31 9.045 -0.058 2.392 220 HB3 LEU 31 HB1 LEU 31 10.293 -0.997 3.192 221 HG LEU 31 HG LEU 31 9.838 -0.749 0.227 222 HD11 LEU 31 HD11 LEU 31 12.121 0.124 1.983 223 HD12 LEU 31 HD12 LEU 31 10.947 1.175 1.194 224 HD13 LEU 31 HD13 LEU 31 12.084 0.237 0.226 225 HD21 LEU 31 HD21 LEU 31 11.876 -2.139 0.005 226 HD22 LEU 31 HD22 LEU 31 10.479 -2.998 0.654 227 HD23 LEU 31 HD23 LEU 31 11.778 -2.484 1.734 228 H SER 32 HN SER 32 6.744 -0.493 2.629 229 HA SER 32 HA SER 32 6.088 -1.403 5.349 230 HB2 SER 32 HB2 SER 32 6.123 1.087 4.672 231 HB3 SER 32 HB1 SER 32 4.612 0.742 3.846 232 HG SER 32 HG SER 32 4.392 1.533 6.036 233 H GLY 33 HN GLY 33 4.999 -1.537 2.121 234 HA2 GLY 33 HA2 GLY 33 3.545 -2.872 1.061 235 HA3 GLY 33 HA1 GLY 33 3.622 -3.915 2.456 236 H ARG 34 HN ARG 34 2.364 -0.767 3.161 237 HA ARG 34 HA ARG 34 -0.182 -1.975 3.735 238 HB2 ARG 34 HB2 ARG 34 1.312 0.447 4.254 239 HB3 ARG 34 HB1 ARG 34 -0.380 0.806 4.034 240 HG2 ARG 34 HG2 ARG 34 -0.905 -0.770 5.848 241 HG3 ARG 34 HG1 ARG 34 0.816 -1.120 6.029 242 HD2 ARG 34 HD2 ARG 34 1.275 1.150 6.662 243 HD3 ARG 34 HD1 ARG 34 -0.386 1.649 6.299 244 HE ARG 34 HE ARG 34 -0.940 -0.049 8.161 245 HH11 ARG 34 HH11 ARG 34 1.919 1.988 8.100 246 HH12 ARG 34 HH12 ARG 34 2.058 2.047 9.826 247 HH21 ARG 34 HH21 ARG 34 -0.750 0.036 10.422 248 HH22 ARG 34 HH22 ARG 34 0.544 0.936 11.148 249 H CYS 35 HN CYS 35 -0.710 -2.608 1.377 250 HA CYS 35 HA CYS 35 -1.585 -0.341 -0.249 251 HB2 CYS 35 HB2 CYS 35 -0.173 -2.403 -1.057 252 HB3 CYS 35 HB1 CYS 35 -1.760 -3.138 -1.241 253 H ARG 36 HN ARG 36 -3.688 0.394 0.151 254 HA ARG 36 HA ARG 36 -5.753 -1.532 -0.554 255 HB2 ARG 36 HB2 ARG 36 -5.727 -0.068 2.038 256 HB3 ARG 36 HB1 ARG 36 -7.239 -0.540 1.284 257 HG2 ARG 36 HG2 ARG 36 -6.682 -2.814 1.379 258 HG3 ARG 36 HG1 ARG 36 -5.045 -2.460 1.885 259 HD2 ARG 36 HD2 ARG 36 -7.587 -2.234 3.406 260 HD3 ARG 36 HD1 ARG 36 -6.131 -3.098 3.842 261 HE ARG 36 HE ARG 36 -5.803 -0.247 3.775 262 HH11 ARG 36 HH11 ARG 36 -6.699 -3.037 5.707 263 HH12 ARG 36 HH12 ARG 36 -6.535 -2.209 7.220 264 HH21 ARG 36 HH21 ARG 36 -5.627 0.866 5.820 265 HH22 ARG 36 HH22 ARG 36 -5.951 -0.012 7.281 266 H ASP 37 HN ASP 37 -8.005 -0.320 -0.452 267 HA ASP 37 HA ASP 37 -7.755 2.328 -1.706 268 HB2 ASP 37 HB2 ASP 37 -8.110 0.970 -3.585 269 HB3 ASP 37 HB1 ASP 37 -9.210 -0.096 -2.720 270 H ASP 38 HN ASP 38 -10.419 0.102 -0.888 271 HA ASP 38 HA ASP 38 -12.214 2.001 0.067 272 HB2 ASP 38 HB2 ASP 38 -12.781 -0.368 -0.439 273 HB3 ASP 38 HB1 ASP 38 -11.912 -0.865 1.007 274 H PHE 39 HN PHE 39 -10.021 -0.071 1.873 275 HA PHE 39 HA PHE 39 -10.051 1.746 4.156 276 HB2 PHE 39 HB2 PHE 39 -8.335 -0.710 3.859 277 HB3 PHE 39 HB1 PHE 39 -8.899 0.052 5.339 278 HD1 PHE 39 HD1 PHE 39 -9.739 -2.256 2.641 279 HD2 PHE 39 HD2 PHE 39 -11.162 -0.308 6.150 280 HE1 PHE 39 HE1 PHE 39 -11.631 -3.825 2.743 281 HE2 PHE 39 HE2 PHE 39 -13.053 -1.879 6.255 282 HZ PHE 39 HZ PHE 39 -13.290 -3.637 4.551 283 H ARG 40 HN ARG 40 -7.756 2.378 4.967 284 HA ARG 40 HA ARG 40 -6.132 2.912 2.577 285 HB2 ARG 40 HB2 ARG 40 -5.633 5.162 3.517 286 HB3 ARG 40 HB1 ARG 40 -7.323 4.935 3.106 287 HG2 ARG 40 HG2 ARG 40 -7.843 4.537 5.458 288 HG3 ARG 40 HG1 ARG 40 -6.144 4.777 5.869 289 HD2 ARG 40 HD2 ARG 40 -6.257 7.059 5.004 290 HD3 ARG 40 HD1 ARG 40 -7.953 6.819 4.585 291 HE ARG 40 HE ARG 40 -7.558 6.262 7.319 292 HH11 ARG 40 HH11 ARG 40 -7.651 8.955 5.090 293 HH12 ARG 40 HH12 ARG 40 -8.175 10.096 6.289 294 HH21 ARG 40 HH21 ARG 40 -8.248 7.759 8.901 295 HH22 ARG 40 HH22 ARG 40 -8.520 9.413 8.453 296 H CYS 41 HN CYS 41 -4.131 2.335 2.673 297 HA CYS 41 HA CYS 41 -2.783 2.081 5.267 298 HB2 CYS 41 HB2 CYS 41 -3.548 0.007 3.404 299 HB3 CYS 41 HB1 CYS 41 -1.819 -0.011 3.658 300 H TRP 42 HN TRP 42 -0.561 2.767 5.262 301 HA TRP 42 HA TRP 42 0.501 4.082 2.900 302 HB2 TRP 42 HB2 TRP 42 1.721 3.630 5.632 303 HB3 TRP 42 HB1 TRP 42 2.458 4.592 4.364 304 HD1 TRP 42 HD1 TRP 42 -0.392 4.668 6.909 305 HE1 TRP 42 HE1 TRP 42 -1.184 7.099 7.192 306 HE3 TRP 42 HE3 TRP 42 2.342 6.861 3.190 307 HZ2 TRP 42 HZ2 TRP 42 -0.710 9.613 5.993 308 HZ3 TRP 42 HZ3 TRP 42 2.121 9.268 2.824 309 HH2 TRP 42 HH2 TRP 42 0.616 10.623 4.183 310 H CYS 43 HN CYS 43 1.284 2.631 1.275 311 HA CYS 43 HA CYS 43 3.125 0.546 2.220 312 HB2 CYS 43 HB2 CYS 43 1.393 -0.138 0.580 313 HB3 CYS 43 HB1 CYS 43 2.116 0.942 -0.614 314 H THR 44 HN THR 44 5.236 0.670 2.011 315 HA THR 44 HA THR 44 6.345 3.143 0.885 316 HB THR 44 HB THR 44 7.618 1.380 2.985 317 HG1 THR 44 HG1 THR 44 6.788 3.496 4.182 318 HG21 THR 44 HG21 THR 44 8.797 3.523 3.522 319 HG22 THR 44 HG22 THR 44 8.132 4.177 2.024 320 HG23 THR 44 HG23 THR 44 9.220 2.789 1.977 321 H ASN 45 HN ASN 45 8.171 3.099 -0.367 322 HA ASN 45 HA ASN 45 9.681 0.710 -0.892 323 HB2 ASN 45 HB2 ASN 45 7.633 0.414 -2.325 324 HB3 ASN 45 HB1 ASN 45 8.053 1.906 -3.154 325 HD21 ASN 45 HD21 ASN 45 9.034 -1.393 -2.540 326 HD22 ASN 45 HD22 ASN 45 10.047 -1.553 -3.933 327 H ARG 46 HN ARG 46 11.176 1.400 -2.994 328 HA ARG 46 HA ARG 46 12.171 4.071 -2.294 329 HB2 ARG 46 HB2 ARG 46 13.546 2.048 -4.065 330 HB3 ARG 46 HB1 ARG 46 14.253 3.451 -3.289 331 HG2 ARG 46 HG2 ARG 46 15.025 1.910 -1.847 332 HG3 ARG 46 HG1 ARG 46 13.427 2.110 -1.119 333 HD2 ARG 46 HD2 ARG 46 12.588 0.216 -2.347 334 HD3 ARG 46 HD1 ARG 46 14.117 0.045 -3.197 335 HE ARG 46 HE ARG 46 14.360 -0.133 -0.334 336 HH11 ARG 46 HH11 ARG 46 13.683 -1.909 -3.277 337 HH12 ARG 46 HH12 ARG 46 14.214 -3.428 -2.634 338 HH21 ARG 46 HH21 ARG 46 15.059 -2.132 0.516 339 HH22 ARG 46 HH22 ARG 46 14.993 -3.557 -0.472 340 H CYS 47 HN CYS 47 11.583 5.697 -3.588 341 HA CYS 47 HA CYS 47 10.334 5.033 -6.122 342 HB2 CYS 47 HB2 CYS 47 9.542 7.380 -6.101 343 HB3 CYS 47 HB1 CYS 47 9.068 6.485 -4.665
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