NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
606765 | 2n8e | 25847 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 -0.129 8.570 -2.476 2 HA CYS 1 HA CYS 1 -2.838 9.042 -3.296 3 HB2 CYS 1 2HB CYS 1 -1.604 7.868 -5.248 4 HB3 CYS 1 1HB CYS 1 -1.496 6.475 -4.181 5 H ARG 2 H ARG 2 -3.919 6.598 -2.615 6 HA ARG 2 HA ARG 2 -3.970 6.463 0.133 7 HB2 ARG 2 2HB ARG 2 -5.573 5.447 -1.515 8 HB3 ARG 2 1HB ARG 2 -4.384 4.206 -1.852 9 HG2 ARG 2 2HG ARG 2 -6.067 3.319 -0.414 10 HG3 ARG 2 1HG ARG 2 -4.572 3.456 0.487 11 HD2 ARG 2 2HD ARG 2 -5.382 5.501 1.543 12 HD3 ARG 2 1HD ARG 2 -6.869 5.416 0.596 13 HE ARG 2 HE ARG 2 -6.812 3.033 1.795 14 HH11 ARG 2 1HH1 ARG 2 -6.631 6.354 3.068 15 HH12 ARG 2 2HH1 ARG 2 -7.145 5.934 4.629 16 HH21 ARG 2 1HH2 ARG 2 -7.524 2.476 3.955 17 HH22 ARG 2 2HH2 ARG 2 -7.666 3.680 5.156 18 H ILE 3 H ILE 3 -2.695 5.405 1.682 19 HA ILE 3 HA ILE 3 -0.013 5.341 0.888 20 HB ILE 3 HB ILE 3 0.491 4.869 3.290 21 HG12 ILE 3 2HG1 ILE 3 -2.493 5.253 3.660 22 HG13 ILE 3 1HG1 ILE 3 -1.661 3.706 3.784 23 HG21 ILE 3 1HG2 ILE 3 -1.266 7.230 2.651 24 HG22 ILE 3 2HG2 ILE 3 0.476 7.118 2.396 25 HG23 ILE 3 3HG2 ILE 3 -0.179 7.112 4.033 26 HD11 ILE 3 3HD1 ILE 3 -2.127 4.654 5.944 27 HD12 ILE 3 1HD1 ILE 3 -1.184 6.096 5.543 28 HD13 ILE 3 2HD1 ILE 3 -0.398 4.510 5.654 29 HA HYP 4 HA HYP 4 0.385 0.925 0.386 30 HB2 HYP 4 2HB HYP 4 3.050 1.736 -0.547 31 HB3 HYP 4 1HB HYP 4 1.840 0.777 -1.394 32 HG HYP 4 HG HYP 4 2.234 3.224 -2.257 33 HD22 HYP 4 2HD1 HYP 4 2.270 4.251 -0.022 34 HD23 HYP 4 1HD1 HYP 4 0.675 4.667 -0.721 35 HD1 HYP 4 2HD HYP 4 -0.282 3.383 -1.715 36 H ASN 5 H ASN 5 0.440 0.998 2.740 37 HA ASN 5 HA ASN 5 2.842 -0.400 3.559 38 HB2 ASN 5 2HB ASN 5 3.195 0.863 5.649 39 HB3 ASN 5 1HB ASN 5 3.395 1.916 4.258 40 HD21 ASN 5 1HD2 ASN 5 1.519 1.214 7.049 41 HD22 ASN 5 2HD2 ASN 5 0.513 2.613 6.982 42 H GLN 6 H GLN 6 -0.184 -0.442 3.143 43 HA GLN 6 HA GLN 6 -1.209 -1.362 5.699 44 HB2 GLN 6 2HB GLN 6 -2.521 -1.262 2.981 45 HB3 GLN 6 1HB GLN 6 -3.311 -1.362 4.548 46 HG2 GLN 6 2HG GLN 6 -1.686 1.023 3.649 47 HG3 GLN 6 1HG GLN 6 -3.414 0.849 3.439 48 HE21 GLN 6 1HE2 GLN 6 -4.709 1.221 5.045 49 HE22 GLN 6 2HE2 GLN 6 -4.262 1.751 6.627 50 H LYS 7 H LYS 7 -2.729 -3.459 5.204 51 HA LYS 7 HA LYS 7 -0.947 -5.497 4.160 52 HB2 LYS 7 2HB LYS 7 -3.658 -5.691 5.484 53 HB3 LYS 7 1HB LYS 7 -2.727 -7.078 4.957 54 HG2 LYS 7 2HG LYS 7 -1.929 -5.089 7.087 55 HG3 LYS 7 1HG LYS 7 -2.485 -6.743 7.349 56 HD2 LYS 7 2HD LYS 7 -0.005 -5.977 5.821 57 HD3 LYS 7 1HD LYS 7 -0.019 -6.461 7.512 58 HE2 LYS 7 2HE LYS 7 -1.030 -8.182 5.247 59 HE3 LYS 7 1HE LYS 7 0.600 -8.290 5.910 60 HZ1 LYS 7 3HZ LYS 7 -1.940 -8.842 7.384 61 HZ2 LYS 7 1HZ LYS 7 -0.404 -8.792 8.074 62 HZ3 LYS 7 2HZ LYS 7 -0.755 -9.947 6.937 63 H CYS 8 H CYS 8 -1.222 -6.596 2.280 64 HA CYS 8 HA CYS 8 -3.523 -5.747 0.693 65 HB2 CYS 8 2HB CYS 8 -2.094 -6.095 -1.312 66 HB3 CYS 8 1HB CYS 8 -1.503 -4.821 -0.255 67 H PHE 9 H PHE 9 -4.690 -7.232 -0.345 68 HA PHE 9 HA PHE 9 -3.927 -10.044 -0.203 69 HB2 PHE 9 2HB PHE 9 -6.583 -8.798 0.585 70 HB3 PHE 9 1HB PHE 9 -6.434 -10.493 0.191 71 HD1 PHE 9 2HD PHE 9 -5.546 -7.877 2.650 72 HD2 PHE 9 1HD PHE 9 -5.507 -12.038 1.763 73 HE1 PHE 9 2HE PHE 9 -5.042 -8.376 4.992 74 HE2 PHE 9 1HE PHE 9 -5.001 -12.537 4.098 75 HZ PHE 9 HZ PHE 9 -4.769 -10.718 5.720 76 H GLN 10 H GLN 10 -5.462 -11.267 -1.797 77 HA GLN 10 HA GLN 10 -5.017 -10.278 -4.368 78 HB2 GLN 10 2HB GLN 10 -7.103 -12.273 -3.518 79 HB3 GLN 10 1HB GLN 10 -6.618 -11.977 -5.172 80 HG2 GLN 10 2HG GLN 10 -4.346 -12.751 -4.593 81 HG3 GLN 10 1HG GLN 10 -4.923 -13.138 -2.973 82 HE21 GLN 10 1HE2 GLN 10 -7.579 -13.980 -4.049 83 HE22 GLN 10 2HE2 GLN 10 -7.312 -15.509 -4.774 84 H HIS 11 H HIS 11 -8.002 -10.206 -2.457 85 HA HIS 11 HA HIS 11 -9.269 -8.711 -4.632 86 HB2 HIS 11 2HB HIS 11 -10.618 -9.994 -2.237 87 HB3 HIS 11 1HB HIS 11 -11.391 -9.351 -3.677 88 HD1 HIS 11 1HD HIS 11 -11.121 -10.809 -5.906 89 HD2 HIS 11 2HD HIS 11 -9.664 -12.562 -2.435 90 HE1 HIS 11 1HE HIS 11 -10.689 -13.232 -6.464 91 H LEU 12 H LEU 12 -7.437 -7.852 -2.295 92 HA LEU 12 HA LEU 12 -9.185 -5.757 -1.244 93 HB2 LEU 12 2HB LEU 12 -8.202 -7.156 0.503 94 HB3 LEU 12 1HB LEU 12 -6.603 -6.861 -0.151 95 HG LEU 12 HG LEU 12 -6.782 -4.503 0.449 96 HD11 LEU 12 1HD1 LEU 12 -9.158 -4.192 0.325 97 HD12 LEU 12 2HD1 LEU 12 -8.598 -3.771 1.949 98 HD13 LEU 12 3HD1 LEU 12 -9.402 -5.319 1.658 99 HD21 LEU 12 3HD2 LEU 12 -6.689 -4.795 2.899 100 HD22 LEU 12 1HD2 LEU 12 -5.731 -5.976 2.005 101 HD23 LEU 12 2HD2 LEU 12 -7.294 -6.439 2.686 102 H ASP 13 H ASP 13 -9.007 -4.172 -2.694 103 HA ASP 13 HA ASP 13 -6.311 -3.445 -3.507 104 HB2 ASP 13 2HB ASP 13 -7.857 -4.109 -5.341 105 HB3 ASP 13 1HB ASP 13 -8.902 -2.763 -4.896 106 H ASP 14 H ASP 14 -5.600 -2.033 -2.159 107 HA ASP 14 HA ASP 14 -7.232 0.350 -1.603 108 HB2 ASP 14 2HB ASP 14 -7.302 -1.075 0.384 109 HB3 ASP 14 1HB ASP 14 -5.547 -1.177 0.393 110 H CYS 15 H CYS 15 -3.958 -1.044 -1.370 111 HA CYS 15 HA CYS 15 -2.633 1.462 -1.268 112 HB2 CYS 15 2HB CYS 15 -1.538 -1.244 -2.074 113 HB3 CYS 15 1HB CYS 15 -0.616 0.128 -1.497 114 H CYS 16 H CYS 16 -2.503 2.823 -2.979 115 HA CYS 16 HA CYS 16 -3.294 2.211 -5.582 116 HB2 CYS 16 2HB CYS 16 -1.524 4.459 -4.654 117 HB3 CYS 16 1HB CYS 16 -2.350 4.390 -6.209 118 H SER 17 H SER 17 -0.151 1.958 -4.124 119 HA SER 17 HA SER 17 1.282 1.749 -6.551 120 HB2 SER 17 2HB SER 17 2.352 2.370 -4.478 121 HB3 SER 17 1HB SER 17 1.905 0.833 -3.754 122 HG SER 17 HG SER 17 3.438 0.809 -6.116 123 H ARG 18 H ARG 18 -0.449 -0.539 -4.525 124 HA ARG 18 HA ARG 18 -0.725 -2.765 -4.476 125 HB2 ARG 18 2HB ARG 18 -0.338 -2.471 -7.469 126 HB3 ARG 18 1HB ARG 18 -0.707 -4.014 -6.731 127 HG2 ARG 18 2HG ARG 18 -2.753 -3.191 -7.553 128 HG3 ARG 18 1HG ARG 18 -2.797 -2.906 -5.817 129 HD2 ARG 18 2HD ARG 18 -2.140 -0.583 -6.199 130 HD3 ARG 18 1HD ARG 18 -2.136 -0.875 -7.936 131 HE ARG 18 HE ARG 18 -4.619 -1.551 -6.663 132 HH11 ARG 18 1HH1 ARG 18 -2.773 1.147 -8.071 133 HH12 ARG 18 2HH1 ARG 18 -4.179 2.030 -8.463 134 HH21 ARG 18 1HH2 ARG 18 -6.483 -0.269 -7.162 135 HH22 ARG 18 2HH2 ARG 18 -6.283 1.237 -7.949 136 H LYS 19 H LYS 19 2.030 -1.624 -4.321 137 HA LYS 19 HA LYS 19 3.704 -3.789 -5.251 138 HB2 LYS 19 2HB LYS 19 4.423 -1.411 -5.404 139 HB3 LYS 19 1HB LYS 19 4.356 -1.304 -3.656 140 HG2 LYS 19 2HG LYS 19 6.129 -3.033 -3.540 141 HG3 LYS 19 1HG LYS 19 6.233 -2.977 -5.300 142 HD2 LYS 19 2HD LYS 19 6.819 -0.623 -5.233 143 HD3 LYS 19 1HD LYS 19 6.640 -0.596 -3.482 144 HE2 LYS 19 2HE LYS 19 8.443 -2.286 -3.321 145 HE3 LYS 19 1HE LYS 19 8.652 -2.175 -5.064 146 HZ1 LYS 19 3HZ LYS 19 9.334 0.135 -4.817 147 HZ2 LYS 19 1HZ LYS 19 10.241 -0.864 -3.817 148 HZ3 LYS 19 2HZ LYS 19 9.011 0.067 -3.152 149 H CYS 20 H CYS 20 3.785 -5.541 -4.003 150 HA CYS 20 HA CYS 20 3.437 -5.184 -1.121 151 HB2 CYS 20 2HB CYS 20 2.641 -7.536 -2.840 152 HB3 CYS 20 1HB CYS 20 2.550 -7.502 -1.083 153 H ASN 21 H ASN 21 4.622 -6.459 0.254 154 HA ASN 21 HA ASN 21 7.114 -7.490 -0.913 155 HB2 ASN 21 2HB ASN 21 8.171 -7.120 1.272 156 HB3 ASN 21 1HB ASN 21 7.487 -5.636 0.636 157 HD21 ASN 21 1HD2 ASN 21 7.612 -4.874 2.750 158 HD22 ASN 21 2HD2 ASN 21 6.424 -5.220 3.938 159 H ARG 22 H ARG 22 8.143 -8.992 0.833 160 HA ARG 22 HA ARG 22 6.946 -11.488 0.713 161 HB2 ARG 22 2HB ARG 22 8.718 -12.165 2.289 162 HB3 ARG 22 1HB ARG 22 9.297 -11.259 0.899 163 HG2 ARG 22 2HG ARG 22 9.370 -9.213 2.336 164 HG3 ARG 22 1HG ARG 22 8.923 -10.223 3.705 165 HD2 ARG 22 2HD ARG 22 10.913 -11.503 3.513 166 HD3 ARG 22 1HD ARG 22 11.305 -10.732 1.974 167 HE ARG 22 HE ARG 22 11.207 -8.672 3.704 168 HH11 ARG 22 1HH1 ARG 22 12.996 -11.736 3.645 169 HH12 ARG 22 2HH1 ARG 22 14.345 -11.118 4.498 170 HH21 ARG 22 1HH2 ARG 22 13.121 -7.827 4.856 171 HH22 ARG 22 2HH2 ARG 22 14.392 -8.899 5.209 172 H PHE 23 H PHE 23 6.169 -9.016 2.935 173 HA PHE 23 HA PHE 23 5.227 -10.966 4.904 174 HB2 PHE 23 2HB PHE 23 5.545 -7.965 5.129 175 HB3 PHE 23 1HB PHE 23 4.964 -9.021 6.411 176 HD1 PHE 23 2HD PHE 23 6.602 -11.064 6.902 177 HD2 PHE 23 1HD PHE 23 7.766 -7.341 5.189 178 HE1 PHE 23 2HE PHE 23 8.893 -11.443 7.648 179 HE2 PHE 23 1HE PHE 23 10.067 -7.714 5.939 180 HZ PHE 23 HZ PHE 23 10.644 -9.766 7.174 181 H ASN 24 H ASN 24 4.191 -9.713 2.197 182 HA ASN 24 HA ASN 24 2.238 -9.339 1.165 183 HB2 ASN 24 2HB ASN 24 0.946 -10.436 3.689 184 HB3 ASN 24 1HB ASN 24 0.120 -10.163 2.160 185 HD21 ASN 24 1HD2 ASN 24 0.617 -11.541 0.375 186 HD22 ASN 24 2HD2 ASN 24 1.359 -13.069 0.648 187 H LYS 25 H LYS 25 3.514 -7.397 2.828 188 HA LYS 25 HA LYS 25 1.287 -5.633 3.477 189 HB2 LYS 25 2HB LYS 25 4.227 -5.371 4.053 190 HB3 LYS 25 1HB LYS 25 2.988 -4.215 4.510 191 HG2 LYS 25 2HG LYS 25 1.933 -6.029 5.869 192 HG3 LYS 25 1HG LYS 25 3.365 -7.008 5.535 193 HD2 LYS 25 2HD LYS 25 4.753 -5.286 6.440 194 HD3 LYS 25 1HD LYS 25 3.344 -4.297 6.811 195 HE2 LYS 25 2HE LYS 25 2.500 -6.163 8.256 196 HE3 LYS 25 1HE LYS 25 4.042 -6.981 8.008 197 HZ1 LYS 25 3HZ LYS 25 5.162 -5.102 9.016 198 HZ2 LYS 25 1HZ LYS 25 4.014 -5.715 10.083 199 HZ3 LYS 25 2HZ LYS 25 3.694 -4.304 9.233 200 H CYS 26 H CYS 26 1.307 -3.573 2.527 201 HA CYS 26 HA CYS 26 2.442 -3.466 -0.104 202 HB2 CYS 26 2HB CYS 26 1.067 -1.309 1.492 203 HB3 CYS 26 1HB CYS 26 1.381 -1.293 -0.232 204 H VAL 27 H VAL 27 4.121 -2.150 -0.725 205 HA VAL 27 HA VAL 27 5.378 -0.593 1.371 206 HB VAL 27 HB VAL 27 7.646 -1.058 0.267 207 HG11 VAL 27 1HG1 VAL 27 7.946 -3.186 1.450 208 HG12 VAL 27 2HG1 VAL 27 6.196 -3.341 1.588 209 HG13 VAL 27 3HG1 VAL 27 7.030 -2.024 2.408 210 HG21 VAL 27 3HG2 VAL 27 6.092 -3.348 -0.932 211 HG22 VAL 27 1HG2 VAL 27 7.847 -3.163 -0.969 212 HG23 VAL 27 2HG2 VAL 27 6.819 -2.003 -1.813 213 H LEU 28 H LEU 28 6.971 1.009 0.438 214 HA LEU 28 HA LEU 28 5.291 2.764 -1.041 215 HB2 LEU 28 2HB LEU 28 6.860 3.387 0.833 216 HB3 LEU 28 1HB LEU 28 8.182 3.136 -0.285 217 HG LEU 28 HG LEU 28 7.105 4.913 -1.744 218 HD11 LEU 28 1HD1 LEU 28 5.583 5.460 0.794 219 HD12 LEU 28 2HD1 LEU 28 4.887 4.866 -0.706 220 HD13 LEU 28 3HD1 LEU 28 5.601 6.477 -0.644 221 HD21 LEU 28 3HD2 LEU 28 8.062 6.740 -0.427 222 HD22 LEU 28 1HD2 LEU 28 9.109 5.321 -0.418 223 HD23 LEU 28 2HD2 LEU 28 8.110 5.690 0.988 224 HA PRO 29 HA PRO 29 7.060 1.707 -5.051 225 HB2 PRO 29 2HB PRO 29 5.789 3.596 -6.490 226 HB3 PRO 29 1HB PRO 29 4.927 2.174 -5.878 227 HG2 PRO 29 2HG PRO 29 5.056 4.946 -4.770 228 HG3 PRO 29 1HG PRO 29 3.641 3.903 -4.988 229 HD2 PRO 29 2HD PRO 29 4.886 4.185 -2.614 230 HD3 PRO 29 1HD PRO 29 4.113 2.661 -3.096 231 H GLU 30 H GLU 30 8.032 3.158 -6.840 232 HA GLU 30 HA GLU 30 9.961 4.818 -5.538 233 HB2 GLU 30 2HB GLU 30 9.646 3.927 -8.404 234 HB3 GLU 30 1HB GLU 30 10.892 5.056 -7.904 235 HG2 GLU 30 2HG GLU 30 11.817 2.830 -8.065 236 HG3 GLU 30 1HG GLU 30 11.821 3.353 -6.389 237 H THR 31 H THR 31 7.061 5.188 -7.296 238 HA THR 31 HA THR 31 7.264 7.861 -8.086 239 HB THR 31 HB THR 31 4.753 6.379 -7.235 240 HG1 THR 31 1HG THR 31 6.430 6.198 -9.470 241 HG21 THR 31 3HG2 THR 31 4.507 8.803 -7.675 242 HG22 THR 31 1HG2 THR 31 3.645 7.821 -8.864 243 HG23 THR 31 2HG2 THR 31 5.190 8.558 -9.283 244 H GLY 32 H GLY 32 6.379 6.388 -5.008 245 HA2 GLY 32 2HA GLY 32 7.048 7.705 -3.033 246 HA3 GLY 32 1HA GLY 32 6.338 9.096 -3.840 247 H GLY 33 H GLY 33 4.888 9.555 -2.232 248 HA2 GLY 33 2HA GLY 33 2.813 7.520 -1.771 249 HA3 GLY 33 1HA GLY 33 3.434 8.557 -0.499 250 H GLY 34 H GLY 34 2.193 8.956 -3.782 251 HA2 GLY 34 2HA GLY 34 0.822 11.381 -2.863 252 HA3 GLY 34 1HA GLY 34 1.210 11.002 -4.537 Start of MODEL 2 1 H1 CYS 1 H CYS 1 0.218 8.224 -2.833 2 HA CYS 1 HA CYS 1 -1.950 6.703 -3.950 3 HB2 CYS 1 2HB CYS 1 0.080 5.697 -5.012 4 HB3 CYS 1 1HB CYS 1 0.791 5.476 -3.422 5 H ARG 2 H ARG 2 -2.599 5.044 -2.216 6 HA ARG 2 HA ARG 2 -2.600 6.426 0.248 7 HB2 ARG 2 2HB ARG 2 -4.551 5.077 -0.444 8 HB3 ARG 2 1HB ARG 2 -3.590 3.610 -0.339 9 HG2 ARG 2 2HG ARG 2 -3.583 3.615 1.961 10 HG3 ARG 2 1HG ARG 2 -3.858 5.351 2.061 11 HD2 ARG 2 2HD ARG 2 -5.841 4.183 2.791 12 HD3 ARG 2 1HD ARG 2 -6.166 5.005 1.275 13 HE ARG 2 HE ARG 2 -5.552 2.119 1.330 14 HH11 ARG 2 1HH1 ARG 2 -7.741 4.769 0.417 15 HH12 ARG 2 2HH1 ARG 2 -8.920 3.743 -0.223 16 HH21 ARG 2 1HH2 ARG 2 -7.118 0.786 0.475 17 HH22 ARG 2 2HH2 ARG 2 -8.574 1.378 -0.239 18 H ILE 3 H ILE 3 -1.816 5.788 2.274 19 HA ILE 3 HA ILE 3 0.798 5.621 2.467 20 HB ILE 3 HB ILE 3 0.583 4.765 4.819 21 HG12 ILE 3 2HG1 ILE 3 -2.381 4.765 4.151 22 HG13 ILE 3 1HG1 ILE 3 -1.408 3.340 4.479 23 HG21 ILE 3 1HG2 ILE 3 -0.586 6.771 5.594 24 HG22 ILE 3 2HG2 ILE 3 -1.162 7.047 3.950 25 HG23 ILE 3 3HG2 ILE 3 0.566 7.114 4.302 26 HD11 ILE 3 3HD1 ILE 3 -1.999 5.555 6.431 27 HD12 ILE 3 1HD1 ILE 3 -1.035 4.115 6.762 28 HD13 ILE 3 2HD1 ILE 3 -2.755 3.962 6.402 29 HA HYP 4 HA HYP 4 1.965 1.435 1.327 30 HB2 HYP 4 2HB HYP 4 4.658 2.336 2.157 31 HB3 HYP 4 1HB HYP 4 4.098 1.824 0.559 32 HG HYP 4 HG HYP 4 4.615 4.372 0.849 33 HD22 HYP 4 2HD1 HYP 4 3.458 4.582 2.991 34 HD23 HYP 4 1HD1 HYP 4 2.414 5.337 1.748 35 HD1 HYP 4 2HD HYP 4 1.980 3.939 0.168 36 H ASN 5 H ASN 5 0.883 1.686 3.854 37 HA ASN 5 HA ASN 5 2.528 -0.226 5.367 38 HB2 ASN 5 2HB ASN 5 1.108 2.196 6.483 39 HB3 ASN 5 1HB ASN 5 1.437 0.789 7.484 40 HD21 ASN 5 1HD2 ASN 5 2.791 3.604 5.955 41 HD22 ASN 5 2HD2 ASN 5 4.355 3.394 6.624 42 H GLN 6 H GLN 6 0.092 -0.029 3.529 43 HA GLN 6 HA GLN 6 -1.987 -1.130 5.214 44 HB2 GLN 6 2HB GLN 6 -1.880 -0.554 2.254 45 HB3 GLN 6 1HB GLN 6 -3.292 -1.145 3.106 46 HG2 GLN 6 2HG GLN 6 -1.928 1.475 3.653 47 HG3 GLN 6 1HG GLN 6 -3.346 1.273 2.628 48 HE21 GLN 6 1HE2 GLN 6 -5.275 0.701 3.557 49 HE22 GLN 6 2HE2 GLN 6 -5.631 0.979 5.226 50 H LYS 7 H LYS 7 -3.060 -3.110 4.381 51 HA LYS 7 HA LYS 7 -1.065 -5.029 3.590 52 HB2 LYS 7 2HB LYS 7 -2.917 -6.727 4.038 53 HB3 LYS 7 1HB LYS 7 -2.252 -5.898 5.428 54 HG2 LYS 7 2HG LYS 7 -4.567 -6.097 5.830 55 HG3 LYS 7 1HG LYS 7 -4.354 -4.431 5.338 56 HD2 LYS 7 2HD LYS 7 -4.993 -6.283 3.134 57 HD3 LYS 7 1HD LYS 7 -6.248 -6.166 4.361 58 HE2 LYS 7 2HE LYS 7 -5.003 -3.834 2.921 59 HE3 LYS 7 1HE LYS 7 -6.521 -4.590 2.448 60 HZ1 LYS 7 3HZ LYS 7 -7.502 -3.880 4.533 61 HZ2 LYS 7 1HZ LYS 7 -6.816 -2.556 3.756 62 HZ3 LYS 7 2HZ LYS 7 -6.035 -3.254 5.075 63 H CYS 8 H CYS 8 -1.300 -6.400 1.745 64 HA CYS 8 HA CYS 8 -3.376 -5.482 -0.051 65 HB2 CYS 8 2HB CYS 8 -1.677 -5.417 -1.912 66 HB3 CYS 8 1HB CYS 8 -1.569 -4.119 -0.731 67 H PHE 9 H PHE 9 -4.285 -6.982 -1.227 68 HA PHE 9 HA PHE 9 -2.985 -9.561 -1.502 69 HB2 PHE 9 2HB PHE 9 -5.847 -9.135 -0.577 70 HB3 PHE 9 1HB PHE 9 -5.128 -10.679 -0.983 71 HD1 PHE 9 2HD PHE 9 -3.429 -11.693 0.480 72 HD2 PHE 9 1HD PHE 9 -5.445 -8.103 1.568 73 HE1 PHE 9 2HE PHE 9 -2.702 -11.989 2.805 74 HE2 PHE 9 1HE PHE 9 -4.720 -8.405 3.901 75 HZ PHE 9 HZ PHE 9 -3.349 -10.341 4.520 76 H GLN 10 H GLN 10 -4.552 -10.840 -3.052 77 HA GLN 10 HA GLN 10 -4.629 -9.314 -5.448 78 HB2 GLN 10 2HB GLN 10 -5.694 -12.070 -4.836 79 HB3 GLN 10 1HB GLN 10 -5.573 -11.365 -6.441 80 HG2 GLN 10 2HG GLN 10 -3.159 -11.256 -6.235 81 HG3 GLN 10 1HG GLN 10 -3.255 -11.912 -4.603 82 HE21 GLN 10 1HE2 GLN 10 -3.748 -14.096 -4.326 83 HE22 GLN 10 2HE2 GLN 10 -3.658 -15.211 -5.629 84 H HIS 11 H HIS 11 -7.131 -10.776 -3.417 85 HA HIS 11 HA HIS 11 -9.209 -9.446 -4.927 86 HB2 HIS 11 2HB HIS 11 -9.348 -11.353 -2.585 87 HB3 HIS 11 1HB HIS 11 -10.758 -10.655 -3.367 88 HD1 HIS 11 1HD HIS 11 -8.742 -13.653 -3.473 89 HD2 HIS 11 2HD HIS 11 -10.721 -11.285 -6.273 90 HE1 HIS 11 1HE HIS 11 -9.102 -15.108 -5.480 91 H LEU 12 H LEU 12 -7.478 -8.992 -2.009 92 HA LEU 12 HA LEU 12 -9.307 -6.823 -1.316 93 HB2 LEU 12 2HB LEU 12 -7.165 -8.098 0.423 94 HB3 LEU 12 1HB LEU 12 -8.078 -6.685 0.874 95 HG LEU 12 HG LEU 12 -10.159 -8.117 0.783 96 HD11 LEU 12 1HD1 LEU 12 -9.351 -9.937 -0.597 97 HD12 LEU 12 2HD1 LEU 12 -9.896 -10.537 0.970 98 HD13 LEU 12 3HD1 LEU 12 -8.172 -10.375 0.638 99 HD21 LEU 12 3HD2 LEU 12 -9.729 -9.149 2.962 100 HD22 LEU 12 1HD2 LEU 12 -9.113 -7.500 2.874 101 HD23 LEU 12 2HD2 LEU 12 -8.002 -8.863 2.746 102 H ASP 13 H ASP 13 -8.694 -5.449 -2.802 103 HA ASP 13 HA ASP 13 -5.899 -4.716 -3.121 104 HB2 ASP 13 2HB ASP 13 -7.406 -5.104 -5.069 105 HB3 ASP 13 1HB ASP 13 -8.368 -3.729 -4.547 106 H ASP 14 H ASP 14 -5.159 -3.253 -1.716 107 HA ASP 14 HA ASP 14 -7.019 -1.154 -0.757 108 HB2 ASP 14 2HB ASP 14 -5.956 -2.834 0.902 109 HB3 ASP 14 1HB ASP 14 -4.468 -1.940 0.640 110 H CYS 15 H CYS 15 -3.579 -1.716 -1.443 111 HA CYS 15 HA CYS 15 -3.108 1.112 -1.767 112 HB2 CYS 15 2HB CYS 15 -1.284 -1.253 -2.129 113 HB3 CYS 15 1HB CYS 15 -0.768 0.424 -2.142 114 H CYS 16 H CYS 16 -2.939 2.173 -3.628 115 HA CYS 16 HA CYS 16 -3.957 1.214 -6.015 116 HB2 CYS 16 2HB CYS 16 -2.275 3.377 -6.563 117 HB3 CYS 16 1HB CYS 16 -4.013 3.401 -6.352 118 H SER 17 H SER 17 -0.732 1.171 -4.737 119 HA SER 17 HA SER 17 0.510 0.988 -7.220 120 HB2 SER 17 2HB SER 17 2.507 0.404 -5.723 121 HB3 SER 17 1HB SER 17 1.705 1.964 -5.475 122 HG SER 17 HG SER 17 2.021 0.933 -3.479 123 H ARG 18 H ARG 18 -0.674 -1.263 -4.828 124 HA ARG 18 HA ARG 18 -0.724 -3.495 -4.520 125 HB2 ARG 18 2HB ARG 18 -0.423 -3.636 -7.540 126 HB3 ARG 18 1HB ARG 18 -0.745 -5.028 -6.525 127 HG2 ARG 18 2HG ARG 18 -2.832 -4.481 -7.341 128 HG3 ARG 18 1HG ARG 18 -2.817 -3.700 -5.765 129 HD2 ARG 18 2HD ARG 18 -2.068 -1.605 -6.933 130 HD3 ARG 18 1HD ARG 18 -2.400 -2.438 -8.452 131 HE ARG 18 HE ARG 18 -4.544 -2.462 -6.560 132 HH11 ARG 18 1HH1 ARG 18 -3.227 -0.939 -9.463 133 HH12 ARG 18 2HH1 ARG 18 -4.566 0.073 -9.718 134 HH21 ARG 18 1HH2 ARG 18 -6.332 -1.121 -6.883 135 HH22 ARG 18 2HH2 ARG 18 -6.416 -0.008 -8.197 136 H LYS 19 H LYS 19 1.823 -2.013 -4.636 137 HA LYS 19 HA LYS 19 3.746 -4.043 -5.373 138 HB2 LYS 19 2HB LYS 19 4.111 -1.561 -5.757 139 HB3 LYS 19 1HB LYS 19 4.204 -1.376 -4.017 140 HG2 LYS 19 2HG LYS 19 6.160 -2.860 -3.968 141 HG3 LYS 19 1HG LYS 19 6.066 -3.014 -5.721 142 HD2 LYS 19 2HD LYS 19 6.408 -0.616 -5.980 143 HD3 LYS 19 1HD LYS 19 6.451 -0.420 -4.229 144 HE2 LYS 19 2HE LYS 19 8.444 -1.860 -4.136 145 HE3 LYS 19 1HE LYS 19 8.399 -2.010 -5.891 146 HZ1 LYS 19 3HZ LYS 19 8.728 0.546 -4.412 147 HZ2 LYS 19 1HZ LYS 19 8.730 0.360 -6.086 148 HZ3 LYS 19 2HZ LYS 19 9.979 -0.308 -5.178 149 H CYS 20 H CYS 20 3.741 -5.651 -4.021 150 HA CYS 20 HA CYS 20 3.346 -5.156 -1.165 151 HB2 CYS 20 2HB CYS 20 2.879 -7.642 -2.798 152 HB3 CYS 20 1HB CYS 20 2.569 -7.470 -1.073 153 H ASN 21 H ASN 21 4.703 -6.052 0.270 154 HA ASN 21 HA ASN 21 7.215 -7.083 -0.768 155 HB2 ASN 21 2HB ASN 21 8.060 -6.817 1.571 156 HB3 ASN 21 1HB ASN 21 7.432 -5.324 0.910 157 HD21 ASN 21 1HD2 ASN 21 7.246 -4.528 3.020 158 HD22 ASN 21 2HD2 ASN 21 5.994 -5.034 4.084 159 H ARG 22 H ARG 22 8.140 -8.789 0.964 160 HA ARG 22 HA ARG 22 6.716 -11.187 0.507 161 HB2 ARG 22 2HB ARG 22 8.455 -12.260 1.870 162 HB3 ARG 22 1HB ARG 22 9.122 -11.194 0.645 163 HG2 ARG 22 2HG ARG 22 9.387 -9.455 2.405 164 HG3 ARG 22 1HG ARG 22 8.871 -10.651 3.592 165 HD2 ARG 22 2HD ARG 22 10.746 -12.075 3.023 166 HD3 ARG 22 1HD ARG 22 11.202 -10.960 1.733 167 HE ARG 22 HE ARG 22 11.096 -9.749 4.308 168 HH11 ARG 22 1HH1 ARG 22 13.140 -11.634 2.119 169 HH12 ARG 22 2HH1 ARG 22 14.612 -11.034 2.706 170 HH21 ARG 22 1HH2 ARG 22 13.162 -8.892 5.161 171 HH22 ARG 22 2HH2 ARG 22 14.616 -9.429 4.472 172 H PHE 23 H PHE 23 6.016 -8.891 2.743 173 HA PHE 23 HA PHE 23 5.060 -10.803 4.729 174 HB2 PHE 23 2HB PHE 23 5.466 -7.824 4.873 175 HB3 PHE 23 1HB PHE 23 4.785 -8.804 6.165 176 HD1 PHE 23 2HD PHE 23 6.220 -10.706 7.058 177 HD2 PHE 23 1HD PHE 23 7.766 -7.508 4.720 178 HE1 PHE 23 2HE PHE 23 8.448 -11.189 7.893 179 HE2 PHE 23 1HE PHE 23 10.018 -7.980 5.560 180 HZ PHE 23 HZ PHE 23 10.369 -9.832 7.156 181 H ASN 24 H ASN 24 4.050 -9.481 1.985 182 HA ASN 24 HA ASN 24 2.098 -9.067 0.966 183 HB2 ASN 24 2HB ASN 24 0.892 -10.266 3.472 184 HB3 ASN 24 1HB ASN 24 -0.060 -9.822 2.060 185 HD21 ASN 24 1HD2 ASN 24 2.125 -12.095 3.437 186 HD22 ASN 24 2HD2 ASN 24 2.060 -13.258 2.169 187 H LYS 25 H LYS 25 3.382 -7.144 2.742 188 HA LYS 25 HA LYS 25 1.131 -5.337 3.264 189 HB2 LYS 25 2HB LYS 25 4.020 -5.223 4.174 190 HB3 LYS 25 1HB LYS 25 2.808 -4.009 4.528 191 HG2 LYS 25 2HG LYS 25 2.736 -6.871 5.471 192 HG3 LYS 25 1HG LYS 25 3.266 -5.491 6.430 193 HD2 LYS 25 2HD LYS 25 1.007 -4.490 6.130 194 HD3 LYS 25 1HD LYS 25 0.505 -5.970 5.313 195 HE2 LYS 25 2HE LYS 25 1.517 -5.765 8.149 196 HE3 LYS 25 1HE LYS 25 -0.162 -5.975 7.665 197 HZ1 LYS 25 3HZ LYS 25 2.032 -7.938 7.169 198 HZ2 LYS 25 1HZ LYS 25 0.417 -8.115 6.712 199 HZ3 LYS 25 2HZ LYS 25 0.838 -8.062 8.333 200 H CYS 26 H CYS 26 1.369 -3.210 2.406 201 HA CYS 26 HA CYS 26 2.543 -3.148 -0.189 202 HB2 CYS 26 2HB CYS 26 1.456 -0.877 1.468 203 HB3 CYS 26 1HB CYS 26 1.726 -0.870 -0.270 204 H VAL 27 H VAL 27 4.294 -1.930 -0.873 205 HA VAL 27 HA VAL 27 5.882 -0.637 1.204 206 HB VAL 27 HB VAL 27 7.941 -1.148 -0.257 207 HG11 VAL 27 1HG1 VAL 27 7.568 -2.210 1.888 208 HG12 VAL 27 2HG1 VAL 27 8.247 -3.363 0.740 209 HG13 VAL 27 3HG1 VAL 27 6.523 -3.409 1.130 210 HG21 VAL 27 3HG2 VAL 27 6.053 -3.221 -1.365 211 HG22 VAL 27 1HG2 VAL 27 7.799 -3.184 -1.622 212 HG23 VAL 27 2HG2 VAL 27 6.787 -1.883 -2.253 213 H LEU 28 H LEU 28 7.628 0.797 -0.014 214 HA LEU 28 HA LEU 28 6.210 3.031 -0.857 215 HB2 LEU 28 2HB LEU 28 8.428 3.115 0.156 216 HB3 LEU 28 1HB LEU 28 9.103 2.334 -1.263 217 HG LEU 28 HG LEU 28 8.431 4.351 -2.594 218 HD11 LEU 28 1HD1 LEU 28 6.710 5.183 -0.998 219 HD12 LEU 28 2HD1 LEU 28 7.891 6.381 -1.495 220 HD13 LEU 28 3HD1 LEU 28 8.023 5.635 0.093 221 HD21 LEU 28 3HD2 LEU 28 10.283 5.729 -1.792 222 HD22 LEU 28 1HD2 LEU 28 10.716 4.020 -1.845 223 HD23 LEU 28 2HD2 LEU 28 10.335 4.787 -0.301 224 HA PRO 29 HA PRO 29 5.654 1.863 -5.182 225 HB2 PRO 29 2HB PRO 29 4.172 4.014 -5.874 226 HB3 PRO 29 1HB PRO 29 3.500 2.674 -4.934 227 HG2 PRO 29 2HG PRO 29 4.489 5.334 -3.994 228 HG3 PRO 29 1HG PRO 29 3.027 4.452 -3.514 229 HD2 PRO 29 2HD PRO 29 5.313 4.457 -2.043 230 HD3 PRO 29 1HD PRO 29 4.183 3.092 -2.055 231 H GLU 30 H GLU 30 6.047 3.077 -7.273 232 HA GLU 30 HA GLU 30 8.653 4.212 -7.169 233 HB2 GLU 30 2HB GLU 30 6.824 4.350 -9.563 234 HB3 GLU 30 1HB GLU 30 8.578 4.334 -9.544 235 HG2 GLU 30 2HG GLU 30 6.698 2.052 -9.020 236 HG3 GLU 30 1HG GLU 30 7.871 2.229 -10.315 237 H THR 31 H THR 31 5.560 5.471 -6.964 238 HA THR 31 HA THR 31 4.823 7.433 -6.248 239 HB THR 31 HB THR 31 7.579 8.624 -6.714 240 HG1 THR 31 1HG THR 31 6.834 6.824 -5.001 241 HG21 THR 31 3HG2 THR 31 6.825 10.377 -5.170 242 HG22 THR 31 1HG2 THR 31 5.259 9.581 -5.010 243 HG23 THR 31 2HG2 THR 31 5.734 10.282 -6.552 244 H GLY 32 H GLY 32 3.359 8.155 -7.478 245 HA2 GLY 32 2HA GLY 32 4.048 9.689 -9.858 246 HA3 GLY 32 1HA GLY 32 2.937 8.330 -10.027 247 H GLY 33 H GLY 33 3.457 11.165 -8.009 248 HA2 GLY 33 2HA GLY 33 1.871 12.894 -7.708 249 HA3 GLY 33 1HA GLY 33 0.603 11.788 -8.228 250 H GLY 34 H GLY 34 0.397 9.813 -6.742 251 HA2 GLY 34 2HA GLY 34 1.230 9.854 -4.091 252 HA3 GLY 34 1HA GLY 34 -0.307 10.708 -4.180 Start of MODEL 3 1 H1 CYS 1 H CYS 1 1.366 8.037 -2.380 2 HA CYS 1 HA CYS 1 -1.367 8.651 -2.877 3 HB2 CYS 1 2HB CYS 1 -0.467 7.517 -5.041 4 HB3 CYS 1 1HB CYS 1 -0.364 6.050 -4.073 5 H ARG 2 H ARG 2 -2.046 5.699 -2.485 6 HA ARG 2 HA ARG 2 -2.405 5.474 0.173 7 HB2 ARG 2 2HB ARG 2 -3.371 3.932 -1.462 8 HB3 ARG 2 1HB ARG 2 -1.787 3.232 -1.763 9 HG2 ARG 2 2HG ARG 2 -2.950 1.735 -0.357 10 HG3 ARG 2 1HG ARG 2 -1.736 2.548 0.637 11 HD2 ARG 2 2HD ARG 2 -3.691 2.529 1.960 12 HD3 ARG 2 1HD ARG 2 -3.606 4.158 1.304 13 HE ARG 2 HE ARG 2 -5.271 2.083 0.054 14 HH11 ARG 2 1HH1 ARG 2 -5.055 5.336 1.488 15 HH12 ARG 2 2HH1 ARG 2 -6.694 5.668 1.204 16 HH21 ARG 2 1HH2 ARG 2 -7.478 2.561 -0.224 17 HH22 ARG 2 2HH2 ARG 2 -8.108 4.100 0.201 18 H ILE 3 H ILE 3 -1.227 5.343 1.854 19 HA ILE 3 HA ILE 3 1.581 5.213 1.903 20 HB ILE 3 HB ILE 3 1.329 5.156 4.349 21 HG12 ILE 3 2HG1 ILE 3 -1.648 4.892 3.841 22 HG13 ILE 3 1HG1 ILE 3 -0.617 3.572 4.375 23 HG21 ILE 3 1HG2 ILE 3 -0.594 7.023 2.980 24 HG22 ILE 3 2HG2 ILE 3 1.131 7.293 3.238 25 HG23 ILE 3 3HG2 ILE 3 0.030 7.222 4.615 26 HD11 ILE 3 3HD1 ILE 3 -1.857 4.538 6.220 27 HD12 ILE 3 1HD1 ILE 3 -1.154 6.119 5.879 28 HD13 ILE 3 2HD1 ILE 3 -0.124 4.793 6.425 29 HA HYP 4 HA HYP 4 2.193 0.848 2.244 30 HB2 HYP 4 2HB HYP 4 4.535 0.714 3.527 31 HB3 HYP 4 1HB HYP 4 4.417 1.392 1.897 32 HG HYP 4 HG HYP 4 4.719 2.787 4.498 33 HD22 HYP 4 2HD1 HYP 4 3.148 4.390 3.982 34 HD23 HYP 4 1HD1 HYP 4 3.593 4.388 2.270 35 HD1 HYP 4 2HD HYP 4 5.603 4.275 2.922 36 H ASN 5 H ASN 5 2.905 -0.816 3.932 37 HA ASN 5 HA ASN 5 2.706 -1.954 5.853 38 HB2 ASN 5 2HB ASN 5 3.641 0.065 7.046 39 HB3 ASN 5 1HB ASN 5 1.994 0.638 7.272 40 HD21 ASN 5 1HD2 ASN 5 2.186 0.601 9.509 41 HD22 ASN 5 2HD2 ASN 5 2.212 -0.872 10.413 42 H GLN 6 H GLN 6 0.320 -0.470 4.298 43 HA GLN 6 HA GLN 6 -1.905 -1.484 5.826 44 HB2 GLN 6 2HB GLN 6 -1.746 -0.634 2.908 45 HB3 GLN 6 1HB GLN 6 -3.222 -0.944 3.804 46 HG2 GLN 6 2HG GLN 6 -1.263 1.252 4.448 47 HG3 GLN 6 1HG GLN 6 -2.717 1.462 3.483 48 HE21 GLN 6 1HE2 GLN 6 -3.602 2.948 4.902 49 HE22 GLN 6 2HE2 GLN 6 -4.203 2.513 6.453 50 H LYS 7 H LYS 7 -2.804 -3.572 5.509 51 HA LYS 7 HA LYS 7 -0.978 -5.327 4.102 52 HB2 LYS 7 2HB LYS 7 -2.022 -5.935 6.375 53 HB3 LYS 7 1HB LYS 7 -3.497 -6.260 5.438 54 HG2 LYS 7 2HG LYS 7 -2.500 -7.931 4.219 55 HG3 LYS 7 1HG LYS 7 -0.885 -7.466 4.736 56 HD2 LYS 7 2HD LYS 7 -1.486 -8.132 7.031 57 HD3 LYS 7 1HD LYS 7 -3.046 -8.714 6.405 58 HE2 LYS 7 2HE LYS 7 -1.945 -10.160 4.887 59 HE3 LYS 7 1HE LYS 7 -0.382 -9.515 5.377 60 HZ1 LYS 7 3HZ LYS 7 -2.219 -11.108 7.105 61 HZ2 LYS 7 1HZ LYS 7 -0.715 -10.494 7.583 62 HZ3 LYS 7 2HZ LYS 7 -0.818 -11.675 6.384 63 H CYS 8 H CYS 8 -1.356 -6.533 2.370 64 HA CYS 8 HA CYS 8 -3.858 -6.069 0.927 65 HB2 CYS 8 2HB CYS 8 -2.411 -6.218 -1.171 66 HB3 CYS 8 1HB CYS 8 -2.210 -4.749 -0.222 67 H PHE 9 H PHE 9 -4.519 -7.874 -0.334 68 HA PHE 9 HA PHE 9 -3.093 -10.344 0.301 69 HB2 PHE 9 2HB PHE 9 -6.107 -9.946 0.408 70 HB3 PHE 9 1HB PHE 9 -5.316 -11.508 0.438 71 HD1 PHE 9 1HD PHE 9 -5.872 -8.379 2.387 72 HD2 PHE 9 2HD PHE 9 -4.337 -12.362 2.424 73 HE1 PHE 9 1HE PHE 9 -5.759 -8.309 4.814 74 HE2 PHE 9 2HE PHE 9 -4.214 -12.279 4.874 75 HZ PHE 9 HZ PHE 9 -4.933 -10.252 6.075 76 H GLN 10 H GLN 10 -4.232 -12.139 -1.202 77 HA GLN 10 HA GLN 10 -3.234 -11.526 -3.733 78 HB2 GLN 10 2HB GLN 10 -5.073 -13.790 -2.957 79 HB3 GLN 10 1HB GLN 10 -4.142 -13.704 -4.447 80 HG2 GLN 10 2HG GLN 10 -3.001 -13.787 -1.657 81 HG3 GLN 10 1HG GLN 10 -3.056 -15.132 -2.792 82 HE21 GLN 10 1HE2 GLN 10 -2.354 -13.470 -5.117 83 HE22 GLN 10 2HE2 GLN 10 -0.691 -13.123 -4.930 84 H HIS 11 H HIS 11 -6.570 -11.588 -2.633 85 HA HIS 11 HA HIS 11 -7.362 -10.491 -5.237 86 HB2 HIS 11 2HB HIS 11 -9.014 -11.936 -3.154 87 HB3 HIS 11 1HB HIS 11 -9.676 -11.182 -4.597 88 HD1 HIS 11 1HD HIS 11 -8.721 -14.406 -3.434 89 HD2 HIS 11 2HD HIS 11 -8.267 -12.338 -7.001 90 HE1 HIS 11 1HE HIS 11 -8.316 -16.154 -5.185 91 H LEU 12 H LEU 12 -6.297 -9.237 -2.617 92 HA LEU 12 HA LEU 12 -8.404 -7.228 -2.482 93 HB2 LEU 12 2HB LEU 12 -6.717 -8.215 -0.184 94 HB3 LEU 12 1HB LEU 12 -7.550 -6.693 -0.147 95 HG LEU 12 HG LEU 12 -9.720 -7.921 -0.424 96 HD11 LEU 12 1HD1 LEU 12 -8.870 -9.995 -1.376 97 HD12 LEU 12 2HD1 LEU 12 -9.846 -10.263 0.062 98 HD13 LEU 12 3HD1 LEU 12 -8.090 -10.378 0.162 99 HD21 LEU 12 3HD2 LEU 12 -9.827 -8.635 1.896 100 HD22 LEU 12 1HD2 LEU 12 -8.975 -7.101 1.726 101 HD23 LEU 12 2HD2 LEU 12 -8.068 -8.592 1.995 102 H ASP 13 H ASP 13 -7.750 -5.684 -3.682 103 HA ASP 13 HA ASP 13 -5.129 -4.553 -3.138 104 HB2 ASP 13 2HB ASP 13 -4.810 -5.484 -5.283 105 HB3 ASP 13 1HB ASP 13 -6.405 -4.971 -5.833 106 H ASP 14 H ASP 14 -5.335 -2.762 -2.315 107 HA ASP 14 HA ASP 14 -7.298 -0.815 -3.265 108 HB2 ASP 14 2HB ASP 14 -8.107 -1.713 -1.117 109 HB3 ASP 14 1HB ASP 14 -6.529 -1.470 -0.392 110 H CYS 15 H CYS 15 -4.493 -1.549 -3.825 111 HA CYS 15 HA CYS 15 -2.983 0.648 -2.668 112 HB2 CYS 15 2HB CYS 15 -2.157 -1.798 -4.200 113 HB3 CYS 15 1HB CYS 15 -1.055 -0.586 -3.552 114 H CYS 16 H CYS 16 -1.987 2.116 -3.989 115 HA CYS 16 HA CYS 16 -3.091 2.503 -6.625 116 HB2 CYS 16 2HB CYS 16 -0.777 3.986 -5.384 117 HB3 CYS 16 1HB CYS 16 -1.939 4.580 -6.569 118 H SER 17 H SER 17 -0.054 1.483 -5.136 119 HA SER 17 HA SER 17 1.461 1.357 -7.520 120 HB2 SER 17 2HB SER 17 2.959 0.192 -5.773 121 HB3 SER 17 1HB SER 17 2.581 1.906 -5.554 122 HG SER 17 HG SER 17 2.248 0.607 -3.628 123 H ARG 18 H ARG 18 -0.714 -0.698 -5.764 124 HA ARG 18 HA ARG 18 -1.197 -2.890 -5.642 125 HB2 ARG 18 2HB ARG 18 -0.376 -2.621 -8.525 126 HB3 ARG 18 1HB ARG 18 -1.210 -4.037 -7.874 127 HG2 ARG 18 2HG ARG 18 -3.089 -2.730 -7.251 128 HG3 ARG 18 1HG ARG 18 -2.245 -1.240 -7.652 129 HD2 ARG 18 2HD ARG 18 -2.920 -3.401 -9.594 130 HD3 ARG 18 1HD ARG 18 -3.909 -1.963 -9.299 131 HE ARG 18 HE ARG 18 -1.281 -2.061 -10.578 132 HH11 ARG 18 1HH1 ARG 18 -4.052 -0.110 -9.525 133 HH12 ARG 18 2HH1 ARG 18 -3.731 1.188 -10.569 134 HH21 ARG 18 1HH2 ARG 18 -0.856 -0.278 -12.054 135 HH22 ARG 18 2HH2 ARG 18 -1.880 1.086 -12.064 136 H LYS 19 H LYS 19 1.406 -2.119 -4.864 137 HA LYS 19 HA LYS 19 3.008 -4.444 -5.575 138 HB2 LYS 19 2HB LYS 19 3.854 -2.111 -6.088 139 HB3 LYS 19 1HB LYS 19 3.909 -1.851 -4.366 140 HG2 LYS 19 2HG LYS 19 5.559 -3.545 -4.060 141 HG3 LYS 19 1HG LYS 19 5.437 -4.036 -5.752 142 HD2 LYS 19 2HD LYS 19 6.218 -1.819 -6.442 143 HD3 LYS 19 1HD LYS 19 6.371 -1.352 -4.748 144 HE2 LYS 19 2HE LYS 19 8.045 -3.053 -4.396 145 HE3 LYS 19 1HE LYS 19 7.828 -3.646 -6.041 146 HZ1 LYS 19 3HZ LYS 19 9.768 -2.250 -5.887 147 HZ2 LYS 19 1HZ LYS 19 8.865 -0.947 -5.304 148 HZ3 LYS 19 2HZ LYS 19 8.609 -1.509 -6.855 149 H CYS 20 H CYS 20 3.259 -5.885 -4.040 150 HA CYS 20 HA CYS 20 2.872 -5.090 -1.250 151 HB2 CYS 20 2HB CYS 20 2.297 -7.742 -2.602 152 HB3 CYS 20 1HB CYS 20 2.182 -7.455 -0.871 153 H ASN 21 H ASN 21 4.452 -5.687 0.155 154 HA ASN 21 HA ASN 21 6.901 -6.679 -1.064 155 HB2 ASN 21 2HB ASN 21 8.078 -6.029 1.001 156 HB3 ASN 21 1HB ASN 21 7.117 -4.695 0.398 157 HD21 ASN 21 1HD2 ASN 21 7.301 -3.772 2.497 158 HD22 ASN 21 2HD2 ASN 21 6.312 -4.314 3.788 159 H ARG 22 H ARG 22 8.212 -7.932 0.801 160 HA ARG 22 HA ARG 22 7.354 -10.601 0.684 161 HB2 ARG 22 2HB ARG 22 9.277 -11.079 2.135 162 HB3 ARG 22 1HB ARG 22 9.685 -10.029 0.784 163 HG2 ARG 22 2HG ARG 22 9.543 -8.081 2.307 164 HG3 ARG 22 1HG ARG 22 9.237 -9.189 3.640 165 HD2 ARG 22 2HD ARG 22 11.398 -10.223 3.327 166 HD3 ARG 22 1HD ARG 22 11.687 -9.231 1.896 167 HE ARG 22 HE ARG 22 11.140 -7.698 4.241 168 HH11 ARG 22 1HH1 ARG 22 13.700 -9.344 2.460 169 HH12 ARG 22 2HH1 ARG 22 14.956 -8.375 3.066 170 HH21 ARG 22 1HH2 ARG 22 12.850 -6.362 5.102 171 HH22 ARG 22 2HH2 ARG 22 14.453 -6.640 4.623 172 H PHE 23 H PHE 23 6.156 -8.302 2.786 173 HA PHE 23 HA PHE 23 5.516 -10.371 4.749 174 HB2 PHE 23 2HB PHE 23 5.734 -7.384 5.170 175 HB3 PHE 23 1HB PHE 23 5.159 -8.522 6.379 176 HD1 PHE 23 2HD PHE 23 6.881 -10.604 6.668 177 HD2 PHE 23 1HD PHE 23 7.886 -6.664 5.417 178 HE1 PHE 23 2HE PHE 23 9.184 -10.952 7.424 179 HE2 PHE 23 1HE PHE 23 10.197 -7.016 6.179 180 HZ PHE 23 HZ PHE 23 10.847 -9.162 7.180 181 H ASN 24 H ASN 24 4.218 -9.311 2.130 182 HA ASN 24 HA ASN 24 2.116 -9.066 1.295 183 HB2 ASN 24 2HB ASN 24 1.299 -10.020 4.052 184 HB3 ASN 24 1HB ASN 24 0.104 -9.556 2.859 185 HD21 ASN 24 1HD2 ASN 24 3.088 -11.320 2.141 186 HD22 ASN 24 2HD2 ASN 24 2.297 -12.781 1.724 187 H LYS 25 H LYS 25 3.544 -6.935 2.841 188 HA LYS 25 HA LYS 25 1.348 -5.215 3.606 189 HB2 LYS 25 2HB LYS 25 4.315 -4.789 3.635 190 HB3 LYS 25 1HB LYS 25 3.130 -3.600 4.146 191 HG2 LYS 25 2HG LYS 25 2.387 -5.102 5.919 192 HG3 LYS 25 1HG LYS 25 3.584 -6.300 5.401 193 HD2 LYS 25 2HD LYS 25 5.333 -4.673 5.732 194 HD3 LYS 25 1HD LYS 25 4.144 -3.505 6.307 195 HE2 LYS 25 2HE LYS 25 4.720 -6.168 7.607 196 HE3 LYS 25 1HE LYS 25 5.361 -4.630 8.175 197 HZ1 LYS 25 3HZ LYS 25 2.484 -5.415 8.093 198 HZ2 LYS 25 1HZ LYS 25 3.046 -3.888 8.526 199 HZ3 LYS 25 2HZ LYS 25 3.432 -5.219 9.459 200 H CYS 26 H CYS 26 0.641 -3.624 2.359 201 HA CYS 26 HA CYS 26 1.378 -3.395 -0.372 202 HB2 CYS 26 2HB CYS 26 -0.896 -2.949 0.498 203 HB3 CYS 26 1HB CYS 26 -0.261 -1.614 1.444 204 H VAL 27 H VAL 27 2.821 -1.932 -1.243 205 HA VAL 27 HA VAL 27 4.025 -0.188 0.723 206 HB VAL 27 HB VAL 27 6.212 -0.439 -0.516 207 HG11 VAL 27 1HG1 VAL 27 6.748 -2.539 0.661 208 HG12 VAL 27 2HG1 VAL 27 5.024 -2.834 0.888 209 HG13 VAL 27 3HG1 VAL 27 5.792 -1.447 1.661 210 HG21 VAL 27 3HG2 VAL 27 4.804 -2.867 -1.621 211 HG22 VAL 27 1HG2 VAL 27 6.530 -2.546 -1.742 212 HG23 VAL 27 2HG2 VAL 27 5.378 -1.484 -2.557 213 H LEU 28 H LEU 28 4.988 1.677 0.070 214 HA LEU 28 HA LEU 28 3.364 3.169 -1.767 215 HB2 LEU 28 2HB LEU 28 4.154 4.001 0.421 216 HB3 LEU 28 1HB LEU 28 5.802 3.933 -0.151 217 HG LEU 28 HG LEU 28 5.085 5.638 -1.918 218 HD11 LEU 28 1HD1 LEU 28 3.164 7.016 -1.400 219 HD12 LEU 28 2HD1 LEU 28 2.783 5.997 -0.019 220 HD13 LEU 28 3HD1 LEU 28 2.652 5.344 -1.646 221 HD21 LEU 28 3HD2 LEU 28 6.495 6.204 -0.033 222 HD22 LEU 28 1HD2 LEU 28 5.071 6.401 0.990 223 HD23 LEU 28 2HD2 LEU 28 5.345 7.502 -0.358 224 HA PRO 29 HA PRO 29 6.128 2.859 -5.342 225 HB2 PRO 29 2HB PRO 29 5.406 5.713 -5.740 226 HB3 PRO 29 1HB PRO 29 5.274 4.364 -6.869 227 HG2 PRO 29 2HG PRO 29 3.140 5.425 -5.680 228 HG3 PRO 29 1HG PRO 29 3.242 3.697 -6.051 229 HD2 PRO 29 2HD PRO 29 3.502 5.124 -3.467 230 HD3 PRO 29 1HD PRO 29 2.867 3.497 -3.797 231 H GLU 30 H GLU 30 8.209 2.878 -4.776 232 HA GLU 30 HA GLU 30 9.289 4.994 -3.134 233 HB2 GLU 30 2HB GLU 30 11.271 3.646 -2.891 234 HB3 GLU 30 1HB GLU 30 9.869 2.624 -2.671 235 HG2 GLU 30 2HG GLU 30 11.576 2.757 -5.158 236 HG3 GLU 30 1HG GLU 30 11.640 1.507 -3.923 237 H THR 31 H THR 31 9.302 4.072 -6.442 238 HA THR 31 HA THR 31 11.644 5.592 -7.086 239 HB THR 31 HB THR 31 9.603 4.427 -9.017 240 HG1 THR 31 1HG THR 31 10.324 2.800 -7.531 241 HG21 THR 31 3HG2 THR 31 12.584 4.911 -9.246 242 HG22 THR 31 1HG2 THR 31 11.325 5.911 -9.969 243 HG23 THR 31 2HG2 THR 31 11.539 4.244 -10.502 244 H GLY 32 H GLY 32 8.251 6.131 -6.807 245 HA2 GLY 32 2HA GLY 32 8.277 8.817 -6.621 246 HA3 GLY 32 1HA GLY 32 8.230 8.549 -8.359 247 H GLY 33 H GLY 33 6.281 9.464 -6.094 248 HA2 GLY 33 2HA GLY 33 3.971 9.455 -7.160 249 HA3 GLY 33 1HA GLY 33 4.090 7.716 -6.946 250 H GLY 34 H GLY 34 2.753 10.345 -5.711 251 HA2 GLY 34 2HA GLY 34 2.935 9.411 -2.932 252 HA3 GLY 34 1HA GLY 34 2.383 11.010 -3.433 Start of MODEL 4 1 H1 CYS 1 H CYS 1 -0.934 6.869 -3.711 2 HA CYS 1 HA CYS 1 -2.133 8.967 -2.233 3 HB2 CYS 1 2HB CYS 1 -4.102 7.072 -3.093 4 HB3 CYS 1 1HB CYS 1 -3.770 8.662 -3.802 5 H ARG 2 H ARG 2 -2.190 5.648 -2.043 6 HA ARG 2 HA ARG 2 -3.481 5.553 0.606 7 HB2 ARG 2 2HB ARG 2 -4.418 4.164 -1.245 8 HB3 ARG 2 1HB ARG 2 -2.853 3.411 -1.439 9 HG2 ARG 2 2HG ARG 2 -4.352 1.923 -0.286 10 HG3 ARG 2 1HG ARG 2 -3.058 2.452 0.793 11 HD2 ARG 2 2HD ARG 2 -4.488 3.818 2.023 12 HD3 ARG 2 1HD ARG 2 -5.732 3.825 0.765 13 HE ARG 2 HE ARG 2 -5.865 1.333 1.295 14 HH11 ARG 2 1HH1 ARG 2 -5.393 3.837 3.774 15 HH12 ARG 2 2HH1 ARG 2 -5.976 2.865 5.038 16 HH21 ARG 2 1HH2 ARG 2 -6.696 0.053 2.995 17 HH22 ARG 2 2HH2 ARG 2 -6.757 0.667 4.591 18 H ILE 3 H ILE 3 -2.062 5.370 2.273 19 HA ILE 3 HA ILE 3 0.660 5.293 1.922 20 HB ILE 3 HB ILE 3 0.912 4.697 4.325 21 HG12 ILE 3 2HG1 ILE 3 -2.114 4.675 4.415 22 HG13 ILE 3 1HG1 ILE 3 -1.099 3.241 4.503 23 HG21 ILE 3 1HG2 ILE 3 -1.038 6.898 3.742 24 HG22 ILE 3 2HG2 ILE 3 0.725 6.996 3.706 25 HG23 ILE 3 3HG2 ILE 3 -0.115 6.718 5.232 26 HD11 ILE 3 3HD1 ILE 3 -1.096 5.513 6.476 27 HD12 ILE 3 1HD1 ILE 3 -0.109 4.056 6.571 28 HD13 ILE 3 2HD1 ILE 3 -1.864 3.941 6.707 29 HA HYP 4 HA HYP 4 1.228 0.970 1.025 30 HB2 HYP 4 2HB HYP 4 4.088 1.807 1.050 31 HB3 HYP 4 1HB HYP 4 3.182 0.959 -0.213 32 HG HYP 4 HG HYP 4 3.727 3.456 -0.674 33 HD22 HYP 4 2HD1 HYP 4 3.123 4.289 1.554 34 HD23 HYP 4 1HD1 HYP 4 1.752 4.722 0.495 35 HD1 HYP 4 2HD HYP 4 1.090 3.437 -0.778 36 H ASN 5 H ASN 5 0.614 1.192 3.500 37 HA ASN 5 HA ASN 5 2.682 -0.301 4.976 38 HB2 ASN 5 2HB ASN 5 0.939 1.874 6.196 39 HB3 ASN 5 1HB ASN 5 2.083 0.867 7.067 40 HD21 ASN 5 1HD2 ASN 5 4.326 1.223 6.701 41 HD22 ASN 5 2HD2 ASN 5 4.899 2.739 6.129 42 H GLN 6 H GLN 6 0.001 -0.552 3.474 43 HA GLN 6 HA GLN 6 -1.689 -1.674 5.571 44 HB2 GLN 6 2HB GLN 6 -2.289 -1.158 2.656 45 HB3 GLN 6 1HB GLN 6 -3.432 -1.679 3.884 46 HG2 GLN 6 2HG GLN 6 -1.989 0.961 3.836 47 HG3 GLN 6 1HG GLN 6 -3.660 0.693 3.361 48 HE21 GLN 6 1HE2 GLN 6 -2.575 2.401 5.397 49 HE22 GLN 6 2HE2 GLN 6 -3.306 1.934 6.883 50 H LYS 7 H LYS 7 -2.734 -3.730 5.049 51 HA LYS 7 HA LYS 7 -0.821 -5.636 4.036 52 HB2 LYS 7 2HB LYS 7 -3.524 -5.930 5.334 53 HB3 LYS 7 1HB LYS 7 -2.545 -7.290 4.814 54 HG2 LYS 7 2HG LYS 7 -1.620 -5.223 6.797 55 HG3 LYS 7 1HG LYS 7 -2.405 -6.728 7.267 56 HD2 LYS 7 2HD LYS 7 0.138 -6.554 5.640 57 HD3 LYS 7 1HD LYS 7 0.096 -6.795 7.384 58 HE2 LYS 7 2HE LYS 7 -1.071 -8.641 5.284 59 HE3 LYS 7 1HE LYS 7 0.402 -8.906 6.202 60 HZ1 LYS 7 3HZ LYS 7 -0.901 -9.007 8.228 61 HZ2 LYS 7 1HZ LYS 7 -1.449 -10.140 7.116 62 HZ3 LYS 7 2HZ LYS 7 -2.329 -8.735 7.373 63 H CYS 8 H CYS 8 -0.942 -6.652 2.161 64 HA CYS 8 HA CYS 8 -3.396 -6.499 0.630 65 HB2 CYS 8 2HB CYS 8 -2.076 -5.926 -1.403 66 HB3 CYS 8 1HB CYS 8 -2.114 -4.649 -0.192 67 H PHE 9 H PHE 9 -3.700 -8.116 -0.718 68 HA PHE 9 HA PHE 9 -1.799 -10.353 -0.718 69 HB2 PHE 9 2HB PHE 9 -4.833 -10.431 -0.545 70 HB3 PHE 9 1HB PHE 9 -3.826 -11.842 -0.807 71 HD1 PHE 9 2HD PHE 9 -2.489 -12.778 0.994 72 HD2 PHE 9 1HD PHE 9 -4.963 -9.366 1.652 73 HE1 PHE 9 2HE PHE 9 -2.278 -13.089 3.423 74 HE2 PHE 9 1HE PHE 9 -4.750 -9.681 4.077 75 HZ PHE 9 HZ PHE 9 -3.410 -11.539 4.965 76 H GLN 10 H GLN 10 -3.207 -11.906 -2.682 77 HA GLN 10 HA GLN 10 -2.516 -10.491 -4.979 78 HB2 GLN 10 2HB GLN 10 -2.223 -12.877 -4.753 79 HB3 GLN 10 1HB GLN 10 -3.942 -13.084 -4.492 80 HG2 GLN 10 2HG GLN 10 -3.259 -13.731 -6.661 81 HG3 GLN 10 1HG GLN 10 -4.423 -12.399 -6.700 82 HE21 GLN 10 1HE2 GLN 10 -0.988 -12.001 -6.013 83 HE22 GLN 10 2HE2 GLN 10 -0.614 -11.143 -7.460 84 H HIS 11 H HIS 11 -5.597 -11.486 -3.538 85 HA HIS 11 HA HIS 11 -6.929 -9.913 -5.605 86 HB2 HIS 11 2HB HIS 11 -7.971 -12.147 -3.873 87 HB3 HIS 11 1HB HIS 11 -8.992 -11.191 -4.939 88 HD1 HIS 11 1HD HIS 11 -6.775 -14.157 -4.949 89 HD2 HIS 11 2HD HIS 11 -8.268 -11.435 -7.726 90 HE1 HIS 11 1HE HIS 11 -6.479 -15.225 -7.198 91 H LEU 12 H LEU 12 -5.997 -9.640 -2.481 92 HA LEU 12 HA LEU 12 -8.137 -7.708 -1.923 93 HB2 LEU 12 2HB LEU 12 -6.415 -9.176 0.091 94 HB3 LEU 12 1HB LEU 12 -7.508 -7.881 0.491 95 HG LEU 12 HG LEU 12 -9.389 -9.389 -0.330 96 HD11 LEU 12 1HD1 LEU 12 -8.964 -11.789 -0.343 97 HD12 LEU 12 2HD1 LEU 12 -7.239 -11.487 -0.153 98 HD13 LEU 12 3HD1 LEU 12 -8.067 -10.967 -1.621 99 HD21 LEU 12 3HD2 LEU 12 -7.752 -10.253 2.046 100 HD22 LEU 12 1HD2 LEU 12 -9.449 -10.645 1.771 101 HD23 LEU 12 2HD2 LEU 12 -8.961 -8.969 2.021 102 H ASP 13 H ASP 13 -7.201 -5.938 -2.872 103 HA ASP 13 HA ASP 13 -5.011 -4.789 -1.434 104 HB2 ASP 13 2HB ASP 13 -3.578 -4.425 -3.306 105 HB3 ASP 13 1HB ASP 13 -3.927 -6.150 -3.279 106 H ASP 14 H ASP 14 -5.238 -2.666 -1.407 107 HA ASP 14 HA ASP 14 -6.860 -1.421 -3.466 108 HB2 ASP 14 2HB ASP 14 -8.045 0.010 -1.852 109 HB3 ASP 14 1HB ASP 14 -8.369 -1.691 -1.595 110 H CYS 15 H CYS 15 -3.962 -1.500 -2.085 111 HA CYS 15 HA CYS 15 -3.280 1.268 -1.936 112 HB2 CYS 15 2HB CYS 15 -1.602 -1.208 -2.324 113 HB3 CYS 15 1HB CYS 15 -0.887 0.381 -2.156 114 H CYS 16 H CYS 16 -2.808 2.724 -3.566 115 HA CYS 16 HA CYS 16 -3.239 2.217 -6.264 116 HB2 CYS 16 2HB CYS 16 -1.293 4.258 -5.225 117 HB3 CYS 16 1HB CYS 16 -2.228 4.322 -6.706 118 H SER 17 H SER 17 -0.356 1.921 -4.285 119 HA SER 17 HA SER 17 1.568 1.763 -6.216 120 HB2 SER 17 2HB SER 17 2.585 0.374 -4.168 121 HB3 SER 17 1HB SER 17 2.392 2.132 -4.130 122 HG SER 17 HG SER 17 1.371 1.628 -2.380 123 H ARG 18 H ARG 18 -0.582 -0.666 -4.871 124 HA ARG 18 HA ARG 18 -1.127 -2.778 -5.388 125 HB2 ARG 18 2HB ARG 18 -1.179 -1.270 -7.689 126 HB3 ARG 18 1HB ARG 18 -0.177 -2.627 -8.179 127 HG2 ARG 18 2HG ARG 18 -2.898 -2.913 -6.923 128 HG3 ARG 18 1HG ARG 18 -2.612 -2.894 -8.661 129 HD2 ARG 18 2HD ARG 18 -1.424 -4.909 -8.587 130 HD3 ARG 18 1HD ARG 18 -1.210 -4.789 -6.836 131 HE ARG 18 HE ARG 18 -3.723 -4.977 -6.811 132 HH11 ARG 18 1HH1 ARG 18 -1.803 -6.630 -9.266 133 HH12 ARG 18 2HH1 ARG 18 -2.739 -8.051 -9.275 134 HH21 ARG 18 1HH2 ARG 18 -4.939 -6.892 -6.728 135 HH22 ARG 18 2HH2 ARG 18 -4.624 -8.217 -7.766 136 H LYS 19 H LYS 19 1.642 -2.313 -4.464 137 HA LYS 19 HA LYS 19 2.841 -4.756 -5.558 138 HB2 LYS 19 2HB LYS 19 4.003 -2.666 -6.332 139 HB3 LYS 19 1HB LYS 19 4.335 -2.284 -4.651 140 HG2 LYS 19 2HG LYS 19 5.659 -4.342 -4.458 141 HG3 LYS 19 1HG LYS 19 5.334 -4.688 -6.159 142 HD2 LYS 19 2HD LYS 19 6.415 -2.575 -6.780 143 HD3 LYS 19 1HD LYS 19 6.793 -2.273 -5.087 144 HE2 LYS 19 2HE LYS 19 8.713 -3.165 -6.269 145 HE3 LYS 19 1HE LYS 19 8.167 -4.304 -5.046 146 HZ1 LYS 19 3HZ LYS 19 8.730 -5.320 -7.189 147 HZ2 LYS 19 1HZ LYS 19 7.514 -4.458 -7.939 148 HZ3 LYS 19 2HZ LYS 19 7.130 -5.633 -6.777 149 H CYS 20 H CYS 20 3.429 -6.194 -4.007 150 HA CYS 20 HA CYS 20 3.152 -5.303 -1.212 151 HB2 CYS 20 2HB CYS 20 2.479 -7.999 -2.386 152 HB3 CYS 20 1HB CYS 20 2.276 -7.516 -0.707 153 H ASN 21 H ASN 21 4.690 -5.992 0.214 154 HA ASN 21 HA ASN 21 7.005 -7.340 -0.949 155 HB2 ASN 21 2HB ASN 21 8.297 -6.685 0.967 156 HB3 ASN 21 1HB ASN 21 7.282 -5.307 0.602 157 HD21 ASN 21 1HD2 ASN 21 5.720 -4.670 2.141 158 HD22 ASN 21 2HD2 ASN 21 5.727 -5.346 3.727 159 H ARG 22 H ARG 22 8.061 -8.913 0.926 160 HA ARG 22 HA ARG 22 6.559 -11.246 0.716 161 HB2 ARG 22 2HB ARG 22 8.206 -12.286 2.191 162 HB3 ARG 22 1HB ARG 22 8.960 -11.306 0.943 163 HG2 ARG 22 2HG ARG 22 9.265 -9.515 2.613 164 HG3 ARG 22 1HG ARG 22 8.597 -10.594 3.833 165 HD2 ARG 22 2HD ARG 22 10.351 -12.194 3.453 166 HD3 ARG 22 1HD ARG 22 11.022 -11.205 2.155 167 HE ARG 22 HE ARG 22 11.075 -9.510 4.177 168 HH11 ARG 22 1HH1 ARG 22 12.114 -12.902 4.026 169 HH12 ARG 22 2HH1 ARG 22 13.356 -12.729 5.173 170 HH21 ARG 22 1HH2 ARG 22 12.768 -9.288 5.788 171 HH22 ARG 22 2HH2 ARG 22 13.710 -10.635 6.224 172 H PHE 23 H PHE 23 6.531 -8.881 3.300 173 HA PHE 23 HA PHE 23 5.078 -10.673 5.045 174 HB2 PHE 23 2HB PHE 23 5.908 -7.796 5.374 175 HB3 PHE 23 1HB PHE 23 5.043 -8.715 6.600 176 HD1 PHE 23 1HD PHE 23 6.184 -11.010 7.217 177 HD2 PHE 23 2HD PHE 23 8.198 -7.675 5.518 178 HE1 PHE 23 1HE PHE 23 8.307 -11.851 8.110 179 HE2 PHE 23 2HE PHE 23 10.330 -8.504 6.402 180 HZ PHE 23 HZ PHE 23 10.396 -10.601 7.702 181 H ASN 24 H ASN 24 4.143 -9.367 2.398 182 HA ASN 24 HA ASN 24 2.186 -8.866 1.443 183 HB2 ASN 24 2HB ASN 24 1.142 -9.978 4.024 184 HB3 ASN 24 1HB ASN 24 0.042 -9.299 2.830 185 HD21 ASN 24 1HD2 ASN 24 -0.218 -10.320 0.899 186 HD22 ASN 24 2HD2 ASN 24 0.287 -11.950 0.600 187 H LYS 25 H LYS 25 3.595 -6.774 2.882 188 HA LYS 25 HA LYS 25 1.261 -5.038 3.156 189 HB2 LYS 25 2HB LYS 25 4.073 -4.510 4.091 190 HB3 LYS 25 1HB LYS 25 2.740 -3.374 4.202 191 HG2 LYS 25 2HG LYS 25 1.569 -5.088 5.620 192 HG3 LYS 25 1HG LYS 25 3.115 -5.951 5.685 193 HD2 LYS 25 2HD LYS 25 4.132 -3.793 6.425 194 HD3 LYS 25 1HD LYS 25 2.501 -3.165 6.619 195 HE2 LYS 25 2HE LYS 25 3.264 -3.949 8.759 196 HE3 LYS 25 1HE LYS 25 2.005 -5.034 8.172 197 HZ1 LYS 25 3HZ LYS 25 4.928 -5.528 8.018 198 HZ2 LYS 25 1HZ LYS 25 3.732 -6.584 7.461 199 HZ3 LYS 25 2HZ LYS 25 3.849 -6.265 9.095 200 H CYS 26 H CYS 26 1.180 -3.176 2.031 201 HA CYS 26 HA CYS 26 2.098 -3.223 -0.614 202 HB2 CYS 26 2HB CYS 26 1.179 -0.902 1.031 203 HB3 CYS 26 1HB CYS 26 1.212 -0.939 -0.735 204 H VAL 27 H VAL 27 3.786 -2.219 -1.622 205 HA VAL 27 HA VAL 27 5.486 -0.371 -0.149 206 HB VAL 27 HB VAL 27 7.541 -1.396 -1.223 207 HG11 VAL 27 1HG1 VAL 27 6.062 -3.214 0.672 208 HG12 VAL 27 2HG1 VAL 27 7.049 -1.824 1.122 209 HG13 VAL 27 3HG1 VAL 27 7.801 -3.229 0.368 210 HG21 VAL 27 3HG2 VAL 27 6.434 -2.654 -2.992 211 HG22 VAL 27 1HG2 VAL 27 5.683 -3.704 -1.793 212 HG23 VAL 27 2HG2 VAL 27 7.434 -3.719 -2.003 213 H LEU 28 H LEU 28 7.045 0.704 -1.826 214 HA LEU 28 HA LEU 28 5.247 1.569 -3.891 215 HB2 LEU 28 2HB LEU 28 7.735 2.764 -2.771 216 HB3 LEU 28 1HB LEU 28 7.088 3.324 -4.299 217 HG LEU 28 HG LEU 28 5.508 3.256 -1.772 218 HD11 LEU 28 1HD1 LEU 28 7.455 4.765 -1.511 219 HD12 LEU 28 2HD1 LEU 28 5.977 5.716 -1.668 220 HD13 LEU 28 3HD1 LEU 28 7.061 5.538 -3.045 221 HD21 LEU 28 3HD2 LEU 28 4.081 4.875 -2.956 222 HD22 LEU 28 1HD2 LEU 28 4.167 3.324 -3.789 223 HD23 LEU 28 2HD2 LEU 28 5.096 4.700 -4.384 224 HA PRO 29 HA PRO 29 7.502 -0.594 -7.057 225 HB2 PRO 29 2HB PRO 29 5.761 -0.064 -9.008 226 HB3 PRO 29 1HB PRO 29 5.309 -1.179 -7.713 227 HG2 PRO 29 2HG PRO 29 4.637 1.716 -8.036 228 HG3 PRO 29 1HG PRO 29 3.573 0.365 -7.602 229 HD2 PRO 29 2HD PRO 29 4.655 2.031 -5.704 230 HD3 PRO 29 1HD PRO 29 4.295 0.317 -5.431 231 H GLU 30 H GLU 30 7.637 0.306 -9.570 232 HA GLU 30 HA GLU 30 9.276 2.630 -9.379 233 HB2 GLU 30 2HB GLU 30 8.367 1.075 -11.823 234 HB3 GLU 30 1HB GLU 30 9.583 2.329 -11.819 235 HG2 GLU 30 2HG GLU 30 10.637 0.158 -11.925 236 HG3 GLU 30 1HG GLU 30 11.021 0.926 -10.392 237 H THR 31 H THR 31 6.026 1.887 -10.493 238 HA THR 31 HA THR 31 5.577 4.413 -11.730 239 HB THR 31 HB THR 31 3.196 3.602 -11.748 240 HG1 THR 31 1HG THR 31 3.077 2.325 -10.130 241 HG21 THR 31 3HG2 THR 31 5.312 1.733 -12.841 242 HG22 THR 31 1HG2 THR 31 4.711 3.185 -13.639 243 HG23 THR 31 2HG2 THR 31 3.638 1.808 -13.385 244 H GLY 32 H GLY 32 5.529 3.353 -8.510 245 HA2 GLY 32 2HA GLY 32 5.216 4.651 -6.609 246 HA3 GLY 32 1HA GLY 32 4.561 5.929 -7.624 247 H GLY 33 H GLY 33 2.805 6.305 -6.352 248 HA2 GLY 33 2HA GLY 33 0.397 5.860 -6.498 249 HA3 GLY 33 1HA GLY 33 0.788 4.156 -6.281 250 H GLY 34 H GLY 34 1.655 7.180 -4.641 251 HA2 GLY 34 2HA GLY 34 1.438 5.782 -2.091 252 HA3 GLY 34 1HA GLY 34 2.238 7.318 -2.372 Start of MODEL 5 1 H1 CYS 1 H CYS 1 0.129 8.073 -2.522 2 HA CYS 1 HA CYS 1 -2.334 6.710 -3.362 3 HB2 CYS 1 2HB CYS 1 -0.215 6.312 -4.659 4 HB3 CYS 1 1HB CYS 1 0.486 5.631 -3.200 5 H ARG 2 H ARG 2 -2.243 4.350 -2.183 6 HA ARG 2 HA ARG 2 -2.796 4.680 0.506 7 HB2 ARG 2 2HB ARG 2 -3.395 2.774 -1.070 8 HB3 ARG 2 1HB ARG 2 -1.790 2.137 -0.750 9 HG2 ARG 2 2HG ARG 2 -3.435 1.025 0.607 10 HG3 ARG 2 1HG ARG 2 -2.361 1.989 1.631 11 HD2 ARG 2 2HD ARG 2 -4.781 2.175 2.230 12 HD3 ARG 2 1HD ARG 2 -4.018 3.716 1.855 13 HE ARG 2 HE ARG 2 -5.381 2.359 -0.322 14 HH11 ARG 2 1HH1 ARG 2 -5.586 4.872 2.183 15 HH12 ARG 2 2HH1 ARG 2 -6.817 5.751 1.404 16 HH21 ARG 2 1HH2 ARG 2 -7.091 3.590 -1.400 17 HH22 ARG 2 2HH2 ARG 2 -7.676 5.015 -0.688 18 H ILE 3 H ILE 3 -1.586 4.362 2.362 19 HA ILE 3 HA ILE 3 1.208 4.806 2.002 20 HB ILE 3 HB ILE 3 1.264 5.184 4.468 21 HG12 ILE 3 2HG1 ILE 3 -1.214 5.572 5.406 22 HG13 ILE 3 1HG1 ILE 3 -1.581 4.301 4.250 23 HG21 ILE 3 1HG2 ILE 3 -0.028 7.263 4.430 24 HG22 ILE 3 2HG2 ILE 3 -0.798 6.732 2.934 25 HG23 ILE 3 3HG2 ILE 3 0.941 7.022 2.977 26 HD11 ILE 3 3HD1 ILE 3 0.014 2.832 5.358 27 HD12 ILE 3 1HD1 ILE 3 -1.255 3.385 6.453 28 HD13 ILE 3 2HD1 ILE 3 0.353 4.101 6.532 29 HA HYP 4 HA HYP 4 2.913 0.802 2.684 30 HB2 HYP 4 2HB HYP 4 4.673 2.007 4.729 31 HB3 HYP 4 1HB HYP 4 5.081 1.097 3.269 32 HG HYP 4 HG HYP 4 5.477 3.692 3.343 33 HD22 HYP 4 2HD1 HYP 4 3.328 4.544 3.844 34 HD23 HYP 4 1HD1 HYP 4 3.185 4.414 2.078 35 HD1 HYP 4 2HD HYP 4 5.883 2.729 1.602 36 H ASN 5 H ASN 5 3.239 -0.837 4.186 37 HA ASN 5 HA ASN 5 3.007 -2.115 5.975 38 HB2 ASN 5 2HB ASN 5 3.781 -0.421 7.530 39 HB3 ASN 5 1HB ASN 5 2.204 0.357 7.552 40 HD21 ASN 5 1HD2 ASN 5 0.640 -0.463 8.876 41 HD22 ASN 5 2HD2 ASN 5 0.869 -1.735 10.010 42 H GLN 6 H GLN 6 0.403 -0.181 4.909 43 HA GLN 6 HA GLN 6 -1.767 -1.685 5.884 44 HB2 GLN 6 2HB GLN 6 -1.390 -0.318 3.211 45 HB3 GLN 6 1HB GLN 6 -2.909 -1.000 3.760 46 HG2 GLN 6 2HG GLN 6 -1.413 1.238 5.093 47 HG3 GLN 6 1HG GLN 6 -2.806 1.426 4.028 48 HE21 GLN 6 1HE2 GLN 6 -4.819 0.720 4.744 49 HE22 GLN 6 2HE2 GLN 6 -5.159 0.502 6.414 50 H LYS 7 H LYS 7 -2.735 -3.559 5.065 51 HA LYS 7 HA LYS 7 -0.977 -5.340 3.659 52 HB2 LYS 7 2HB LYS 7 -3.862 -5.635 4.509 53 HB3 LYS 7 1HB LYS 7 -2.865 -6.928 3.872 54 HG2 LYS 7 2HG LYS 7 -2.230 -5.423 6.402 55 HG3 LYS 7 1HG LYS 7 -3.175 -6.906 6.355 56 HD2 LYS 7 2HD LYS 7 -0.329 -6.641 5.360 57 HD3 LYS 7 1HD LYS 7 -0.787 -7.271 6.942 58 HE2 LYS 7 2HE LYS 7 -2.178 -8.995 5.704 59 HE3 LYS 7 1HE LYS 7 -1.388 -8.447 4.230 60 HZ1 LYS 7 3HZ LYS 7 -0.015 -9.551 6.609 61 HZ2 LYS 7 1HZ LYS 7 0.771 -9.112 5.194 62 HZ3 LYS 7 2HZ LYS 7 -0.312 -10.408 5.214 63 H CYS 8 H CYS 8 -1.154 -5.925 1.528 64 HA CYS 8 HA CYS 8 -3.308 -4.650 0.024 65 HB2 CYS 8 2HB CYS 8 -1.650 -4.742 -1.914 66 HB3 CYS 8 1HB CYS 8 -1.362 -3.522 -0.684 67 H PHE 9 H PHE 9 -4.455 -5.904 -1.252 68 HA PHE 9 HA PHE 9 -3.545 -8.674 -1.471 69 HB2 PHE 9 2HB PHE 9 -6.331 -7.750 -0.782 70 HB3 PHE 9 1HB PHE 9 -5.915 -9.404 -1.211 71 HD1 PHE 9 2HD PHE 9 -4.234 -10.635 0.226 72 HD2 PHE 9 1HD PHE 9 -6.065 -6.990 1.430 73 HE1 PHE 9 2HE PHE 9 -3.640 -11.106 2.554 74 HE2 PHE 9 1HE PHE 9 -5.476 -7.453 3.759 75 HZ PHE 9 HZ PHE 9 -4.261 -9.519 4.335 76 H GLN 10 H GLN 10 -4.017 -9.794 -3.248 77 HA GLN 10 HA GLN 10 -3.922 -8.387 -5.657 78 HB2 GLN 10 2HB GLN 10 -3.983 -10.592 -6.747 79 HB3 GLN 10 1HB GLN 10 -2.863 -10.533 -5.396 80 HG2 GLN 10 2HG GLN 10 -4.491 -11.669 -3.985 81 HG3 GLN 10 1HG GLN 10 -5.606 -11.747 -5.342 82 HE21 GLN 10 1HE2 GLN 10 -2.679 -12.978 -3.989 83 HE22 GLN 10 2HE2 GLN 10 -2.524 -14.348 -5.021 84 H HIS 11 H HIS 11 -6.703 -9.333 -3.912 85 HA HIS 11 HA HIS 11 -8.308 -8.862 -6.322 86 HB2 HIS 11 2HB HIS 11 -9.020 -10.453 -3.856 87 HB3 HIS 11 1HB HIS 11 -10.179 -10.019 -5.107 88 HD1 HIS 11 1HD HIS 11 -7.352 -12.352 -4.424 89 HD2 HIS 11 2HD HIS 11 -9.837 -11.270 -7.551 90 HE1 HIS 11 1HE HIS 11 -7.009 -14.096 -6.221 91 H LEU 12 H LEU 12 -7.136 -7.020 -4.152 92 HA LEU 12 HA LEU 12 -9.629 -5.519 -3.812 93 HB2 LEU 12 2HB LEU 12 -7.198 -5.482 -2.012 94 HB3 LEU 12 1HB LEU 12 -8.645 -4.532 -1.783 95 HG LEU 12 HG LEU 12 -8.392 -7.530 -1.501 96 HD11 LEU 12 1HD1 LEU 12 -8.854 -7.117 0.834 97 HD12 LEU 12 2HD1 LEU 12 -8.983 -5.389 0.512 98 HD13 LEU 12 3HD1 LEU 12 -7.437 -6.205 0.303 99 HD21 LEU 12 3HD2 LEU 12 -10.708 -7.511 -0.748 100 HD22 LEU 12 1HD2 LEU 12 -10.596 -6.949 -2.416 101 HD23 LEU 12 2HD2 LEU 12 -10.826 -5.790 -1.101 102 H ASP 13 H ASP 13 -9.131 -3.107 -3.741 103 HA ASP 13 HA ASP 13 -6.872 -2.544 -5.561 104 HB2 ASP 13 2HB ASP 13 -8.120 -0.735 -6.591 105 HB3 ASP 13 1HB ASP 13 -9.144 -2.157 -6.604 106 H ASP 14 H ASP 14 -6.756 -2.710 -2.802 107 HA ASP 14 HA ASP 14 -7.043 -0.464 -1.253 108 HB2 ASP 14 2HB ASP 14 -5.053 -1.477 0.067 109 HB3 ASP 14 1HB ASP 14 -6.549 -2.390 -0.065 110 H CYS 15 H CYS 15 -4.135 -1.425 -2.884 111 HA CYS 15 HA CYS 15 -3.168 1.337 -2.732 112 HB2 CYS 15 2HB CYS 15 -1.892 -1.269 -3.294 113 HB3 CYS 15 1HB CYS 15 -0.995 0.262 -3.362 114 H CYS 16 H CYS 16 -2.395 2.368 -4.642 115 HA CYS 16 HA CYS 16 -3.826 2.071 -6.966 116 HB2 CYS 16 2HB CYS 16 -1.050 3.203 -6.928 117 HB3 CYS 16 1HB CYS 16 -2.448 3.747 -7.855 118 H SER 17 H SER 17 -0.511 0.974 -6.234 119 HA SER 17 HA SER 17 -0.474 -0.576 -8.730 120 HB2 SER 17 2HB SER 17 1.368 1.034 -8.491 121 HB3 SER 17 1HB SER 17 1.783 0.340 -6.931 122 HG SER 17 HG SER 17 1.892 -0.981 -9.438 123 H ARG 18 H ARG 18 -0.883 -0.901 -5.408 124 HA ARG 18 HA ARG 18 -0.512 -2.497 -3.808 125 HB2 ARG 18 2HB ARG 18 -1.253 -4.261 -6.130 126 HB3 ARG 18 1HB ARG 18 -1.355 -4.697 -4.430 127 HG2 ARG 18 2HG ARG 18 -3.027 -3.027 -4.049 128 HG3 ARG 18 1HG ARG 18 -2.872 -2.445 -5.706 129 HD2 ARG 18 2HD ARG 18 -3.813 -5.130 -4.796 130 HD3 ARG 18 1HD ARG 18 -4.782 -3.822 -5.502 131 HE ARG 18 HE ARG 18 -2.724 -4.476 -7.282 132 HH11 ARG 18 1HH1 ARG 18 -5.847 -5.597 -6.213 133 HH12 ARG 18 2HH1 ARG 18 -6.034 -6.747 -7.464 134 HH21 ARG 18 1HH2 ARG 18 -2.941 -5.999 -9.008 135 HH22 ARG 18 2HH2 ARG 18 -4.306 -7.015 -9.103 136 H LYS 19 H LYS 19 1.899 -1.711 -4.540 137 HA LYS 19 HA LYS 19 3.479 -3.952 -5.340 138 HB2 LYS 19 2HB LYS 19 4.202 -1.593 -5.778 139 HB3 LYS 19 1HB LYS 19 4.293 -1.318 -4.048 140 HG2 LYS 19 2HG LYS 19 6.094 -2.942 -3.864 141 HG3 LYS 19 1HG LYS 19 5.977 -3.290 -5.586 142 HD2 LYS 19 2HD LYS 19 6.626 -0.995 -6.115 143 HD3 LYS 19 1HD LYS 19 6.678 -0.598 -4.397 144 HE2 LYS 19 2HE LYS 19 8.459 -2.237 -4.066 145 HE3 LYS 19 1HE LYS 19 8.383 -2.667 -5.770 146 HZ1 LYS 19 3HZ LYS 19 10.206 -1.163 -5.196 147 HZ2 LYS 19 1HZ LYS 19 9.112 0.026 -4.737 148 HZ3 LYS 19 2HZ LYS 19 9.212 -0.488 -6.365 149 H CYS 20 H CYS 20 3.350 -5.606 -4.017 150 HA CYS 20 HA CYS 20 3.077 -5.124 -1.177 151 HB2 CYS 20 2HB CYS 20 2.639 -7.618 -2.818 152 HB3 CYS 20 1HB CYS 20 2.406 -7.500 -1.078 153 H ASN 21 H ASN 21 4.569 -5.530 0.187 154 HA ASN 21 HA ASN 21 7.101 -6.515 -0.724 155 HB2 ASN 21 2HB ASN 21 7.934 -6.017 1.547 156 HB3 ASN 21 1HB ASN 21 7.061 -4.646 0.898 157 HD21 ASN 21 1HD2 ASN 21 6.756 -3.803 2.940 158 HD22 ASN 21 2HD2 ASN 21 5.649 -4.456 4.074 159 H ARG 22 H ARG 22 8.082 -7.944 1.188 160 HA ARG 22 HA ARG 22 7.048 -10.515 0.636 161 HB2 ARG 22 2HB ARG 22 8.860 -11.342 2.052 162 HB3 ARG 22 1HB ARG 22 9.391 -10.149 0.879 163 HG2 ARG 22 2HG ARG 22 9.279 -8.436 2.714 164 HG3 ARG 22 1HG ARG 22 9.014 -9.774 3.836 165 HD2 ARG 22 2HD ARG 22 11.387 -9.372 2.032 166 HD3 ARG 22 1HD ARG 22 11.359 -9.227 3.791 167 HE ARG 22 HE ARG 22 10.545 -11.672 3.556 168 HH11 ARG 22 1HH1 ARG 22 13.148 -10.091 1.755 169 HH12 ARG 22 2HH1 ARG 22 14.054 -11.527 1.542 170 HH21 ARG 22 1HH2 ARG 22 11.765 -13.632 3.233 171 HH22 ARG 22 2HH2 ARG 22 13.238 -13.589 2.390 172 H PHE 23 H PHE 23 5.849 -8.415 2.882 173 HA PHE 23 HA PHE 23 4.870 -10.615 4.568 174 HB2 PHE 23 2HB PHE 23 5.117 -7.669 5.231 175 HB3 PHE 23 1HB PHE 23 4.429 -8.892 6.295 176 HD1 PHE 23 1HD PHE 23 5.950 -10.885 6.865 177 HD2 PHE 23 2HD PHE 23 7.370 -7.171 5.368 178 HE1 PHE 23 1HE PHE 23 8.158 -11.396 7.744 179 HE2 PHE 23 2HE PHE 23 9.604 -7.669 6.249 180 HZ PHE 23 HZ PHE 23 10.014 -9.784 7.442 181 H ASN 24 H ASN 24 4.032 -9.193 1.924 182 HA ASN 24 HA ASN 24 2.173 -8.636 0.806 183 HB2 ASN 24 2HB ASN 24 0.887 -10.126 3.092 184 HB3 ASN 24 1HB ASN 24 -0.100 -9.359 1.854 185 HD21 ASN 24 1HD2 ASN 24 -0.146 -10.233 -0.218 186 HD22 ASN 24 2HD2 ASN 24 0.492 -11.777 -0.574 187 H LYS 25 H LYS 25 3.364 -6.901 2.796 188 HA LYS 25 HA LYS 25 1.141 -5.135 3.314 189 HB2 LYS 25 2HB LYS 25 4.009 -5.058 4.181 190 HB3 LYS 25 1HB LYS 25 2.864 -3.753 4.479 191 HG2 LYS 25 2HG LYS 25 1.446 -5.353 5.710 192 HG3 LYS 25 1HG LYS 25 2.707 -6.574 5.499 193 HD2 LYS 25 2HD LYS 25 4.274 -5.169 6.625 194 HD3 LYS 25 1HD LYS 25 3.055 -3.908 6.821 195 HE2 LYS 25 2HE LYS 25 1.671 -5.490 8.129 196 HE3 LYS 25 1HE LYS 25 2.978 -6.670 8.014 197 HZ1 LYS 25 3HZ LYS 25 3.211 -4.003 9.280 198 HZ2 LYS 25 1HZ LYS 25 4.400 -5.199 9.231 199 HZ3 LYS 25 2HZ LYS 25 2.978 -5.452 10.108 200 H CYS 26 H CYS 26 1.155 -3.120 2.471 201 HA CYS 26 HA CYS 26 2.173 -3.055 -0.196 202 HB2 CYS 26 2HB CYS 26 -0.153 -2.480 0.511 203 HB3 CYS 26 1HB CYS 26 0.508 -1.068 1.308 204 H VAL 27 H VAL 27 3.626 -1.685 -0.941 205 HA VAL 27 HA VAL 27 4.520 0.468 0.759 206 HB VAL 27 HB VAL 27 6.797 0.290 -0.466 207 HG11 VAL 27 1HG1 VAL 27 6.024 -1.958 1.395 208 HG12 VAL 27 2HG1 VAL 27 6.545 -0.343 1.876 209 HG13 VAL 27 3HG1 VAL 27 7.672 -1.426 1.058 210 HG21 VAL 27 3HG2 VAL 27 7.438 -1.929 -1.307 211 HG22 VAL 27 1HG2 VAL 27 6.101 -1.268 -2.252 212 HG23 VAL 27 2HG2 VAL 27 5.810 -2.515 -1.032 213 H LEU 28 H LEU 28 4.621 2.402 -0.216 214 HA LEU 28 HA LEU 28 2.801 2.826 -2.242 215 HB2 LEU 28 2HB LEU 28 3.286 5.122 -2.152 216 HB3 LEU 28 1HB LEU 28 3.594 4.525 -0.544 217 HG LEU 28 HG LEU 28 5.699 5.224 -2.601 218 HD11 LEU 28 1HD1 LEU 28 4.796 6.670 -0.129 219 HD12 LEU 28 2HD1 LEU 28 4.548 7.176 -1.802 220 HD13 LEU 28 3HD1 LEU 28 6.178 7.109 -1.129 221 HD21 LEU 28 3HD2 LEU 28 6.481 3.479 -1.075 222 HD22 LEU 28 1HD2 LEU 28 6.016 4.468 0.308 223 HD23 LEU 28 2HD2 LEU 28 7.310 5.007 -0.767 224 HA PRO 29 HA PRO 29 4.609 2.116 -6.217 225 HB2 PRO 29 2HB PRO 29 3.586 4.852 -6.847 226 HB3 PRO 29 1HB PRO 29 3.356 3.342 -7.734 227 HG2 PRO 29 2HG PRO 29 1.398 4.344 -6.255 228 HG3 PRO 29 1HG PRO 29 1.695 2.598 -6.314 229 HD2 PRO 29 2HD PRO 29 2.324 4.550 -4.147 230 HD3 PRO 29 1HD PRO 29 1.847 2.842 -4.046 231 H GLU 30 H GLU 30 6.526 2.510 -7.085 232 HA GLU 30 HA GLU 30 8.308 4.244 -5.719 233 HB2 GLU 30 2HB GLU 30 9.986 3.349 -7.417 234 HB3 GLU 30 1HB GLU 30 9.252 2.199 -6.314 235 HG2 GLU 30 2HG GLU 30 7.656 1.577 -8.098 236 HG3 GLU 30 1HG GLU 30 8.521 2.657 -9.193 237 H THR 31 H THR 31 6.288 4.778 -8.320 238 HA THR 31 HA THR 31 7.771 6.878 -9.543 239 HB THR 31 HB THR 31 5.441 7.451 -10.419 240 HG1 THR 31 1HG THR 31 4.132 6.561 -9.154 241 HG21 THR 31 3HG2 THR 31 7.041 6.199 -11.770 242 HG22 THR 31 1HG2 THR 31 5.431 5.518 -11.971 243 HG23 THR 31 2HG2 THR 31 6.615 4.705 -10.942 244 H GLY 32 H GLY 32 5.606 6.544 -6.849 245 HA2 GLY 32 2HA GLY 32 5.555 8.081 -5.047 246 HA3 GLY 32 1HA GLY 32 6.066 9.352 -6.152 247 H GLY 33 H GLY 33 3.966 9.791 -4.461 248 HA2 GLY 33 2HA GLY 33 2.174 11.156 -5.628 249 HA3 GLY 33 1HA GLY 33 1.634 9.582 -6.203 250 H GLY 34 H GLY 34 -0.151 10.935 -4.916 251 HA2 GLY 34 2HA GLY 34 -0.132 10.324 -2.077 252 HA3 GLY 34 1HA GLY 34 -1.419 11.140 -2.963 Start of MODEL 6 1 H1 CYS 1 H CYS 1 -1.641 6.848 -1.928 2 HA CYS 1 HA CYS 1 -3.548 4.833 -2.936 3 HB2 CYS 1 2HB CYS 1 -0.608 4.565 -2.292 4 HB3 CYS 1 1HB CYS 1 -1.626 3.387 -3.119 5 H ARG 2 H ARG 2 -3.118 2.687 -1.442 6 HA ARG 2 HA ARG 2 -3.685 3.472 1.208 7 HB2 ARG 2 2HB ARG 2 -4.328 1.254 0.226 8 HB3 ARG 2 1HB ARG 2 -2.636 0.792 0.272 9 HG2 ARG 2 2HG ARG 2 -3.868 -0.152 2.145 10 HG3 ARG 2 1HG ARG 2 -2.639 0.996 2.689 11 HD2 ARG 2 2HD ARG 2 -4.780 1.231 3.907 12 HD3 ARG 2 1HD ARG 2 -4.302 2.700 3.067 13 HE ARG 2 HE ARG 2 -6.080 0.973 1.608 14 HH11 ARG 2 1HH1 ARG 2 -5.967 3.581 3.996 15 HH12 ARG 2 2HH1 ARG 2 -7.493 4.214 3.589 16 HH21 ARG 2 1HH2 ARG 2 -8.184 1.928 0.977 17 HH22 ARG 2 2HH2 ARG 2 -8.753 3.270 1.850 18 H ILE 3 H ILE 3 -2.353 4.009 2.774 19 HA ILE 3 HA ILE 3 0.320 4.581 2.293 20 HB ILE 3 HB ILE 3 0.517 4.996 4.735 21 HG12 ILE 3 2HG1 ILE 3 -2.350 4.015 4.866 22 HG13 ILE 3 1HG1 ILE 3 -0.957 3.119 5.457 23 HG21 ILE 3 1HG2 ILE 3 -0.344 6.734 3.287 24 HG22 ILE 3 2HG2 ILE 3 -1.189 6.769 4.838 25 HG23 ILE 3 3HG2 ILE 3 -1.974 6.072 3.425 26 HD11 ILE 3 3HD1 ILE 3 -2.146 4.213 7.258 27 HD12 ILE 3 1HD1 ILE 3 -1.904 5.785 6.488 28 HD13 ILE 3 2HD1 ILE 3 -0.518 4.864 7.085 29 HA HYP 4 HA HYP 4 2.618 0.877 2.833 30 HB2 HYP 4 2HB HYP 4 4.726 1.836 4.363 31 HB3 HYP 4 1HB HYP 4 4.624 1.948 2.603 32 HG HYP 4 HG HYP 4 4.046 4.015 4.665 33 HD22 HYP 4 2HD1 HYP 4 2.210 4.874 3.451 34 HD23 HYP 4 1HD1 HYP 4 2.762 4.129 1.937 35 HD1 HYP 4 2HD HYP 4 4.609 5.265 2.774 36 H ASN 5 H ASN 5 3.254 -0.675 4.357 37 HA ASN 5 HA ASN 5 3.275 -1.882 6.224 38 HB2 ASN 5 2HB ASN 5 2.588 0.657 7.752 39 HB3 ASN 5 1HB ASN 5 2.906 -0.892 8.518 40 HD21 ASN 5 1HD2 ASN 5 4.283 1.849 6.906 41 HD22 ASN 5 2HD2 ASN 5 5.929 1.451 7.197 42 H GLN 6 H GLN 6 0.569 -0.420 5.032 43 HA GLN 6 HA GLN 6 -1.344 -1.786 6.708 44 HB2 GLN 6 2HB GLN 6 -1.606 -0.480 4.005 45 HB3 GLN 6 1HB GLN 6 -2.947 -1.211 4.866 46 HG2 GLN 6 2HG GLN 6 -1.290 1.075 5.866 47 HG3 GLN 6 1HG GLN 6 -2.859 1.233 5.080 48 HE21 GLN 6 1HE2 GLN 6 -2.037 2.024 7.671 49 HE22 GLN 6 2HE2 GLN 6 -3.086 1.235 8.806 50 H LYS 7 H LYS 7 -2.587 -3.604 6.064 51 HA LYS 7 HA LYS 7 -1.108 -5.501 4.523 52 HB2 LYS 7 2HB LYS 7 -3.765 -5.622 5.893 53 HB3 LYS 7 1HB LYS 7 -3.235 -6.926 4.853 54 HG2 LYS 7 2HG LYS 7 -1.776 -5.919 7.285 55 HG3 LYS 7 1HG LYS 7 -2.809 -7.342 7.235 56 HD2 LYS 7 2HD LYS 7 -0.304 -7.016 5.546 57 HD3 LYS 7 1HD LYS 7 -0.333 -7.789 7.116 58 HE2 LYS 7 2HE LYS 7 -0.369 -9.504 5.462 59 HE3 LYS 7 1HE LYS 7 -1.961 -9.461 6.202 60 HZ1 LYS 7 3HZ LYS 7 -1.254 -8.299 3.536 61 HZ2 LYS 7 1HZ LYS 7 -2.822 -8.383 4.180 62 HZ3 LYS 7 2HZ LYS 7 -1.993 -9.775 3.792 63 H CYS 8 H CYS 8 -1.237 -6.015 2.472 64 HA CYS 8 HA CYS 8 -3.540 -5.040 0.981 65 HB2 CYS 8 2HB CYS 8 -2.062 -5.120 -1.004 66 HB3 CYS 8 1HB CYS 8 -1.450 -4.015 0.220 67 H PHE 9 H PHE 9 -4.170 -6.515 -0.829 68 HA PHE 9 HA PHE 9 -3.494 -9.307 -0.477 69 HB2 PHE 9 2HB PHE 9 -6.339 -8.243 -0.317 70 HB3 PHE 9 1HB PHE 9 -5.888 -9.937 -0.332 71 HD1 PHE 9 1HD PHE 9 -4.672 -10.887 1.646 72 HD2 PHE 9 2HD PHE 9 -6.342 -6.980 1.658 73 HE1 PHE 9 1HE PHE 9 -4.537 -10.842 4.085 74 HE2 PHE 9 2HE PHE 9 -6.198 -6.923 4.096 75 HZ PHE 9 HZ PHE 9 -5.302 -8.853 5.324 76 H GLN 10 H GLN 10 -4.461 -10.504 -2.338 77 HA GLN 10 HA GLN 10 -4.170 -8.921 -4.708 78 HB2 GLN 10 2HB GLN 10 -4.664 -11.844 -4.285 79 HB3 GLN 10 1HB GLN 10 -4.797 -11.152 -5.888 80 HG2 GLN 10 2HG GLN 10 -2.603 -12.032 -5.730 81 HG3 GLN 10 1HG GLN 10 -2.433 -10.293 -5.582 82 HE21 GLN 10 1HE2 GLN 10 -3.465 -12.512 -3.030 83 HE22 GLN 10 2HE2 GLN 10 -2.102 -12.249 -2.025 84 H HIS 11 H HIS 11 -6.791 -9.740 -2.813 85 HA HIS 11 HA HIS 11 -8.691 -9.123 -4.942 86 HB2 HIS 11 2HB HIS 11 -10.429 -9.835 -3.232 87 HB3 HIS 11 1HB HIS 11 -9.341 -11.106 -3.761 88 HD1 HIS 11 1HD HIS 11 -7.672 -12.051 -1.974 89 HD2 HIS 11 2HD HIS 11 -10.267 -9.127 -0.555 90 HE1 HIS 11 1HE HIS 11 -7.500 -12.128 0.536 91 H LEU 12 H LEU 12 -6.831 -7.375 -3.247 92 HA LEU 12 HA LEU 12 -8.802 -5.330 -2.495 93 HB2 LEU 12 2HB LEU 12 -7.476 -6.304 -0.599 94 HB3 LEU 12 1HB LEU 12 -6.011 -5.815 -1.426 95 HG LEU 12 HG LEU 12 -6.858 -3.465 -1.282 96 HD11 LEU 12 1HD1 LEU 12 -8.510 -2.990 0.452 97 HD12 LEU 12 2HD1 LEU 12 -8.785 -4.721 0.655 98 HD13 LEU 12 3HD1 LEU 12 -9.194 -3.934 -0.871 99 HD21 LEU 12 3HD2 LEU 12 -6.136 -3.210 1.050 100 HD22 LEU 12 1HD2 LEU 12 -5.104 -4.289 0.121 101 HD23 LEU 12 2HD2 LEU 12 -6.273 -4.952 1.270 102 H ASP 13 H ASP 13 -8.092 -3.130 -3.298 103 HA ASP 13 HA ASP 13 -5.839 -3.357 -5.160 104 HB2 ASP 13 2HB ASP 13 -8.041 -3.879 -6.272 105 HB3 ASP 13 1HB ASP 13 -8.509 -2.213 -5.968 106 H ASP 14 H ASP 14 -6.544 -1.861 -2.575 107 HA ASP 14 HA ASP 14 -6.632 0.905 -3.198 108 HB2 ASP 14 2HB ASP 14 -5.720 -0.455 -0.658 109 HB3 ASP 14 1HB ASP 14 -5.808 1.290 -0.891 110 H CYS 15 H CYS 15 -4.065 -1.259 -3.347 111 HA CYS 15 HA CYS 15 -2.001 0.762 -3.104 112 HB2 CYS 15 2HB CYS 15 -1.833 -2.128 -3.997 113 HB3 CYS 15 1HB CYS 15 -0.467 -1.095 -3.574 114 H CYS 16 H CYS 16 -1.771 2.150 -4.789 115 HA CYS 16 HA CYS 16 -3.213 2.010 -7.027 116 HB2 CYS 16 2HB CYS 16 -0.630 3.526 -6.734 117 HB3 CYS 16 1HB CYS 16 -1.874 3.853 -7.934 118 H SER 17 H SER 17 0.218 1.080 -6.696 119 HA SER 17 HA SER 17 0.164 0.155 -9.458 120 HB2 SER 17 2HB SER 17 1.992 1.723 -8.831 121 HB3 SER 17 1HB SER 17 2.545 0.573 -7.621 122 HG SER 17 HG SER 17 2.633 0.368 -10.440 123 H ARG 18 H ARG 18 -0.813 -1.072 -6.787 124 HA ARG 18 HA ARG 18 -1.016 -3.037 -5.738 125 HB2 ARG 18 2HB ARG 18 -0.317 -4.086 -8.497 126 HB3 ARG 18 1HB ARG 18 -0.866 -5.125 -7.193 127 HG2 ARG 18 2HG ARG 18 -2.759 -4.703 -8.553 128 HG3 ARG 18 1HG ARG 18 -2.967 -3.700 -7.121 129 HD2 ARG 18 2HD ARG 18 -1.967 -1.801 -8.450 130 HD3 ARG 18 1HD ARG 18 -2.070 -2.843 -9.866 131 HE ARG 18 HE ARG 18 -4.562 -2.615 -8.488 132 HH11 ARG 18 1HH1 ARG 18 -2.498 -1.003 -10.842 133 HH12 ARG 18 2HH1 ARG 18 -3.760 -0.102 -11.541 134 HH21 ARG 18 1HH2 ARG 18 -6.259 -1.352 -9.373 135 HH22 ARG 18 2HH2 ARG 18 -5.944 -0.306 -10.697 136 H LYS 19 H LYS 19 1.456 -1.768 -5.466 137 HA LYS 19 HA LYS 19 3.493 -3.775 -5.432 138 HB2 LYS 19 2HB LYS 19 3.448 -0.909 -4.527 139 HB3 LYS 19 1HB LYS 19 4.833 -1.972 -4.315 140 HG2 LYS 19 2HG LYS 19 5.122 -2.218 -6.630 141 HG3 LYS 19 1HG LYS 19 3.573 -1.437 -6.955 142 HD2 LYS 19 2HD LYS 19 4.458 0.672 -6.059 143 HD3 LYS 19 1HD LYS 19 5.961 -0.137 -5.631 144 HE2 LYS 19 2HE LYS 19 4.923 0.173 -8.447 145 HE3 LYS 19 1HE LYS 19 6.118 1.228 -7.699 146 HZ1 LYS 19 3HZ LYS 19 6.456 -1.693 -8.204 147 HZ2 LYS 19 1HZ LYS 19 7.562 -0.700 -7.414 148 HZ3 LYS 19 2HZ LYS 19 7.201 -0.443 -9.033 149 H CYS 20 H CYS 20 3.745 -5.085 -3.969 150 HA CYS 20 HA CYS 20 3.068 -4.468 -1.187 151 HB2 CYS 20 2HB CYS 20 2.453 -7.008 -2.694 152 HB3 CYS 20 1HB CYS 20 2.408 -6.884 -0.941 153 H ASN 21 H ASN 21 4.403 -5.401 0.320 154 HA ASN 21 HA ASN 21 6.960 -6.274 -0.736 155 HB2 ASN 21 2HB ASN 21 7.867 -5.993 1.527 156 HB3 ASN 21 1HB ASN 21 6.981 -4.574 1.050 157 HD21 ASN 21 1HD2 ASN 21 6.799 -3.932 3.166 158 HD22 ASN 21 2HD2 ASN 21 5.713 -4.664 4.283 159 H ARG 22 H ARG 22 8.016 -8.104 0.831 160 HA ARG 22 HA ARG 22 6.601 -10.408 0.038 161 HB2 ARG 22 2HB ARG 22 8.353 -11.721 1.035 162 HB3 ARG 22 1HB ARG 22 9.034 -10.376 0.143 163 HG2 ARG 22 2HG ARG 22 9.467 -9.201 2.230 164 HG3 ARG 22 1HG ARG 22 8.725 -10.519 3.132 165 HD2 ARG 22 2HD ARG 22 10.405 -12.066 2.283 166 HD3 ARG 22 1HD ARG 22 11.141 -10.762 1.356 167 HE ARG 22 HE ARG 22 11.341 -9.728 3.742 168 HH11 ARG 22 1HH1 ARG 22 11.919 -13.097 2.820 169 HH12 ARG 22 2HH1 ARG 22 13.097 -13.360 4.007 170 HH21 ARG 22 1HH2 ARG 22 12.970 -10.107 5.383 171 HH22 ARG 22 2HH2 ARG 22 13.709 -11.627 5.492 172 H PHE 23 H PHE 23 6.195 -8.582 2.848 173 HA PHE 23 HA PHE 23 5.172 -10.869 4.312 174 HB2 PHE 23 2HB PHE 23 5.742 -8.038 5.139 175 HB3 PHE 23 1HB PHE 23 4.843 -9.152 6.167 176 HD1 PHE 23 2HD PHE 23 5.924 -11.069 7.150 177 HD2 PHE 23 1HD PHE 23 8.088 -8.321 4.763 178 HE1 PHE 23 2HE PHE 23 8.005 -12.001 7.995 179 HE2 PHE 23 1HE PHE 23 10.198 -9.234 5.606 180 HZ PHE 23 HZ PHE 23 10.176 -11.080 7.228 181 H ASN 24 H ASN 24 4.053 -9.039 1.971 182 HA ASN 24 HA ASN 24 2.051 -8.643 1.091 183 HB2 ASN 24 2HB ASN 24 0.995 -10.215 3.453 184 HB3 ASN 24 1HB ASN 24 -0.041 -9.594 2.173 185 HD21 ASN 24 1HD2 ASN 24 2.336 -11.955 3.041 186 HD22 ASN 24 2HD2 ASN 24 2.227 -12.889 1.601 187 H LYS 25 H LYS 25 3.324 -6.770 2.780 188 HA LYS 25 HA LYS 25 0.993 -5.191 3.563 189 HB2 LYS 25 2HB LYS 25 3.926 -4.845 4.226 190 HB3 LYS 25 1HB LYS 25 2.762 -3.559 4.465 191 HG2 LYS 25 2HG LYS 25 3.173 -4.637 6.560 192 HG3 LYS 25 1HG LYS 25 1.537 -5.032 6.046 193 HD2 LYS 25 2HD LYS 25 2.269 -7.208 5.302 194 HD3 LYS 25 1HD LYS 25 3.940 -6.813 5.680 195 HE2 LYS 25 2HE LYS 25 1.670 -7.018 7.656 196 HE3 LYS 25 1HE LYS 25 2.929 -8.223 7.396 197 HZ1 LYS 25 3HZ LYS 25 3.515 -6.917 9.300 198 HZ2 LYS 25 1HZ LYS 25 3.277 -5.477 8.456 199 HZ3 LYS 25 2HZ LYS 25 4.555 -6.456 8.047 200 H CYS 26 H CYS 26 0.815 -3.112 2.761 201 HA CYS 26 HA CYS 26 1.441 -2.992 -0.041 202 HB2 CYS 26 2HB CYS 26 -0.771 -2.307 1.033 203 HB3 CYS 26 1HB CYS 26 0.078 -0.923 1.686 204 H VAL 27 H VAL 27 2.952 -1.719 -0.956 205 HA VAL 27 HA VAL 27 4.315 0.122 0.805 206 HB VAL 27 HB VAL 27 6.433 -0.263 -0.625 207 HG11 VAL 27 1HG1 VAL 27 6.213 -1.032 1.671 208 HG12 VAL 27 2HG1 VAL 27 7.085 -2.221 0.699 209 HG13 VAL 27 3HG1 VAL 27 5.394 -2.491 1.119 210 HG21 VAL 27 3HG2 VAL 27 5.492 -1.524 -2.471 211 HG22 VAL 27 1HG2 VAL 27 4.883 -2.752 -1.346 212 HG23 VAL 27 2HG2 VAL 27 6.605 -2.563 -1.552 213 H LEU 28 H LEU 28 5.128 2.008 -0.066 214 HA LEU 28 HA LEU 28 3.108 3.247 -1.588 215 HB2 LEU 28 2HB LEU 28 4.347 4.258 0.284 216 HB3 LEU 28 1HB LEU 28 5.782 4.305 -0.720 217 HG LEU 28 HG LEU 28 4.519 5.839 -2.268 218 HD11 LEU 28 1HD1 LEU 28 2.239 5.246 -1.492 219 HD12 LEU 28 2HD1 LEU 28 2.561 6.972 -1.412 220 HD13 LEU 28 3HD1 LEU 28 2.605 6.001 0.057 221 HD21 LEU 28 3HD2 LEU 28 4.838 7.789 -0.807 222 HD22 LEU 28 1HD2 LEU 28 6.184 6.651 -0.701 223 HD23 LEU 28 2HD2 LEU 28 4.972 6.706 0.577 224 HA PRO 29 HA PRO 29 5.163 2.833 -5.570 225 HB2 PRO 29 2HB PRO 29 3.181 3.843 -7.063 226 HB3 PRO 29 1HB PRO 29 3.061 2.232 -6.349 227 HG2 PRO 29 2HG PRO 29 1.803 4.783 -5.483 228 HG3 PRO 29 1HG PRO 29 1.153 3.137 -5.440 229 HD2 PRO 29 2HD PRO 29 2.272 4.491 -3.274 230 HD3 PRO 29 1HD PRO 29 2.043 2.732 -3.389 231 H GLU 30 H GLU 30 5.405 4.438 -7.453 232 HA GLU 30 HA GLU 30 6.444 6.877 -6.268 233 HB2 GLU 30 2HB GLU 30 6.821 5.838 -9.071 234 HB3 GLU 30 1HB GLU 30 7.672 7.185 -8.352 235 HG2 GLU 30 2HG GLU 30 9.196 5.412 -8.355 236 HG3 GLU 30 1HG GLU 30 8.613 5.501 -6.697 237 H THR 31 H THR 31 4.359 5.866 -8.951 238 HA THR 31 HA THR 31 3.982 8.378 -10.088 239 HB THR 31 HB THR 31 2.021 6.084 -10.210 240 HG1 THR 31 1HG THR 31 4.586 6.469 -11.310 241 HG21 THR 31 3HG2 THR 31 1.299 8.204 -11.266 242 HG22 THR 31 1HG2 THR 31 1.599 6.947 -12.468 243 HG23 THR 31 2HG2 THR 31 2.787 8.224 -12.211 244 H GLY 32 H GLY 32 1.931 6.666 -7.774 245 HA2 GLY 32 2HA GLY 32 0.454 9.185 -7.394 246 HA3 GLY 32 1HA GLY 32 -0.268 7.590 -7.217 247 H GLY 33 H GLY 33 -0.038 9.824 -5.336 248 HA2 GLY 33 2HA GLY 33 1.539 8.502 -3.240 249 HA3 GLY 33 1HA GLY 33 1.041 10.192 -3.222 250 H GLY 34 H GLY 34 -1.652 9.408 -4.187 251 HA2 GLY 34 2HA GLY 34 -2.832 9.040 -1.571 252 HA3 GLY 34 1HA GLY 34 -3.682 9.414 -3.064 Start of MODEL 7 1 H1 CYS 1 H CYS 1 -1.660 4.495 -3.664 2 HA CYS 1 HA CYS 1 -3.571 6.326 -2.695 3 HB2 CYS 1 2HB CYS 1 -4.123 3.550 -3.764 4 HB3 CYS 1 1HB CYS 1 -5.270 4.884 -3.692 5 H ARG 2 H ARG 2 -2.816 3.178 -1.814 6 HA ARG 2 HA ARG 2 -4.129 3.548 0.801 7 HB2 ARG 2 2HB ARG 2 -4.521 1.372 -0.240 8 HB3 ARG 2 1HB ARG 2 -2.794 1.115 -0.422 9 HG2 ARG 2 2HG ARG 2 -3.585 -0.204 1.411 10 HG3 ARG 2 1HG ARG 2 -2.571 1.116 2.012 11 HD2 ARG 2 2HD ARG 2 -4.475 0.922 3.465 12 HD3 ARG 2 1HD ARG 2 -4.629 2.398 2.522 13 HE ARG 2 HE ARG 2 -5.975 0.008 1.561 14 HH11 ARG 2 1HH1 ARG 2 -6.291 3.233 3.027 15 HH12 ARG 2 2HH1 ARG 2 -7.991 3.256 2.877 16 HH21 ARG 2 1HH2 ARG 2 -8.288 0.106 1.334 17 HH22 ARG 2 2HH2 ARG 2 -9.148 1.478 1.878 18 H ILE 3 H ILE 3 -2.896 3.867 2.649 19 HA ILE 3 HA ILE 3 -0.282 4.745 2.337 20 HB ILE 3 HB ILE 3 -0.102 4.709 4.826 21 HG12 ILE 3 2HG1 ILE 3 -2.909 3.573 4.743 22 HG13 ILE 3 1HG1 ILE 3 -1.466 2.669 5.182 23 HG21 ILE 3 1HG2 ILE 3 -1.889 6.353 5.248 24 HG22 ILE 3 2HG2 ILE 3 -2.617 5.923 3.699 25 HG23 ILE 3 3HG2 ILE 3 -1.012 6.648 3.750 26 HD11 ILE 3 3HD1 ILE 3 -2.579 5.043 6.652 27 HD12 ILE 3 1HD1 ILE 3 -1.134 4.136 7.100 28 HD13 ILE 3 2HD1 ILE 3 -2.715 3.354 7.144 29 HA HYP 4 HA HYP 4 2.079 1.002 2.376 30 HB2 HYP 4 2HB HYP 4 4.229 2.466 3.771 31 HB3 HYP 4 1HB HYP 4 4.220 1.788 2.136 32 HG HYP 4 HG HYP 4 4.152 4.407 2.345 33 HD22 HYP 4 2HD1 HYP 4 2.388 4.472 4.025 34 HD23 HYP 4 1HD1 HYP 4 1.594 4.898 2.484 35 HD1 HYP 4 2HD HYP 4 2.004 3.342 0.981 36 H ASN 5 H ASN 5 3.226 -0.485 3.751 37 HA ASN 5 HA ASN 5 3.553 -1.761 5.521 38 HB2 ASN 5 2HB ASN 5 3.067 0.774 7.071 39 HB3 ASN 5 1HB ASN 5 3.273 -0.762 7.900 40 HD21 ASN 5 1HD2 ASN 5 5.119 0.108 8.872 41 HD22 ASN 5 2HD2 ASN 5 6.629 0.226 8.042 42 H GLN 6 H GLN 6 0.656 -0.580 4.684 43 HA GLN 6 HA GLN 6 -0.914 -2.074 6.590 44 HB2 GLN 6 2HB GLN 6 -1.631 -0.544 4.097 45 HB3 GLN 6 1HB GLN 6 -2.805 -1.492 5.002 46 HG2 GLN 6 2HG GLN 6 -1.179 0.749 6.152 47 HG3 GLN 6 1HG GLN 6 -2.833 0.907 5.552 48 HE21 GLN 6 1HE2 GLN 6 -4.496 -0.067 6.690 49 HE22 GLN 6 2HE2 GLN 6 -4.328 -0.556 8.324 50 H LYS 7 H LYS 7 -2.391 -3.792 5.873 51 HA LYS 7 HA LYS 7 -0.894 -5.671 4.286 52 HB2 LYS 7 2HB LYS 7 -3.553 -5.970 5.695 53 HB3 LYS 7 1HB LYS 7 -2.644 -7.278 4.960 54 HG2 LYS 7 2HG LYS 7 -1.689 -5.579 7.261 55 HG3 LYS 7 1HG LYS 7 -2.395 -7.183 7.422 56 HD2 LYS 7 2HD LYS 7 0.115 -6.583 5.839 57 HD3 LYS 7 1HD LYS 7 0.101 -7.112 7.515 58 HE2 LYS 7 2HE LYS 7 -1.123 -8.679 5.239 59 HE3 LYS 7 1HE LYS 7 0.499 -8.942 5.863 60 HZ1 LYS 7 3HZ LYS 7 -1.044 -10.486 6.833 61 HZ2 LYS 7 1HZ LYS 7 -2.019 -9.245 7.429 62 HZ3 LYS 7 2HZ LYS 7 -0.455 -9.465 8.016 63 H CYS 8 H CYS 8 -1.182 -6.080 2.256 64 HA CYS 8 HA CYS 8 -3.701 -5.381 0.941 65 HB2 CYS 8 2HB CYS 8 -2.243 -4.729 -1.043 66 HB3 CYS 8 1HB CYS 8 -2.208 -3.620 0.327 67 H PHE 9 H PHE 9 -4.364 -6.875 -0.572 68 HA PHE 9 HA PHE 9 -2.631 -9.185 -0.998 69 HB2 PHE 9 2HB PHE 9 -5.554 -9.275 -0.193 70 HB3 PHE 9 1HB PHE 9 -4.641 -10.662 -0.757 71 HD1 PHE 9 2HD PHE 9 -2.969 -11.714 0.653 72 HD2 PHE 9 1HD PHE 9 -5.190 -8.358 2.041 73 HE1 PHE 9 2HE PHE 9 -2.252 -12.190 2.948 74 HE2 PHE 9 1HE PHE 9 -4.477 -8.836 4.342 75 HZ PHE 9 HZ PHE 9 -3.005 -10.755 4.798 76 H GLN 10 H GLN 10 -3.909 -10.634 -2.730 77 HA GLN 10 HA GLN 10 -3.635 -9.122 -5.084 78 HB2 GLN 10 2HB GLN 10 -4.624 -11.917 -4.654 79 HB3 GLN 10 1HB GLN 10 -4.329 -11.216 -6.237 80 HG2 GLN 10 2HG GLN 10 -1.990 -10.878 -5.686 81 HG3 GLN 10 1HG GLN 10 -2.271 -11.505 -4.065 82 HE21 GLN 10 1HE2 GLN 10 -4.042 -13.642 -4.961 83 HE22 GLN 10 2HE2 GLN 10 -3.019 -14.789 -5.733 84 H HIS 11 H HIS 11 -6.468 -9.771 -3.251 85 HA HIS 11 HA HIS 11 -8.020 -8.518 -5.417 86 HB2 HIS 11 2HB HIS 11 -8.961 -10.443 -3.274 87 HB3 HIS 11 1HB HIS 11 -10.051 -9.523 -4.297 88 HD1 HIS 11 1HD HIS 11 -8.486 -12.755 -4.135 89 HD2 HIS 11 2HD HIS 11 -9.495 -10.084 -7.146 90 HE1 HIS 11 1HE HIS 11 -8.614 -14.121 -6.246 91 H LEU 12 H LEU 12 -6.385 -7.520 -3.067 92 HA LEU 12 HA LEU 12 -8.398 -5.705 -1.947 93 HB2 LEU 12 2HB LEU 12 -6.285 -7.216 -0.395 94 HB3 LEU 12 1HB LEU 12 -7.268 -5.929 0.262 95 HG LEU 12 HG LEU 12 -8.340 -8.582 -0.725 96 HD11 LEU 12 1HD1 LEU 12 -7.864 -7.562 2.063 97 HD12 LEU 12 2HD1 LEU 12 -7.021 -8.895 1.261 98 HD13 LEU 12 3HD1 LEU 12 -8.734 -9.038 1.650 99 HD21 LEU 12 3HD2 LEU 12 -9.960 -6.773 -0.918 100 HD22 LEU 12 1HD2 LEU 12 -9.673 -6.328 0.766 101 HD23 LEU 12 2HD2 LEU 12 -10.403 -7.886 0.377 102 H ASP 13 H ASP 13 -6.544 -5.408 -4.049 103 HA ASP 13 HA ASP 13 -4.191 -4.041 -3.096 104 HB2 ASP 13 2HB ASP 13 -5.327 -4.035 -5.893 105 HB3 ASP 13 1HB ASP 13 -3.745 -3.472 -5.410 106 H ASP 14 H ASP 14 -5.161 -2.386 -1.811 107 HA ASP 14 HA ASP 14 -6.611 -0.346 -3.293 108 HB2 ASP 14 2HB ASP 14 -5.718 -0.357 -0.406 109 HB3 ASP 14 1HB ASP 14 -6.576 0.983 -1.159 110 H CYS 15 H CYS 15 -3.484 -1.144 -2.666 111 HA CYS 15 HA CYS 15 -2.337 1.483 -3.048 112 HB2 CYS 15 2HB CYS 15 -1.043 -1.239 -3.404 113 HB3 CYS 15 1HB CYS 15 -0.233 0.292 -3.074 114 H CYS 16 H CYS 16 -2.301 2.383 -5.124 115 HA CYS 16 HA CYS 16 -3.691 0.987 -6.969 116 HB2 CYS 16 2HB CYS 16 -2.190 3.572 -7.275 117 HB3 CYS 16 1HB CYS 16 -3.222 2.910 -8.541 118 H SER 17 H SER 17 -0.295 1.432 -6.546 119 HA SER 17 HA SER 17 0.544 0.474 -9.111 120 HB2 SER 17 2HB SER 17 2.185 0.727 -6.598 121 HB3 SER 17 1HB SER 17 2.732 0.854 -8.273 122 HG SER 17 HG SER 17 2.303 2.876 -8.188 123 H ARG 18 H ARG 18 -0.745 -1.025 -6.408 124 HA ARG 18 HA ARG 18 -0.798 -3.043 -5.439 125 HB2 ARG 18 2HB ARG 18 0.269 -3.988 -8.078 126 HB3 ARG 18 1HB ARG 18 -0.567 -4.963 -6.876 127 HG2 ARG 18 2HG ARG 18 -2.544 -3.525 -7.151 128 HG3 ARG 18 1HG ARG 18 -1.698 -2.684 -8.454 129 HD2 ARG 18 2HD ARG 18 -3.049 -4.282 -9.436 130 HD3 ARG 18 1HD ARG 18 -1.367 -4.862 -9.507 131 HE ARG 18 HE ARG 18 -2.765 -5.810 -7.216 132 HH11 ARG 18 1HH1 ARG 18 -2.087 -6.583 -10.611 133 HH12 ARG 18 2HH1 ARG 18 -2.681 -8.176 -10.494 134 HH21 ARG 18 1HH2 ARG 18 -3.646 -7.881 -7.092 135 HH22 ARG 18 2HH2 ARG 18 -3.570 -8.967 -8.429 136 H LYS 19 H LYS 19 1.655 -1.527 -5.163 137 HA LYS 19 HA LYS 19 3.817 -3.412 -5.365 138 HB2 LYS 19 2HB LYS 19 3.748 -0.759 -5.639 139 HB3 LYS 19 1HB LYS 19 4.047 -0.818 -3.913 140 HG2 LYS 19 2HG LYS 19 6.086 -2.107 -4.297 141 HG3 LYS 19 1HG LYS 19 5.766 -2.092 -6.028 142 HD2 LYS 19 2HD LYS 19 5.782 0.421 -5.919 143 HD3 LYS 19 1HD LYS 19 6.369 0.274 -4.264 144 HE2 LYS 19 2HE LYS 19 7.734 -0.806 -6.733 145 HE3 LYS 19 1HE LYS 19 8.196 0.644 -5.848 146 HZ1 LYS 19 3HZ LYS 19 9.582 -1.212 -5.273 147 HZ2 LYS 19 1HZ LYS 19 8.264 -2.134 -4.799 148 HZ3 LYS 19 2HZ LYS 19 8.718 -0.738 -3.933 149 H CYS 20 H CYS 20 3.572 -5.014 -3.927 150 HA CYS 20 HA CYS 20 3.307 -4.284 -1.096 151 HB2 CYS 20 2HB CYS 20 2.028 -6.635 -2.519 152 HB3 CYS 20 1HB CYS 20 2.026 -6.395 -0.778 153 H ASN 21 H ASN 21 4.550 -5.492 0.323 154 HA ASN 21 HA ASN 21 6.754 -6.870 -0.968 155 HB2 ASN 21 2HB ASN 21 7.947 -6.723 1.164 156 HB3 ASN 21 1HB ASN 21 7.320 -5.161 0.704 157 HD21 ASN 21 1HD2 ASN 21 7.507 -4.452 2.812 158 HD22 ASN 21 2HD2 ASN 21 6.390 -4.856 4.048 159 H ARG 22 H ARG 22 7.673 -8.684 0.633 160 HA ARG 22 HA ARG 22 6.061 -10.936 0.160 161 HB2 ARG 22 2HB ARG 22 7.740 -12.201 1.413 162 HB3 ARG 22 1HB ARG 22 8.454 -11.120 0.224 163 HG2 ARG 22 2HG ARG 22 8.967 -9.531 2.017 164 HG3 ARG 22 1HG ARG 22 8.285 -10.654 3.193 165 HD2 ARG 22 2HD ARG 22 9.927 -12.324 2.588 166 HD3 ARG 22 1HD ARG 22 10.563 -11.252 1.342 167 HE ARG 22 HE ARG 22 10.962 -9.725 3.393 168 HH11 ARG 22 1HH1 ARG 22 11.404 -13.242 3.277 169 HH12 ARG 22 2HH1 ARG 22 12.677 -13.254 4.399 170 HH21 ARG 22 1HH2 ARG 22 12.742 -9.767 4.936 171 HH22 ARG 22 2HH2 ARG 22 13.445 -11.261 5.357 172 H PHE 23 H PHE 23 5.983 -8.797 2.838 173 HA PHE 23 HA PHE 23 4.849 -10.790 4.624 174 HB2 PHE 23 2HB PHE 23 5.415 -7.848 5.035 175 HB3 PHE 23 1HB PHE 23 4.869 -8.966 6.280 176 HD1 PHE 23 2HD PHE 23 6.366 -11.067 6.615 177 HD2 PHE 23 1HD PHE 23 7.669 -7.451 4.786 178 HE1 PHE 23 2HE PHE 23 8.665 -11.660 7.109 179 HE2 PHE 23 1HE PHE 23 9.986 -8.031 5.278 180 HZ PHE 23 HZ PHE 23 10.509 -10.142 6.448 181 H ASN 24 H ASN 24 3.803 -9.158 2.093 182 HA ASN 24 HA ASN 24 1.891 -8.502 1.227 183 HB2 ASN 24 2HB ASN 24 0.663 -9.796 3.678 184 HB3 ASN 24 1HB ASN 24 -0.316 -9.036 2.431 185 HD21 ASN 24 1HD2 ASN 24 1.591 -11.794 3.290 186 HD22 ASN 24 2HD2 ASN 24 1.235 -12.710 1.871 187 H LYS 25 H LYS 25 3.481 -6.863 2.990 188 HA LYS 25 HA LYS 25 1.525 -4.896 3.858 189 HB2 LYS 25 2HB LYS 25 4.516 -4.936 4.109 190 HB3 LYS 25 1HB LYS 25 3.457 -3.686 4.736 191 HG2 LYS 25 2HG LYS 25 2.414 -5.366 6.213 192 HG3 LYS 25 1HG LYS 25 3.580 -6.559 5.620 193 HD2 LYS 25 2HD LYS 25 5.377 -5.035 6.274 194 HD3 LYS 25 1HD LYS 25 4.175 -3.979 7.012 195 HE2 LYS 25 2HE LYS 25 4.737 -6.843 7.817 196 HE3 LYS 25 1HE LYS 25 5.269 -5.414 8.691 197 HZ1 LYS 25 3HZ LYS 25 3.328 -6.354 9.698 198 HZ2 LYS 25 1HZ LYS 25 2.457 -6.260 8.264 199 HZ3 LYS 25 2HZ LYS 25 2.920 -4.844 9.058 200 H CYS 26 H CYS 26 1.236 -3.105 2.735 201 HA CYS 26 HA CYS 26 2.094 -2.862 0.056 202 HB2 CYS 26 2HB CYS 26 -0.041 -1.997 1.000 203 HB3 CYS 26 1HB CYS 26 0.870 -0.775 1.869 204 H VAL 27 H VAL 27 3.746 -1.684 -0.817 205 HA VAL 27 HA VAL 27 5.345 -0.159 1.066 206 HB VAL 27 HB VAL 27 7.389 -0.709 -0.382 207 HG11 VAL 27 1HG1 VAL 27 7.785 -2.855 0.747 208 HG12 VAL 27 2HG1 VAL 27 6.069 -2.958 1.139 209 HG13 VAL 27 3HG1 VAL 27 7.056 -1.673 1.834 210 HG21 VAL 27 3HG2 VAL 27 5.586 -2.938 -1.329 211 HG22 VAL 27 1HG2 VAL 27 7.317 -2.826 -1.626 212 HG23 VAL 27 2HG2 VAL 27 6.221 -1.627 -2.328 213 H LEU 28 H LEU 28 6.319 1.694 0.368 214 HA LEU 28 HA LEU 28 4.522 3.227 -1.170 215 HB2 LEU 28 2HB LEU 28 5.711 4.100 0.753 216 HB3 LEU 28 1HB LEU 28 7.230 3.943 -0.126 217 HG LEU 28 HG LEU 28 6.323 5.644 -1.758 218 HD11 LEU 28 1HD1 LEU 28 4.506 7.077 -1.052 219 HD12 LEU 28 2HD1 LEU 28 4.286 6.115 0.402 220 HD13 LEU 28 3HD1 LEU 28 3.929 5.411 -1.165 221 HD21 LEU 28 3HD2 LEU 28 6.688 6.492 1.111 222 HD22 LEU 28 1HD2 LEU 28 6.818 7.545 -0.297 223 HD23 LEU 28 2HD2 LEU 28 7.969 6.229 -0.072 224 HA PRO 29 HA PRO 29 6.561 2.906 -5.177 225 HB2 PRO 29 2HB PRO 29 4.659 4.968 -5.981 226 HB3 PRO 29 1HB PRO 29 4.763 3.302 -6.548 227 HG2 PRO 29 2HG PRO 29 2.744 4.286 -4.965 228 HG3 PRO 29 1HG PRO 29 3.196 2.578 -5.075 229 HD2 PRO 29 2HD PRO 29 3.797 4.534 -2.881 230 HD3 PRO 29 1HD PRO 29 3.577 2.771 -2.857 231 H GLU 30 H GLU 30 8.441 3.970 -5.038 232 HA GLU 30 HA GLU 30 8.705 6.530 -3.828 233 HB2 GLU 30 2HB GLU 30 11.079 6.290 -4.151 234 HB3 GLU 30 1HB GLU 30 10.426 4.748 -3.641 235 HG2 GLU 30 2HG GLU 30 11.332 5.518 -6.417 236 HG3 GLU 30 1HG GLU 30 12.116 4.395 -5.316 237 H THR 31 H THR 31 8.019 5.581 -6.986 238 HA THR 31 HA THR 31 8.823 8.204 -8.030 239 HB THR 31 HB THR 31 8.149 5.722 -9.652 240 HG1 THR 31 1HG THR 31 9.909 5.259 -8.283 241 HG21 THR 31 3HG2 THR 31 9.497 6.833 -11.385 242 HG22 THR 31 1HG2 THR 31 9.821 8.175 -10.285 243 HG23 THR 31 2HG2 THR 31 8.181 7.887 -10.866 244 H GLY 32 H GLY 32 6.315 6.971 -6.557 245 HA2 GLY 32 2HA GLY 32 4.346 8.335 -8.203 246 HA3 GLY 32 1HA GLY 32 4.057 6.640 -7.827 247 H GLY 33 H GLY 33 2.469 6.633 -6.370 248 HA2 GLY 33 2HA GLY 33 2.985 7.784 -3.788 249 HA3 GLY 33 1HA GLY 33 1.618 8.492 -4.650 250 H GLY 34 H GLY 34 1.542 6.939 -2.205 251 HA2 GLY 34 2HA GLY 34 0.410 4.400 -3.082 252 HA3 GLY 34 1HA GLY 34 0.808 4.851 -1.431 Start of MODEL 8 1 H1 CYS 1 H CYS 1 -0.090 6.839 -2.351 2 HA CYS 1 HA CYS 1 -2.329 5.048 -2.963 3 HB2 CYS 1 2HB CYS 1 0.463 4.362 -2.116 4 HB3 CYS 1 1HB CYS 1 -0.719 3.294 -2.850 5 H ARG 2 H ARG 2 -2.469 3.159 -1.391 6 HA ARG 2 HA ARG 2 -3.020 3.970 1.233 7 HB2 ARG 2 2HB ARG 2 -3.939 1.941 0.154 8 HB3 ARG 2 1HB ARG 2 -2.351 1.202 0.222 9 HG2 ARG 2 2HG ARG 2 -3.840 0.368 1.972 10 HG3 ARG 2 1HG ARG 2 -2.412 1.188 2.614 11 HD2 ARG 2 2HD ARG 2 -4.579 1.707 3.804 12 HD3 ARG 2 1HD ARG 2 -3.673 3.105 3.240 13 HE ARG 2 HE ARG 2 -5.299 2.864 1.226 14 HH11 ARG 2 1HH1 ARG 2 -6.174 2.473 4.679 15 HH12 ARG 2 2HH1 ARG 2 -7.777 2.954 4.423 16 HH21 ARG 2 1HH2 ARG 2 -7.499 3.542 0.962 17 HH22 ARG 2 2HH2 ARG 2 -8.556 3.545 2.295 18 H ILE 3 H ILE 3 -1.811 4.116 3.040 19 HA ILE 3 HA ILE 3 0.898 4.445 3.016 20 HB ILE 3 HB ILE 3 0.873 4.084 5.507 21 HG12 ILE 3 2HG1 ILE 3 -2.087 3.580 5.065 22 HG13 ILE 3 1HG1 ILE 3 -0.909 2.375 5.568 23 HG21 ILE 3 1HG2 ILE 3 0.507 6.268 4.571 24 HG22 ILE 3 2HG2 ILE 3 -0.536 6.043 5.976 25 HG23 ILE 3 3HG2 ILE 3 -1.205 5.922 4.350 26 HD11 ILE 3 3HD1 ILE 3 -0.535 3.603 7.641 27 HD12 ILE 3 1HD1 ILE 3 -2.234 3.173 7.447 28 HD13 ILE 3 2HD1 ILE 3 -1.700 4.825 7.132 29 HA HYP 4 HA HYP 4 2.712 0.532 2.394 30 HB2 HYP 4 2HB HYP 4 5.220 1.059 3.158 31 HB3 HYP 4 1HB HYP 4 4.496 1.789 1.717 32 HG HYP 4 HG HYP 4 4.865 2.946 4.445 33 HD22 HYP 4 2HD1 HYP 4 2.895 4.237 4.169 34 HD23 HYP 4 1HD1 HYP 4 2.989 4.123 2.400 35 HD1 HYP 4 2HD HYP 4 5.741 4.438 3.425 36 H ASN 5 H ASN 5 1.345 0.565 4.832 37 HA ASN 5 HA ASN 5 3.027 -1.315 6.304 38 HB2 ASN 5 2HB ASN 5 3.145 0.844 7.532 39 HB3 ASN 5 1HB ASN 5 1.394 0.826 7.697 40 HD21 ASN 5 1HD2 ASN 5 4.375 -0.574 8.729 41 HD22 ASN 5 2HD2 ASN 5 3.743 -1.395 10.113 42 H GLN 6 H GLN 6 -0.070 -0.367 5.190 43 HA GLN 6 HA GLN 6 -1.540 -2.337 6.664 44 HB2 GLN 6 2HB GLN 6 -2.236 -0.807 4.145 45 HB3 GLN 6 1HB GLN 6 -3.354 -1.796 5.068 46 HG2 GLN 6 2HG GLN 6 -1.962 0.657 6.108 47 HG3 GLN 6 1HG GLN 6 -3.599 0.627 5.465 48 HE21 GLN 6 1HE2 GLN 6 -4.470 1.323 7.351 49 HE22 GLN 6 2HE2 GLN 6 -4.564 0.361 8.780 50 H LYS 7 H LYS 7 -2.666 -4.121 5.421 51 HA LYS 7 HA LYS 7 -0.687 -5.498 3.885 52 HB2 LYS 7 2HB LYS 7 -3.530 -6.285 4.427 53 HB3 LYS 7 1HB LYS 7 -2.293 -7.299 3.714 54 HG2 LYS 7 2HG LYS 7 -1.018 -7.069 5.858 55 HG3 LYS 7 1HG LYS 7 -2.455 -6.281 6.527 56 HD2 LYS 7 2HD LYS 7 -2.806 -8.528 7.107 57 HD3 LYS 7 1HD LYS 7 -3.700 -8.276 5.593 58 HE2 LYS 7 2HE LYS 7 -2.507 -10.380 5.494 59 HE3 LYS 7 1HE LYS 7 -1.876 -9.247 4.307 60 HZ1 LYS 7 3HZ LYS 7 -0.104 -10.420 5.452 61 HZ2 LYS 7 1HZ LYS 7 -0.679 -9.890 6.934 62 HZ3 LYS 7 2HZ LYS 7 -0.019 -8.780 5.851 63 H CYS 8 H CYS 8 -1.468 -6.614 1.882 64 HA CYS 8 HA CYS 8 -3.003 -4.699 0.290 65 HB2 CYS 8 2HB CYS 8 -1.673 -5.419 -1.676 66 HB3 CYS 8 1HB CYS 8 -0.678 -4.671 -0.432 67 H PHE 9 H PHE 9 -4.659 -5.492 -0.838 68 HA PHE 9 HA PHE 9 -5.083 -8.372 -0.656 69 HB2 PHE 9 2HB PHE 9 -7.122 -6.182 -0.203 70 HB3 PHE 9 1HB PHE 9 -7.506 -7.892 -0.291 71 HD1 PHE 9 2HD PHE 9 -6.812 -9.409 1.518 72 HD2 PHE 9 1HD PHE 9 -6.122 -5.215 1.750 73 HE1 PHE 9 2HE PHE 9 -6.393 -9.613 3.927 74 HE2 PHE 9 1HE PHE 9 -5.701 -5.414 4.149 75 HZ PHE 9 HZ PHE 9 -5.838 -7.618 5.251 76 H GLN 10 H GLN 10 -6.569 -9.166 -2.246 77 HA GLN 10 HA GLN 10 -6.014 -8.317 -4.849 78 HB2 GLN 10 2HB GLN 10 -8.048 -10.190 -3.709 79 HB3 GLN 10 1HB GLN 10 -7.939 -9.908 -5.436 80 HG2 GLN 10 2HG GLN 10 -5.726 -10.933 -3.669 81 HG3 GLN 10 1HG GLN 10 -6.709 -11.907 -4.764 82 HE21 GLN 10 1HE2 GLN 10 -6.759 -9.894 -6.865 83 HE22 GLN 10 2HE2 GLN 10 -5.193 -9.860 -7.561 84 H HIS 11 H HIS 11 -8.496 -7.385 -2.694 85 HA HIS 11 HA HIS 11 -9.929 -5.976 -4.813 86 HB2 HIS 11 2HB HIS 11 -11.673 -5.612 -3.022 87 HB3 HIS 11 1HB HIS 11 -11.430 -7.282 -3.506 88 HD1 HIS 11 1HD HIS 11 -10.904 -8.913 -1.645 89 HD2 HIS 11 2HD HIS 11 -10.506 -4.950 -0.471 90 HE1 HIS 11 1HE HIS 11 -10.480 -8.961 0.854 91 H LEU 12 H LEU 12 -7.345 -5.263 -3.078 92 HA LEU 12 HA LEU 12 -8.311 -2.688 -2.165 93 HB2 LEU 12 2HB LEU 12 -7.036 -4.005 -0.548 94 HB3 LEU 12 1HB LEU 12 -5.681 -4.072 -1.658 95 HG LEU 12 HG LEU 12 -5.466 -1.627 -1.494 96 HD11 LEU 12 1HD1 LEU 12 -6.603 -0.466 0.366 97 HD12 LEU 12 2HD1 LEU 12 -7.562 -1.924 0.639 98 HD13 LEU 12 3HD1 LEU 12 -7.721 -1.032 -0.875 99 HD21 LEU 12 3HD2 LEU 12 -5.321 -3.144 1.101 100 HD22 LEU 12 1HD2 LEU 12 -4.531 -1.599 0.779 101 HD23 LEU 12 2HD2 LEU 12 -4.072 -3.024 -0.144 102 H ASP 13 H ASP 13 -8.451 -1.507 -3.947 103 HA ASP 13 HA ASP 13 -6.163 -1.381 -5.772 104 HB2 ASP 13 2HB ASP 13 -8.996 -0.385 -6.053 105 HB3 ASP 13 1HB ASP 13 -7.726 0.060 -7.181 106 H ASP 14 H ASP 14 -6.773 -0.107 -3.055 107 HA ASP 14 HA ASP 14 -6.434 2.710 -3.565 108 HB2 ASP 14 2HB ASP 14 -7.549 1.671 -1.525 109 HB3 ASP 14 1HB ASP 14 -5.937 1.244 -0.972 110 H CYS 15 H CYS 15 -4.452 -0.047 -3.084 111 HA CYS 15 HA CYS 15 -1.963 1.409 -2.965 112 HB2 CYS 15 2HB CYS 15 -2.572 -1.494 -3.623 113 HB3 CYS 15 1HB CYS 15 -0.953 -0.835 -3.409 114 H CYS 16 H CYS 16 -1.450 2.610 -4.753 115 HA CYS 16 HA CYS 16 -2.886 2.631 -6.978 116 HB2 CYS 16 2HB CYS 16 0.006 3.452 -6.938 117 HB3 CYS 16 1HB CYS 16 -1.302 4.158 -7.887 118 H SER 17 H SER 17 0.296 1.050 -6.550 119 HA SER 17 HA SER 17 0.130 -0.076 -9.218 120 HB2 SER 17 2HB SER 17 2.391 -0.127 -7.214 121 HB3 SER 17 1HB SER 17 2.483 -0.674 -8.889 122 HG SER 17 HG SER 17 2.812 1.257 -9.446 123 H ARG 18 H ARG 18 -1.184 -0.976 -6.437 124 HA ARG 18 HA ARG 18 -1.612 -2.859 -5.197 125 HB2 ARG 18 2HB ARG 18 -1.193 -4.090 -7.922 126 HB3 ARG 18 1HB ARG 18 -1.949 -4.913 -6.568 127 HG2 ARG 18 2HG ARG 18 -3.803 -3.392 -6.601 128 HG3 ARG 18 1HG ARG 18 -3.003 -2.378 -7.807 129 HD2 ARG 18 2HD ARG 18 -3.075 -4.143 -9.406 130 HD3 ARG 18 1HD ARG 18 -3.763 -5.255 -8.221 131 HE ARG 18 HE ARG 18 -5.567 -3.257 -8.273 132 HH11 ARG 18 1HH1 ARG 18 -4.117 -5.090 -10.955 133 HH12 ARG 18 2HH1 ARG 18 -5.520 -5.007 -11.914 134 HH21 ARG 18 1HH2 ARG 18 -7.400 -3.193 -9.533 135 HH22 ARG 18 2HH2 ARG 18 -7.478 -3.931 -11.094 136 H LYS 19 H LYS 19 1.101 -2.014 -5.193 137 HA LYS 19 HA LYS 19 2.804 -4.289 -5.605 138 HB2 LYS 19 2HB LYS 19 3.414 -1.928 -6.216 139 HB3 LYS 19 1HB LYS 19 3.475 -1.559 -4.505 140 HG2 LYS 19 2HG LYS 19 5.705 -1.905 -5.344 141 HG3 LYS 19 1HG LYS 19 5.279 -3.212 -4.239 142 HD2 LYS 19 2HD LYS 19 4.805 -4.679 -6.099 143 HD3 LYS 19 1HD LYS 19 5.124 -3.371 -7.241 144 HE2 LYS 19 2HE LYS 19 7.433 -3.255 -6.454 145 HE3 LYS 19 1HE LYS 19 7.108 -4.553 -5.310 146 HZ1 LYS 19 3HZ LYS 19 8.209 -5.297 -7.358 147 HZ2 LYS 19 1HZ LYS 19 6.872 -4.834 -8.259 148 HZ3 LYS 19 2HZ LYS 19 6.724 -6.061 -7.128 149 H CYS 20 H CYS 20 3.521 -5.603 -4.068 150 HA CYS 20 HA CYS 20 2.828 -5.032 -1.276 151 HB2 CYS 20 2HB CYS 20 2.967 -7.692 -2.689 152 HB3 CYS 20 1HB CYS 20 2.549 -7.435 -1.002 153 H ASN 21 H ASN 21 4.301 -5.707 0.247 154 HA ASN 21 HA ASN 21 6.988 -6.297 -0.765 155 HB2 ASN 21 2HB ASN 21 7.863 -5.663 1.455 156 HB3 ASN 21 1HB ASN 21 6.899 -4.370 0.774 157 HD21 ASN 21 1HD2 ASN 21 6.738 -3.508 2.843 158 HD22 ASN 21 2HD2 ASN 21 5.669 -4.150 4.032 159 H ARG 22 H ARG 22 8.208 -7.609 1.191 160 HA ARG 22 HA ARG 22 7.376 -10.252 0.801 161 HB2 ARG 22 2HB ARG 22 9.163 -10.861 2.390 162 HB3 ARG 22 1HB ARG 22 9.696 -9.720 1.164 163 HG2 ARG 22 2HG ARG 22 9.391 -7.895 2.807 164 HG3 ARG 22 1HG ARG 22 8.987 -9.102 4.016 165 HD2 ARG 22 2HD ARG 22 11.175 -10.095 3.839 166 HD3 ARG 22 1HD ARG 22 11.596 -9.013 2.510 167 HE ARG 22 HE ARG 22 10.955 -7.290 4.420 168 HH11 ARG 22 1HH1 ARG 22 13.167 -10.060 4.448 169 HH12 ARG 22 2HH1 ARG 22 14.166 -9.442 5.670 170 HH21 ARG 22 1HH2 ARG 22 12.352 -6.436 6.125 171 HH22 ARG 22 2HH2 ARG 22 13.676 -7.341 6.671 172 H PHE 23 H PHE 23 6.096 -8.050 3.044 173 HA PHE 23 HA PHE 23 5.311 -10.209 4.861 174 HB2 PHE 23 2HB PHE 23 5.246 -7.217 5.279 175 HB3 PHE 23 1HB PHE 23 4.743 -8.419 6.460 176 HD1 PHE 23 2HD PHE 23 6.589 -10.269 6.932 177 HD2 PHE 23 1HD PHE 23 7.353 -6.348 5.472 178 HE1 PHE 23 2HE PHE 23 8.887 -10.416 7.755 179 HE2 PHE 23 1HE PHE 23 9.649 -6.486 6.289 180 HZ PHE 23 HZ PHE 23 10.432 -8.522 7.440 181 H ASN 24 H ASN 24 4.211 -9.079 2.139 182 HA ASN 24 HA ASN 24 2.222 -8.932 1.074 183 HB2 ASN 24 2HB ASN 24 1.670 -10.965 2.529 184 HB3 ASN 24 1HB ASN 24 0.896 -9.857 3.652 185 HD21 ASN 24 1HD2 ASN 24 0.764 -9.739 0.105 186 HD22 ASN 24 2HD2 ASN 24 -0.922 -10.026 -0.009 187 H LYS 25 H LYS 25 3.376 -6.826 2.754 188 HA LYS 25 HA LYS 25 1.049 -5.254 3.426 189 HB2 LYS 25 2HB LYS 25 3.970 -4.756 3.809 190 HB3 LYS 25 1HB LYS 25 2.723 -3.570 4.169 191 HG2 LYS 25 2HG LYS 25 1.736 -5.133 5.780 192 HG3 LYS 25 1HG LYS 25 3.048 -6.271 5.448 193 HD2 LYS 25 2HD LYS 25 4.658 -4.645 6.125 194 HD3 LYS 25 1HD LYS 25 3.384 -3.461 6.417 195 HE2 LYS 25 2HE LYS 25 3.738 -6.074 7.897 196 HE3 LYS 25 1HE LYS 25 4.134 -4.473 8.518 197 HZ1 LYS 25 3HZ LYS 25 1.436 -5.543 7.898 198 HZ2 LYS 25 1HZ LYS 25 1.725 -3.906 8.220 199 HZ3 LYS 25 2HZ LYS 25 2.046 -5.067 9.388 200 H CYS 26 H CYS 26 1.030 -3.053 2.659 201 HA CYS 26 HA CYS 26 1.311 -3.114 -0.227 202 HB2 CYS 26 2HB CYS 26 -0.790 -2.333 0.825 203 HB3 CYS 26 1HB CYS 26 0.099 -1.056 1.641 204 H VAL 27 H VAL 27 2.667 -1.729 -1.369 205 HA VAL 27 HA VAL 27 4.143 0.251 0.129 206 HB VAL 27 HB VAL 27 6.288 -0.332 -1.067 207 HG11 VAL 27 1HG1 VAL 27 6.008 -0.929 1.261 208 HG12 VAL 27 2HG1 VAL 27 6.941 -2.165 0.413 209 HG13 VAL 27 3HG1 VAL 27 5.243 -2.450 0.801 210 HG21 VAL 27 3HG2 VAL 27 6.576 -2.599 -1.925 211 HG22 VAL 27 1HG2 VAL 27 5.378 -1.686 -2.840 212 HG23 VAL 27 2HG2 VAL 27 4.855 -2.906 -1.675 213 H LEU 28 H LEU 28 5.099 1.866 -1.185 214 HA LEU 28 HA LEU 28 3.432 2.420 -3.488 215 HB2 LEU 28 2HB LEU 28 5.300 4.124 -1.836 216 HB3 LEU 28 1HB LEU 28 4.615 4.691 -3.337 217 HG LEU 28 HG LEU 28 2.355 4.424 -2.357 218 HD11 LEU 28 1HD1 LEU 28 2.089 4.234 0.066 219 HD12 LEU 28 2HD1 LEU 28 3.823 3.961 0.234 220 HD13 LEU 28 3HD1 LEU 28 2.823 2.782 -0.617 221 HD21 LEU 28 3HD2 LEU 28 3.423 6.578 -2.410 222 HD22 LEU 28 1HD2 LEU 28 4.230 6.245 -0.877 223 HD23 LEU 28 2HD2 LEU 28 2.474 6.408 -0.934 224 HA PRO 29 HA PRO 29 6.762 1.749 -6.376 225 HB2 PRO 29 2HB PRO 29 6.091 3.466 -8.356 226 HB3 PRO 29 1HB PRO 29 5.171 1.988 -8.056 227 HG2 PRO 29 2HG PRO 29 4.571 4.794 -7.205 228 HG3 PRO 29 1HG PRO 29 3.478 3.579 -7.895 229 HD2 PRO 29 2HD PRO 29 3.590 4.091 -5.240 230 HD3 PRO 29 1HD PRO 29 3.228 2.478 -5.887 231 H GLU 30 H GLU 30 8.300 3.226 -7.783 232 HA GLU 30 HA GLU 30 9.867 4.691 -5.984 233 HB2 GLU 30 2HB GLU 30 10.675 3.482 -8.015 234 HB3 GLU 30 1HB GLU 30 9.997 4.766 -8.995 235 HG2 GLU 30 2HG GLU 30 12.405 5.033 -8.684 236 HG3 GLU 30 1HG GLU 30 11.497 6.379 -7.991 237 H THR 31 H THR 31 7.447 5.712 -8.278 238 HA THR 31 HA THR 31 8.112 8.481 -7.960 239 HB THR 31 HB THR 31 5.941 8.738 -9.324 240 HG1 THR 31 1HG THR 31 5.131 6.735 -8.916 241 HG21 THR 31 3HG2 THR 31 8.316 7.225 -10.438 242 HG22 THR 31 1HG2 THR 31 8.189 8.977 -10.281 243 HG23 THR 31 2HG2 THR 31 7.132 8.111 -11.397 244 H GLY 32 H GLY 32 6.673 6.452 -5.859 245 HA2 GLY 32 2HA GLY 32 5.561 6.884 -3.913 246 HA3 GLY 32 1HA GLY 32 5.537 8.585 -4.352 247 H GLY 33 H GLY 33 3.638 9.419 -4.749 248 HA2 GLY 33 2HA GLY 33 1.560 9.489 -5.906 249 HA3 GLY 33 1HA GLY 33 1.525 7.729 -5.878 250 H GLY 34 H GLY 34 -0.702 8.954 -5.112 251 HA2 GLY 34 2HA GLY 34 -0.675 9.168 -2.201 252 HA3 GLY 34 1HA GLY 34 -2.008 9.605 -3.272 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.365 8.167 -1.022 2 HA CYS 1 HA CYS 1 -1.339 8.601 -1.845 3 HB2 CYS 1 2HB CYS 1 0.087 7.753 -3.921 4 HB3 CYS 1 1HB CYS 1 0.065 6.211 -3.076 5 H ARG 2 H ARG 2 -2.075 5.853 -1.657 6 HA ARG 2 HA ARG 2 -2.438 5.374 0.995 7 HB2 ARG 2 2HB ARG 2 -3.483 4.236 -0.992 8 HB3 ARG 2 1HB ARG 2 -2.034 3.260 -1.114 9 HG2 ARG 2 2HG ARG 2 -3.761 2.012 -0.027 10 HG3 ARG 2 1HG ARG 2 -2.483 2.380 1.137 11 HD2 ARG 2 2HD ARG 2 -3.788 4.094 2.133 12 HD3 ARG 2 1HD ARG 2 -4.985 4.024 0.837 13 HE ARG 2 HE ARG 2 -5.011 1.523 1.839 14 HH11 ARG 2 1HH1 ARG 2 -5.459 4.701 3.363 15 HH12 ARG 2 2HH1 ARG 2 -6.447 4.076 4.596 16 HH21 ARG 2 1HH2 ARG 2 -6.331 0.756 3.409 17 HH22 ARG 2 2HH2 ARG 2 -6.969 1.767 4.652 18 H ILE 3 H ILE 3 -1.165 4.820 2.615 19 HA ILE 3 HA ILE 3 1.565 4.706 2.402 20 HB ILE 3 HB ILE 3 1.618 4.017 4.780 21 HG12 ILE 3 2HG1 ILE 3 -1.406 3.930 4.498 22 HG13 ILE 3 1HG1 ILE 3 -0.343 2.557 4.776 23 HG21 ILE 3 1HG2 ILE 3 0.483 6.041 5.621 24 HG22 ILE 3 2HG2 ILE 3 -0.222 6.267 4.015 25 HG23 ILE 3 3HG2 ILE 3 1.523 6.325 4.229 26 HD11 ILE 3 3HD1 ILE 3 -1.450 3.229 6.813 27 HD12 ILE 3 1HD1 ILE 3 -0.774 4.853 6.665 28 HD13 ILE 3 2HD1 ILE 3 0.292 3.474 6.931 29 HA HYP 4 HA HYP 4 2.616 0.470 1.642 30 HB2 HYP 4 2HB HYP 4 5.157 0.781 2.998 31 HB3 HYP 4 1HB HYP 4 4.834 0.785 1.268 32 HG HYP 4 HG HYP 4 5.694 2.988 2.540 33 HD22 HYP 4 2HD1 HYP 4 3.847 3.262 4.037 34 HD23 HYP 4 1HD1 HYP 4 3.360 4.250 2.640 35 HD1 HYP 4 2HD HYP 4 4.696 4.137 0.944 36 H ASN 5 H ASN 5 1.499 1.236 4.455 37 HA ASN 5 HA ASN 5 2.597 -1.123 5.839 38 HB2 ASN 5 2HB ASN 5 2.765 1.100 7.046 39 HB3 ASN 5 1HB ASN 5 1.006 1.127 7.113 40 HD21 ASN 5 1HD2 ASN 5 0.974 1.078 9.358 41 HD22 ASN 5 2HD2 ASN 5 1.382 -0.352 10.247 42 H GLN 6 H GLN 6 0.223 -0.347 3.895 43 HA GLN 6 HA GLN 6 -1.990 -1.545 5.293 44 HB2 GLN 6 2HB GLN 6 -1.692 -0.415 2.523 45 HB3 GLN 6 1HB GLN 6 -3.177 -1.151 3.099 46 HG2 GLN 6 2HG GLN 6 -1.810 1.222 4.333 47 HG3 GLN 6 1HG GLN 6 -3.222 1.285 3.279 48 HE21 GLN 6 1HE2 GLN 6 -4.515 -1.053 4.385 49 HE22 GLN 6 2HE2 GLN 6 -5.027 -0.638 5.974 50 H LYS 7 H LYS 7 -3.272 -3.198 4.070 51 HA LYS 7 HA LYS 7 -1.567 -5.483 3.530 52 HB2 LYS 7 2HB LYS 7 -4.564 -5.160 3.729 53 HB3 LYS 7 1HB LYS 7 -3.745 -6.694 3.514 54 HG2 LYS 7 2HG LYS 7 -3.339 -4.869 5.873 55 HG3 LYS 7 1HG LYS 7 -4.485 -6.212 5.846 56 HD2 LYS 7 2HD LYS 7 -1.503 -6.478 5.404 57 HD3 LYS 7 1HD LYS 7 -2.315 -6.754 6.942 58 HE2 LYS 7 2HE LYS 7 -2.919 -8.280 4.398 59 HE3 LYS 7 1HE LYS 7 -1.847 -8.837 5.668 60 HZ1 LYS 7 3HZ LYS 7 -4.058 -9.782 5.871 61 HZ2 LYS 7 1HZ LYS 7 -4.738 -8.242 6.058 62 HZ3 LYS 7 2HZ LYS 7 -3.671 -8.825 7.206 63 H CYS 8 H CYS 8 -1.217 -6.262 1.486 64 HA CYS 8 HA CYS 8 -2.839 -5.020 -0.636 65 HB2 CYS 8 2HB CYS 8 -0.944 -5.414 -2.133 66 HB3 CYS 8 1HB CYS 8 -0.492 -4.398 -0.766 67 H PHE 9 H PHE 9 -3.778 -6.284 -2.157 68 HA PHE 9 HA PHE 9 -3.087 -9.047 -2.426 69 HB2 PHE 9 2HB PHE 9 -5.882 -8.147 -1.623 70 HB3 PHE 9 1HB PHE 9 -5.569 -9.700 -2.379 71 HD1 PHE 9 1HD PHE 9 -4.063 -11.336 -1.174 72 HD2 PHE 9 2HD PHE 9 -5.632 -7.848 0.693 73 HE1 PHE 9 1HE PHE 9 -3.601 -12.317 1.026 74 HE2 PHE 9 2HE PHE 9 -5.174 -8.822 2.900 75 HZ PHE 9 HZ PHE 9 -4.152 -11.062 3.073 76 H GLN 10 H GLN 10 -4.065 -9.893 -4.413 77 HA GLN 10 HA GLN 10 -3.656 -8.078 -6.531 78 HB2 GLN 10 2HB GLN 10 -4.884 -10.837 -6.527 79 HB3 GLN 10 1HB GLN 10 -4.451 -9.953 -7.978 80 HG2 GLN 10 2HG GLN 10 -2.121 -9.982 -7.362 81 HG3 GLN 10 1HG GLN 10 -2.513 -10.716 -5.810 82 HE21 GLN 10 1HE2 GLN 10 -1.165 -12.444 -6.242 83 HE22 GLN 10 2HE2 GLN 10 -1.586 -13.704 -7.334 84 H HIS 11 H HIS 11 -6.523 -9.265 -4.989 85 HA HIS 11 HA HIS 11 -8.213 -7.806 -6.862 86 HB2 HIS 11 2HB HIS 11 -10.107 -8.972 -5.791 87 HB3 HIS 11 1HB HIS 11 -8.885 -10.101 -6.355 88 HD1 HIS 11 1HD HIS 11 -7.577 -11.455 -4.500 89 HD2 HIS 11 2HD HIS 11 -10.544 -8.918 -3.065 90 HE1 HIS 11 1HE HIS 11 -7.912 -12.080 -2.093 91 H LEU 12 H LEU 12 -6.458 -6.756 -4.469 92 HA LEU 12 HA LEU 12 -8.590 -5.182 -3.282 93 HB2 LEU 12 2HB LEU 12 -7.426 -6.656 -1.694 94 HB3 LEU 12 1HB LEU 12 -5.898 -5.918 -2.134 95 HG LEU 12 HG LEU 12 -6.675 -3.794 -1.229 96 HD11 LEU 12 1HD1 LEU 12 -9.083 -4.061 -1.535 97 HD12 LEU 12 2HD1 LEU 12 -8.722 -3.745 0.163 98 HD13 LEU 12 3HD1 LEU 12 -9.100 -5.382 -0.367 99 HD21 LEU 12 3HD2 LEU 12 -6.577 -4.422 1.127 100 HD22 LEU 12 1HD2 LEU 12 -5.405 -5.327 0.172 101 HD23 LEU 12 2HD2 LEU 12 -6.907 -6.098 0.696 102 H ASP 13 H ASP 13 -8.632 -3.256 -4.104 103 HA ASP 13 HA ASP 13 -6.335 -2.156 -5.536 104 HB2 ASP 13 2HB ASP 13 -9.257 -1.372 -5.464 105 HB3 ASP 13 1HB ASP 13 -8.025 -0.523 -6.384 106 H ASP 14 H ASP 14 -6.952 -2.184 -2.562 107 HA ASP 14 HA ASP 14 -7.500 0.422 -1.679 108 HB2 ASP 14 2HB ASP 14 -7.627 -1.563 -0.211 109 HB3 ASP 14 1HB ASP 14 -5.876 -1.706 -0.268 110 H CYS 15 H CYS 15 -4.422 -1.203 -2.167 111 HA CYS 15 HA CYS 15 -3.021 1.305 -1.790 112 HB2 CYS 15 2HB CYS 15 -1.965 -1.466 -2.329 113 HB3 CYS 15 1HB CYS 15 -0.983 -0.053 -1.973 114 H CYS 16 H CYS 16 -2.336 2.542 -3.293 115 HA CYS 16 HA CYS 16 -3.330 2.654 -5.808 116 HB2 CYS 16 2HB CYS 16 -0.673 3.840 -5.081 117 HB3 CYS 16 1HB CYS 16 -1.978 4.542 -6.040 118 H SER 17 H SER 17 -0.160 1.282 -4.849 119 HA SER 17 HA SER 17 0.639 0.940 -7.548 120 HB2 SER 17 2HB SER 17 2.615 -0.082 -6.400 121 HB3 SER 17 1HB SER 17 2.209 1.581 -5.937 122 HG SER 17 HG SER 17 2.663 0.049 -4.179 123 H ARG 18 H ARG 18 -1.069 -0.932 -5.212 124 HA ARG 18 HA ARG 18 -1.625 -3.109 -4.929 125 HB2 ARG 18 2HB ARG 18 -1.199 -3.173 -7.932 126 HB3 ARG 18 1HB ARG 18 -1.683 -4.598 -7.044 127 HG2 ARG 18 2HG ARG 18 -3.626 -3.679 -8.055 128 HG3 ARG 18 1HG ARG 18 -3.739 -3.348 -6.332 129 HD2 ARG 18 2HD ARG 18 -3.062 -1.053 -6.701 130 HD3 ARG 18 1HD ARG 18 -2.793 -1.381 -8.414 131 HE ARG 18 HE ARG 18 -5.406 -2.091 -7.827 132 HH11 ARG 18 1HH1 ARG 18 -3.508 0.913 -7.910 133 HH12 ARG 18 2HH1 ARG 18 -4.833 1.875 -8.359 134 HH21 ARG 18 1HH2 ARG 18 -7.183 -0.746 -8.431 135 HH22 ARG 18 2HH2 ARG 18 -6.964 0.931 -8.676 136 H LYS 19 H LYS 19 1.286 -2.252 -4.884 137 HA LYS 19 HA LYS 19 2.592 -4.762 -5.577 138 HB2 LYS 19 2HB LYS 19 3.766 -2.151 -4.664 139 HB3 LYS 19 1HB LYS 19 4.706 -3.609 -4.932 140 HG2 LYS 19 2HG LYS 19 3.040 -2.236 -6.996 141 HG3 LYS 19 1HG LYS 19 4.792 -2.023 -6.756 142 HD2 LYS 19 2HD LYS 19 3.484 -4.679 -7.394 143 HD3 LYS 19 1HD LYS 19 4.141 -3.604 -8.618 144 HE2 LYS 19 2HE LYS 19 5.730 -4.770 -6.331 145 HE3 LYS 19 1HE LYS 19 5.684 -5.415 -7.965 146 HZ1 LYS 19 3HZ LYS 19 6.709 -2.723 -7.182 147 HZ2 LYS 19 1HZ LYS 19 6.606 -3.295 -8.763 148 HZ3 LYS 19 2HZ LYS 19 7.625 -4.044 -7.658 149 H CYS 20 H CYS 20 3.901 -5.810 -4.205 150 HA CYS 20 HA CYS 20 3.006 -5.666 -1.407 151 HB2 CYS 20 2HB CYS 20 3.131 -8.085 -3.183 152 HB3 CYS 20 1HB CYS 20 2.989 -8.168 -1.428 153 H ASN 21 H ASN 21 4.443 -6.109 0.102 154 HA ASN 21 HA ASN 21 7.148 -6.773 -0.777 155 HB2 ASN 21 2HB ASN 21 7.937 -5.878 1.400 156 HB3 ASN 21 1HB ASN 21 7.043 -4.674 0.496 157 HD21 ASN 21 1HD2 ASN 21 6.612 -3.466 2.304 158 HD22 ASN 21 2HD2 ASN 21 5.517 -3.942 3.534 159 H ARG 22 H ARG 22 8.296 -7.877 1.299 160 HA ARG 22 HA ARG 22 7.385 -10.528 1.257 161 HB2 ARG 22 2HB ARG 22 9.139 -10.959 2.946 162 HB3 ARG 22 1HB ARG 22 9.709 -10.061 1.546 163 HG2 ARG 22 2HG ARG 22 9.514 -7.974 2.875 164 HG3 ARG 22 1HG ARG 22 9.072 -8.954 4.263 165 HD2 ARG 22 2HD ARG 22 11.191 -10.051 4.268 166 HD3 ARG 22 1HD ARG 22 11.627 -9.318 2.729 167 HE ARG 22 HE ARG 22 11.454 -7.151 3.955 168 HH11 ARG 22 1HH1 ARG 22 12.295 -10.109 5.722 169 HH12 ARG 22 2HH1 ARG 22 13.348 -9.325 6.798 170 HH21 ARG 22 1HH2 ARG 22 12.920 -6.075 5.452 171 HH22 ARG 22 2HH2 ARG 22 13.704 -6.996 6.654 172 H PHE 23 H PHE 23 6.264 -7.986 3.244 173 HA PHE 23 HA PHE 23 5.418 -9.855 5.320 174 HB2 PHE 23 2HB PHE 23 5.385 -6.837 5.243 175 HB3 PHE 23 1HB PHE 23 4.747 -7.802 6.568 176 HD1 PHE 23 2HD PHE 23 6.374 -9.443 7.678 177 HD2 PHE 23 1HD PHE 23 7.605 -6.176 5.251 178 HE1 PHE 23 2HE PHE 23 8.588 -9.534 8.700 179 HE2 PHE 23 1HE PHE 23 9.836 -6.257 6.271 180 HZ PHE 23 HZ PHE 23 10.338 -7.935 8.003 181 H ASN 24 H ASN 24 4.287 -8.971 2.436 182 HA ASN 24 HA ASN 24 2.274 -9.071 1.372 183 HB2 ASN 24 2HB ASN 24 1.774 -10.922 3.128 184 HB3 ASN 24 1HB ASN 24 0.912 -9.689 4.032 185 HD21 ASN 24 1HD2 ASN 24 -1.039 -8.903 3.168 186 HD22 ASN 24 2HD2 ASN 24 -1.923 -9.758 1.944 187 H LYS 25 H LYS 25 3.377 -6.835 2.986 188 HA LYS 25 HA LYS 25 1.075 -5.113 3.275 189 HB2 LYS 25 2HB LYS 25 3.987 -4.730 3.853 190 HB3 LYS 25 1HB LYS 25 2.784 -3.459 4.013 191 HG2 LYS 25 2HG LYS 25 1.643 -4.767 5.727 192 HG3 LYS 25 1HG LYS 25 2.856 -6.047 5.551 193 HD2 LYS 25 2HD LYS 25 4.589 -4.473 6.087 194 HD3 LYS 25 1HD LYS 25 3.385 -3.200 6.290 195 HE2 LYS 25 2HE LYS 25 3.511 -5.730 7.949 196 HE3 LYS 25 1HE LYS 25 4.147 -4.168 8.459 197 HZ1 LYS 25 3HZ LYS 25 1.949 -4.568 9.374 198 HZ2 LYS 25 1HZ LYS 25 1.294 -4.755 7.846 199 HZ3 LYS 25 2HZ LYS 25 1.899 -3.260 8.352 200 H CYS 26 H CYS 26 1.148 -3.107 2.176 201 HA CYS 26 HA CYS 26 1.785 -3.389 -0.582 202 HB2 CYS 26 2HB CYS 26 0.888 -0.959 0.950 203 HB3 CYS 26 1HB CYS 26 0.834 -1.178 -0.797 204 H VAL 27 H VAL 27 3.282 -2.264 -1.757 205 HA VAL 27 HA VAL 27 4.945 -0.371 -0.339 206 HB VAL 27 HB VAL 27 6.899 -1.042 -1.919 207 HG11 VAL 27 1HG1 VAL 27 7.695 -2.756 -0.344 208 HG12 VAL 27 2HG1 VAL 27 6.063 -2.848 0.340 209 HG13 VAL 27 3HG1 VAL 27 6.994 -1.359 0.472 210 HG21 VAL 27 3HG2 VAL 27 5.663 -2.550 -3.360 211 HG22 VAL 27 1HG2 VAL 27 5.287 -3.590 -1.984 212 HG23 VAL 27 2HG2 VAL 27 6.955 -3.416 -2.526 213 H LEU 28 H LEU 28 4.788 1.495 -1.094 214 HA LEU 28 HA LEU 28 3.623 1.905 -3.704 215 HB2 LEU 28 2HB LEU 28 2.883 3.027 -1.560 216 HB3 LEU 28 1HB LEU 28 4.413 3.866 -1.552 217 HG LEU 28 HG LEU 28 3.765 4.947 -3.706 218 HD11 LEU 28 1HD1 LEU 28 1.078 3.699 -3.109 219 HD12 LEU 28 2HD1 LEU 28 2.129 3.246 -4.446 220 HD13 LEU 28 3HD1 LEU 28 1.425 4.862 -4.388 221 HD21 LEU 28 3HD2 LEU 28 3.485 6.025 -1.539 222 HD22 LEU 28 1HD2 LEU 28 1.880 5.313 -1.396 223 HD23 LEU 28 2HD2 LEU 28 2.216 6.489 -2.670 224 HA PRO 29 HA PRO 29 7.579 2.667 -5.718 225 HB2 PRO 29 2HB PRO 29 6.104 4.998 -6.867 226 HB3 PRO 29 1HB PRO 29 7.101 3.795 -7.689 227 HG2 PRO 29 2HG PRO 29 4.481 3.632 -7.828 228 HG3 PRO 29 1HG PRO 29 5.453 2.168 -7.588 229 HD2 PRO 29 2HD PRO 29 3.798 3.679 -5.621 230 HD3 PRO 29 1HD PRO 29 4.098 1.929 -5.772 231 H GLU 30 H GLU 30 9.307 4.110 -5.666 232 HA GLU 30 HA GLU 30 9.197 5.999 -3.493 233 HB2 GLU 30 2HB GLU 30 11.142 4.432 -3.913 234 HB3 GLU 30 1HB GLU 30 11.519 5.404 -5.327 235 HG2 GLU 30 2HG GLU 30 11.854 7.353 -3.903 236 HG3 GLU 30 1HG GLU 30 11.466 6.384 -2.484 237 H THR 31 H THR 31 9.061 5.911 -6.908 238 HA THR 31 HA THR 31 9.423 8.708 -7.299 239 HB THR 31 HB THR 31 8.379 8.127 -9.568 240 HG1 THR 31 1HG THR 31 7.285 6.314 -8.803 241 HG21 THR 31 3HG2 THR 31 10.822 8.224 -9.238 242 HG22 THR 31 1HG2 THR 31 10.391 6.923 -10.347 243 HG23 THR 31 2HG2 THR 31 10.814 6.554 -8.675 244 H GLY 32 H GLY 32 8.047 9.650 -5.863 245 HA2 GLY 32 2HA GLY 32 5.862 10.770 -5.998 246 HA3 GLY 32 1HA GLY 32 5.168 9.160 -6.189 247 H GLY 33 H GLY 33 4.918 7.860 -4.420 248 HA2 GLY 33 2HA GLY 33 5.277 7.138 -2.236 249 HA3 GLY 33 1HA GLY 33 6.183 8.607 -1.918 250 H GLY 34 H GLY 34 3.650 9.914 -3.260 251 HA2 GLY 34 2HA GLY 34 2.380 10.349 -0.666 252 HA3 GLY 34 1HA GLY 34 2.284 11.403 -2.073 Start of MODEL 10 1 H1 CYS 1 H CYS 1 -1.519 7.065 -2.133 2 HA CYS 1 HA CYS 1 -2.983 4.694 -2.985 3 HB2 CYS 1 2HB CYS 1 -0.355 4.913 -1.546 4 HB3 CYS 1 1HB CYS 1 -1.001 3.515 -2.391 5 H ARG 2 H ARG 2 -3.172 2.943 -1.404 6 HA ARG 2 HA ARG 2 -4.077 3.709 1.168 7 HB2 ARG 2 2HB ARG 2 -4.705 1.629 -0.100 8 HB3 ARG 2 1HB ARG 2 -3.091 1.016 0.203 9 HG2 ARG 2 2HG ARG 2 -4.752 0.054 1.715 10 HG3 ARG 2 1HG ARG 2 -3.515 0.976 2.578 11 HD2 ARG 2 2HD ARG 2 -5.861 1.342 3.391 12 HD3 ARG 2 1HD ARG 2 -5.014 2.811 2.916 13 HE ARG 2 HE ARG 2 -6.415 1.951 0.681 14 HH11 ARG 2 1HH1 ARG 2 -7.328 2.961 3.963 15 HH12 ARG 2 2HH1 ARG 2 -8.781 3.694 3.422 16 HH21 ARG 2 1HH2 ARG 2 -8.309 2.886 0.041 17 HH22 ARG 2 2HH2 ARG 2 -9.371 3.668 1.152 18 H ILE 3 H ILE 3 -2.846 3.876 3.078 19 HA ILE 3 HA ILE 3 -0.171 4.433 2.795 20 HB ILE 3 HB ILE 3 0.049 4.456 5.273 21 HG12 ILE 3 2HG1 ILE 3 -2.844 3.535 5.239 22 HG13 ILE 3 1HG1 ILE 3 -1.450 2.636 5.833 23 HG21 ILE 3 1HG2 ILE 3 -0.649 6.423 4.105 24 HG22 ILE 3 2HG2 ILE 3 -1.507 6.304 5.642 25 HG23 ILE 3 3HG2 ILE 3 -2.327 5.883 4.139 26 HD11 ILE 3 3HD1 ILE 3 -2.460 5.212 7.005 27 HD12 ILE 3 1HD1 ILE 3 -1.119 4.239 7.610 28 HD13 ILE 3 2HD1 ILE 3 -2.764 3.601 7.655 29 HA HYP 4 HA HYP 4 2.253 1.032 2.173 30 HB2 HYP 4 2HB HYP 4 4.438 1.634 3.797 31 HB3 HYP 4 1HB HYP 4 4.170 2.205 2.151 32 HG HYP 4 HG HYP 4 3.678 3.598 4.730 33 HD22 HYP 4 2HD1 HYP 4 1.678 4.598 3.957 34 HD23 HYP 4 1HD1 HYP 4 2.099 4.295 2.259 35 HD1 HYP 4 2HD HYP 4 3.806 5.300 3.037 36 H ASN 5 H ASN 5 1.675 1.570 5.615 37 HA ASN 5 HA ASN 5 2.815 -1.045 6.133 38 HB2 ASN 5 2HB ASN 5 1.853 1.088 8.028 39 HB3 ASN 5 1HB ASN 5 2.313 -0.520 8.579 40 HD21 ASN 5 1HD2 ASN 5 3.458 2.463 7.221 41 HD22 ASN 5 2HD2 ASN 5 5.140 2.181 7.437 42 H GLN 6 H GLN 6 0.029 -0.347 4.909 43 HA GLN 6 HA GLN 6 -1.679 -1.975 6.590 44 HB2 GLN 6 2HB GLN 6 -2.138 -0.806 3.840 45 HB3 GLN 6 1HB GLN 6 -3.329 -1.718 4.753 46 HG2 GLN 6 2HG GLN 6 -2.081 0.845 5.643 47 HG3 GLN 6 1HG GLN 6 -3.652 0.726 4.847 48 HE21 GLN 6 1HE2 GLN 6 -3.001 1.777 7.462 49 HE22 GLN 6 2HE2 GLN 6 -3.929 0.846 8.581 50 H LYS 7 H LYS 7 -2.568 -3.961 5.965 51 HA LYS 7 HA LYS 7 -0.797 -5.701 4.498 52 HB2 LYS 7 2HB LYS 7 -3.448 -6.205 5.842 53 HB3 LYS 7 1HB LYS 7 -2.465 -7.451 5.107 54 HG2 LYS 7 2HG LYS 7 -1.539 -5.706 7.384 55 HG3 LYS 7 1HG LYS 7 -2.300 -7.281 7.596 56 HD2 LYS 7 2HD LYS 7 0.271 -6.776 6.079 57 HD3 LYS 7 1HD LYS 7 0.170 -7.361 7.738 58 HE2 LYS 7 2HE LYS 7 -1.194 -9.295 6.857 59 HE3 LYS 7 1HE LYS 7 -0.784 -8.745 5.237 60 HZ1 LYS 7 3HZ LYS 7 1.584 -9.067 5.778 61 HZ2 LYS 7 1HZ LYS 7 0.695 -10.487 6.010 62 HZ3 LYS 7 2HZ LYS 7 1.141 -9.574 7.324 63 H CYS 8 H CYS 8 -0.955 -6.053 2.421 64 HA CYS 8 HA CYS 8 -3.589 -5.952 1.142 65 HB2 CYS 8 2HB CYS 8 -2.485 -5.039 -0.883 66 HB3 CYS 8 1HB CYS 8 -2.378 -3.946 0.495 67 H PHE 9 H PHE 9 -3.682 -7.363 -0.772 68 HA PHE 9 HA PHE 9 -1.744 -9.513 -0.507 69 HB2 PHE 9 2HB PHE 9 -4.748 -9.713 -0.666 70 HB3 PHE 9 1HB PHE 9 -3.684 -11.084 -0.957 71 HD1 PHE 9 2HD PHE 9 -2.364 -12.042 0.846 72 HD2 PHE 9 1HD PHE 9 -5.049 -8.817 1.588 73 HE1 PHE 9 2HE PHE 9 -2.203 -12.462 3.264 74 HE2 PHE 9 1HE PHE 9 -4.886 -9.234 3.997 75 HZ PHE 9 HZ PHE 9 -3.467 -11.057 4.844 76 H GLN 10 H GLN 10 -2.500 -11.155 -2.511 77 HA GLN 10 HA GLN 10 -1.358 -9.733 -4.659 78 HB2 GLN 10 2HB GLN 10 -2.319 -12.567 -4.431 79 HB3 GLN 10 1HB GLN 10 -1.769 -11.913 -5.963 80 HG2 GLN 10 2HG GLN 10 0.022 -13.130 -4.919 81 HG3 GLN 10 1HG GLN 10 0.429 -11.424 -4.942 82 HE21 GLN 10 1HE2 GLN 10 -0.324 -14.161 -2.992 83 HE22 GLN 10 2HE2 GLN 10 0.091 -13.451 -1.479 84 H HIS 11 H HIS 11 -4.647 -10.851 -4.091 85 HA HIS 11 HA HIS 11 -5.327 -9.590 -6.649 86 HB2 HIS 11 2HB HIS 11 -6.993 -11.489 -4.988 87 HB3 HIS 11 1HB HIS 11 -7.451 -10.821 -6.549 88 HD1 HIS 11 1HD HIS 11 -5.961 -13.787 -5.118 89 HD2 HIS 11 2HD HIS 11 -5.498 -11.645 -8.651 90 HE1 HIS 11 1HE HIS 11 -4.797 -15.327 -6.719 91 H LEU 12 H LEU 12 -5.633 -9.206 -3.270 92 HA LEU 12 HA LEU 12 -7.618 -7.083 -3.675 93 HB2 LEU 12 2HB LEU 12 -7.071 -8.687 -1.167 94 HB3 LEU 12 1HB LEU 12 -8.083 -7.269 -1.212 95 HG LEU 12 HG LEU 12 -9.590 -8.555 -2.813 96 HD11 LEU 12 1HD1 LEU 12 -8.026 -10.279 -3.491 97 HD12 LEU 12 2HD1 LEU 12 -9.468 -10.982 -2.754 98 HD13 LEU 12 3HD1 LEU 12 -7.963 -10.884 -1.836 99 HD21 LEU 12 3HD2 LEU 12 -10.674 -9.783 -0.999 100 HD22 LEU 12 1HD2 LEU 12 -10.163 -8.175 -0.489 101 HD23 LEU 12 2HD2 LEU 12 -9.225 -9.590 -0.011 102 H ASP 13 H ASP 13 -6.440 -5.268 -3.916 103 HA ASP 13 HA ASP 13 -4.880 -4.427 -1.654 104 HB2 ASP 13 2HB ASP 13 -2.906 -3.860 -2.827 105 HB3 ASP 13 1HB ASP 13 -3.256 -5.501 -3.355 106 H ASP 14 H ASP 14 -4.408 -2.120 -1.848 107 HA ASP 14 HA ASP 14 -6.202 -0.641 -3.644 108 HB2 ASP 14 2HB ASP 14 -7.176 -0.947 -1.330 109 HB3 ASP 14 1HB ASP 14 -5.790 -0.088 -0.682 110 H CYS 15 H CYS 15 -3.456 -1.331 -3.801 111 HA CYS 15 HA CYS 15 -1.973 1.043 -2.979 112 HB2 CYS 15 2HB CYS 15 -1.028 -1.568 -4.180 113 HB3 CYS 15 1HB CYS 15 -0.007 -0.293 -3.525 114 H CYS 16 H CYS 16 -1.145 2.459 -4.517 115 HA CYS 16 HA CYS 16 -2.395 2.651 -6.941 116 HB2 CYS 16 2HB CYS 16 0.321 3.788 -6.281 117 HB3 CYS 16 1HB CYS 16 -0.775 4.379 -7.522 118 H SER 17 H SER 17 0.699 1.188 -6.054 119 HA SER 17 HA SER 17 1.549 0.629 -8.718 120 HB2 SER 17 2HB SER 17 3.322 -0.531 -7.257 121 HB3 SER 17 1HB SER 17 3.217 1.235 -7.212 122 HG SER 17 HG SER 17 3.229 -0.006 -5.080 123 H ARG 18 H ARG 18 -0.615 -0.793 -6.538 124 HA ARG 18 HA ARG 18 -1.522 -2.801 -6.123 125 HB2 ARG 18 2HB ARG 18 -0.469 -3.497 -8.887 126 HB3 ARG 18 1HB ARG 18 -1.538 -4.531 -7.967 127 HG2 ARG 18 2HG ARG 18 -2.939 -3.455 -9.495 128 HG3 ARG 18 1HG ARG 18 -3.173 -2.553 -8.001 129 HD2 ARG 18 2HD ARG 18 -2.975 -1.024 -9.864 130 HD3 ARG 18 1HD ARG 18 -1.564 -0.862 -8.818 131 HE ARG 18 HE ARG 18 -1.003 -2.740 -10.816 132 HH11 ARG 18 1HH1 ARG 18 -1.340 0.764 -10.449 133 HH12 ARG 18 2HH1 ARG 18 -0.512 1.131 -11.885 134 HH21 ARG 18 1HH2 ARG 18 0.177 -2.236 -12.722 135 HH22 ARG 18 2HH2 ARG 18 0.401 -0.624 -13.212 136 H LYS 19 H LYS 19 1.331 -2.292 -5.488 137 HA LYS 19 HA LYS 19 2.394 -5.010 -5.560 138 HB2 LYS 19 2HB LYS 19 3.800 -2.386 -5.212 139 HB3 LYS 19 1HB LYS 19 4.576 -3.957 -5.082 140 HG2 LYS 19 2HG LYS 19 4.175 -4.433 -7.355 141 HG3 LYS 19 1HG LYS 19 3.108 -3.032 -7.505 142 HD2 LYS 19 2HD LYS 19 5.065 -1.573 -6.970 143 HD3 LYS 19 1HD LYS 19 6.075 -3.015 -6.970 144 HE2 LYS 19 2HE LYS 19 5.643 -3.405 -9.285 145 HE3 LYS 19 1HE LYS 19 4.436 -2.117 -9.322 146 HZ1 LYS 19 3HZ LYS 19 7.332 -1.723 -8.806 147 HZ2 LYS 19 1HZ LYS 19 6.153 -0.516 -8.900 148 HZ3 LYS 19 2HZ LYS 19 6.549 -1.413 -10.266 149 H CYS 20 H CYS 20 2.996 -5.989 -3.869 150 HA CYS 20 HA CYS 20 2.863 -4.722 -1.229 151 HB2 CYS 20 2HB CYS 20 1.908 -7.517 -1.927 152 HB3 CYS 20 1HB CYS 20 1.871 -6.768 -0.340 153 H ASN 21 H ASN 21 4.494 -5.554 0.161 154 HA ASN 21 HA ASN 21 6.633 -6.902 -1.280 155 HB2 ASN 21 2HB ASN 21 8.046 -6.544 0.728 156 HB3 ASN 21 1HB ASN 21 7.328 -5.058 0.157 157 HD21 ASN 21 1HD2 ASN 21 7.629 -4.077 2.104 158 HD22 ASN 21 2HD2 ASN 21 6.694 -4.415 3.503 159 H ARG 22 H ARG 22 7.901 -8.553 0.500 160 HA ARG 22 HA ARG 22 6.254 -10.839 0.250 161 HB2 ARG 22 2HB ARG 22 8.077 -12.105 1.155 162 HB3 ARG 22 1HB ARG 22 8.725 -10.894 0.066 163 HG2 ARG 22 2HG ARG 22 9.309 -9.502 2.037 164 HG3 ARG 22 1HG ARG 22 8.748 -10.811 3.076 165 HD2 ARG 22 2HD ARG 22 10.377 -12.320 1.989 166 HD3 ARG 22 1HD ARG 22 10.980 -10.945 1.067 167 HE ARG 22 HE ARG 22 11.019 -10.909 3.997 168 HH11 ARG 22 1HH1 ARG 22 12.782 -10.791 0.917 169 HH12 ARG 22 2HH1 ARG 22 14.280 -10.449 1.617 170 HH21 ARG 22 1HH2 ARG 22 13.124 -10.455 4.979 171 HH22 ARG 22 2HH2 ARG 22 14.481 -10.269 3.971 172 H PHE 23 H PHE 23 6.239 -8.504 2.635 173 HA PHE 23 HA PHE 23 5.225 -10.366 4.647 174 HB2 PHE 23 2HB PHE 23 6.018 -7.454 4.890 175 HB3 PHE 23 1HB PHE 23 5.394 -8.440 6.209 176 HD1 PHE 23 1HD PHE 23 6.701 -10.636 6.672 177 HD2 PHE 23 2HD PHE 23 8.301 -7.292 4.586 178 HE1 PHE 23 1HE PHE 23 8.949 -11.410 7.183 179 HE2 PHE 23 2HE PHE 23 10.572 -8.061 5.094 180 HZ PHE 23 HZ PHE 23 10.906 -10.131 6.401 181 H ASN 24 H ASN 24 4.102 -8.912 2.082 182 HA ASN 24 HA ASN 24 2.176 -8.199 1.286 183 HB2 ASN 24 2HB ASN 24 1.149 -9.536 3.774 184 HB3 ASN 24 1HB ASN 24 0.052 -8.712 2.667 185 HD21 ASN 24 1HD2 ASN 24 -0.214 -9.509 0.625 186 HD22 ASN 24 2HD2 ASN 24 0.246 -11.105 0.138 187 H LYS 25 H LYS 25 3.775 -6.404 2.749 188 HA LYS 25 HA LYS 25 1.832 -4.506 3.816 189 HB2 LYS 25 2HB LYS 25 4.801 -4.158 3.340 190 HB3 LYS 25 1HB LYS 25 3.760 -3.099 4.273 191 HG2 LYS 25 2HG LYS 25 4.463 -5.932 4.992 192 HG3 LYS 25 1HG LYS 25 5.214 -4.492 5.672 193 HD2 LYS 25 2HD LYS 25 2.994 -3.807 6.531 194 HD3 LYS 25 1HD LYS 25 2.325 -5.320 5.913 195 HE2 LYS 25 2HE LYS 25 2.826 -5.536 8.278 196 HE3 LYS 25 1HE LYS 25 3.884 -6.575 7.329 197 HZ1 LYS 25 3HZ LYS 25 4.628 -3.909 8.395 198 HZ2 LYS 25 1HZ LYS 25 5.662 -4.953 7.579 199 HZ3 LYS 25 2HZ LYS 25 5.054 -5.361 9.101 200 H CYS 26 H CYS 26 1.204 -2.772 2.661 201 HA CYS 26 HA CYS 26 1.274 -2.844 -0.143 202 HB2 CYS 26 2HB CYS 26 -0.523 -1.797 1.193 203 HB3 CYS 26 1HB CYS 26 0.590 -0.530 1.683 204 H VAL 27 H VAL 27 2.988 -2.403 -1.413 205 HA VAL 27 HA VAL 27 4.757 -0.367 -0.376 206 HB VAL 27 HB VAL 27 6.608 -1.238 -1.836 207 HG11 VAL 27 1HG1 VAL 27 6.483 -1.723 0.539 208 HG12 VAL 27 2HG1 VAL 27 7.187 -3.061 -0.359 209 HG13 VAL 27 3HG1 VAL 27 5.515 -3.161 0.204 210 HG21 VAL 27 3HG2 VAL 27 6.469 -3.574 -2.594 211 HG22 VAL 27 1HG2 VAL 27 5.322 -2.534 -3.448 212 HG23 VAL 27 2HG2 VAL 27 4.765 -3.601 -2.155 213 H LEU 28 H LEU 28 4.313 1.378 -1.004 214 HA LEU 28 HA LEU 28 3.111 2.136 -3.444 215 HB2 LEU 28 2HB LEU 28 4.495 3.678 -1.252 216 HB3 LEU 28 1HB LEU 28 3.861 4.468 -2.670 217 HG LEU 28 HG LEU 28 1.581 3.742 -2.030 218 HD11 LEU 28 1HD1 LEU 28 2.124 1.728 -0.776 219 HD12 LEU 28 2HD1 LEU 28 1.153 2.843 0.185 220 HD13 LEU 28 3HD1 LEU 28 2.889 2.710 0.473 221 HD21 LEU 28 3HD2 LEU 28 2.382 5.920 -1.369 222 HD22 LEU 28 1HD2 LEU 28 3.105 5.238 0.088 223 HD23 LEU 28 2HD2 LEU 28 1.355 5.238 -0.105 224 HA PRO 29 HA PRO 29 6.833 2.662 -5.810 225 HB2 PRO 29 2HB PRO 29 6.111 4.631 -7.529 226 HB3 PRO 29 1HB PRO 29 5.491 2.986 -7.690 227 HG2 PRO 29 2HG PRO 29 4.179 5.402 -6.530 228 HG3 PRO 29 1HG PRO 29 3.477 4.118 -7.529 229 HD2 PRO 29 2HD PRO 29 3.211 4.262 -4.805 230 HD3 PRO 29 1HD PRO 29 3.126 2.749 -5.722 231 H GLU 30 H GLU 30 8.345 4.479 -6.437 232 HA GLU 30 HA GLU 30 8.893 6.176 -4.214 233 HB2 GLU 30 2HB GLU 30 10.726 7.108 -5.561 234 HB3 GLU 30 1HB GLU 30 10.714 5.365 -5.710 235 HG2 GLU 30 2HG GLU 30 9.713 7.343 -7.772 236 HG3 GLU 30 1HG GLU 30 11.219 6.435 -7.848 237 H THR 31 H THR 31 7.255 6.473 -7.191 238 HA THR 31 HA THR 31 6.800 9.218 -7.388 239 HB THR 31 HB THR 31 4.976 6.955 -8.255 240 HG1 THR 31 1HG THR 31 7.110 6.591 -9.080 241 HG21 THR 31 3HG2 THR 31 5.404 9.733 -9.392 242 HG22 THR 31 1HG2 THR 31 3.987 9.208 -8.483 243 HG23 THR 31 2HG2 THR 31 4.333 8.504 -10.063 244 H GLY 32 H GLY 32 5.406 6.822 -5.262 245 HA2 GLY 32 2HA GLY 32 3.867 6.949 -3.583 246 HA3 GLY 32 1HA GLY 32 4.012 8.700 -3.690 247 H GLY 33 H GLY 33 1.929 9.321 -3.647 248 HA2 GLY 33 2HA GLY 33 0.299 9.893 -5.473 249 HA3 GLY 33 1HA GLY 33 0.136 8.148 -5.655 250 H GLY 34 H GLY 34 -2.169 8.695 -5.191 251 HA2 GLY 34 2HA GLY 34 -2.685 9.178 -2.354 252 HA3 GLY 34 1HA GLY 34 -3.886 9.156 -3.650 Start of MODEL 11 1 H1 CYS 1 H CYS 1 -0.829 8.029 -2.721 2 HA CYS 1 HA CYS 1 -3.670 8.260 -2.961 3 HB2 CYS 1 2HB CYS 1 -2.753 7.304 -5.169 4 HB3 CYS 1 1HB CYS 1 -2.249 5.903 -4.232 5 H ARG 2 H ARG 2 -3.820 5.216 -2.413 6 HA ARG 2 HA ARG 2 -3.644 5.268 0.320 7 HB2 ARG 2 2HB ARG 2 -4.882 3.468 -0.806 8 HB3 ARG 2 1HB ARG 2 -3.373 2.788 -1.408 9 HG2 ARG 2 2HG ARG 2 -2.642 2.304 0.843 10 HG3 ARG 2 1HG ARG 2 -4.069 3.097 1.494 11 HD2 ARG 2 2HD ARG 2 -4.075 0.581 -0.184 12 HD3 ARG 2 1HD ARG 2 -4.226 0.641 1.565 13 HE ARG 2 HE ARG 2 -6.239 1.342 -0.408 14 HH11 ARG 2 1HH1 ARG 2 -5.358 1.485 3.034 15 HH12 ARG 2 2HH1 ARG 2 -6.954 1.512 3.588 16 HH21 ARG 2 1HH2 ARG 2 -8.354 1.413 0.317 17 HH22 ARG 2 2HH2 ARG 2 -8.757 1.521 1.988 18 H ILE 3 H ILE 3 -2.187 5.231 1.750 19 HA ILE 3 HA ILE 3 0.552 5.393 1.195 20 HB ILE 3 HB ILE 3 0.843 5.393 3.658 21 HG12 ILE 3 2HG1 ILE 3 -2.151 4.879 3.710 22 HG13 ILE 3 1HG1 ILE 3 -0.906 3.759 4.225 23 HG21 ILE 3 1HG2 ILE 3 -0.429 7.440 4.092 24 HG22 ILE 3 2HG2 ILE 3 -1.379 7.148 2.633 25 HG23 ILE 3 3HG2 ILE 3 0.352 7.462 2.511 26 HD11 ILE 3 3HD1 ILE 3 -1.530 6.408 5.508 27 HD12 ILE 3 1HD1 ILE 3 -0.284 5.271 6.026 28 HD13 ILE 3 2HD1 ILE 3 -1.984 4.812 6.114 29 HA HYP 4 HA HYP 4 1.954 1.185 1.519 30 HB2 HYP 4 2HB HYP 4 4.396 1.564 2.647 31 HB3 HYP 4 1HB HYP 4 4.054 1.985 0.962 32 HG HYP 4 HG HYP 4 4.172 3.760 3.363 33 HD22 HYP 4 2HD1 HYP 4 2.483 5.136 2.487 34 HD23 HYP 4 1HD1 HYP 4 2.788 4.586 0.827 35 HD1 HYP 4 2HD HYP 4 4.848 5.146 1.645 36 H ASN 5 H ASN 5 2.891 -0.326 3.129 37 HA ASN 5 HA ASN 5 3.107 -1.395 5.064 38 HB2 ASN 5 2HB ASN 5 3.846 0.668 6.208 39 HB3 ASN 5 1HB ASN 5 2.178 1.117 6.504 40 HD21 ASN 5 1HD2 ASN 5 1.039 0.069 8.169 41 HD22 ASN 5 2HD2 ASN 5 1.842 -0.938 9.309 42 H GLN 6 H GLN 6 0.268 -0.059 3.965 43 HA GLN 6 HA GLN 6 -1.592 -1.472 5.598 44 HB2 GLN 6 2HB GLN 6 -1.828 -0.439 2.759 45 HB3 GLN 6 1HB GLN 6 -3.173 -1.050 3.710 46 HG2 GLN 6 2HG GLN 6 -1.477 1.310 4.496 47 HG3 GLN 6 1HG GLN 6 -3.007 1.429 3.633 48 HE21 GLN 6 1HE2 GLN 6 -3.907 2.624 5.307 49 HE22 GLN 6 2HE2 GLN 6 -4.358 1.899 6.811 50 H LYS 7 H LYS 7 -2.766 -3.443 4.953 51 HA LYS 7 HA LYS 7 -0.897 -5.307 3.857 52 HB2 LYS 7 2HB LYS 7 -3.551 -5.615 5.096 53 HB3 LYS 7 1HB LYS 7 -2.925 -6.883 4.060 54 HG2 LYS 7 2HG LYS 7 -0.913 -6.977 5.480 55 HG3 LYS 7 1HG LYS 7 -1.670 -5.805 6.568 56 HD2 LYS 7 2HD LYS 7 -2.084 -8.011 7.420 57 HD3 LYS 7 1HD LYS 7 -3.585 -7.311 6.770 58 HE2 LYS 7 2HE LYS 7 -3.487 -9.619 6.130 59 HE3 LYS 7 1HE LYS 7 -3.249 -8.658 4.690 60 HZ1 LYS 7 3HZ LYS 7 -0.775 -9.070 5.042 61 HZ2 LYS 7 1HZ LYS 7 -1.715 -10.437 4.674 62 HZ3 LYS 7 2HZ LYS 7 -1.243 -10.164 6.243 63 H CYS 8 H CYS 8 -1.339 -6.840 2.410 64 HA CYS 8 HA CYS 8 -3.159 -6.062 0.246 65 HB2 CYS 8 2HB CYS 8 -1.587 -6.836 -1.402 66 HB3 CYS 8 1HB CYS 8 -0.683 -5.765 -0.342 67 H PHE 9 H PHE 9 -4.153 -7.867 -0.751 68 HA PHE 9 HA PHE 9 -3.768 -10.390 0.650 69 HB2 PHE 9 2HB PHE 9 -6.372 -9.206 -0.327 70 HB3 PHE 9 1HB PHE 9 -6.195 -10.791 0.410 71 HD1 PHE 9 2HD PHE 9 -5.632 -10.966 2.820 72 HD2 PHE 9 1HD PHE 9 -6.512 -7.227 1.007 73 HE1 PHE 9 2HE PHE 9 -5.999 -9.982 5.039 74 HE2 PHE 9 1HE PHE 9 -6.878 -6.229 3.221 75 HZ PHE 9 HZ PHE 9 -6.621 -7.609 5.244 76 H GLN 10 H GLN 10 -4.878 -12.111 -0.788 77 HA GLN 10 HA GLN 10 -3.379 -12.293 -3.134 78 HB2 GLN 10 2HB GLN 10 -5.854 -13.849 -2.378 79 HB3 GLN 10 1HB GLN 10 -4.686 -14.318 -3.608 80 HG2 GLN 10 2HG GLN 10 -2.942 -14.472 -1.920 81 HG3 GLN 10 1HG GLN 10 -4.089 -13.992 -0.680 82 HE21 GLN 10 1HE2 GLN 10 -6.240 -15.645 -1.898 83 HE22 GLN 10 2HE2 GLN 10 -5.828 -17.265 -1.515 84 H HIS 11 H HIS 11 -6.806 -11.543 -2.738 85 HA HIS 11 HA HIS 11 -6.715 -10.414 -5.434 86 HB2 HIS 11 2HB HIS 11 -8.985 -11.805 -4.052 87 HB3 HIS 11 1HB HIS 11 -9.271 -10.683 -5.373 88 HD1 HIS 11 1HD HIS 11 -8.689 -14.206 -4.774 89 HD2 HIS 11 2HD HIS 11 -7.779 -11.485 -7.779 90 HE1 HIS 11 1HE HIS 11 -8.195 -15.578 -6.828 91 H LEU 12 H LEU 12 -7.638 -9.873 -2.110 92 HA LEU 12 HA LEU 12 -8.882 -7.383 -2.761 93 HB2 LEU 12 2HB LEU 12 -8.197 -8.554 -0.056 94 HB3 LEU 12 1HB LEU 12 -8.871 -6.960 -0.255 95 HG LEU 12 HG LEU 12 -10.881 -8.041 -1.317 96 HD11 LEU 12 1HD1 LEU 12 -9.897 -10.164 -1.964 97 HD12 LEU 12 2HD1 LEU 12 -11.288 -10.395 -0.904 98 HD13 LEU 12 3HD1 LEU 12 -9.655 -10.576 -0.265 99 HD21 LEU 12 3HD2 LEU 12 -10.195 -8.778 1.515 100 HD22 LEU 12 1HD2 LEU 12 -11.820 -8.776 0.829 101 HD23 LEU 12 2HD2 LEU 12 -10.918 -7.267 0.965 102 H ASP 13 H ASP 13 -7.576 -6.152 -3.779 103 HA ASP 13 HA ASP 13 -5.342 -5.034 -2.265 104 HB2 ASP 13 2HB ASP 13 -4.263 -6.275 -3.972 105 HB3 ASP 13 1HB ASP 13 -5.425 -5.751 -5.187 106 H ASP 14 H ASP 14 -5.762 -3.062 -1.786 107 HA ASP 14 HA ASP 14 -7.163 -1.382 -3.764 108 HB2 ASP 14 2HB ASP 14 -8.541 -1.907 -1.692 109 HB3 ASP 14 1HB ASP 14 -7.313 -1.077 -0.746 110 H CYS 15 H CYS 15 -4.308 -2.091 -2.878 111 HA CYS 15 HA CYS 15 -3.294 0.468 -2.006 112 HB2 CYS 15 2HB CYS 15 -1.833 -2.031 -2.865 113 HB3 CYS 15 1HB CYS 15 -1.140 -0.653 -2.014 114 H CYS 16 H CYS 16 -3.211 1.998 -3.458 115 HA CYS 16 HA CYS 16 -3.480 1.762 -6.199 116 HB2 CYS 16 2HB CYS 16 -2.007 3.973 -4.818 117 HB3 CYS 16 1HB CYS 16 -3.028 4.078 -6.256 118 H SER 17 H SER 17 -0.602 1.498 -4.225 119 HA SER 17 HA SER 17 1.312 1.968 -6.216 120 HB2 SER 17 2HB SER 17 2.757 0.865 -4.470 121 HB3 SER 17 1HB SER 17 1.846 2.286 -3.935 122 HG SER 17 HG SER 17 1.907 0.182 -2.698 123 H ARG 18 H ARG 18 -0.621 -0.775 -5.277 124 HA ARG 18 HA ARG 18 -0.734 -2.920 -5.787 125 HB2 ARG 18 2HB ARG 18 0.293 -1.855 -8.399 126 HB3 ARG 18 1HB ARG 18 -0.437 -3.446 -8.183 127 HG2 ARG 18 2HG ARG 18 -2.469 -2.395 -7.352 128 HG3 ARG 18 1HG ARG 18 -1.746 -0.808 -7.615 129 HD2 ARG 18 2HD ARG 18 -2.263 -2.884 -9.700 130 HD3 ARG 18 1HD ARG 18 -3.254 -1.454 -9.353 131 HE ARG 18 HE ARG 18 -0.719 -0.534 -9.831 132 HH11 ARG 18 1HH1 ARG 18 -3.126 -2.330 -11.652 133 HH12 ARG 18 2HH1 ARG 18 -2.667 -1.709 -13.174 134 HH21 ARG 18 1HH2 ARG 18 -0.095 0.366 -11.867 135 HH22 ARG 18 2HH2 ARG 18 -0.866 -0.118 -13.302 136 H LYS 19 H LYS 19 1.827 -2.009 -4.708 137 HA LYS 19 HA LYS 19 3.426 -4.298 -5.569 138 HB2 LYS 19 2HB LYS 19 4.403 -2.036 -6.115 139 HB3 LYS 19 1HB LYS 19 4.438 -1.703 -4.396 140 HG2 LYS 19 2HG LYS 19 5.962 -3.591 -4.046 141 HG3 LYS 19 1HG LYS 19 5.943 -3.919 -5.778 142 HD2 LYS 19 2HD LYS 19 6.893 -1.340 -4.517 143 HD3 LYS 19 1HD LYS 19 7.945 -2.650 -5.046 144 HE2 LYS 19 2HE LYS 19 6.073 -1.084 -6.832 145 HE3 LYS 19 1HE LYS 19 7.798 -0.806 -6.680 146 HZ1 LYS 19 3HZ LYS 19 8.199 -3.044 -7.529 147 HZ2 LYS 19 1HZ LYS 19 7.311 -2.118 -8.612 148 HZ3 LYS 19 2HZ LYS 19 6.540 -3.304 -7.708 149 H CYS 20 H CYS 20 3.675 -5.723 -3.983 150 HA CYS 20 HA CYS 20 3.329 -4.808 -1.243 151 HB2 CYS 20 2HB CYS 20 1.228 -5.865 -2.048 152 HB3 CYS 20 1HB CYS 20 2.138 -7.322 -2.443 153 H ASN 21 H ASN 21 4.622 -5.850 0.221 154 HA ASN 21 HA ASN 21 6.822 -7.286 -1.007 155 HB2 ASN 21 2HB ASN 21 8.045 -6.953 1.116 156 HB3 ASN 21 1HB ASN 21 7.462 -5.441 0.450 157 HD21 ASN 21 1HD2 ASN 21 7.589 -4.398 2.355 158 HD22 ASN 21 2HD2 ASN 21 6.508 -4.648 3.673 159 H ARG 22 H ARG 22 7.812 -8.939 0.633 160 HA ARG 22 HA ARG 22 6.136 -11.194 0.481 161 HB2 ARG 22 2HB ARG 22 7.919 -12.397 1.660 162 HB3 ARG 22 1HB ARG 22 8.511 -11.438 0.315 163 HG2 ARG 22 2HG ARG 22 9.224 -9.694 1.933 164 HG3 ARG 22 1HG ARG 22 8.726 -10.758 3.245 165 HD2 ARG 22 2HD ARG 22 11.118 -10.967 2.837 166 HD3 ARG 22 1HD ARG 22 10.269 -12.467 2.443 167 HE ARG 22 HE ARG 22 10.798 -10.559 0.315 168 HH11 ARG 22 1HH1 ARG 22 11.610 -13.660 1.829 169 HH12 ARG 22 2HH1 ARG 22 12.331 -14.321 0.437 170 HH21 ARG 22 1HH2 ARG 22 11.878 -11.450 -1.589 171 HH22 ARG 22 2HH2 ARG 22 12.496 -13.036 -1.537 172 H PHE 23 H PHE 23 6.354 -8.852 2.937 173 HA PHE 23 HA PHE 23 5.355 -10.630 4.991 174 HB2 PHE 23 2HB PHE 23 5.993 -7.678 5.045 175 HB3 PHE 23 1HB PHE 23 5.410 -8.596 6.430 176 HD1 PHE 23 2HD PHE 23 6.779 -10.646 7.102 177 HD2 PHE 23 1HD PHE 23 8.279 -7.524 4.643 178 HE1 PHE 23 2HE PHE 23 9.058 -11.335 7.641 179 HE2 PHE 23 1HE PHE 23 10.579 -8.218 5.180 180 HZ PHE 23 HZ PHE 23 10.965 -10.127 6.683 181 H ASN 24 H ASN 24 4.077 -9.145 2.414 182 HA ASN 24 HA ASN 24 1.997 -8.865 1.678 183 HB2 ASN 24 2HB ASN 24 1.197 -9.916 4.388 184 HB3 ASN 24 1HB ASN 24 0.004 -9.365 3.226 185 HD21 ASN 24 1HD2 ASN 24 2.932 -11.076 2.317 186 HD22 ASN 24 2HD2 ASN 24 2.134 -12.511 1.793 187 H LYS 25 H LYS 25 3.579 -6.845 2.953 188 HA LYS 25 HA LYS 25 1.471 -4.943 3.682 189 HB2 LYS 25 2HB LYS 25 4.476 -4.618 3.904 190 HB3 LYS 25 1HB LYS 25 3.260 -3.517 4.515 191 HG2 LYS 25 2HG LYS 25 3.843 -6.290 5.538 192 HG3 LYS 25 1HG LYS 25 4.287 -4.774 6.314 193 HD2 LYS 25 2HD LYS 25 1.880 -4.234 6.539 194 HD3 LYS 25 1HD LYS 25 1.489 -5.807 5.839 195 HE2 LYS 25 2HE LYS 25 2.812 -6.865 7.674 196 HE3 LYS 25 1HE LYS 25 2.974 -5.273 8.404 197 HZ1 LYS 25 3HZ LYS 25 0.546 -5.172 8.606 198 HZ2 LYS 25 1HZ LYS 25 1.173 -6.533 9.388 199 HZ3 LYS 25 2HZ LYS 25 0.438 -6.705 7.893 200 H CYS 26 H CYS 26 0.970 -3.463 2.186 201 HA CYS 26 HA CYS 26 2.122 -3.484 -0.400 202 HB2 CYS 26 2HB CYS 26 0.258 -1.505 0.908 203 HB3 CYS 26 1HB CYS 26 0.669 -1.532 -0.801 204 H VAL 27 H VAL 27 3.602 -2.179 -1.250 205 HA VAL 27 HA VAL 27 4.657 -0.094 0.459 206 HB VAL 27 HB VAL 27 6.949 -0.616 -0.531 207 HG11 VAL 27 1HG1 VAL 27 7.371 -2.460 1.047 208 HG12 VAL 27 2HG1 VAL 27 5.636 -2.739 1.171 209 HG13 VAL 27 3HG1 VAL 27 6.329 -1.228 1.757 210 HG21 VAL 27 3HG2 VAL 27 5.590 -3.217 -1.276 211 HG22 VAL 27 1HG2 VAL 27 7.317 -2.900 -1.362 212 HG23 VAL 27 2HG2 VAL 27 6.207 -2.024 -2.419 213 H LEU 28 H LEU 28 5.607 1.665 -0.663 214 HA LEU 28 HA LEU 28 4.079 2.262 -3.063 215 HB2 LEU 28 2HB LEU 28 4.251 3.725 -0.960 216 HB3 LEU 28 1HB LEU 28 5.903 4.033 -1.422 217 HG LEU 28 HG LEU 28 5.045 5.079 -3.530 218 HD11 LEU 28 1HD1 LEU 28 2.383 4.782 -2.134 219 HD12 LEU 28 2HD1 LEU 28 2.862 3.985 -3.632 220 HD13 LEU 28 3HD1 LEU 28 2.683 5.736 -3.584 221 HD21 LEU 28 3HD2 LEU 28 5.697 6.399 -1.588 222 HD22 LEU 28 1HD2 LEU 28 4.068 6.244 -0.932 223 HD23 LEU 28 2HD2 LEU 28 4.334 7.136 -2.432 224 HA PRO 29 HA PRO 29 7.738 1.439 -5.475 225 HB2 PRO 29 2HB PRO 29 7.223 2.861 -7.725 226 HB3 PRO 29 1HB PRO 29 6.387 1.353 -7.339 227 HG2 PRO 29 2HG PRO 29 5.476 4.175 -6.949 228 HG3 PRO 29 1HG PRO 29 4.567 2.783 -7.564 229 HD2 PRO 29 2HD PRO 29 4.337 3.663 -5.022 230 HD3 PRO 29 1HD PRO 29 4.169 1.951 -5.462 231 H GLU 30 H GLU 30 9.382 2.645 -6.810 232 HA GLU 30 HA GLU 30 10.691 4.542 -5.196 233 HB2 GLU 30 2HB GLU 30 12.409 4.616 -6.881 234 HB3 GLU 30 1HB GLU 30 11.856 2.963 -6.749 235 HG2 GLU 30 2HG GLU 30 11.080 4.899 -8.943 236 HG3 GLU 30 1HG GLU 30 12.291 3.632 -9.081 237 H THR 31 H THR 31 8.547 4.813 -7.857 238 HA THR 31 HA THR 31 9.049 7.539 -8.410 239 HB THR 31 HB THR 31 6.769 7.130 -9.685 240 HG1 THR 31 1HG THR 31 7.767 4.475 -9.468 241 HG21 THR 31 3HG2 THR 31 8.073 6.175 -11.553 242 HG22 THR 31 1HG2 THR 31 9.379 5.782 -10.436 243 HG23 THR 31 2HG2 THR 31 8.969 7.468 -10.754 244 H GLY 32 H GLY 32 7.512 6.137 -5.815 245 HA2 GLY 32 2HA GLY 32 6.405 7.177 -4.101 246 HA3 GLY 32 1HA GLY 32 6.346 8.646 -5.067 247 H GLY 33 H GLY 33 4.220 9.094 -4.713 248 HA2 GLY 33 2HA GLY 33 2.258 8.521 -6.327 249 HA3 GLY 33 1HA GLY 33 2.232 7.061 -5.343 250 H GLY 34 H GLY 34 0.391 9.434 -5.692 251 HA2 GLY 34 2HA GLY 34 0.180 10.181 -2.856 252 HA3 GLY 34 1HA GLY 34 -0.381 11.182 -4.197 Start of MODEL 12 1 H1 CYS 1 H CYS 1 0.240 7.291 -2.651 2 HA CYS 1 HA CYS 1 -2.525 8.231 -2.778 3 HB2 CYS 1 2HB CYS 1 -1.861 6.844 -4.819 4 HB3 CYS 1 1HB CYS 1 -1.694 5.480 -3.716 5 H ARG 2 H ARG 2 -2.975 5.161 -2.081 6 HA ARG 2 HA ARG 2 -3.178 5.485 0.678 7 HB2 ARG 2 2HB ARG 2 -4.466 3.836 -0.686 8 HB3 ARG 2 1HB ARG 2 -3.005 2.876 -0.830 9 HG2 ARG 2 2HG ARG 2 -2.958 2.482 1.550 10 HG3 ARG 2 1HG ARG 2 -4.333 3.560 1.787 11 HD2 ARG 2 2HD ARG 2 -4.344 0.954 0.259 12 HD3 ARG 2 1HD ARG 2 -5.046 1.235 1.852 13 HE ARG 2 HE ARG 2 -6.049 2.978 -0.199 14 HH11 ARG 2 1HH1 ARG 2 -6.568 -0.082 1.504 15 HH12 ARG 2 2HH1 ARG 2 -8.162 -0.272 0.974 16 HH21 ARG 2 1HH2 ARG 2 -8.236 2.712 -0.954 17 HH22 ARG 2 2HH2 ARG 2 -9.134 1.348 -0.469 18 H ILE 3 H ILE 3 -1.813 5.191 2.322 19 HA ILE 3 HA ILE 3 0.893 5.164 1.981 20 HB ILE 3 HB ILE 3 1.146 4.742 4.376 21 HG12 ILE 3 2HG1 ILE 3 -0.724 3.135 4.759 22 HG13 ILE 3 1HG1 ILE 3 -0.691 4.467 5.903 23 HG21 ILE 3 1HG2 ILE 3 0.002 6.717 5.214 24 HG22 ILE 3 2HG2 ILE 3 -0.920 6.780 3.713 25 HG23 ILE 3 3HG2 ILE 3 0.833 6.962 3.677 26 HD11 ILE 3 3HD1 ILE 3 -2.950 3.947 5.279 27 HD12 ILE 3 1HD1 ILE 3 -2.529 4.177 3.570 28 HD13 ILE 3 2HD1 ILE 3 -2.466 5.548 4.683 29 HA HYP 4 HA HYP 4 2.101 0.954 1.371 30 HB2 HYP 4 2HB HYP 4 4.724 1.225 1.823 31 HB3 HYP 4 1HB HYP 4 3.961 2.020 0.436 32 HG HYP 4 HG HYP 4 4.687 3.162 3.104 33 HD22 HYP 4 2HD1 HYP 4 2.884 4.677 2.944 34 HD23 HYP 4 1HD1 HYP 4 2.836 4.534 1.172 35 HD1 HYP 4 2HD HYP 4 4.686 4.778 0.994 36 H ASN 5 H ASN 5 1.000 1.545 3.948 37 HA ASN 5 HA ASN 5 2.618 -0.300 5.576 38 HB2 ASN 5 2HB ASN 5 1.033 2.076 6.601 39 HB3 ASN 5 1HB ASN 5 1.756 0.848 7.626 40 HD21 ASN 5 1HD2 ASN 5 4.016 0.809 7.865 41 HD22 ASN 5 2HD2 ASN 5 4.978 2.166 7.424 42 H GLN 6 H GLN 6 0.139 -0.185 3.737 43 HA GLN 6 HA GLN 6 -1.748 -1.420 5.570 44 HB2 GLN 6 2HB GLN 6 -2.120 -0.455 2.732 45 HB3 GLN 6 1HB GLN 6 -3.364 -1.223 3.702 46 HG2 GLN 6 2HG GLN 6 -2.005 1.386 4.353 47 HG3 GLN 6 1HG GLN 6 -3.594 1.222 3.618 48 HE21 GLN 6 1HE2 GLN 6 -4.599 2.316 5.289 49 HE22 GLN 6 2HE2 GLN 6 -4.814 1.622 6.854 50 H LYS 7 H LYS 7 -3.038 -3.170 4.315 51 HA LYS 7 HA LYS 7 -1.042 -5.124 3.521 52 HB2 LYS 7 2HB LYS 7 -3.043 -6.737 3.936 53 HB3 LYS 7 1HB LYS 7 -2.126 -6.104 5.297 54 HG2 LYS 7 2HG LYS 7 -4.465 -6.086 5.842 55 HG3 LYS 7 1HG LYS 7 -3.937 -4.425 5.639 56 HD2 LYS 7 2HD LYS 7 -6.116 -4.732 4.637 57 HD3 LYS 7 1HD LYS 7 -4.930 -4.428 3.368 58 HE2 LYS 7 2HE LYS 7 -4.852 -6.792 2.837 59 HE3 LYS 7 1HE LYS 7 -5.938 -7.156 4.178 60 HZ1 LYS 7 3HZ LYS 7 -6.634 -5.586 1.725 61 HZ2 LYS 7 1HZ LYS 7 -7.646 -5.836 3.057 62 HZ3 LYS 7 2HZ LYS 7 -7.165 -7.137 2.144 63 H CYS 8 H CYS 8 -1.303 -6.497 1.759 64 HA CYS 8 HA CYS 8 -3.526 -5.976 0.006 65 HB2 CYS 8 2HB CYS 8 -1.971 -5.701 -1.939 66 HB3 CYS 8 1HB CYS 8 -1.932 -4.361 -0.802 67 H PHE 9 H PHE 9 -3.589 -7.588 -1.738 68 HA PHE 9 HA PHE 9 -2.051 -9.984 -1.182 69 HB2 PHE 9 2HB PHE 9 -5.086 -9.922 -1.490 70 HB3 PHE 9 1HB PHE 9 -4.096 -11.359 -1.595 71 HD1 PHE 9 2HD PHE 9 -5.300 -8.742 0.748 72 HD2 PHE 9 1HD PHE 9 -3.290 -12.466 0.286 73 HE1 PHE 9 2HE PHE 9 -5.456 -9.143 3.172 74 HE2 PHE 9 1HE PHE 9 -3.448 -12.856 2.697 75 HZ PHE 9 HZ PHE 9 -4.534 -11.190 4.142 76 H GLN 10 H GLN 10 -3.147 -11.567 -3.211 77 HA GLN 10 HA GLN 10 -1.736 -10.345 -5.352 78 HB2 GLN 10 2HB GLN 10 -3.374 -12.866 -5.493 79 HB3 GLN 10 1HB GLN 10 -2.176 -12.333 -6.655 80 HG2 GLN 10 2HG GLN 10 -1.729 -13.308 -3.854 81 HG3 GLN 10 1HG GLN 10 -1.146 -14.000 -5.360 82 HE21 GLN 10 1HE2 GLN 10 0.552 -12.967 -6.440 83 HE22 GLN 10 2HE2 GLN 10 1.623 -11.893 -5.629 84 H HIS 11 H HIS 11 -5.187 -11.166 -4.994 85 HA HIS 11 HA HIS 11 -5.582 -9.468 -7.330 86 HB2 HIS 11 2HB HIS 11 -7.810 -10.474 -7.616 87 HB3 HIS 11 1HB HIS 11 -6.557 -11.702 -7.607 88 HD1 HIS 11 1HD HIS 11 -6.857 -13.584 -5.910 89 HD2 HIS 11 2HD HIS 11 -9.435 -10.389 -5.323 90 HE1 HIS 11 1HE HIS 11 -8.563 -14.367 -4.202 91 H LEU 12 H LEU 12 -5.597 -9.241 -4.133 92 HA LEU 12 HA LEU 12 -7.753 -7.259 -4.023 93 HB2 LEU 12 2HB LEU 12 -6.067 -8.323 -1.756 94 HB3 LEU 12 1HB LEU 12 -7.430 -7.254 -1.617 95 HG LEU 12 HG LEU 12 -7.649 -10.088 -2.631 96 HD11 LEU 12 1HD1 LEU 12 -8.668 -10.562 -0.479 97 HD12 LEU 12 2HD1 LEU 12 -8.334 -8.914 0.054 98 HD13 LEU 12 3HD1 LEU 12 -7.003 -10.024 -0.275 99 HD21 LEU 12 3HD2 LEU 12 -9.370 -8.600 -3.477 100 HD22 LEU 12 1HD2 LEU 12 -9.695 -8.050 -1.829 101 HD23 LEU 12 2HD2 LEU 12 -10.030 -9.724 -2.280 102 H ASP 13 H ASP 13 -6.884 -5.577 -5.054 103 HA ASP 13 HA ASP 13 -4.248 -4.594 -4.247 104 HB2 ASP 13 2HB ASP 13 -6.085 -3.478 -6.376 105 HB3 ASP 13 1HB ASP 13 -4.426 -3.016 -6.073 106 H ASP 14 H ASP 14 -5.086 -4.023 -2.124 107 HA ASP 14 HA ASP 14 -6.997 -1.934 -1.891 108 HB2 ASP 14 2HB ASP 14 -4.880 -2.925 0.039 109 HB3 ASP 14 1HB ASP 14 -5.975 -1.610 0.434 110 H CYS 15 H CYS 15 -3.503 -2.002 -1.842 111 HA CYS 15 HA CYS 15 -3.301 0.853 -1.784 112 HB2 CYS 15 2HB CYS 15 -1.259 -1.315 -2.110 113 HB3 CYS 15 1HB CYS 15 -0.837 0.383 -1.966 114 H CYS 16 H CYS 16 -2.634 2.177 -3.377 115 HA CYS 16 HA CYS 16 -3.596 1.583 -5.978 116 HB2 CYS 16 2HB CYS 16 -1.937 3.945 -5.148 117 HB3 CYS 16 1HB CYS 16 -3.222 3.886 -6.352 118 H SER 17 H SER 17 -0.512 1.460 -4.406 119 HA SER 17 HA SER 17 1.162 1.609 -6.654 120 HB2 SER 17 2HB SER 17 2.816 0.585 -5.069 121 HB3 SER 17 1HB SER 17 2.013 2.028 -4.448 122 HG SER 17 HG SER 17 2.166 0.262 -2.966 123 H ARG 18 H ARG 18 -0.794 -0.854 -5.226 124 HA ARG 18 HA ARG 18 -1.193 -3.029 -5.560 125 HB2 ARG 18 2HB ARG 18 -0.161 -2.381 -8.302 126 HB3 ARG 18 1HB ARG 18 -1.070 -3.826 -7.875 127 HG2 ARG 18 2HG ARG 18 -2.929 -2.403 -7.149 128 HG3 ARG 18 1HG ARG 18 -2.031 -0.990 -7.695 129 HD2 ARG 18 2HD ARG 18 -3.567 -1.651 -9.383 130 HD3 ARG 18 1HD ARG 18 -1.892 -1.953 -9.895 131 HE ARG 18 HE ARG 18 -3.234 -4.188 -8.675 132 HH11 ARG 18 1HH1 ARG 18 -2.317 -2.651 -11.729 133 HH12 ARG 18 2HH1 ARG 18 -2.608 -4.026 -12.678 134 HH21 ARG 18 1HH2 ARG 18 -3.709 -6.045 -9.963 135 HH22 ARG 18 2HH2 ARG 18 -3.466 -6.037 -11.645 136 H LYS 19 H LYS 19 1.443 -2.287 -4.562 137 HA LYS 19 HA LYS 19 2.991 -4.560 -5.561 138 HB2 LYS 19 2HB LYS 19 3.933 -2.362 -6.245 139 HB3 LYS 19 1HB LYS 19 4.072 -1.934 -4.553 140 HG2 LYS 19 2HG LYS 19 6.205 -2.628 -5.403 141 HG3 LYS 19 1HG LYS 19 5.630 -3.786 -4.206 142 HD2 LYS 19 2HD LYS 19 4.890 -5.259 -6.043 143 HD3 LYS 19 1HD LYS 19 5.540 -4.100 -7.207 144 HE2 LYS 19 2HE LYS 19 7.119 -5.537 -5.079 145 HE3 LYS 19 1HE LYS 19 7.082 -5.975 -6.785 146 HZ1 LYS 19 3HZ LYS 19 9.049 -4.686 -6.263 147 HZ2 LYS 19 1HZ LYS 19 8.124 -3.414 -5.663 148 HZ3 LYS 19 2HZ LYS 19 8.070 -3.813 -7.293 149 H CYS 20 H CYS 20 3.304 -6.025 -4.096 150 HA CYS 20 HA CYS 20 3.015 -5.351 -1.259 151 HB2 CYS 20 2HB CYS 20 2.662 -8.002 -2.673 152 HB3 CYS 20 1HB CYS 20 2.381 -7.694 -0.963 153 H ASN 21 H ASN 21 4.474 -6.234 0.180 154 HA ASN 21 HA ASN 21 6.993 -7.206 -0.974 155 HB2 ASN 21 2HB ASN 21 8.048 -6.657 1.211 156 HB3 ASN 21 1HB ASN 21 7.329 -5.257 0.445 157 HD21 ASN 21 1HD2 ASN 21 7.431 -4.291 2.528 158 HD22 ASN 21 2HD2 ASN 21 6.218 -4.590 3.714 159 H ARG 22 H ARG 22 8.129 -8.597 1.021 160 HA ARG 22 HA ARG 22 6.772 -11.070 0.904 161 HB2 ARG 22 2HB ARG 22 8.574 -11.960 2.248 162 HB3 ARG 22 1HB ARG 22 9.206 -10.922 0.981 163 HG2 ARG 22 2HG ARG 22 9.485 -9.118 2.617 164 HG3 ARG 22 1HG ARG 22 8.890 -10.190 3.885 165 HD2 ARG 22 2HD ARG 22 11.311 -10.157 3.909 166 HD3 ARG 22 1HD ARG 22 10.721 -11.742 3.402 167 HE ARG 22 HE ARG 22 11.495 -9.757 1.410 168 HH11 ARG 22 1HH1 ARG 22 12.004 -12.958 2.889 169 HH12 ARG 22 2HH1 ARG 22 13.148 -13.442 1.736 170 HH21 ARG 22 1HH2 ARG 22 13.072 -10.457 -0.158 171 HH22 ARG 22 2HH2 ARG 22 13.760 -12.010 -0.032 172 H PHE 23 H PHE 23 6.290 -8.490 3.019 173 HA PHE 23 HA PHE 23 5.371 -10.204 5.179 174 HB2 PHE 23 2HB PHE 23 5.538 -7.191 4.963 175 HB3 PHE 23 1HB PHE 23 4.934 -8.054 6.373 176 HD1 PHE 23 1HD PHE 23 6.477 -9.660 7.526 177 HD2 PHE 23 2HD PHE 23 7.831 -6.802 4.692 178 HE1 PHE 23 1HE PHE 23 8.744 -9.891 8.396 179 HE2 PHE 23 2HE PHE 23 10.115 -7.022 5.559 180 HZ PHE 23 HZ PHE 23 10.586 -8.567 7.415 181 H ASN 24 H ASN 24 4.240 -9.250 2.310 182 HA ASN 24 HA ASN 24 2.262 -9.175 1.272 183 HB2 ASN 24 2HB ASN 24 1.087 -10.124 3.913 184 HB3 ASN 24 1HB ASN 24 0.200 -10.024 2.397 185 HD21 ASN 24 1HD2 ASN 24 2.475 -11.806 4.241 186 HD22 ASN 24 2HD2 ASN 24 2.619 -13.156 3.177 187 H LYS 25 H LYS 25 3.393 -7.014 2.814 188 HA LYS 25 HA LYS 25 1.034 -5.338 3.159 189 HB2 LYS 25 2HB LYS 25 3.872 -4.977 4.146 190 HB3 LYS 25 1HB LYS 25 2.594 -3.788 4.331 191 HG2 LYS 25 2HG LYS 25 2.650 -6.547 5.538 192 HG3 LYS 25 1HG LYS 25 2.928 -5.032 6.396 193 HD2 LYS 25 2HD LYS 25 0.603 -4.338 5.685 194 HD3 LYS 25 1HD LYS 25 0.376 -5.985 5.098 195 HE2 LYS 25 2HE LYS 25 -0.579 -5.809 7.297 196 HE3 LYS 25 1HE LYS 25 0.866 -6.812 7.380 197 HZ1 LYS 25 3HZ LYS 25 0.725 -3.948 8.103 198 HZ2 LYS 25 1HZ LYS 25 2.100 -4.923 8.225 199 HZ3 LYS 25 2HZ LYS 25 0.749 -5.223 9.193 200 H CYS 26 H CYS 26 1.394 -3.120 2.393 201 HA CYS 26 HA CYS 26 2.192 -3.256 -0.362 202 HB2 CYS 26 2HB CYS 26 1.249 -0.926 1.275 203 HB3 CYS 26 1HB CYS 26 1.313 -1.014 -0.482 204 H VAL 27 H VAL 27 3.841 -2.096 -1.323 205 HA VAL 27 HA VAL 27 5.545 -0.535 0.455 206 HB VAL 27 HB VAL 27 7.518 -1.164 -1.043 207 HG11 VAL 27 1HG1 VAL 27 7.912 -3.288 0.109 208 HG12 VAL 27 2HG1 VAL 27 6.231 -3.280 0.659 209 HG13 VAL 27 3HG1 VAL 27 7.347 -2.016 1.184 210 HG21 VAL 27 3HG2 VAL 27 6.268 -2.126 -2.889 211 HG22 VAL 27 1HG2 VAL 27 5.655 -3.393 -1.827 212 HG23 VAL 27 2HG2 VAL 27 7.376 -3.315 -2.196 213 H LEU 28 H LEU 28 7.053 0.882 -0.882 214 HA LEU 28 HA LEU 28 5.350 2.606 -2.394 215 HB2 LEU 28 2HB LEU 28 7.131 3.322 -0.748 216 HB3 LEU 28 1HB LEU 28 8.328 2.763 -1.894 217 HG LEU 28 HG LEU 28 7.411 4.449 -3.525 218 HD11 LEU 28 1HD1 LEU 28 6.000 5.478 -1.072 219 HD12 LEU 28 2HD1 LEU 28 5.218 4.770 -2.478 220 HD13 LEU 28 3HD1 LEU 28 6.094 6.293 -2.631 221 HD21 LEU 28 3HD2 LEU 28 8.556 5.465 -0.925 222 HD22 LEU 28 1HD2 LEU 28 8.560 6.339 -2.457 223 HD23 LEU 28 2HD2 LEU 28 9.470 4.838 -2.296 224 HA PRO 29 HA PRO 29 6.666 0.677 -6.208 225 HB2 PRO 29 2HB PRO 29 5.377 2.292 -7.935 226 HB3 PRO 29 1HB PRO 29 4.509 1.111 -6.948 227 HG2 PRO 29 2HG PRO 29 4.775 4.056 -6.584 228 HG3 PRO 29 1HG PRO 29 3.386 3.000 -6.277 229 HD2 PRO 29 2HD PRO 29 5.129 3.941 -4.345 230 HD3 PRO 29 1HD PRO 29 4.082 2.519 -4.162 231 H GLU 30 H GLU 30 7.923 1.238 -8.082 232 HA GLU 30 HA GLU 30 10.043 3.026 -7.435 233 HB2 GLU 30 2HB GLU 30 10.162 0.791 -8.668 234 HB3 GLU 30 1HB GLU 30 9.545 1.648 -10.070 235 HG2 GLU 30 2HG GLU 30 11.922 1.454 -10.244 236 HG3 GLU 30 1HG GLU 30 11.499 3.143 -9.961 237 H THR 31 H THR 31 7.081 3.338 -9.109 238 HA THR 31 HA THR 31 7.802 5.554 -10.782 239 HB THR 31 HB THR 31 5.320 5.673 -11.106 240 HG1 THR 31 1HG THR 31 4.593 4.922 -9.280 241 HG21 THR 31 3HG2 THR 31 6.626 2.972 -11.467 242 HG22 THR 31 1HG2 THR 31 6.676 4.307 -12.611 243 HG23 THR 31 2HG2 THR 31 5.150 3.488 -12.276 244 H GLY 32 H GLY 32 7.504 5.278 -7.523 245 HA2 GLY 32 2HA GLY 32 7.600 7.017 -5.985 246 HA3 GLY 32 1HA GLY 32 6.971 8.111 -7.217 247 H GLY 33 H GLY 33 4.802 8.262 -7.553 248 HA2 GLY 33 2HA GLY 33 2.545 7.733 -7.247 249 HA3 GLY 33 1HA GLY 33 3.012 6.560 -6.024 250 H GLY 34 H GLY 34 1.054 7.745 -5.169 251 HA2 GLY 34 2HA GLY 34 1.758 9.155 -2.885 252 HA3 GLY 34 1HA GLY 34 1.256 10.339 -4.092 Start of MODEL 13 1 H1 CYS 1 H CYS 1 0.655 8.315 -3.053 2 HA CYS 1 HA CYS 1 -1.596 8.392 -3.147 3 HB2 CYS 1 2HB CYS 1 -1.556 7.510 -5.391 4 HB3 CYS 1 1HB CYS 1 -1.288 5.882 -4.800 5 H ARG 2 H ARG 2 -0.721 5.193 -2.630 6 HA ARG 2 HA ARG 2 -2.619 4.910 -0.427 7 HB2 ARG 2 2HB ARG 2 -2.687 3.096 -1.946 8 HB3 ARG 2 1HB ARG 2 -0.938 2.984 -2.009 9 HG2 ARG 2 2HG ARG 2 -1.764 2.582 0.665 10 HG3 ARG 2 1HG ARG 2 -2.730 1.530 -0.385 11 HD2 ARG 2 2HD ARG 2 -0.653 0.429 0.347 12 HD3 ARG 2 1HD ARG 2 -0.682 0.660 -1.399 13 HE ARG 2 HE ARG 2 0.647 2.704 0.172 14 HH11 ARG 2 1HH1 ARG 2 1.093 -0.227 -1.721 15 HH12 ARG 2 2HH1 ARG 2 2.732 0.092 -2.080 16 HH21 ARG 2 1HH2 ARG 2 2.929 3.128 -0.299 17 HH22 ARG 2 2HH2 ARG 2 3.766 2.025 -1.271 18 H ILE 3 H ILE 3 -1.932 4.675 1.709 19 HA ILE 3 HA ILE 3 0.741 5.386 2.248 20 HB ILE 3 HB ILE 3 0.132 4.896 4.711 21 HG12 ILE 3 2HG1 ILE 3 -2.642 4.683 3.501 22 HG13 ILE 3 1HG1 ILE 3 -1.761 3.365 4.270 23 HG21 ILE 3 1HG2 ILE 3 0.198 7.125 3.800 24 HG22 ILE 3 2HG2 ILE 3 -1.168 6.962 4.903 25 HG23 ILE 3 3HG2 ILE 3 -1.436 6.938 3.160 26 HD11 ILE 3 3HD1 ILE 3 -1.857 4.576 6.397 27 HD12 ILE 3 1HD1 ILE 3 -3.465 4.282 5.736 28 HD13 ILE 3 2HD1 ILE 3 -2.736 5.884 5.606 29 HA HYP 4 HA HYP 4 2.463 1.387 1.782 30 HB2 HYP 4 2HB HYP 4 4.839 2.246 3.253 31 HB3 HYP 4 1HB HYP 4 4.628 2.012 1.511 32 HG HYP 4 HG HYP 4 4.971 4.479 2.441 33 HD22 HYP 4 2HD1 HYP 4 3.199 4.332 4.112 34 HD23 HYP 4 1HD1 HYP 4 2.495 5.263 2.768 35 HD1 HYP 4 2HD HYP 4 3.609 5.220 0.871 36 H ASN 5 H ASN 5 0.985 1.765 4.376 37 HA ASN 5 HA ASN 5 2.335 -0.403 5.846 38 HB2 ASN 5 2HB ASN 5 1.301 0.428 7.921 39 HB3 ASN 5 1HB ASN 5 2.292 1.684 7.192 40 HD21 ASN 5 1HD2 ASN 5 -0.008 1.827 9.044 41 HD22 ASN 5 2HD2 ASN 5 -1.160 2.855 8.284 42 H GLN 6 H GLN 6 -0.067 0.254 3.833 43 HA GLN 6 HA GLN 6 -2.276 -1.062 5.026 44 HB2 GLN 6 2HB GLN 6 -1.606 -0.502 2.142 45 HB3 GLN 6 1HB GLN 6 -3.097 -1.262 2.656 46 HG2 GLN 6 2HG GLN 6 -2.182 1.493 3.434 47 HG3 GLN 6 1HG GLN 6 -3.349 1.123 2.168 48 HE21 GLN 6 1HE2 GLN 6 -5.371 0.278 2.757 49 HE22 GLN 6 2HE2 GLN 6 -6.008 0.524 4.343 50 H LYS 7 H LYS 7 -2.795 -3.173 5.015 51 HA LYS 7 HA LYS 7 -1.022 -5.131 4.011 52 HB2 LYS 7 2HB LYS 7 -3.135 -6.679 4.245 53 HB3 LYS 7 1HB LYS 7 -2.317 -6.087 5.666 54 HG2 LYS 7 2HG LYS 7 -4.728 -6.071 5.960 55 HG3 LYS 7 1HG LYS 7 -4.088 -4.438 6.013 56 HD2 LYS 7 2HD LYS 7 -5.163 -5.449 3.418 57 HD3 LYS 7 1HD LYS 7 -6.316 -5.072 4.697 58 HE2 LYS 7 2HE LYS 7 -5.536 -2.789 4.793 59 HE3 LYS 7 1HE LYS 7 -4.206 -3.157 3.700 60 HZ1 LYS 7 3HZ LYS 7 -5.922 -3.714 2.022 61 HZ2 LYS 7 1HZ LYS 7 -5.890 -2.082 2.440 62 HZ3 LYS 7 2HZ LYS 7 -7.090 -3.091 3.061 63 H CYS 8 H CYS 8 -1.202 -6.459 2.104 64 HA CYS 8 HA CYS 8 -2.842 -5.012 0.158 65 HB2 CYS 8 2HB CYS 8 -1.206 -5.545 -1.548 66 HB3 CYS 8 1HB CYS 8 -0.512 -4.601 -0.239 67 H PHE 9 H PHE 9 -3.931 -6.008 -1.378 68 HA PHE 9 HA PHE 9 -3.814 -8.868 -1.628 69 HB2 PHE 9 2HB PHE 9 -6.348 -7.229 -1.238 70 HB3 PHE 9 1HB PHE 9 -6.343 -8.902 -1.791 71 HD1 PHE 9 2HD PHE 9 -5.619 -10.694 -0.234 72 HD2 PHE 9 1HD PHE 9 -6.119 -6.674 1.079 73 HE1 PHE 9 2HE PHE 9 -5.659 -11.454 2.103 74 HE2 PHE 9 1HE PHE 9 -6.160 -7.439 3.410 75 HZ PHE 9 HZ PHE 9 -5.926 -9.832 3.921 76 H GLN 10 H GLN 10 -4.024 -9.441 -3.715 77 HA GLN 10 HA GLN 10 -2.869 -7.671 -5.509 78 HB2 GLN 10 2HB GLN 10 -4.308 -10.214 -6.186 79 HB3 GLN 10 1HB GLN 10 -3.133 -9.389 -7.192 80 HG2 GLN 10 2HG GLN 10 -2.611 -10.658 -4.510 81 HG3 GLN 10 1HG GLN 10 -2.154 -11.311 -6.074 82 HE21 GLN 10 1HE2 GLN 10 -1.279 -8.641 -7.099 83 HE22 GLN 10 2HE2 GLN 10 0.201 -8.349 -6.275 84 H HIS 11 H HIS 11 -6.291 -8.391 -5.153 85 HA HIS 11 HA HIS 11 -6.837 -6.986 -7.664 86 HB2 HIS 11 2HB HIS 11 -8.709 -8.605 -5.929 87 HB3 HIS 11 1HB HIS 11 -9.112 -7.867 -7.468 88 HD1 HIS 11 1HD HIS 11 -7.649 -10.892 -5.984 89 HD2 HIS 11 2HD HIS 11 -7.822 -9.087 -9.712 90 HE1 HIS 11 1HE HIS 11 -7.040 -12.684 -7.644 91 H LEU 12 H LEU 12 -6.375 -5.980 -4.652 92 HA LEU 12 HA LEU 12 -8.819 -4.403 -4.506 93 HB2 LEU 12 2HB LEU 12 -6.534 -4.589 -2.561 94 HB3 LEU 12 1HB LEU 12 -7.926 -3.558 -2.343 95 HG LEU 12 HG LEU 12 -7.867 -6.568 -2.342 96 HD11 LEU 12 1HD1 LEU 12 -8.605 -4.563 -0.222 97 HD12 LEU 12 2HD1 LEU 12 -7.080 -5.431 -0.318 98 HD13 LEU 12 3HD1 LEU 12 -8.582 -6.320 -0.038 99 HD21 LEU 12 3HD2 LEU 12 -9.917 -5.843 -3.450 100 HD22 LEU 12 1HD2 LEU 12 -10.256 -4.729 -2.122 101 HD23 LEU 12 2HD2 LEU 12 -10.269 -6.468 -1.843 102 H ASP 13 H ASP 13 -8.970 -2.293 -4.723 103 HA ASP 13 HA ASP 13 -6.838 -0.972 -6.163 104 HB2 ASP 13 2HB ASP 13 -8.390 0.841 -6.532 105 HB3 ASP 13 1HB ASP 13 -9.229 -0.675 -6.831 106 H ASP 14 H ASP 14 -7.709 -1.405 -3.038 107 HA ASP 14 HA ASP 14 -7.187 0.921 -1.628 108 HB2 ASP 14 2HB ASP 14 -7.933 -1.228 -0.621 109 HB3 ASP 14 1HB ASP 14 -6.328 -1.890 -0.887 110 H CYS 15 H CYS 15 -4.944 -1.421 -2.966 111 HA CYS 15 HA CYS 15 -2.718 0.309 -2.302 112 HB2 CYS 15 2HB CYS 15 -2.799 -2.448 -3.549 113 HB3 CYS 15 1HB CYS 15 -1.370 -1.453 -3.493 114 H CYS 16 H CYS 16 -2.895 2.070 -3.601 115 HA CYS 16 HA CYS 16 -3.533 2.122 -6.301 116 HB2 CYS 16 2HB CYS 16 -1.522 3.888 -4.908 117 HB3 CYS 16 1HB CYS 16 -2.421 4.293 -6.370 118 H SER 17 H SER 17 -0.447 1.500 -4.703 119 HA SER 17 HA SER 17 1.172 1.425 -7.011 120 HB2 SER 17 2HB SER 17 1.672 0.091 -4.379 121 HB3 SER 17 1HB SER 17 2.837 0.817 -5.487 122 HG SER 17 HG SER 17 1.758 2.861 -5.029 123 H ARG 18 H ARG 18 -0.991 -0.850 -5.542 124 HA ARG 18 HA ARG 18 -1.300 -3.079 -5.497 125 HB2 ARG 18 2HB ARG 18 -0.347 -2.765 -8.327 126 HB3 ARG 18 1HB ARG 18 -1.139 -4.206 -7.700 127 HG2 ARG 18 2HG ARG 18 -3.087 -2.801 -7.100 128 HG3 ARG 18 1HG ARG 18 -2.297 -1.444 -7.905 129 HD2 ARG 18 2HD ARG 18 -3.831 -2.437 -9.405 130 HD3 ARG 18 1HD ARG 18 -2.166 -2.775 -9.922 131 HE ARG 18 HE ARG 18 -3.046 -4.893 -8.326 132 HH11 ARG 18 1HH1 ARG 18 -3.732 -3.600 -11.556 133 HH12 ARG 18 2HH1 ARG 18 -4.224 -5.093 -12.189 134 HH21 ARG 18 1HH2 ARG 18 -3.707 -6.895 -9.180 135 HH22 ARG 18 2HH2 ARG 18 -4.209 -7.037 -10.814 136 H LYS 19 H LYS 19 1.428 -2.276 -4.653 137 HA LYS 19 HA LYS 19 2.817 -4.716 -5.407 138 HB2 LYS 19 2HB LYS 19 4.023 -1.990 -5.062 139 HB3 LYS 19 1HB LYS 19 5.001 -3.456 -5.000 140 HG2 LYS 19 2HG LYS 19 4.184 -4.081 -7.223 141 HG3 LYS 19 1HG LYS 19 3.253 -2.591 -7.282 142 HD2 LYS 19 2HD LYS 19 5.272 -1.277 -7.269 143 HD3 LYS 19 1HD LYS 19 6.257 -2.716 -6.985 144 HE2 LYS 19 2HE LYS 19 5.470 -3.631 -9.146 145 HE3 LYS 19 1HE LYS 19 4.594 -2.131 -9.434 146 HZ1 LYS 19 3HZ LYS 19 6.682 -0.940 -9.504 147 HZ2 LYS 19 1HZ LYS 19 6.731 -2.236 -10.555 148 HZ3 LYS 19 2HZ LYS 19 7.548 -2.329 -9.097 149 H CYS 20 H CYS 20 3.982 -5.829 -4.010 150 HA CYS 20 HA CYS 20 3.340 -5.320 -1.177 151 HB2 CYS 20 2HB CYS 20 3.177 -7.908 -2.685 152 HB3 CYS 20 1HB CYS 20 2.946 -7.718 -0.954 153 H ASN 21 H ASN 21 4.814 -6.075 0.283 154 HA ASN 21 HA ASN 21 7.301 -7.123 -0.806 155 HB2 ASN 21 2HB ASN 21 8.261 -6.848 1.473 156 HB3 ASN 21 1HB ASN 21 7.618 -5.339 0.863 157 HD21 ASN 21 1HD2 ASN 21 7.539 -4.522 2.940 158 HD22 ASN 21 2HD2 ASN 21 6.363 -4.971 4.099 159 H ARG 22 H ARG 22 8.245 -8.892 0.747 160 HA ARG 22 HA ARG 22 6.660 -11.159 0.319 161 HB2 ARG 22 2HB ARG 22 8.407 -12.407 1.449 162 HB3 ARG 22 1HB ARG 22 9.073 -11.251 0.309 163 HG2 ARG 22 2HG ARG 22 9.465 -9.725 2.286 164 HG3 ARG 22 1HG ARG 22 9.067 -11.109 3.308 165 HD2 ARG 22 2HD ARG 22 11.474 -10.977 3.004 166 HD3 ARG 22 1HD ARG 22 10.829 -12.407 2.190 167 HE ARG 22 HE ARG 22 10.941 -10.148 0.485 168 HH11 ARG 22 1HH1 ARG 22 12.955 -12.776 1.768 169 HH12 ARG 22 2HH1 ARG 22 14.049 -12.754 0.478 170 HH21 ARG 22 1HH2 ARG 22 12.414 -10.166 -1.324 171 HH22 ARG 22 2HH2 ARG 22 13.736 -11.242 -1.312 172 H PHE 23 H PHE 23 6.416 -8.961 2.843 173 HA PHE 23 HA PHE 23 5.405 -10.965 4.698 174 HB2 PHE 23 2HB PHE 23 6.060 -8.050 5.162 175 HB3 PHE 23 1HB PHE 23 5.476 -9.168 6.393 176 HD1 PHE 23 2HD PHE 23 6.892 -11.373 6.625 177 HD2 PHE 23 1HD PHE 23 8.338 -7.731 4.964 178 HE1 PHE 23 2HE PHE 23 9.186 -12.097 7.058 179 HE2 PHE 23 1HE PHE 23 10.649 -8.456 5.395 180 HZ PHE 23 HZ PHE 23 11.078 -10.640 6.444 181 H ASN 24 H ASN 24 4.184 -9.420 2.213 182 HA ASN 24 HA ASN 24 2.095 -9.110 1.445 183 HB2 ASN 24 2HB ASN 24 1.518 -11.097 2.954 184 HB3 ASN 24 1HB ASN 24 1.010 -9.940 4.168 185 HD21 ASN 24 1HD2 ASN 24 -1.030 -9.083 4.004 186 HD22 ASN 24 2HD2 ASN 24 -2.152 -9.443 2.742 187 H LYS 25 H LYS 25 3.643 -7.131 3.143 188 HA LYS 25 HA LYS 25 1.481 -5.274 3.665 189 HB2 LYS 25 2HB LYS 25 4.422 -5.141 4.243 190 HB3 LYS 25 1HB LYS 25 3.395 -3.716 4.333 191 HG2 LYS 25 2HG LYS 25 1.972 -4.924 5.978 192 HG3 LYS 25 1HG LYS 25 3.160 -6.233 5.965 193 HD2 LYS 25 2HD LYS 25 4.861 -4.738 6.673 194 HD3 LYS 25 1HD LYS 25 3.757 -3.367 6.609 195 HE2 LYS 25 2HE LYS 25 4.026 -4.091 8.929 196 HE3 LYS 25 1HE LYS 25 2.382 -4.394 8.382 197 HZ1 LYS 25 3HZ LYS 25 4.543 -6.433 8.597 198 HZ2 LYS 25 1HZ LYS 25 2.959 -6.737 8.088 199 HZ3 LYS 25 2HZ LYS 25 3.257 -6.235 9.648 200 H CYS 26 H CYS 26 1.372 -3.280 2.588 201 HA CYS 26 HA CYS 26 2.088 -3.654 -0.182 202 HB2 CYS 26 2HB CYS 26 -0.209 -2.933 0.869 203 HB3 CYS 26 1HB CYS 26 0.547 -1.353 0.925 204 H VAL 27 H VAL 27 3.935 -2.842 -0.868 205 HA VAL 27 HA VAL 27 5.128 -0.636 0.632 206 HB VAL 27 HB VAL 27 7.291 -1.268 -0.422 207 HG11 VAL 27 1HG1 VAL 27 5.919 -3.446 1.133 208 HG12 VAL 27 2HG1 VAL 27 6.705 -2.020 1.808 209 HG13 VAL 27 3HG1 VAL 27 7.660 -3.234 0.960 210 HG21 VAL 27 3HG2 VAL 27 6.449 -2.407 -2.413 211 HG22 VAL 27 1HG2 VAL 27 5.744 -3.673 -1.406 212 HG23 VAL 27 2HG2 VAL 27 7.494 -3.482 -1.482 213 H LEU 28 H LEU 28 6.453 0.851 -0.540 214 HA LEU 28 HA LEU 28 5.055 2.071 -2.699 215 HB2 LEU 28 2HB LEU 28 6.358 3.242 -0.899 216 HB3 LEU 28 1HB LEU 28 7.824 2.604 -1.621 217 HG LEU 28 HG LEU 28 7.196 3.876 -3.712 218 HD11 LEU 28 1HD1 LEU 28 4.836 4.191 -3.219 219 HD12 LEU 28 2HD1 LEU 28 5.650 5.736 -3.454 220 HD13 LEU 28 3HD1 LEU 28 5.253 5.188 -1.826 221 HD21 LEU 28 3HD2 LEU 28 8.025 6.005 -2.838 222 HD22 LEU 28 1HD2 LEU 28 8.933 4.644 -2.182 223 HD23 LEU 28 2HD2 LEU 28 7.716 5.452 -1.191 224 HA PRO 29 HA PRO 29 7.214 -0.179 -5.991 225 HB2 PRO 29 2HB PRO 29 6.893 2.358 -7.489 226 HB3 PRO 29 1HB PRO 29 6.364 0.731 -7.931 227 HG2 PRO 29 2HG PRO 29 4.612 2.582 -7.164 228 HG3 PRO 29 1HG PRO 29 4.432 0.879 -6.698 229 HD2 PRO 29 2HD PRO 29 5.423 3.192 -5.047 230 HD3 PRO 29 1HD PRO 29 4.388 1.826 -4.586 231 H GLU 30 H GLU 30 9.248 0.009 -7.120 232 HA GLU 30 HA GLU 30 11.183 1.425 -5.581 233 HB2 GLU 30 2HB GLU 30 11.515 -0.147 -8.139 234 HB3 GLU 30 1HB GLU 30 12.831 0.427 -7.126 235 HG2 GLU 30 2HG GLU 30 10.700 -1.510 -6.240 236 HG3 GLU 30 1HG GLU 30 12.305 -1.974 -6.802 237 H THR 31 H THR 31 9.409 2.165 -8.399 238 HA THR 31 HA THR 31 11.294 4.138 -9.364 239 HB THR 31 HB THR 31 8.469 3.765 -10.349 240 HG1 THR 31 1HG THR 31 10.774 2.149 -10.701 241 HG21 THR 31 3HG2 THR 31 9.502 4.343 -12.508 242 HG22 THR 31 1HG2 THR 31 11.082 4.430 -11.729 243 HG23 THR 31 2HG2 THR 31 9.826 5.592 -11.307 244 H GLY 32 H GLY 32 8.855 4.052 -6.982 245 HA2 GLY 32 2HA GLY 32 8.711 6.077 -5.625 246 HA3 GLY 32 1HA GLY 32 8.567 6.977 -7.129 247 H GLY 33 H GLY 33 6.570 7.873 -6.769 248 HA2 GLY 33 2HA GLY 33 4.287 7.745 -7.251 249 HA3 GLY 33 1HA GLY 33 4.338 6.010 -6.960 250 H GLY 34 H GLY 34 2.582 6.052 -5.548 251 HA2 GLY 34 2HA GLY 34 3.003 6.018 -2.912 252 HA3 GLY 34 1HA GLY 34 2.667 7.719 -3.204 Start of MODEL 14 1 H1 CYS 1 H CYS 1 2.238 7.459 -1.434 2 HA CYS 1 HA CYS 1 0.372 6.341 -3.194 3 HB2 CYS 1 2HB CYS 1 2.349 4.856 -3.619 4 HB3 CYS 1 1HB CYS 1 2.247 4.288 -1.957 5 H ARG 2 H ARG 2 -0.365 4.149 -1.566 6 HA ARG 2 HA ARG 2 -1.755 5.188 0.625 7 HB2 ARG 2 2HB ARG 2 -0.798 2.376 0.115 8 HB3 ARG 2 1HB ARG 2 -1.960 2.831 1.345 9 HG2 ARG 2 2HG ARG 2 -2.329 3.228 -1.600 10 HG3 ARG 2 1HG ARG 2 -2.959 1.873 -0.644 11 HD2 ARG 2 2HD ARG 2 -3.601 4.773 -0.196 12 HD3 ARG 2 1HD ARG 2 -4.642 3.615 -1.027 13 HE ARG 2 HE ARG 2 -4.717 2.361 1.051 14 HH11 ARG 2 1HH1 ARG 2 -3.965 5.863 1.200 15 HH12 ARG 2 2HH1 ARG 2 -4.501 6.042 2.804 16 HH21 ARG 2 1HH2 ARG 2 -5.468 2.667 3.237 17 HH22 ARG 2 2HH2 ARG 2 -5.365 4.192 3.994 18 H ILE 3 H ILE 3 -1.455 4.094 2.813 19 HA ILE 3 HA ILE 3 1.090 4.893 3.770 20 HB ILE 3 HB ILE 3 0.238 4.175 6.053 21 HG12 ILE 3 2HG1 ILE 3 -2.282 3.563 4.470 22 HG13 ILE 3 1HG1 ILE 3 -1.287 2.435 5.390 23 HG21 ILE 3 1HG2 ILE 3 0.005 6.472 5.259 24 HG22 ILE 3 2HG2 ILE 3 -1.374 5.997 6.244 25 HG23 ILE 3 3HG2 ILE 3 -1.524 6.054 4.487 26 HD11 ILE 3 3HD1 ILE 3 -3.385 3.059 6.499 27 HD12 ILE 3 1HD1 ILE 3 -2.811 4.718 6.602 28 HD13 ILE 3 2HD1 ILE 3 -1.951 3.427 7.454 29 HA HYP 4 HA HYP 4 2.918 1.050 2.875 30 HB2 HYP 4 2HB HYP 4 5.160 1.586 4.628 31 HB3 HYP 4 1HB HYP 4 5.067 1.729 2.874 32 HG HYP 4 HG HYP 4 5.339 3.917 4.404 33 HD22 HYP 4 2HD1 HYP 4 3.336 3.612 5.708 34 HD23 HYP 4 1HD1 HYP 4 2.823 4.721 4.411 35 HD1 HYP 4 2HD HYP 4 3.424 3.935 2.401 36 H ASN 5 H ASN 5 1.211 1.065 5.412 37 HA ASN 5 HA ASN 5 2.342 -1.459 6.336 38 HB2 ASN 5 2HB ASN 5 1.532 -1.131 8.587 39 HB3 ASN 5 1HB ASN 5 2.536 0.239 8.147 40 HD21 ASN 5 1HD2 ASN 5 0.515 -0.052 10.197 41 HD22 ASN 5 2HD2 ASN 5 -0.662 1.177 9.909 42 H GLN 6 H GLN 6 0.062 -0.176 4.517 43 HA GLN 6 HA GLN 6 -2.328 -1.482 5.291 44 HB2 GLN 6 2HB GLN 6 -1.312 -0.647 2.565 45 HB3 GLN 6 1HB GLN 6 -2.896 -1.353 2.818 46 HG2 GLN 6 2HG GLN 6 -1.912 1.209 4.027 47 HG3 GLN 6 1HG GLN 6 -2.930 1.083 2.597 48 HE21 GLN 6 1HE2 GLN 6 -5.062 0.466 2.808 49 HE22 GLN 6 2HE2 GLN 6 -5.874 0.458 4.341 50 H LYS 7 H LYS 7 -3.075 -3.521 4.797 51 HA LYS 7 HA LYS 7 -1.055 -5.359 3.815 52 HB2 LYS 7 2HB LYS 7 -3.741 -5.837 5.113 53 HB3 LYS 7 1HB LYS 7 -2.726 -7.120 4.490 54 HG2 LYS 7 2HG LYS 7 -2.004 -5.218 6.730 55 HG3 LYS 7 1HG LYS 7 -2.510 -6.897 6.910 56 HD2 LYS 7 2HD LYS 7 -0.008 -5.994 5.451 57 HD3 LYS 7 1HD LYS 7 -0.060 -6.593 7.101 58 HE2 LYS 7 2HE LYS 7 -0.939 -8.182 4.681 59 HE3 LYS 7 1HE LYS 7 0.637 -8.310 5.447 60 HZ1 LYS 7 3HZ LYS 7 -0.863 -10.042 6.194 61 HZ2 LYS 7 1HZ LYS 7 -1.961 -8.907 6.764 62 HZ3 LYS 7 2HZ LYS 7 -0.444 -9.047 7.476 63 H CYS 8 H CYS 8 -1.077 -5.999 1.824 64 HA CYS 8 HA CYS 8 -3.589 -5.865 0.373 65 HB2 CYS 8 2HB CYS 8 -2.340 -5.034 -1.597 66 HB3 CYS 8 1HB CYS 8 -2.333 -3.889 -0.261 67 H PHE 9 H PHE 9 -3.717 -7.324 -1.289 68 HA PHE 9 HA PHE 9 -1.723 -9.462 -1.312 69 HB2 PHE 9 2HB PHE 9 -4.748 -9.753 -1.263 70 HB3 PHE 9 1HB PHE 9 -3.621 -11.071 -1.513 71 HD1 PHE 9 2HD PHE 9 -2.263 -11.925 0.313 72 HD2 PHE 9 1HD PHE 9 -5.076 -8.786 0.984 73 HE1 PHE 9 2HE PHE 9 -2.120 -12.299 2.732 74 HE2 PHE 9 1HE PHE 9 -4.931 -9.166 3.388 75 HZ PHE 9 HZ PHE 9 -3.450 -10.924 4.272 76 H GLN 10 H GLN 10 -2.944 -10.941 -3.357 77 HA GLN 10 HA GLN 10 -2.391 -9.203 -5.539 78 HB2 GLN 10 2HB GLN 10 -2.931 -11.157 -6.997 79 HB3 GLN 10 1HB GLN 10 -1.702 -11.473 -5.789 80 HG2 GLN 10 2HG GLN 10 -3.318 -12.646 -4.418 81 HG3 GLN 10 1HG GLN 10 -4.576 -12.282 -5.595 82 HE21 GLN 10 1HE2 GLN 10 -3.484 -14.832 -4.639 83 HE22 GLN 10 2HE2 GLN 10 -2.985 -15.646 -6.068 84 H HIS 11 H HIS 11 -5.387 -10.780 -4.456 85 HA HIS 11 HA HIS 11 -6.865 -9.218 -6.418 86 HB2 HIS 11 2HB HIS 11 -7.796 -11.316 -4.443 87 HB3 HIS 11 1HB HIS 11 -8.853 -10.466 -5.557 88 HD1 HIS 11 1HD HIS 11 -6.317 -13.219 -5.423 89 HD2 HIS 11 2HD HIS 11 -8.641 -11.215 -8.226 90 HE1 HIS 11 1HE HIS 11 -6.250 -14.631 -7.526 91 H LEU 12 H LEU 12 -6.232 -9.333 -3.034 92 HA LEU 12 HA LEU 12 -8.167 -7.231 -2.532 93 HB2 LEU 12 2HB LEU 12 -6.318 -8.690 -0.638 94 HB3 LEU 12 1HB LEU 12 -7.360 -7.383 -0.147 95 HG LEU 12 HG LEU 12 -9.324 -8.829 -0.817 96 HD11 LEU 12 1HD1 LEU 12 -8.983 -11.234 -0.979 97 HD12 LEU 12 2HD1 LEU 12 -7.237 -10.997 -0.946 98 HD13 LEU 12 3HD1 LEU 12 -8.184 -10.387 -2.303 99 HD21 LEU 12 3HD2 LEU 12 -7.481 -9.824 1.338 100 HD22 LEU 12 1HD2 LEU 12 -9.199 -10.198 1.201 101 HD23 LEU 12 2HD2 LEU 12 -8.679 -8.537 1.481 102 H ASP 13 H ASP 13 -7.224 -5.679 -3.809 103 HA ASP 13 HA ASP 13 -4.632 -4.691 -2.894 104 HB2 ASP 13 2HB ASP 13 -4.528 -5.159 -5.219 105 HB3 ASP 13 1HB ASP 13 -6.064 -4.354 -5.519 106 H ASP 14 H ASP 14 -4.379 -2.777 -2.153 107 HA ASP 14 HA ASP 14 -6.625 -0.878 -2.116 108 HB2 ASP 14 2HB ASP 14 -6.434 -1.950 0.112 109 HB3 ASP 14 1HB ASP 14 -4.735 -1.516 0.183 110 H CYS 15 H CYS 15 -3.708 -1.510 -3.336 111 HA CYS 15 HA CYS 15 -2.352 0.926 -2.555 112 HB2 CYS 15 2HB CYS 15 -1.405 -1.504 -4.039 113 HB3 CYS 15 1HB CYS 15 -0.407 -0.145 -3.524 114 H CYS 16 H CYS 16 -0.904 1.733 -4.399 115 HA CYS 16 HA CYS 16 -2.613 2.721 -6.422 116 HB2 CYS 16 2HB CYS 16 0.368 3.037 -6.215 117 HB3 CYS 16 1HB CYS 16 -0.803 4.130 -6.949 118 H SER 17 H SER 17 -0.059 0.298 -6.202 119 HA SER 17 HA SER 17 -0.384 -0.290 -9.072 120 HB2 SER 17 2HB SER 17 2.253 -0.261 -7.609 121 HB3 SER 17 1HB SER 17 1.985 -0.448 -9.341 122 HG SER 17 HG SER 17 1.066 1.691 -9.291 123 H ARG 18 H ARG 18 -1.427 -1.672 -6.552 124 HA ARG 18 HA ARG 18 -1.434 -3.591 -5.366 125 HB2 ARG 18 2HB ARG 18 -0.633 -4.774 -8.023 126 HB3 ARG 18 1HB ARG 18 -1.470 -5.600 -6.718 127 HG2 ARG 18 2HG ARG 18 -3.341 -3.979 -7.011 128 HG3 ARG 18 1HG ARG 18 -2.499 -3.375 -8.437 129 HD2 ARG 18 2HD ARG 18 -3.492 -6.153 -7.961 130 HD3 ARG 18 1HD ARG 18 -4.163 -4.942 -9.069 131 HE ARG 18 HE ARG 18 -1.627 -5.172 -9.909 132 HH11 ARG 18 1HH1 ARG 18 -4.110 -7.626 -9.362 133 HH12 ARG 18 2HH1 ARG 18 -3.497 -8.712 -10.514 134 HH21 ARG 18 1HH2 ARG 18 -0.764 -6.637 -11.442 135 HH22 ARG 18 2HH2 ARG 18 -1.516 -8.141 -11.744 136 H LYS 19 H LYS 19 1.238 -2.290 -5.417 137 HA LYS 19 HA LYS 19 3.030 -4.531 -5.468 138 HB2 LYS 19 2HB LYS 19 3.505 -1.587 -5.202 139 HB3 LYS 19 1HB LYS 19 4.776 -2.749 -4.837 140 HG2 LYS 19 2HG LYS 19 4.654 -3.654 -7.059 141 HG3 LYS 19 1HG LYS 19 3.284 -2.617 -7.433 142 HD2 LYS 19 2HD LYS 19 4.668 -0.652 -7.251 143 HD3 LYS 19 1HD LYS 19 6.034 -1.609 -6.672 144 HE2 LYS 19 2HE LYS 19 4.759 -1.878 -9.398 145 HE3 LYS 19 1HE LYS 19 6.219 -0.949 -9.067 146 HZ1 LYS 19 3HZ LYS 19 7.281 -3.012 -8.324 147 HZ2 LYS 19 1HZ LYS 19 6.771 -3.127 -9.918 148 HZ3 LYS 19 2HZ LYS 19 5.902 -3.893 -8.707 149 H CYS 20 H CYS 20 3.075 -5.760 -3.975 150 HA CYS 20 HA CYS 20 2.890 -4.830 -1.193 151 HB2 CYS 20 2HB CYS 20 2.145 -7.528 -2.332 152 HB3 CYS 20 1HB CYS 20 1.884 -6.967 -0.683 153 H ASN 21 H ASN 21 4.519 -5.429 0.107 154 HA ASN 21 HA ASN 21 6.814 -6.689 -1.103 155 HB2 ASN 21 2HB ASN 21 8.023 -6.193 0.975 156 HB3 ASN 21 1HB ASN 21 7.167 -4.786 0.398 157 HD21 ASN 21 1HD2 ASN 21 7.375 -3.905 2.473 158 HD22 ASN 21 2HD2 ASN 21 6.356 -4.363 3.772 159 H ARG 22 H ARG 22 8.032 -8.223 0.575 160 HA ARG 22 HA ARG 22 6.810 -10.690 0.488 161 HB2 ARG 22 2HB ARG 22 8.619 -11.567 1.851 162 HB3 ARG 22 1HB ARG 22 9.230 -10.444 0.660 163 HG2 ARG 22 2HG ARG 22 8.811 -9.752 3.576 164 HG3 ARG 22 1HG ARG 22 10.337 -10.315 2.905 165 HD2 ARG 22 2HD ARG 22 10.363 -8.345 1.410 166 HD3 ARG 22 1HD ARG 22 8.858 -7.793 2.145 167 HE ARG 22 HE ARG 22 10.952 -8.265 4.015 168 HH11 ARG 22 1HH1 ARG 22 9.772 -5.806 1.704 169 HH12 ARG 22 2HH1 ARG 22 10.305 -4.498 2.608 170 HH21 ARG 22 1HH2 ARG 22 11.769 -6.436 5.201 171 HH22 ARG 22 2HH2 ARG 22 11.483 -4.850 4.672 172 H PHE 23 H PHE 23 6.259 -8.287 2.896 173 HA PHE 23 HA PHE 23 5.107 -10.289 4.687 174 HB2 PHE 23 2HB PHE 23 5.715 -7.362 5.145 175 HB3 PHE 23 1HB PHE 23 4.934 -8.409 6.319 176 HD1 PHE 23 1HD PHE 23 6.322 -10.717 6.661 177 HD2 PHE 23 2HD PHE 23 7.938 -6.954 5.502 178 HE1 PHE 23 1HE PHE 23 8.509 -11.392 7.540 179 HE2 PHE 23 2HE PHE 23 10.133 -7.629 6.377 180 HZ PHE 23 HZ PHE 23 10.425 -9.847 7.395 181 H ASN 24 H ASN 24 4.169 -8.790 2.069 182 HA ASN 24 HA ASN 24 2.302 -8.179 1.109 183 HB2 ASN 24 2HB ASN 24 1.147 -9.715 3.393 184 HB3 ASN 24 1HB ASN 24 0.059 -8.774 2.374 185 HD21 ASN 24 1HD2 ASN 24 -0.228 -9.355 0.271 186 HD22 ASN 24 2HD2 ASN 24 0.286 -10.858 -0.403 187 H LYS 25 H LYS 25 3.657 -6.408 2.909 188 HA LYS 25 HA LYS 25 1.525 -4.571 3.541 189 HB2 LYS 25 2HB LYS 25 4.468 -4.525 3.992 190 HB3 LYS 25 1HB LYS 25 3.539 -3.035 4.042 191 HG2 LYS 25 2HG LYS 25 2.116 -4.034 5.793 192 HG3 LYS 25 1HG LYS 25 3.171 -5.455 5.785 193 HD2 LYS 25 2HD LYS 25 5.043 -4.150 6.374 194 HD3 LYS 25 1HD LYS 25 4.134 -2.652 6.216 195 HE2 LYS 25 2HE LYS 25 4.413 -3.265 8.574 196 HE3 LYS 25 1HE LYS 25 2.717 -3.283 8.103 197 HZ1 LYS 25 3HZ LYS 25 3.342 -5.178 9.473 198 HZ2 LYS 25 1HZ LYS 25 4.462 -5.669 8.327 199 HZ3 LYS 25 2HZ LYS 25 2.800 -5.686 7.988 200 H CYS 26 H CYS 26 1.148 -2.807 2.493 201 HA CYS 26 HA CYS 26 1.652 -2.629 -0.261 202 HB2 CYS 26 2HB CYS 26 -0.316 -1.757 1.042 203 HB3 CYS 26 1HB CYS 26 0.721 -0.447 1.595 204 H VAL 27 H VAL 27 3.362 -1.792 -1.258 205 HA VAL 27 HA VAL 27 5.043 0.040 0.255 206 HB VAL 27 HB VAL 27 6.983 -0.693 -1.186 207 HG11 VAL 27 1HG1 VAL 27 5.732 -2.811 0.552 208 HG12 VAL 27 2HG1 VAL 27 6.726 -1.463 1.103 209 HG13 VAL 27 3HG1 VAL 27 7.433 -2.718 0.087 210 HG21 VAL 27 3HG2 VAL 27 5.792 -1.731 -3.030 211 HG22 VAL 27 1HG2 VAL 27 5.089 -2.923 -1.932 212 HG23 VAL 27 2HG2 VAL 27 6.817 -2.932 -2.235 213 H LEU 28 H LEU 28 6.556 1.203 -1.425 214 HA LEU 28 HA LEU 28 4.735 2.957 -2.724 215 HB2 LEU 28 2HB LEU 28 7.757 2.977 -2.614 216 HB3 LEU 28 1HB LEU 28 6.790 4.227 -3.357 217 HG LEU 28 HG LEU 28 7.468 5.069 -1.288 218 HD11 LEU 28 1HD1 LEU 28 4.637 4.143 -0.949 219 HD12 LEU 28 2HD1 LEU 28 5.188 5.584 -1.800 220 HD13 LEU 28 3HD1 LEU 28 5.413 5.450 -0.056 221 HD21 LEU 28 3HD2 LEU 28 7.121 3.948 0.880 222 HD22 LEU 28 1HD2 LEU 28 8.173 3.012 -0.181 223 HD23 LEU 28 2HD2 LEU 28 6.490 2.534 0.039 224 HA PRO 29 HA PRO 29 4.918 1.277 -6.784 225 HB2 PRO 29 2HB PRO 29 4.350 3.452 -8.252 226 HB3 PRO 29 1HB PRO 29 3.129 2.647 -7.256 227 HG2 PRO 29 2HG PRO 29 4.729 5.105 -6.682 228 HG3 PRO 29 1HG PRO 29 3.008 4.800 -6.389 229 HD2 PRO 29 2HD PRO 29 4.869 4.614 -4.424 230 HD3 PRO 29 1HD PRO 29 3.414 3.595 -4.480 231 H GLU 30 H GLU 30 5.916 1.699 -8.932 232 HA GLU 30 HA GLU 30 8.623 2.733 -8.548 233 HB2 GLU 30 2HB GLU 30 8.400 0.369 -9.155 234 HB3 GLU 30 1HB GLU 30 7.500 0.818 -10.590 235 HG2 GLU 30 2HG GLU 30 9.465 1.930 -11.489 236 HG3 GLU 30 1HG GLU 30 10.373 1.516 -10.035 237 H THR 31 H THR 31 5.684 3.107 -10.334 238 HA THR 31 HA THR 31 6.878 4.799 -12.328 239 HB THR 31 HB THR 31 3.916 4.445 -11.850 240 HG1 THR 31 1HG THR 31 5.773 2.659 -13.102 241 HG21 THR 31 3HG2 THR 31 4.695 6.057 -13.575 242 HG22 THR 31 1HG2 THR 31 3.815 4.700 -14.281 243 HG23 THR 31 2HG2 THR 31 5.573 4.749 -14.360 244 H GLY 32 H GLY 32 4.618 5.130 -9.634 245 HA2 GLY 32 2HA GLY 32 4.830 8.040 -9.733 246 HA3 GLY 32 1HA GLY 32 3.724 7.113 -8.729 247 H GLY 33 H GLY 33 4.744 8.967 -7.323 248 HA2 GLY 33 2HA GLY 33 7.278 8.089 -6.141 249 HA3 GLY 33 1HA GLY 33 6.504 9.643 -5.876 250 H GLY 34 H GLY 34 4.302 9.469 -4.720 251 HA2 GLY 34 2HA GLY 34 4.727 7.816 -2.375 252 HA3 GLY 34 1HA GLY 34 3.609 9.168 -2.521 Start of MODEL 15 1 H1 CYS 1 H CYS 1 0.374 8.012 -1.586 2 HA CYS 1 HA CYS 1 -1.539 6.454 -3.014 3 HB2 CYS 1 2HB CYS 1 0.666 5.743 -4.030 4 HB3 CYS 1 1HB CYS 1 1.157 5.191 -2.434 5 H ARG 2 H ARG 2 -1.584 4.214 -1.597 6 HA ARG 2 HA ARG 2 -2.400 4.816 1.029 7 HB2 ARG 2 2HB ARG 2 -1.648 2.255 -0.344 8 HB3 ARG 2 1HB ARG 2 -1.979 2.258 1.373 9 HG2 ARG 2 2HG ARG 2 -3.898 1.527 0.063 10 HG3 ARG 2 1HG ARG 2 -4.258 2.990 0.962 11 HD2 ARG 2 2HD ARG 2 -4.152 4.302 -1.045 12 HD3 ARG 2 1HD ARG 2 -3.519 2.932 -1.968 13 HE ARG 2 HE ARG 2 -5.814 1.965 -0.988 14 HH11 ARG 2 1HH1 ARG 2 -5.234 4.965 -2.781 15 HH12 ARG 2 2HH1 ARG 2 -6.744 4.927 -3.572 16 HH21 ARG 2 1HH2 ARG 2 -7.795 1.886 -2.122 17 HH22 ARG 2 2HH2 ARG 2 -8.237 3.122 -3.221 18 H ILE 3 H ILE 3 -1.415 4.020 3.095 19 HA ILE 3 HA ILE 3 1.339 4.777 3.184 20 HB ILE 3 HB ILE 3 1.228 4.424 5.628 21 HG12 ILE 3 2HG1 ILE 3 -1.636 3.534 5.163 22 HG13 ILE 3 1HG1 ILE 3 -0.302 2.487 5.637 23 HG21 ILE 3 1HG2 ILE 3 0.561 6.567 4.788 24 HG22 ILE 3 2HG2 ILE 3 -0.471 6.139 6.153 25 HG23 ILE 3 3HG2 ILE 3 -1.080 5.990 4.505 26 HD11 ILE 3 3HD1 ILE 3 -1.719 3.040 7.532 27 HD12 ILE 3 1HD1 ILE 3 -1.422 4.758 7.265 28 HD13 ILE 3 2HD1 ILE 3 -0.098 3.698 7.744 29 HA HYP 4 HA HYP 4 3.195 0.827 2.677 30 HB2 HYP 4 2HB HYP 4 5.253 1.461 4.670 31 HB3 HYP 4 1HB HYP 4 5.407 1.232 2.925 32 HG HYP 4 HG HYP 4 5.698 3.646 3.951 33 HD22 HYP 4 2HD1 HYP 4 3.616 3.792 5.152 34 HD23 HYP 4 1HD1 HYP 4 3.220 4.588 3.613 35 HD1 HYP 4 2HD HYP 4 4.202 4.239 2.027 36 H ASN 5 H ASN 5 1.477 1.220 5.325 37 HA ASN 5 HA ASN 5 2.522 -1.242 6.560 38 HB2 ASN 5 2HB ASN 5 1.150 1.069 7.941 39 HB3 ASN 5 1HB ASN 5 1.342 -0.504 8.692 40 HD21 ASN 5 1HD2 ASN 5 2.571 0.360 10.330 41 HD22 ASN 5 2HD2 ASN 5 4.200 0.878 10.112 42 H GLN 6 H GLN 6 0.141 -0.239 4.655 43 HA GLN 6 HA GLN 6 -2.036 -1.578 5.958 44 HB2 GLN 6 2HB GLN 6 -1.770 -0.549 3.134 45 HB3 GLN 6 1HB GLN 6 -3.248 -1.176 3.845 46 HG2 GLN 6 2HG GLN 6 -1.737 1.259 4.736 47 HG3 GLN 6 1HG GLN 6 -3.252 1.239 3.838 48 HE21 GLN 6 1HE2 GLN 6 -5.128 0.605 4.890 49 HE22 GLN 6 2HE2 GLN 6 -5.255 0.588 6.607 50 H LYS 7 H LYS 7 -2.915 -3.590 5.340 51 HA LYS 7 HA LYS 7 -1.017 -5.200 3.921 52 HB2 LYS 7 2HB LYS 7 -2.565 -7.141 4.544 53 HB3 LYS 7 1HB LYS 7 -1.590 -6.418 5.802 54 HG2 LYS 7 2HG LYS 7 -3.743 -6.993 6.692 55 HG3 LYS 7 1HG LYS 7 -3.658 -5.247 6.607 56 HD2 LYS 7 2HD LYS 7 -4.900 -6.678 4.309 57 HD3 LYS 7 1HD LYS 7 -5.801 -6.657 5.825 58 HE2 LYS 7 2HE LYS 7 -5.699 -4.210 5.834 59 HE3 LYS 7 1HE LYS 7 -4.754 -4.261 4.347 60 HZ1 LYS 7 3HZ LYS 7 -7.080 -3.777 3.953 61 HZ2 LYS 7 1HZ LYS 7 -7.542 -5.260 4.608 62 HZ3 LYS 7 2HZ LYS 7 -6.610 -5.194 3.195 63 H CYS 8 H CYS 8 -1.405 -6.517 2.207 64 HA CYS 8 HA CYS 8 -3.874 -6.178 0.756 65 HB2 CYS 8 2HB CYS 8 -2.477 -5.794 -1.342 66 HB3 CYS 8 1HB CYS 8 -2.585 -4.432 -0.232 67 H PHE 9 H PHE 9 -4.315 -7.941 -0.528 68 HA PHE 9 HA PHE 9 -2.482 -10.205 -0.185 69 HB2 PHE 9 2HB PHE 9 -5.523 -10.262 -0.076 70 HB3 PHE 9 1HB PHE 9 -4.487 -11.673 -0.042 71 HD1 PHE 9 2HD PHE 9 -3.159 -12.216 1.919 72 HD2 PHE 9 1HD PHE 9 -5.748 -8.822 1.916 73 HE1 PHE 9 2HE PHE 9 -2.993 -12.082 4.363 74 HE2 PHE 9 1HE PHE 9 -5.586 -8.703 4.354 75 HZ PHE 9 HZ PHE 9 -4.207 -10.323 5.585 76 H GLN 10 H GLN 10 -3.188 -11.996 -1.873 77 HA GLN 10 HA GLN 10 -2.428 -11.028 -4.374 78 HB2 GLN 10 2HB GLN 10 -3.965 -13.563 -3.838 79 HB3 GLN 10 1HB GLN 10 -3.122 -13.165 -5.309 80 HG2 GLN 10 2HG GLN 10 -1.000 -13.172 -4.208 81 HG3 GLN 10 1HG GLN 10 -1.769 -13.434 -2.643 82 HE21 GLN 10 1HE2 GLN 10 -2.660 -15.408 -2.200 83 HE22 GLN 10 2HE2 GLN 10 -2.275 -16.832 -3.095 84 H HIS 11 H HIS 11 -5.660 -11.712 -3.211 85 HA HIS 11 HA HIS 11 -6.674 -10.666 -5.749 86 HB2 HIS 11 2HB HIS 11 -8.120 -12.338 -3.680 87 HB3 HIS 11 1HB HIS 11 -8.821 -11.746 -5.183 88 HD1 HIS 11 1HD HIS 11 -7.251 -12.601 -7.399 89 HD2 HIS 11 2HD HIS 11 -7.183 -14.841 -3.902 90 HE1 HIS 11 1HE HIS 11 -6.425 -14.892 -8.064 91 H LEU 12 H LEU 12 -5.851 -9.489 -2.960 92 HA LEU 12 HA LEU 12 -8.076 -7.591 -2.854 93 HB2 LEU 12 2HB LEU 12 -6.489 -8.594 -0.484 94 HB3 LEU 12 1HB LEU 12 -7.696 -7.338 -0.452 95 HG LEU 12 HG LEU 12 -8.291 -10.212 -1.141 96 HD11 LEU 12 1HD1 LEU 12 -9.317 -10.292 1.076 97 HD12 LEU 12 2HD1 LEU 12 -8.735 -8.654 1.394 98 HD13 LEU 12 3HD1 LEU 12 -7.584 -9.973 1.172 99 HD21 LEU 12 3HD2 LEU 12 -10.617 -9.495 -0.822 100 HD22 LEU 12 1HD2 LEU 12 -9.837 -8.623 -2.146 101 HD23 LEU 12 2HD2 LEU 12 -10.057 -7.841 -0.579 102 H ASP 13 H ASP 13 -6.755 -6.541 -4.357 103 HA ASP 13 HA ASP 13 -4.296 -5.361 -3.306 104 HB2 ASP 13 2HB ASP 13 -5.394 -5.519 -6.110 105 HB3 ASP 13 1HB ASP 13 -4.028 -4.510 -5.682 106 H ASP 14 H ASP 14 -4.598 -3.522 -2.306 107 HA ASP 14 HA ASP 14 -6.558 -1.643 -3.447 108 HB2 ASP 14 2HB ASP 14 -7.132 -2.306 -1.135 109 HB3 ASP 14 1HB ASP 14 -5.554 -1.768 -0.581 110 H CYS 15 H CYS 15 -3.303 -2.243 -3.128 111 HA CYS 15 HA CYS 15 -2.338 0.411 -2.800 112 HB2 CYS 15 2HB CYS 15 -0.958 -1.969 -4.035 113 HB3 CYS 15 1HB CYS 15 -0.197 -0.507 -3.424 114 H CYS 16 H CYS 16 -1.751 1.889 -4.312 115 HA CYS 16 HA CYS 16 -3.212 2.174 -6.550 116 HB2 CYS 16 2HB CYS 16 -0.481 3.358 -6.222 117 HB3 CYS 16 1HB CYS 16 -1.904 4.077 -6.980 118 H SER 17 H SER 17 0.154 1.037 -6.280 119 HA SER 17 HA SER 17 0.205 0.389 -9.132 120 HB2 SER 17 2HB SER 17 2.026 1.808 -8.136 121 HB3 SER 17 1HB SER 17 2.470 0.455 -7.105 122 HG SER 17 HG SER 17 2.845 0.884 -9.807 123 H ARG 18 H ARG 18 -1.086 -1.098 -6.733 124 HA ARG 18 HA ARG 18 -1.339 -3.117 -5.806 125 HB2 ARG 18 2HB ARG 18 -0.429 -3.953 -8.532 126 HB3 ARG 18 1HB ARG 18 -1.204 -5.024 -7.372 127 HG2 ARG 18 2HG ARG 18 -3.172 -3.538 -7.379 128 HG3 ARG 18 1HG ARG 18 -2.394 -2.571 -8.633 129 HD2 ARG 18 2HD ARG 18 -3.910 -4.092 -9.639 130 HD3 ARG 18 1HD ARG 18 -2.235 -4.553 -10.014 131 HE ARG 18 HE ARG 18 -3.227 -5.906 -7.723 132 HH11 ARG 18 1HH1 ARG 18 -3.162 -6.137 -11.267 133 HH12 ARG 18 2HH1 ARG 18 -3.623 -7.777 -11.274 134 HH21 ARG 18 1HH2 ARG 18 -3.832 -8.108 -7.769 135 HH22 ARG 18 2HH2 ARG 18 -3.968 -8.937 -9.270 136 H LYS 19 H LYS 19 1.231 -1.977 -5.288 137 HA LYS 19 HA LYS 19 3.168 -4.102 -5.635 138 HB2 LYS 19 2HB LYS 19 3.470 -1.554 -6.140 139 HB3 LYS 19 1HB LYS 19 3.695 -1.421 -4.411 140 HG2 LYS 19 2HG LYS 19 5.604 -2.918 -4.505 141 HG3 LYS 19 1HG LYS 19 5.345 -3.153 -6.234 142 HD2 LYS 19 2HD LYS 19 5.634 -0.689 -6.538 143 HD3 LYS 19 1HD LYS 19 6.096 -0.591 -4.841 144 HE2 LYS 19 2HE LYS 19 7.490 -2.255 -6.933 145 HE3 LYS 19 1HE LYS 19 8.031 -0.679 -6.370 146 HZ1 LYS 19 3HZ LYS 19 7.832 -3.150 -4.717 147 HZ2 LYS 19 1HZ LYS 19 8.323 -1.628 -4.149 148 HZ3 LYS 19 2HZ LYS 19 9.227 -2.433 -5.301 149 H CYS 20 H CYS 20 3.285 -5.534 -4.065 150 HA CYS 20 HA CYS 20 2.872 -4.720 -1.281 151 HB2 CYS 20 2HB CYS 20 2.056 -7.317 -2.612 152 HB3 CYS 20 1HB CYS 20 1.913 -6.964 -0.896 153 H ASN 21 H ASN 21 4.404 -5.441 0.089 154 HA ASN 21 HA ASN 21 6.757 -6.619 -1.130 155 HB2 ASN 21 2HB ASN 21 7.943 -6.124 0.973 156 HB3 ASN 21 1HB ASN 21 7.118 -4.709 0.355 157 HD21 ASN 21 1HD2 ASN 21 7.262 -3.791 2.400 158 HD22 ASN 21 2HD2 ASN 21 6.237 -4.253 3.697 159 H ARG 22 H ARG 22 7.971 -8.007 0.828 160 HA ARG 22 HA ARG 22 6.841 -10.572 0.529 161 HB2 ARG 22 2HB ARG 22 8.706 -11.398 1.767 162 HB3 ARG 22 1HB ARG 22 9.262 -10.105 0.722 163 HG2 ARG 22 2HG ARG 22 9.227 -8.569 2.647 164 HG3 ARG 22 1HG ARG 22 8.751 -9.916 3.678 165 HD2 ARG 22 2HD ARG 22 11.265 -9.722 2.052 166 HD3 ARG 22 1HD ARG 22 11.155 -9.509 3.802 167 HE ARG 22 HE ARG 22 10.135 -11.998 3.321 168 HH11 ARG 22 1HH1 ARG 22 13.196 -10.383 2.666 169 HH12 ARG 22 2HH1 ARG 22 14.113 -11.819 2.626 170 HH21 ARG 22 1HH2 ARG 22 11.409 -13.994 3.271 171 HH22 ARG 22 2HH2 ARG 22 13.085 -13.898 2.956 172 H PHE 23 H PHE 23 6.060 -8.195 2.779 173 HA PHE 23 HA PHE 23 5.134 -10.189 4.713 174 HB2 PHE 23 2HB PHE 23 5.514 -7.205 5.022 175 HB3 PHE 23 1HB PHE 23 4.889 -8.275 6.271 176 HD1 PHE 23 2HD PHE 23 6.493 -10.361 6.731 177 HD2 PHE 23 1HD PHE 23 7.704 -6.611 5.131 178 HE1 PHE 23 2HE PHE 23 8.769 -10.788 7.487 179 HE2 PHE 23 1HE PHE 23 10.002 -7.028 5.887 180 HZ PHE 23 HZ PHE 23 10.545 -9.114 7.073 181 H ASN 24 H ASN 24 4.052 -8.958 2.021 182 HA ASN 24 HA ASN 24 2.107 -8.424 1.068 183 HB2 ASN 24 2HB ASN 24 1.074 -9.777 3.540 184 HB3 ASN 24 1HB ASN 24 -0.053 -8.962 2.466 185 HD21 ASN 24 1HD2 ASN 24 -1.072 -10.741 1.804 186 HD22 ASN 24 2HD2 ASN 24 -0.381 -11.978 0.818 187 H LYS 25 H LYS 25 3.506 -6.536 2.744 188 HA LYS 25 HA LYS 25 1.322 -4.805 3.558 189 HB2 LYS 25 2HB LYS 25 4.305 -4.364 3.807 190 HB3 LYS 25 1HB LYS 25 3.041 -3.375 4.523 191 HG2 LYS 25 2HG LYS 25 3.651 -6.242 5.205 192 HG3 LYS 25 1HG LYS 25 4.051 -4.825 6.180 193 HD2 LYS 25 2HD LYS 25 1.699 -4.357 6.518 194 HD3 LYS 25 1HD LYS 25 1.250 -5.663 5.422 195 HE2 LYS 25 2HE LYS 25 1.009 -6.359 7.739 196 HE3 LYS 25 1HE LYS 25 2.258 -7.292 6.922 197 HZ1 LYS 25 3HZ LYS 25 2.703 -5.032 8.798 198 HZ2 LYS 25 1HZ LYS 25 3.929 -5.863 7.992 199 HZ3 LYS 25 2HZ LYS 25 2.980 -6.655 9.103 200 H CYS 26 H CYS 26 1.046 -2.879 2.690 201 HA CYS 26 HA CYS 26 1.385 -2.738 -0.125 202 HB2 CYS 26 2HB CYS 26 -0.556 -1.885 1.303 203 HB3 CYS 26 1HB CYS 26 0.490 -0.539 1.735 204 H VAL 27 H VAL 27 2.935 -1.570 -1.249 205 HA VAL 27 HA VAL 27 4.524 0.245 0.356 206 HB VAL 27 HB VAL 27 6.602 -0.405 -0.921 207 HG11 VAL 27 1HG1 VAL 27 6.249 -1.142 1.364 208 HG12 VAL 27 2HG1 VAL 27 7.091 -2.376 0.427 209 HG13 VAL 27 3HG1 VAL 27 5.374 -2.558 0.785 210 HG21 VAL 27 3HG2 VAL 27 5.568 -1.566 -2.795 211 HG22 VAL 27 1HG2 VAL 27 4.947 -2.803 -1.702 212 HG23 VAL 27 2HG2 VAL 27 6.684 -2.638 -1.941 213 H LEU 28 H LEU 28 5.087 2.059 -0.483 214 HA LEU 28 HA LEU 28 3.771 3.004 -2.827 215 HB2 LEU 28 2HB LEU 28 4.161 4.467 -0.913 216 HB3 LEU 28 1HB LEU 28 5.883 4.221 -1.015 217 HG LEU 28 HG LEU 28 5.720 5.362 -3.319 218 HD11 LEU 28 1HD1 LEU 28 3.278 5.232 -3.549 219 HD12 LEU 28 2HD1 LEU 28 3.885 6.879 -3.651 220 HD13 LEU 28 3HD1 LEU 28 3.118 6.317 -2.170 221 HD21 LEU 28 3HD2 LEU 28 5.172 6.930 -0.811 222 HD22 LEU 28 1HD2 LEU 28 5.815 7.593 -2.313 223 HD23 LEU 28 2HD2 LEU 28 6.754 6.413 -1.398 224 HA PRO 29 HA PRO 29 6.970 1.494 -5.601 225 HB2 PRO 29 2HB PRO 29 6.398 3.222 -7.684 226 HB3 PRO 29 1HB PRO 29 5.564 1.691 -7.391 227 HG2 PRO 29 2HG PRO 29 4.746 4.468 -6.653 228 HG3 PRO 29 1HG PRO 29 3.755 3.139 -7.284 229 HD2 PRO 29 2HD PRO 29 3.725 3.783 -4.709 230 HD3 PRO 29 1HD PRO 29 3.635 2.088 -5.216 231 H GLU 30 H GLU 30 8.857 2.336 -6.725 232 HA GLU 30 HA GLU 30 10.178 4.227 -5.081 233 HB2 GLU 30 2HB GLU 30 11.076 2.874 -7.617 234 HB3 GLU 30 1HB GLU 30 12.108 3.807 -6.542 235 HG2 GLU 30 2HG GLU 30 10.635 1.285 -5.807 236 HG3 GLU 30 1HG GLU 30 12.357 1.410 -6.162 237 H THR 31 H THR 31 8.190 4.614 -7.717 238 HA THR 31 HA THR 31 9.336 6.839 -8.992 239 HB THR 31 HB THR 31 6.952 7.134 -9.771 240 HG1 THR 31 1HG THR 31 5.899 6.281 -8.070 241 HG21 THR 31 3HG2 THR 31 8.155 4.368 -10.047 242 HG22 THR 31 1HG2 THR 31 8.556 5.761 -11.049 243 HG23 THR 31 2HG2 THR 31 6.936 5.065 -11.115 244 H GLY 32 H GLY 32 7.454 6.352 -6.087 245 HA2 GLY 32 2HA GLY 32 7.170 7.896 -4.369 246 HA3 GLY 32 1HA GLY 32 7.600 9.191 -5.489 247 H GLY 33 H GLY 33 5.767 10.398 -4.882 248 HA2 GLY 33 2HA GLY 33 3.725 11.177 -5.728 249 HA3 GLY 33 1HA GLY 33 3.369 9.554 -6.306 250 H GLY 34 H GLY 34 1.255 10.212 -5.276 251 HA2 GLY 34 2HA GLY 34 1.315 9.736 -2.397 252 HA3 GLY 34 1HA GLY 34 0.011 10.532 -3.275 Start of MODEL 16 1 H1 CYS 1 H CYS 1 -2.219 9.006 -2.474 2 HA CYS 1 HA CYS 1 -3.481 6.605 -3.448 3 HB2 CYS 1 2HB CYS 1 -0.517 7.111 -3.471 4 HB3 CYS 1 1HB CYS 1 -1.175 5.478 -3.393 5 H ARG 2 H ARG 2 -3.091 4.779 -2.083 6 HA ARG 2 HA ARG 2 -3.721 5.305 0.593 7 HB2 ARG 2 2HB ARG 2 -4.293 3.331 -0.820 8 HB3 ARG 2 1HB ARG 2 -2.644 2.781 -0.626 9 HG2 ARG 2 2HG ARG 2 -4.076 1.572 0.860 10 HG3 ARG 2 1HG ARG 2 -3.030 2.633 1.808 11 HD2 ARG 2 2HD ARG 2 -4.777 4.131 2.253 12 HD3 ARG 2 1HD ARG 2 -5.798 3.460 0.981 13 HE ARG 2 HE ARG 2 -5.605 1.365 2.444 14 HH11 ARG 2 1HH1 ARG 2 -5.888 4.665 3.754 15 HH12 ARG 2 2HH1 ARG 2 -6.875 4.202 5.063 16 HH21 ARG 2 1HH2 ARG 2 -6.991 0.779 4.265 17 HH22 ARG 2 2HH2 ARG 2 -7.488 1.983 5.371 18 H ILE 3 H ILE 3 -2.529 4.925 2.477 19 HA ILE 3 HA ILE 3 0.179 5.577 2.488 20 HB ILE 3 HB ILE 3 0.130 4.843 4.883 21 HG12 ILE 3 2HG1 ILE 3 -2.776 4.178 4.292 22 HG13 ILE 3 1HG1 ILE 3 -1.507 3.007 4.600 23 HG21 ILE 3 1HG2 ILE 3 -2.088 6.676 4.005 24 HG22 ILE 3 2HG2 ILE 3 -0.407 7.117 4.287 25 HG23 ILE 3 3HG2 ILE 3 -1.418 6.591 5.634 26 HD11 ILE 3 3HD1 ILE 3 -1.265 3.885 6.871 27 HD12 ILE 3 1HD1 ILE 3 -2.904 3.320 6.545 28 HD13 ILE 3 2HD1 ILE 3 -2.554 5.047 6.542 29 HA HYP 4 HA HYP 4 1.949 1.459 2.000 30 HB2 HYP 4 2HB HYP 4 4.267 2.316 3.577 31 HB3 HYP 4 1HB HYP 4 4.179 2.006 1.838 32 HG HYP 4 HG HYP 4 4.547 4.511 2.687 33 HD22 HYP 4 2HD1 HYP 4 2.638 4.566 4.177 34 HD23 HYP 4 1HD1 HYP 4 2.070 5.376 2.691 35 HD1 HYP 4 2HD HYP 4 2.455 4.061 0.958 36 H ASN 5 H ASN 5 3.045 -0.243 3.456 37 HA ASN 5 HA ASN 5 3.064 -1.604 5.223 38 HB2 ASN 5 2HB ASN 5 2.477 0.904 6.821 39 HB3 ASN 5 1HB ASN 5 2.590 -0.672 7.586 40 HD21 ASN 5 1HD2 ASN 5 4.360 -0.009 8.812 41 HD22 ASN 5 2HD2 ASN 5 5.926 0.179 8.144 42 H GLN 6 H GLN 6 0.532 -0.540 3.821 43 HA GLN 6 HA GLN 6 -1.620 -1.488 5.429 44 HB2 GLN 6 2HB GLN 6 -1.291 -0.759 2.554 45 HB3 GLN 6 1HB GLN 6 -2.701 -1.684 3.042 46 HG2 GLN 6 2HG GLN 6 -1.884 0.963 4.188 47 HG3 GLN 6 1HG GLN 6 -3.133 0.714 2.957 48 HE21 GLN 6 1HE2 GLN 6 -4.981 -0.444 3.507 49 HE22 GLN 6 2HE2 GLN 6 -5.516 -0.574 5.152 50 H LYS 7 H LYS 7 -2.890 -3.380 4.970 51 HA LYS 7 HA LYS 7 -1.203 -5.636 4.293 52 HB2 LYS 7 2HB LYS 7 -3.992 -5.466 5.418 53 HB3 LYS 7 1HB LYS 7 -3.155 -6.973 5.093 54 HG2 LYS 7 2HG LYS 7 -2.222 -4.842 7.007 55 HG3 LYS 7 1HG LYS 7 -3.070 -6.327 7.455 56 HD2 LYS 7 2HD LYS 7 -0.398 -6.248 6.027 57 HD3 LYS 7 1HD LYS 7 -0.599 -6.433 7.764 58 HE2 LYS 7 2HE LYS 7 -1.761 -8.308 5.704 59 HE3 LYS 7 1HE LYS 7 -0.269 -8.590 6.585 60 HZ1 LYS 7 3HZ LYS 7 -2.954 -8.277 7.819 61 HZ2 LYS 7 1HZ LYS 7 -1.515 -8.527 8.646 62 HZ3 LYS 7 2HZ LYS 7 -2.119 -9.717 7.628 63 H CYS 8 H CYS 8 -1.109 -6.248 2.320 64 HA CYS 8 HA CYS 8 -3.542 -6.141 0.744 65 HB2 CYS 8 2HB CYS 8 -2.241 -5.385 -1.223 66 HB3 CYS 8 1HB CYS 8 -2.308 -4.188 0.063 67 H PHE 9 H PHE 9 -3.695 -7.627 -0.822 68 HA PHE 9 HA PHE 9 -1.782 -9.835 -0.744 69 HB2 PHE 9 2HB PHE 9 -4.822 -10.029 -0.665 70 HB3 PHE 9 1HB PHE 9 -3.739 -11.392 -0.854 71 HD1 PHE 9 2HD PHE 9 -5.030 -8.890 1.526 72 HD2 PHE 9 1HD PHE 9 -2.473 -12.260 1.011 73 HE1 PHE 9 2HE PHE 9 -4.868 -9.135 3.956 74 HE2 PHE 9 1HE PHE 9 -2.313 -12.505 3.450 75 HZ PHE 9 HZ PHE 9 -3.503 -10.945 4.927 76 H GLN 10 H GLN 10 -2.801 -11.365 -2.737 77 HA GLN 10 HA GLN 10 -2.209 -9.819 -5.042 78 HB2 GLN 10 2HB GLN 10 -3.543 -12.527 -4.890 79 HB3 GLN 10 1HB GLN 10 -2.868 -11.798 -6.339 80 HG2 GLN 10 2HG GLN 10 -0.653 -11.852 -5.346 81 HG3 GLN 10 1HG GLN 10 -1.315 -12.567 -3.879 82 HE21 GLN 10 1HE2 GLN 10 -2.308 -13.362 -7.148 83 HE22 GLN 10 2HE2 GLN 10 -1.702 -14.972 -7.128 84 H HIS 11 H HIS 11 -5.224 -11.203 -3.853 85 HA HIS 11 HA HIS 11 -6.747 -9.843 -5.905 86 HB2 HIS 11 2HB HIS 11 -7.685 -11.554 -3.584 87 HB3 HIS 11 1HB HIS 11 -8.709 -10.960 -4.885 88 HD1 HIS 11 1HD HIS 11 -6.470 -13.768 -3.987 89 HD2 HIS 11 2HD HIS 11 -8.086 -12.115 -7.449 90 HE1 HIS 11 1HE HIS 11 -6.181 -15.502 -5.778 91 H LEU 12 H LEU 12 -5.875 -9.395 -2.623 92 HA LEU 12 HA LEU 12 -7.817 -7.241 -2.360 93 HB2 LEU 12 2HB LEU 12 -6.109 -8.545 -0.232 94 HB3 LEU 12 1HB LEU 12 -7.080 -7.129 0.054 95 HG LEU 12 HG LEU 12 -9.115 -8.517 -0.514 96 HD11 LEU 12 1HD1 LEU 12 -8.044 -10.302 -1.756 97 HD12 LEU 12 2HD1 LEU 12 -8.937 -10.938 -0.374 98 HD13 LEU 12 3HD1 LEU 12 -7.177 -10.811 -0.306 99 HD21 LEU 12 3HD2 LEU 12 -9.175 -9.618 1.663 100 HD22 LEU 12 1HD2 LEU 12 -8.505 -7.991 1.771 101 HD23 LEU 12 2HD2 LEU 12 -7.433 -9.390 1.823 102 H ASP 13 H ASP 13 -6.688 -5.935 -3.848 103 HA ASP 13 HA ASP 13 -4.120 -4.952 -2.939 104 HB2 ASP 13 2HB ASP 13 -3.926 -3.842 -5.055 105 HB3 ASP 13 1HB ASP 13 -4.399 -5.505 -5.358 106 H ASP 14 H ASP 14 -3.916 -3.146 -1.885 107 HA ASP 14 HA ASP 14 -6.302 -1.444 -1.680 108 HB2 ASP 14 2HB ASP 14 -5.700 -2.792 0.369 109 HB3 ASP 14 1HB ASP 14 -4.229 -1.838 0.485 110 H CYS 15 H CYS 15 -3.440 -1.414 -3.140 111 HA CYS 15 HA CYS 15 -3.042 1.458 -2.637 112 HB2 CYS 15 2HB CYS 15 -0.831 -0.559 -3.001 113 HB3 CYS 15 1HB CYS 15 -0.630 1.172 -2.771 114 H CYS 16 H CYS 16 -2.321 2.682 -4.443 115 HA CYS 16 HA CYS 16 -3.318 2.152 -6.926 116 HB2 CYS 16 2HB CYS 16 -0.868 3.822 -6.372 117 HB3 CYS 16 1HB CYS 16 -1.905 3.943 -7.782 118 H SER 17 H SER 17 0.054 1.601 -5.874 119 HA SER 17 HA SER 17 0.706 0.639 -8.485 120 HB2 SER 17 2HB SER 17 2.409 0.699 -5.997 121 HB3 SER 17 1HB SER 17 2.978 0.473 -7.654 122 HG SER 17 HG SER 17 1.859 2.558 -8.033 123 H ARG 18 H ARG 18 -0.875 -0.753 -5.977 124 HA ARG 18 HA ARG 18 -1.257 -2.814 -5.141 125 HB2 ARG 18 2HB ARG 18 -0.609 -3.452 -8.008 126 HB3 ARG 18 1HB ARG 18 -1.386 -4.580 -6.901 127 HG2 ARG 18 2HG ARG 18 -3.257 -3.015 -6.636 128 HG3 ARG 18 1HG ARG 18 -2.458 -1.900 -7.731 129 HD2 ARG 18 2HD ARG 18 -2.674 -3.361 -9.543 130 HD3 ARG 18 1HD ARG 18 -3.175 -4.703 -8.507 131 HE ARG 18 HE ARG 18 -5.117 -3.141 -7.963 132 HH11 ARG 18 1HH1 ARG 18 -3.590 -3.319 -11.146 133 HH12 ARG 18 2HH1 ARG 18 -5.006 -3.026 -12.034 134 HH21 ARG 18 1HH2 ARG 18 -7.116 -2.769 -9.175 135 HH22 ARG 18 2HH2 ARG 18 -7.085 -2.713 -10.880 136 H LYS 19 H LYS 19 1.446 -1.935 -4.789 137 HA LYS 19 HA LYS 19 3.019 -4.337 -5.152 138 HB2 LYS 19 2HB LYS 19 4.946 -2.921 -4.501 139 HB3 LYS 19 1HB LYS 19 4.097 -2.345 -5.923 140 HG2 LYS 19 2HG LYS 19 2.823 -0.887 -4.405 141 HG3 LYS 19 1HG LYS 19 3.988 -1.254 -3.159 142 HD2 LYS 19 2HD LYS 19 4.678 -0.028 -5.851 143 HD3 LYS 19 1HD LYS 19 4.594 0.846 -4.325 144 HE2 LYS 19 2HE LYS 19 6.441 -0.461 -3.447 145 HE3 LYS 19 1HE LYS 19 6.520 -1.403 -4.942 146 HZ1 LYS 19 3HZ LYS 19 6.944 1.507 -4.668 147 HZ2 LYS 19 1HZ LYS 19 7.045 0.649 -6.104 148 HZ3 LYS 19 2HZ LYS 19 8.169 0.379 -4.868 149 H CYS 20 H CYS 20 3.439 -5.546 -3.709 150 HA CYS 20 HA CYS 20 3.049 -4.864 -0.874 151 HB2 CYS 20 2HB CYS 20 2.329 -7.487 -2.212 152 HB3 CYS 20 1HB CYS 20 2.092 -7.086 -0.513 153 H ASN 21 H ASN 21 4.622 -5.662 0.468 154 HA ASN 21 HA ASN 21 6.963 -6.747 -0.815 155 HB2 ASN 21 2HB ASN 21 8.099 -6.472 1.348 156 HB3 ASN 21 1HB ASN 21 7.252 -5.011 0.917 157 HD21 ASN 21 1HD2 ASN 21 7.288 -4.304 3.026 158 HD22 ASN 21 2HD2 ASN 21 6.301 -4.966 4.258 159 H ARG 22 H ARG 22 8.085 -8.520 0.907 160 HA ARG 22 HA ARG 22 6.715 -10.869 0.160 161 HB2 ARG 22 2HB ARG 22 8.468 -12.088 1.177 162 HB3 ARG 22 1HB ARG 22 9.181 -10.651 0.470 163 HG2 ARG 22 2HG ARG 22 9.237 -9.599 2.695 164 HG3 ARG 22 1HG ARG 22 8.546 -11.067 3.377 165 HD2 ARG 22 2HD ARG 22 11.142 -10.856 1.907 166 HD3 ARG 22 1HD ARG 22 10.965 -11.028 3.660 167 HE ARG 22 HE ARG 22 9.627 -13.140 2.463 168 HH11 ARG 22 1HH1 ARG 22 12.944 -11.990 2.783 169 HH12 ARG 22 2HH1 ARG 22 13.655 -13.513 2.542 170 HH21 ARG 22 1HH2 ARG 22 10.580 -15.237 2.087 171 HH22 ARG 22 2HH2 ARG 22 12.270 -15.418 2.108 172 H PHE 23 H PHE 23 6.113 -8.873 2.809 173 HA PHE 23 HA PHE 23 5.107 -11.097 4.420 174 HB2 PHE 23 2HB PHE 23 5.590 -8.220 5.200 175 HB3 PHE 23 1HB PHE 23 5.001 -9.485 6.270 176 HD1 PHE 23 2HD PHE 23 6.557 -11.645 6.293 177 HD2 PHE 23 1HD PHE 23 7.821 -7.712 5.281 178 HE1 PHE 23 2HE PHE 23 8.850 -12.251 6.846 179 HE2 PHE 23 1HE PHE 23 10.137 -8.316 5.837 180 HZ PHE 23 HZ PHE 23 10.663 -10.579 6.623 181 H ASN 24 H ASN 24 4.020 -9.209 2.055 182 HA ASN 24 HA ASN 24 2.019 -8.631 1.268 183 HB2 ASN 24 2HB ASN 24 0.955 -10.038 3.713 184 HB3 ASN 24 1HB ASN 24 -0.120 -9.160 2.632 185 HD21 ASN 24 1HD2 ASN 24 -0.370 -9.877 0.569 186 HD22 ASN 24 2HD2 ASN 24 0.004 -11.487 0.048 187 H LYS 25 H LYS 25 3.631 -6.977 3.077 188 HA LYS 25 HA LYS 25 1.573 -5.066 3.800 189 HB2 LYS 25 2HB LYS 25 4.512 -5.154 4.357 190 HB3 LYS 25 1HB LYS 25 3.548 -3.707 4.621 191 HG2 LYS 25 2HG LYS 25 2.118 -5.000 6.170 192 HG3 LYS 25 1HG LYS 25 3.204 -6.381 5.956 193 HD2 LYS 25 2HD LYS 25 5.042 -5.112 6.747 194 HD3 LYS 25 1HD LYS 25 4.048 -3.663 6.887 195 HE2 LYS 25 2HE LYS 25 4.361 -4.675 9.098 196 HE3 LYS 25 1HE LYS 25 2.676 -4.768 8.601 197 HZ1 LYS 25 3HZ LYS 25 3.030 -7.057 7.975 198 HZ2 LYS 25 1HZ LYS 25 3.405 -6.837 9.585 199 HZ3 LYS 25 2HZ LYS 25 4.640 -6.997 8.464 200 H CYS 26 H CYS 26 1.181 -3.397 2.621 201 HA CYS 26 HA CYS 26 2.062 -3.139 -0.023 202 HB2 CYS 26 2HB CYS 26 -0.096 -2.300 0.680 203 HB3 CYS 26 1HB CYS 26 0.676 -1.167 1.783 204 H VAL 27 H VAL 27 3.717 -2.073 -0.927 205 HA VAL 27 HA VAL 27 5.269 -0.481 0.916 206 HB VAL 27 HB VAL 27 7.162 -0.783 -0.929 207 HG11 VAL 27 1HG1 VAL 27 6.289 -2.987 0.947 208 HG12 VAL 27 2HG1 VAL 27 7.263 -1.582 1.383 209 HG13 VAL 27 3HG1 VAL 27 7.910 -2.796 0.279 210 HG21 VAL 27 3HG2 VAL 27 7.082 -2.964 -1.990 211 HG22 VAL 27 1HG2 VAL 27 5.702 -2.011 -2.531 212 HG23 VAL 27 2HG2 VAL 27 5.489 -3.265 -1.310 213 H LEU 28 H LEU 28 6.620 1.282 -0.358 214 HA LEU 28 HA LEU 28 4.595 3.169 -0.664 215 HB2 LEU 28 2HB LEU 28 7.521 3.476 -1.318 216 HB3 LEU 28 1HB LEU 28 6.377 4.787 -1.308 217 HG LEU 28 HG LEU 28 5.977 4.272 1.146 218 HD11 LEU 28 1HD1 LEU 28 6.903 2.050 1.288 219 HD12 LEU 28 2HD1 LEU 28 7.767 3.142 2.369 220 HD13 LEU 28 3HD1 LEU 28 8.497 2.657 0.839 221 HD21 LEU 28 3HD2 LEU 28 8.694 5.219 0.273 222 HD22 LEU 28 1HD2 LEU 28 7.975 5.495 1.861 223 HD23 LEU 28 2HD2 LEU 28 7.228 6.188 0.425 224 HA PRO 29 HA PRO 29 3.685 2.580 -4.998 225 HB2 PRO 29 2HB PRO 29 1.559 4.235 -5.055 226 HB3 PRO 29 1HB PRO 29 1.473 2.628 -4.328 227 HG2 PRO 29 2HG PRO 29 1.830 5.286 -3.006 228 HG3 PRO 29 1HG PRO 29 0.782 3.936 -2.532 229 HD2 PRO 29 2HD PRO 29 3.196 4.397 -1.371 230 HD3 PRO 29 1HD PRO 29 2.511 2.770 -1.556 231 H GLU 30 H GLU 30 3.561 3.896 -6.858 232 HA GLU 30 HA GLU 30 5.524 5.899 -7.033 233 HB2 GLU 30 2HB GLU 30 4.739 4.399 -8.887 234 HB3 GLU 30 1HB GLU 30 3.271 5.356 -8.979 235 HG2 GLU 30 2HG GLU 30 4.606 7.323 -9.576 236 HG3 GLU 30 1HG GLU 30 6.066 6.336 -9.512 237 H THR 31 H THR 31 2.088 5.996 -6.628 238 HA THR 31 HA THR 31 0.710 7.456 -5.715 239 HB THR 31 HB THR 31 3.029 9.379 -5.430 240 HG1 THR 31 1HG THR 31 3.270 7.351 -4.326 241 HG21 THR 31 3HG2 THR 31 0.824 10.465 -5.268 242 HG22 THR 31 1HG2 THR 31 1.600 10.413 -3.686 243 HG23 THR 31 2HG2 THR 31 0.315 9.272 -4.076 244 H GLY 32 H GLY 32 -0.692 7.932 -7.127 245 HA2 GLY 32 2HA GLY 32 -0.085 9.866 -9.258 246 HA3 GLY 32 1HA GLY 32 -1.458 8.756 -9.219 247 H GLY 33 H GLY 33 -0.066 11.371 -7.318 248 HA2 GLY 33 2HA GLY 33 -1.102 13.297 -6.545 249 HA3 GLY 33 1HA GLY 33 -2.634 12.704 -7.189 250 H GLY 34 H GLY 34 -3.474 10.752 -6.071 251 HA2 GLY 34 2HA GLY 34 -2.935 10.892 -3.188 252 HA3 GLY 34 1HA GLY 34 -4.572 10.812 -3.835 Start of MODEL 17 1 H1 CYS 1 H CYS 1 2.419 7.619 -1.395 2 HA CYS 1 HA CYS 1 -0.038 8.737 -2.427 3 HB2 CYS 1 2HB CYS 1 1.030 7.177 -4.180 4 HB3 CYS 1 1HB CYS 1 0.727 5.871 -3.041 5 H ARG 2 H ARG 2 -1.339 6.059 -1.836 6 HA ARG 2 HA ARG 2 -1.962 6.485 0.846 7 HB2 ARG 2 2HB ARG 2 -3.397 5.245 -0.781 8 HB3 ARG 2 1HB ARG 2 -2.266 3.911 -0.739 9 HG2 ARG 2 2HG ARG 2 -2.968 4.448 1.938 10 HG3 ARG 2 1HG ARG 2 -4.465 4.444 0.997 11 HD2 ARG 2 2HD ARG 2 -3.912 2.210 1.825 12 HD3 ARG 2 1HD ARG 2 -3.868 2.272 0.061 13 HE ARG 2 HE ARG 2 -1.363 2.757 1.406 14 HH11 ARG 2 1HH1 ARG 2 -3.413 0.229 0.139 15 HH12 ARG 2 2HH1 ARG 2 -2.151 -0.738 -0.457 16 HH21 ARG 2 1HH2 ARG 2 0.388 1.546 0.653 17 HH22 ARG 2 2HH2 ARG 2 0.151 0.048 -0.144 18 H ILE 3 H ILE 3 -1.168 5.698 2.716 19 HA ILE 3 HA ILE 3 1.472 5.296 3.000 20 HB ILE 3 HB ILE 3 1.058 4.476 5.336 21 HG12 ILE 3 2HG1 ILE 3 -1.856 4.719 4.513 22 HG13 ILE 3 1HG1 ILE 3 -1.024 3.213 4.876 23 HG21 ILE 3 1HG2 ILE 3 -0.481 6.894 4.398 24 HG22 ILE 3 2HG2 ILE 3 1.230 6.838 4.819 25 HG23 ILE 3 3HG2 ILE 3 0.005 6.575 6.062 26 HD11 ILE 3 3HD1 ILE 3 -2.412 3.935 6.735 27 HD12 ILE 3 1HD1 ILE 3 -1.532 5.462 6.813 28 HD13 ILE 3 2HD1 ILE 3 -0.706 3.949 7.184 29 HA HYP 4 HA HYP 4 2.303 1.030 1.892 30 HB2 HYP 4 2HB HYP 4 4.990 1.250 2.853 31 HB3 HYP 4 1HB HYP 4 4.431 1.498 1.202 32 HG HYP 4 HG HYP 4 5.513 3.470 2.718 33 HD22 HYP 4 2HD1 HYP 4 3.772 3.707 4.308 34 HD23 HYP 4 1HD1 HYP 4 3.218 4.792 3.010 35 HD1 HYP 4 2HD HYP 4 5.263 4.064 0.836 36 H ASN 5 H ASN 5 1.030 1.103 4.407 37 HA ASN 5 HA ASN 5 2.471 -1.125 5.689 38 HB2 ASN 5 2HB ASN 5 2.923 1.000 7.007 39 HB3 ASN 5 1HB ASN 5 1.199 1.101 7.330 40 HD21 ASN 5 1HD2 ASN 5 1.498 0.931 9.572 41 HD22 ASN 5 2HD2 ASN 5 1.981 -0.548 10.316 42 H GLN 6 H GLN 6 0.036 -0.462 4.016 43 HA GLN 6 HA GLN 6 -2.063 -1.550 5.698 44 HB2 GLN 6 2HB GLN 6 -2.143 -0.706 2.791 45 HB3 GLN 6 1HB GLN 6 -3.528 -1.147 3.780 46 HG2 GLN 6 2HG GLN 6 -1.753 1.262 4.149 47 HG3 GLN 6 1HG GLN 6 -3.404 1.250 3.546 48 HE21 GLN 6 1HE2 GLN 6 -5.097 0.936 4.986 49 HE22 GLN 6 2HE2 GLN 6 -4.887 1.068 6.688 50 H LYS 7 H LYS 7 -2.899 -3.565 5.381 51 HA LYS 7 HA LYS 7 -1.149 -5.515 4.257 52 HB2 LYS 7 2HB LYS 7 -3.851 -5.635 5.540 53 HB3 LYS 7 1HB LYS 7 -3.146 -7.060 4.812 54 HG2 LYS 7 2HG LYS 7 -1.910 -5.439 7.037 55 HG3 LYS 7 1HG LYS 7 -2.797 -6.948 7.255 56 HD2 LYS 7 2HD LYS 7 -0.197 -6.567 5.752 57 HD3 LYS 7 1HD LYS 7 -0.423 -7.378 7.298 58 HE2 LYS 7 2HE LYS 7 -1.600 -8.291 4.660 59 HE3 LYS 7 1HE LYS 7 -0.175 -8.972 5.427 60 HZ1 LYS 7 3HZ LYS 7 -2.922 -8.987 6.564 61 HZ2 LYS 7 1HZ LYS 7 -1.560 -9.695 7.274 62 HZ3 LYS 7 2HZ LYS 7 -2.168 -10.273 5.812 63 H CYS 8 H CYS 8 -1.354 -6.717 2.401 64 HA CYS 8 HA CYS 8 -3.637 -5.984 0.743 65 HB2 CYS 8 2HB CYS 8 -2.158 -6.453 -1.218 66 HB3 CYS 8 1HB CYS 8 -1.652 -5.059 -0.271 67 H PHE 9 H PHE 9 -4.190 -7.716 -0.825 68 HA PHE 9 HA PHE 9 -3.533 -10.392 0.127 69 HB2 PHE 9 2HB PHE 9 -6.323 -9.354 -0.524 70 HB3 PHE 9 1HB PHE 9 -5.948 -11.024 -0.271 71 HD1 PHE 9 2HD PHE 9 -5.937 -7.724 1.463 72 HD2 PHE 9 1HD PHE 9 -6.057 -11.957 1.869 73 HE1 PHE 9 2HE PHE 9 -6.462 -7.473 3.841 74 HE2 PHE 9 1HE PHE 9 -6.577 -11.706 4.259 75 HZ PHE 9 HZ PHE 9 -6.782 -9.455 5.242 76 H GLN 10 H GLN 10 -3.886 -11.941 -1.639 77 HA GLN 10 HA GLN 10 -2.948 -10.995 -4.112 78 HB2 GLN 10 2HB GLN 10 -3.334 -13.244 -4.969 79 HB3 GLN 10 1HB GLN 10 -2.680 -13.340 -3.339 80 HG2 GLN 10 2HG GLN 10 -4.842 -13.893 -2.466 81 HG3 GLN 10 1HG GLN 10 -5.588 -13.621 -4.035 82 HE21 GLN 10 1HE2 GLN 10 -6.369 -15.682 -4.214 83 HE22 GLN 10 2HE2 GLN 10 -5.327 -17.034 -4.465 84 H HIS 11 H HIS 11 -6.068 -11.321 -2.821 85 HA HIS 11 HA HIS 11 -7.352 -10.779 -5.394 86 HB2 HIS 11 2HB HIS 11 -9.410 -11.679 -4.312 87 HB3 HIS 11 1HB HIS 11 -8.108 -12.850 -4.432 88 HD1 HIS 11 1HD HIS 11 -7.355 -13.956 -2.254 89 HD2 HIS 11 2HD HIS 11 -9.843 -10.678 -1.666 90 HE1 HIS 11 1HE HIS 11 -7.930 -13.951 0.195 91 H LEU 12 H LEU 12 -6.123 -8.852 -3.213 92 HA LEU 12 HA LEU 12 -8.429 -7.126 -3.279 93 HB2 LEU 12 2HB LEU 12 -8.445 -8.283 -1.055 94 HB3 LEU 12 1HB LEU 12 -6.854 -7.586 -0.772 95 HG LEU 12 HG LEU 12 -7.768 -5.380 -0.991 96 HD11 LEU 12 1HD1 LEU 12 -10.226 -5.077 -0.791 97 HD12 LEU 12 2HD1 LEU 12 -10.411 -6.818 -1.048 98 HD13 LEU 12 3HD1 LEU 12 -9.728 -5.803 -2.321 99 HD21 LEU 12 3HD2 LEU 12 -8.925 -5.336 1.202 100 HD22 LEU 12 1HD2 LEU 12 -7.446 -6.296 1.215 101 HD23 LEU 12 2HD2 LEU 12 -9.017 -7.096 1.151 102 H ASP 13 H ASP 13 -7.573 -5.631 -4.538 103 HA ASP 13 HA ASP 13 -5.054 -4.452 -3.683 104 HB2 ASP 13 2HB ASP 13 -4.779 -5.039 -5.954 105 HB3 ASP 13 1HB ASP 13 -6.393 -4.461 -6.372 106 H ASP 14 H ASP 14 -5.219 -2.788 -2.603 107 HA ASP 14 HA ASP 14 -7.288 -0.780 -3.146 108 HB2 ASP 14 2HB ASP 14 -7.823 -2.194 -1.115 109 HB3 ASP 14 1HB ASP 14 -6.296 -1.694 -0.414 110 H CYS 15 H CYS 15 -4.596 -1.231 -4.051 111 HA CYS 15 HA CYS 15 -2.941 0.673 -2.554 112 HB2 CYS 15 2HB CYS 15 -2.280 -1.579 -4.411 113 HB3 CYS 15 1HB CYS 15 -1.102 -0.496 -3.681 114 H CYS 16 H CYS 16 -1.508 2.003 -3.841 115 HA CYS 16 HA CYS 16 -2.690 3.035 -6.240 116 HB2 CYS 16 2HB CYS 16 0.012 3.683 -5.080 117 HB3 CYS 16 1HB CYS 16 -1.011 4.707 -6.083 118 H SER 17 H SER 17 0.328 1.340 -5.329 119 HA SER 17 HA SER 17 1.187 1.143 -8.080 120 HB2 SER 17 2HB SER 17 2.539 0.154 -5.598 121 HB3 SER 17 1HB SER 17 3.270 0.688 -7.117 122 HG SER 17 HG SER 17 3.060 2.687 -6.559 123 H ARG 18 H ARG 18 -0.803 -0.654 -6.123 124 HA ARG 18 HA ARG 18 -1.413 -2.803 -5.790 125 HB2 ARG 18 2HB ARG 18 -0.404 -3.064 -8.618 126 HB3 ARG 18 1HB ARG 18 -1.523 -4.163 -7.818 127 HG2 ARG 18 2HG ARG 18 -3.113 -2.333 -7.549 128 HG3 ARG 18 1HG ARG 18 -2.001 -1.255 -8.382 129 HD2 ARG 18 2HD ARG 18 -3.291 -3.715 -9.515 130 HD3 ARG 18 1HD ARG 18 -3.771 -2.035 -9.807 131 HE ARG 18 HE ARG 18 -1.039 -2.695 -10.486 132 HH11 ARG 18 1HH1 ARG 18 -4.343 -2.271 -11.754 133 HH12 ARG 18 2HH1 ARG 18 -3.851 -2.188 -13.372 134 HH21 ARG 18 1HH2 ARG 18 -0.387 -2.545 -12.690 135 HH22 ARG 18 2HH2 ARG 18 -1.547 -2.328 -13.921 136 H LYS 19 H LYS 19 1.530 -2.248 -5.094 137 HA LYS 19 HA LYS 19 2.565 -4.939 -5.627 138 HB2 LYS 19 2HB LYS 19 3.858 -2.672 -6.189 139 HB3 LYS 19 1HB LYS 19 4.317 -2.837 -4.511 140 HG2 LYS 19 2HG LYS 19 5.066 -5.188 -4.992 141 HG3 LYS 19 1HG LYS 19 4.842 -4.835 -6.703 142 HD2 LYS 19 2HD LYS 19 7.108 -4.419 -6.380 143 HD3 LYS 19 1HD LYS 19 6.390 -2.815 -6.232 144 HE2 LYS 19 2HE LYS 19 7.967 -3.068 -4.462 145 HE3 LYS 19 1HE LYS 19 6.352 -3.131 -3.766 146 HZ1 LYS 19 3HZ LYS 19 6.520 -5.553 -3.591 147 HZ2 LYS 19 1HZ LYS 19 7.876 -4.870 -2.882 148 HZ3 LYS 19 2HZ LYS 19 7.984 -5.540 -4.397 149 H CYS 20 H CYS 20 3.212 -6.194 -4.032 150 HA CYS 20 HA CYS 20 2.759 -5.294 -1.300 151 HB2 CYS 20 2HB CYS 20 2.646 -8.048 -2.537 152 HB3 CYS 20 1HB CYS 20 2.488 -7.714 -0.816 153 H ASN 21 H ASN 21 4.309 -5.898 0.218 154 HA ASN 21 HA ASN 21 6.924 -6.474 -0.924 155 HB2 ASN 21 2HB ASN 21 7.861 -5.893 1.321 156 HB3 ASN 21 1HB ASN 21 6.910 -4.582 0.649 157 HD21 ASN 21 1HD2 ASN 21 6.844 -3.781 2.815 158 HD22 ASN 21 2HD2 ASN 21 5.714 -4.421 3.944 159 H ARG 22 H ARG 22 8.267 -7.859 0.809 160 HA ARG 22 HA ARG 22 7.276 -10.481 0.576 161 HB2 ARG 22 2HB ARG 22 9.287 -11.156 1.720 162 HB3 ARG 22 1HB ARG 22 9.659 -9.890 0.561 163 HG2 ARG 22 2HG ARG 22 9.574 -8.265 2.489 164 HG3 ARG 22 1HG ARG 22 9.484 -9.666 3.551 165 HD2 ARG 22 2HD ARG 22 11.681 -9.016 1.611 166 HD3 ARG 22 1HD ARG 22 11.763 -8.915 3.373 167 HE ARG 22 HE ARG 22 11.061 -11.512 2.724 168 HH11 ARG 22 1HH1 ARG 22 13.862 -9.390 2.415 169 HH12 ARG 22 2HH1 ARG 22 14.984 -10.645 2.207 170 HH21 ARG 22 1HH2 ARG 22 12.548 -13.238 2.464 171 HH22 ARG 22 2HH2 ARG 22 14.203 -12.914 2.238 172 H PHE 23 H PHE 23 6.421 -8.165 2.812 173 HA PHE 23 HA PHE 23 5.962 -10.069 4.971 174 HB2 PHE 23 2HB PHE 23 5.796 -7.050 4.945 175 HB3 PHE 23 1HB PHE 23 5.539 -8.069 6.356 176 HD1 PHE 23 2HD PHE 23 7.465 -9.605 7.028 177 HD2 PHE 23 1HD PHE 23 7.922 -6.266 4.446 178 HE1 PHE 23 2HE PHE 23 9.847 -9.589 7.499 179 HE2 PHE 23 1HE PHE 23 10.337 -6.232 4.912 180 HZ PHE 23 HZ PHE 23 11.313 -7.892 6.445 181 H ASN 24 H ASN 24 4.467 -9.094 2.276 182 HA ASN 24 HA ASN 24 2.372 -9.243 1.450 183 HB2 ASN 24 2HB ASN 24 2.183 -11.235 3.002 184 HB3 ASN 24 1HB ASN 24 1.492 -10.167 4.210 185 HD21 ASN 24 1HD2 ASN 24 -0.369 -11.346 4.276 186 HD22 ASN 24 2HD2 ASN 24 -1.573 -11.289 3.037 187 H LYS 25 H LYS 25 3.453 -6.938 2.996 188 HA LYS 25 HA LYS 25 0.981 -5.475 3.450 189 HB2 LYS 25 2HB LYS 25 3.843 -4.721 3.991 190 HB3 LYS 25 1HB LYS 25 2.460 -3.671 4.269 191 HG2 LYS 25 2HG LYS 25 1.569 -5.363 5.844 192 HG3 LYS 25 1HG LYS 25 3.072 -6.271 5.637 193 HD2 LYS 25 2HD LYS 25 4.316 -4.334 6.341 194 HD3 LYS 25 1HD LYS 25 2.813 -3.451 6.607 195 HE2 LYS 25 2HE LYS 25 2.123 -5.175 8.262 196 HE3 LYS 25 1HE LYS 25 3.694 -5.949 8.067 197 HZ1 LYS 25 3HZ LYS 25 3.516 -4.451 10.012 198 HZ2 LYS 25 1HZ LYS 25 3.319 -3.155 8.964 199 HZ3 LYS 25 2HZ LYS 25 4.770 -4.030 8.977 200 H CYS 26 H CYS 26 0.751 -3.471 2.344 201 HA CYS 26 HA CYS 26 1.641 -3.723 -0.412 202 HB2 CYS 26 2HB CYS 26 -0.745 -3.252 0.208 203 HB3 CYS 26 1HB CYS 26 -0.128 -1.728 0.881 204 H VAL 27 H VAL 27 3.204 -2.384 -1.280 205 HA VAL 27 HA VAL 27 3.857 -0.076 0.339 206 HB VAL 27 HB VAL 27 6.302 -0.399 -0.083 207 HG11 VAL 27 1HG1 VAL 27 4.943 -2.544 1.529 208 HG12 VAL 27 2HG1 VAL 27 5.353 -0.921 2.081 209 HG13 VAL 27 3HG1 VAL 27 6.632 -2.067 1.675 210 HG21 VAL 27 3HG2 VAL 27 5.449 -3.172 -0.922 211 HG22 VAL 27 1HG2 VAL 27 7.112 -2.653 -0.639 212 HG23 VAL 27 2HG2 VAL 27 6.178 -1.943 -1.957 213 H LEU 28 H LEU 28 4.741 1.663 -0.686 214 HA LEU 28 HA LEU 28 4.381 1.834 -3.553 215 HB2 LEU 28 2HB LEU 28 3.646 3.687 -2.105 216 HB3 LEU 28 1HB LEU 28 5.262 3.828 -1.439 217 HG LEU 28 HG LEU 28 6.007 4.433 -3.808 218 HD11 LEU 28 1HD1 LEU 28 3.056 4.844 -4.172 219 HD12 LEU 28 2HD1 LEU 28 4.040 3.640 -4.993 220 HD13 LEU 28 3HD1 LEU 28 4.320 5.357 -5.285 221 HD21 LEU 28 3HD2 LEU 28 5.364 6.756 -3.552 222 HD22 LEU 28 1HD2 LEU 28 5.822 6.062 -1.998 223 HD23 LEU 28 2HD2 LEU 28 4.117 6.300 -2.396 224 HA PRO 29 HA PRO 29 8.757 0.773 -3.727 225 HB2 PRO 29 2HB PRO 29 9.064 0.910 -6.402 226 HB3 PRO 29 1HB PRO 29 8.222 -0.435 -5.620 227 HG2 PRO 29 2HG PRO 29 7.087 1.965 -6.991 228 HG3 PRO 29 1HG PRO 29 6.573 0.269 -7.069 229 HD2 PRO 29 2HD PRO 29 5.344 2.148 -5.494 230 HD3 PRO 29 1HD PRO 29 5.375 0.413 -5.121 231 H GLU 30 H GLU 30 10.607 1.772 -5.277 232 HA GLU 30 HA GLU 30 11.019 4.406 -4.364 233 HB2 GLU 30 2HB GLU 30 12.459 2.783 -6.455 234 HB3 GLU 30 1HB GLU 30 13.046 4.310 -5.806 235 HG2 GLU 30 2HG GLU 30 13.300 3.405 -3.641 236 HG3 GLU 30 1HG GLU 30 12.408 1.951 -4.073 237 H THR 31 H THR 31 9.573 3.137 -7.218 238 HA THR 31 HA THR 31 9.647 5.637 -8.601 239 HB THR 31 HB THR 31 8.139 4.359 -10.195 240 HG1 THR 31 1HG THR 31 7.332 2.922 -8.838 241 HG21 THR 31 3HG2 THR 31 10.570 4.517 -10.553 242 HG22 THR 31 1HG2 THR 31 9.968 2.930 -11.030 243 HG23 THR 31 2HG2 THR 31 10.817 3.129 -9.497 244 H GLY 32 H GLY 32 8.467 7.170 -7.607 245 HA2 GLY 32 2HA GLY 32 5.919 7.673 -7.732 246 HA3 GLY 32 1HA GLY 32 5.907 6.512 -6.405 247 H GLY 33 H GLY 33 5.298 9.398 -6.439 248 HA2 GLY 33 2HA GLY 33 7.466 10.563 -4.896 249 HA3 GLY 33 1HA GLY 33 6.000 11.378 -5.425 250 H GLY 34 H GLY 34 4.139 9.512 -4.449 251 HA2 GLY 34 2HA GLY 34 4.342 8.567 -1.914 252 HA3 GLY 34 1HA GLY 34 4.030 10.285 -1.696 Start of MODEL 18 1 H1 CYS 1 H CYS 1 -0.396 7.566 -2.339 2 HA CYS 1 HA CYS 1 -2.696 5.921 -3.166 3 HB2 CYS 1 2HB CYS 1 0.095 4.962 -2.559 4 HB3 CYS 1 1HB CYS 1 -1.275 3.921 -2.895 5 H ARG 2 H ARG 2 -2.736 4.017 -1.420 6 HA ARG 2 HA ARG 2 -3.115 5.222 1.127 7 HB2 ARG 2 2HB ARG 2 -3.175 2.378 0.181 8 HB3 ARG 2 1HB ARG 2 -3.022 2.714 1.894 9 HG2 ARG 2 2HG ARG 2 -5.320 2.267 1.432 10 HG3 ARG 2 1HG ARG 2 -5.172 3.974 1.796 11 HD2 ARG 2 2HD ARG 2 -5.332 2.847 -1.001 12 HD3 ARG 2 1HD ARG 2 -6.735 3.361 -0.081 13 HE ARG 2 HE ARG 2 -5.012 5.497 -0.095 14 HH11 ARG 2 1HH1 ARG 2 -6.743 3.603 -2.554 15 HH12 ARG 2 2HH1 ARG 2 -6.880 4.883 -3.647 16 HH21 ARG 2 1HH2 ARG 2 -5.221 7.253 -1.575 17 HH22 ARG 2 2HH2 ARG 2 -5.973 7.028 -3.088 18 H ILE 3 H ILE 3 -2.047 4.347 3.143 19 HA ILE 3 HA ILE 3 0.700 4.999 2.987 20 HB ILE 3 HB ILE 3 0.794 4.541 5.414 21 HG12 ILE 3 2HG1 ILE 3 -2.103 3.689 5.100 22 HG13 ILE 3 1HG1 ILE 3 -0.756 2.628 5.480 23 HG21 ILE 3 1HG2 ILE 3 0.101 6.725 4.661 24 HG22 ILE 3 2HG2 ILE 3 -0.803 6.283 6.109 25 HG23 ILE 3 3HG2 ILE 3 -1.571 6.185 4.526 26 HD11 ILE 3 3HD1 ILE 3 -1.786 4.867 7.200 27 HD12 ILE 3 1HD1 ILE 3 -0.415 3.823 7.578 28 HD13 ILE 3 2HD1 ILE 3 -2.035 3.139 7.456 29 HA HYP 4 HA HYP 4 2.618 1.056 2.454 30 HB2 HYP 4 2HB HYP 4 4.699 1.699 4.432 31 HB3 HYP 4 1HB HYP 4 4.844 1.497 2.684 32 HG HYP 4 HG HYP 4 5.120 3.902 3.743 33 HD22 HYP 4 2HD1 HYP 4 3.054 3.977 4.974 34 HD23 HYP 4 1HD1 HYP 4 2.633 4.832 3.472 35 HD1 HYP 4 2HD HYP 4 3.468 4.381 1.816 36 H ASN 5 H ASN 5 1.388 1.879 5.456 37 HA ASN 5 HA ASN 5 2.207 -0.574 6.794 38 HB2 ASN 5 2HB ASN 5 0.448 1.695 7.755 39 HB3 ASN 5 1HB ASN 5 0.824 0.272 8.716 40 HD21 ASN 5 1HD2 ASN 5 2.866 0.078 9.616 41 HD22 ASN 5 2HD2 ASN 5 3.988 1.385 9.658 42 H GLN 6 H GLN 6 0.012 0.063 4.550 43 HA GLN 6 HA GLN 6 -2.289 -1.294 5.562 44 HB2 GLN 6 2HB GLN 6 -1.405 -0.610 2.773 45 HB3 GLN 6 1HB GLN 6 -2.954 -1.327 3.167 46 HG2 GLN 6 2HG GLN 6 -1.978 1.368 4.084 47 HG3 GLN 6 1HG GLN 6 -3.086 1.031 2.750 48 HE21 GLN 6 1HE2 GLN 6 -5.090 0.317 3.161 49 HE22 GLN 6 2HE2 GLN 6 -5.872 0.515 4.697 50 H LYS 7 H LYS 7 -2.984 -3.341 5.000 51 HA LYS 7 HA LYS 7 -0.964 -5.230 4.079 52 HB2 LYS 7 2HB LYS 7 -3.712 -5.529 5.256 53 HB3 LYS 7 1HB LYS 7 -2.847 -6.886 4.576 54 HG2 LYS 7 2HG LYS 7 -1.770 -5.183 6.822 55 HG3 LYS 7 1HG LYS 7 -2.709 -6.652 7.072 56 HD2 LYS 7 2HD LYS 7 -0.073 -6.497 5.580 57 HD3 LYS 7 1HD LYS 7 -0.284 -7.066 7.238 58 HE2 LYS 7 2HE LYS 7 -1.820 -8.827 6.385 59 HE3 LYS 7 1HE LYS 7 -1.460 -8.307 4.744 60 HZ1 LYS 7 3HZ LYS 7 0.918 -8.939 5.186 61 HZ2 LYS 7 1HZ LYS 7 -0.195 -10.206 5.342 62 HZ3 LYS 7 2HZ LYS 7 0.410 -9.478 6.706 63 H CYS 8 H CYS 8 -0.898 -5.631 1.986 64 HA CYS 8 HA CYS 8 -3.359 -5.164 0.488 65 HB2 CYS 8 2HB CYS 8 -1.926 -4.487 -1.421 66 HB3 CYS 8 1HB CYS 8 -1.799 -3.405 -0.040 67 H PHE 9 H PHE 9 -3.465 -6.395 -1.520 68 HA PHE 9 HA PHE 9 -1.975 -8.875 -1.442 69 HB2 PHE 9 2HB PHE 9 -4.990 -8.560 -1.636 70 HB3 PHE 9 1HB PHE 9 -4.157 -10.036 -2.070 71 HD1 PHE 9 2HD PHE 9 -5.083 -7.803 0.753 72 HD2 PHE 9 1HD PHE 9 -3.398 -11.554 -0.386 73 HE1 PHE 9 2HE PHE 9 -5.266 -8.580 3.053 74 HE2 PHE 9 1HE PHE 9 -3.586 -12.330 1.938 75 HZ PHE 9 HZ PHE 9 -4.524 -10.843 3.660 76 H GLN 10 H GLN 10 -1.933 -9.813 -3.567 77 HA GLN 10 HA GLN 10 -1.591 -7.904 -5.600 78 HB2 GLN 10 2HB GLN 10 -1.746 -10.895 -5.647 79 HB3 GLN 10 1HB GLN 10 -1.404 -9.955 -7.089 80 HG2 GLN 10 2HG GLN 10 0.202 -9.944 -4.550 81 HG3 GLN 10 1HG GLN 10 0.632 -10.766 -6.052 82 HE21 GLN 10 1HE2 GLN 10 1.988 -8.643 -4.576 83 HE22 GLN 10 2HE2 GLN 10 2.159 -7.336 -5.688 84 H HIS 11 H HIS 11 -4.255 -9.779 -4.651 85 HA HIS 11 HA HIS 11 -5.794 -9.077 -7.024 86 HB2 HIS 11 2HB HIS 11 -7.476 -10.678 -6.068 87 HB3 HIS 11 1HB HIS 11 -5.910 -11.402 -6.406 88 HD1 HIS 11 1HD HIS 11 -4.671 -12.471 -4.423 89 HD2 HIS 11 2HD HIS 11 -8.080 -10.373 -3.333 90 HE1 HIS 11 1HE HIS 11 -5.069 -13.025 -1.996 91 H LEU 12 H LEU 12 -4.985 -7.287 -4.615 92 HA LEU 12 HA LEU 12 -7.656 -6.202 -4.175 93 HB2 LEU 12 2HB LEU 12 -7.039 -7.503 -2.190 94 HB3 LEU 12 1HB LEU 12 -5.534 -6.610 -2.080 95 HG LEU 12 HG LEU 12 -6.874 -4.546 -1.763 96 HD11 LEU 12 1HD1 LEU 12 -8.989 -5.266 -2.670 97 HD12 LEU 12 2HD1 LEU 12 -9.201 -4.798 -0.979 98 HD13 LEU 12 3HD1 LEU 12 -9.129 -6.506 -1.424 99 HD21 LEU 12 3HD2 LEU 12 -5.795 -5.617 0.106 100 HD22 LEU 12 1HD2 LEU 12 -7.147 -6.737 0.282 101 HD23 LEU 12 2HD2 LEU 12 -7.379 -5.021 0.604 102 H ASP 13 H ASP 13 -7.458 -4.302 -5.250 103 HA ASP 13 HA ASP 13 -4.950 -2.923 -5.155 104 HB2 ASP 13 2HB ASP 13 -5.860 -1.290 -6.738 105 HB3 ASP 13 1HB ASP 13 -6.168 -2.920 -7.302 106 H ASP 14 H ASP 14 -4.989 -2.781 -2.920 107 HA ASP 14 HA ASP 14 -6.513 -0.494 -1.890 108 HB2 ASP 14 2HB ASP 14 -6.215 -2.582 -0.463 109 HB3 ASP 14 1HB ASP 14 -4.502 -2.193 -0.371 110 H CYS 15 H CYS 15 -3.419 -1.519 -2.877 111 HA CYS 15 HA CYS 15 -2.337 1.189 -2.567 112 HB2 CYS 15 2HB CYS 15 -0.883 -1.408 -3.144 113 HB3 CYS 15 1HB CYS 15 -0.146 0.150 -2.762 114 H CYS 16 H CYS 16 -1.789 2.275 -4.511 115 HA CYS 16 HA CYS 16 -3.398 1.875 -6.583 116 HB2 CYS 16 2HB CYS 16 -0.687 3.136 -6.890 117 HB3 CYS 16 1HB CYS 16 -2.122 3.451 -7.853 118 H SER 17 H SER 17 0.019 0.877 -6.401 119 HA SER 17 HA SER 17 -0.087 -0.203 -9.066 120 HB2 SER 17 2HB SER 17 2.240 -0.160 -7.169 121 HB3 SER 17 1HB SER 17 2.272 -0.224 -8.935 122 HG SER 17 HG SER 17 1.875 1.851 -9.046 123 H ARG 18 H ARG 18 -1.035 -1.391 -6.187 124 HA ARG 18 HA ARG 18 -1.105 -3.349 -5.066 125 HB2 ARG 18 2HB ARG 18 -0.840 -4.508 -7.865 126 HB3 ARG 18 1HB ARG 18 -1.268 -5.453 -6.453 127 HG2 ARG 18 2HG ARG 18 -3.321 -5.046 -7.489 128 HG3 ARG 18 1HG ARG 18 -3.252 -3.830 -6.221 129 HD2 ARG 18 2HD ARG 18 -4.058 -2.803 -8.248 130 HD3 ARG 18 1HD ARG 18 -2.442 -2.189 -7.899 131 HE ARG 18 HE ARG 18 -2.407 -4.456 -9.608 132 HH11 ARG 18 1HH1 ARG 18 -2.727 -0.895 -9.619 133 HH12 ARG 18 2HH1 ARG 18 -2.442 -0.753 -11.280 134 HH21 ARG 18 1HH2 ARG 18 -1.963 -4.182 -11.918 135 HH22 ARG 18 2HH2 ARG 18 -2.003 -2.633 -12.603 136 H LYS 19 H LYS 19 1.454 -2.145 -5.299 137 HA LYS 19 HA LYS 19 3.303 -4.333 -5.469 138 HB2 LYS 19 2HB LYS 19 3.684 -1.400 -4.893 139 HB3 LYS 19 1HB LYS 19 4.987 -2.577 -4.766 140 HG2 LYS 19 2HG LYS 19 4.841 -3.116 -7.061 141 HG3 LYS 19 1HG LYS 19 3.364 -2.178 -7.237 142 HD2 LYS 19 2HD LYS 19 5.307 -0.953 -8.158 143 HD3 LYS 19 1HD LYS 19 4.657 -0.108 -6.758 144 HE2 LYS 19 2HE LYS 19 7.083 -0.124 -6.676 145 HE3 LYS 19 1HE LYS 19 6.440 -1.098 -5.360 146 HZ1 LYS 19 3HZ LYS 19 6.883 -3.075 -6.742 147 HZ2 LYS 19 1HZ LYS 19 8.274 -2.215 -6.370 148 HZ3 LYS 19 2HZ LYS 19 7.601 -2.112 -7.910 149 H CYS 20 H CYS 20 3.618 -5.556 -3.966 150 HA CYS 20 HA CYS 20 3.271 -4.679 -1.184 151 HB2 CYS 20 2HB CYS 20 2.353 -7.323 -2.349 152 HB3 CYS 20 1HB CYS 20 2.215 -6.816 -0.668 153 H ASN 21 H ASN 21 4.685 -5.597 0.254 154 HA ASN 21 HA ASN 21 7.053 -6.763 -0.929 155 HB2 ASN 21 2HB ASN 21 8.135 -6.469 1.281 156 HB3 ASN 21 1HB ASN 21 7.367 -4.998 0.746 157 HD21 ASN 21 1HD2 ASN 21 7.318 -4.167 2.798 158 HD22 ASN 21 2HD2 ASN 21 6.263 -4.734 4.019 159 H ARG 22 H ARG 22 8.091 -8.540 0.899 160 HA ARG 22 HA ARG 22 6.719 -10.889 0.207 161 HB2 ARG 22 2HB ARG 22 8.306 -12.074 1.645 162 HB3 ARG 22 1HB ARG 22 9.098 -10.918 0.586 163 HG2 ARG 22 2HG ARG 22 9.419 -9.389 2.393 164 HG3 ARG 22 1HG ARG 22 8.431 -10.379 3.466 165 HD2 ARG 22 2HD ARG 22 10.788 -10.696 3.916 166 HD3 ARG 22 1HD ARG 22 10.051 -12.178 3.310 167 HE ARG 22 HE ARG 22 11.070 -11.010 1.086 168 HH11 ARG 22 1HH1 ARG 22 12.462 -11.940 4.184 169 HH12 ARG 22 2HH1 ARG 22 14.035 -12.192 3.583 170 HH21 ARG 22 1HH2 ARG 22 13.172 -11.407 0.227 171 HH22 ARG 22 2HH2 ARG 22 14.461 -11.894 1.235 172 H PHE 23 H PHE 23 6.086 -8.810 2.820 173 HA PHE 23 HA PHE 23 4.685 -10.897 4.339 174 HB2 PHE 23 2HB PHE 23 5.266 -8.009 5.054 175 HB3 PHE 23 1HB PHE 23 4.541 -9.206 6.121 176 HD1 PHE 23 2HD PHE 23 5.953 -11.369 6.456 177 HD2 PHE 23 1HD PHE 23 7.529 -7.639 5.172 178 HE1 PHE 23 2HE PHE 23 8.157 -12.072 7.179 179 HE2 PHE 23 1HE PHE 23 9.769 -8.335 5.896 180 HZ PHE 23 HZ PHE 23 10.101 -10.553 6.905 181 H ASN 24 H ASN 24 4.110 -9.327 1.766 182 HA ASN 24 HA ASN 24 2.681 -8.143 0.706 183 HB2 ASN 24 2HB ASN 24 0.410 -8.993 0.536 184 HB3 ASN 24 1HB ASN 24 1.508 -10.331 0.775 185 HD21 ASN 24 1HD2 ASN 24 -1.192 -8.660 1.878 186 HD22 ASN 24 2HD2 ASN 24 -1.610 -9.696 3.208 187 H LYS 25 H LYS 25 3.651 -6.790 2.747 188 HA LYS 25 HA LYS 25 1.504 -5.064 3.625 189 HB2 LYS 25 2HB LYS 25 4.476 -4.943 4.035 190 HB3 LYS 25 1HB LYS 25 3.341 -3.741 4.632 191 HG2 LYS 25 2HG LYS 25 2.249 -5.473 5.978 192 HG3 LYS 25 1HG LYS 25 3.454 -6.639 5.416 193 HD2 LYS 25 2HD LYS 25 5.207 -5.263 6.276 194 HD3 LYS 25 1HD LYS 25 4.032 -4.074 6.840 195 HE2 LYS 25 2HE LYS 25 4.219 -6.935 7.806 196 HE3 LYS 25 1HE LYS 25 4.812 -5.525 8.682 197 HZ1 LYS 25 3HZ LYS 25 2.547 -4.683 8.764 198 HZ2 LYS 25 1HZ LYS 25 2.651 -6.202 9.486 199 HZ3 LYS 25 2HZ LYS 25 1.988 -6.042 7.950 200 H CYS 26 H CYS 26 1.605 -2.816 3.017 201 HA CYS 26 HA CYS 26 1.820 -2.660 0.203 202 HB2 CYS 26 2HB CYS 26 0.073 -1.606 1.591 203 HB3 CYS 26 1HB CYS 26 1.267 -0.456 2.175 204 H VAL 27 H VAL 27 3.421 -1.900 -1.028 205 HA VAL 27 HA VAL 27 5.291 -0.105 0.247 206 HB VAL 27 HB VAL 27 7.144 -0.975 -1.234 207 HG11 VAL 27 1HG1 VAL 27 5.991 -2.919 0.748 208 HG12 VAL 27 2HG1 VAL 27 7.036 -1.545 1.108 209 HG13 VAL 27 3HG1 VAL 27 7.659 -2.905 0.172 210 HG21 VAL 27 3HG2 VAL 27 5.853 -2.182 -2.904 211 HG22 VAL 27 1HG2 VAL 27 5.250 -3.284 -1.662 212 HG23 VAL 27 2HG2 VAL 27 6.959 -3.286 -2.073 213 H LEU 28 H LEU 28 5.236 1.757 -0.507 214 HA LEU 28 HA LEU 28 3.710 2.438 -2.797 215 HB2 LEU 28 2HB LEU 28 3.963 3.786 -0.692 216 HB3 LEU 28 1HB LEU 28 5.603 4.144 -1.179 217 HG LEU 28 HG LEU 28 4.653 5.276 -3.220 218 HD11 LEU 28 1HD1 LEU 28 2.322 5.913 -3.184 219 HD12 LEU 28 2HD1 LEU 28 2.088 5.036 -1.680 220 HD13 LEU 28 3HD1 LEU 28 2.431 4.149 -3.156 221 HD21 LEU 28 3HD2 LEU 28 3.990 7.281 -1.995 222 HD22 LEU 28 1HD2 LEU 28 5.420 6.530 -1.289 223 HD23 LEU 28 2HD2 LEU 28 3.847 6.325 -0.521 224 HA PRO 29 HA PRO 29 6.940 1.877 -5.900 225 HB2 PRO 29 2HB PRO 29 5.946 3.808 -7.662 226 HB3 PRO 29 1HB PRO 29 5.486 2.103 -7.638 227 HG2 PRO 29 2HG PRO 29 4.106 4.459 -6.436 228 HG3 PRO 29 1HG PRO 29 3.409 3.034 -7.226 229 HD2 PRO 29 2HD PRO 29 3.378 3.289 -4.593 230 HD3 PRO 29 1HD PRO 29 3.682 1.705 -5.335 231 H GLU 30 H GLU 30 8.799 2.613 -5.269 232 HA GLU 30 HA GLU 30 10.587 3.877 -4.891 233 HB2 GLU 30 2HB GLU 30 9.212 5.770 -6.786 234 HB3 GLU 30 1HB GLU 30 10.865 5.977 -6.229 235 HG2 GLU 30 2HG GLU 30 11.392 3.747 -7.201 236 HG3 GLU 30 1HG GLU 30 9.761 3.717 -7.866 237 H THR 31 H THR 31 8.105 4.233 -3.272 238 HA THR 31 HA THR 31 7.335 5.389 -1.496 239 HB THR 31 HB THR 31 10.067 6.719 -1.353 240 HG1 THR 31 1HG THR 31 9.927 4.307 -1.714 241 HG21 THR 31 3HG2 THR 31 8.135 5.737 0.768 242 HG22 THR 31 1HG2 THR 31 8.401 7.423 0.320 243 HG23 THR 31 2HG2 THR 31 9.699 6.494 1.070 244 H GLY 32 H GLY 32 6.832 6.468 -4.081 245 HA2 GLY 32 2HA GLY 32 6.242 9.198 -3.290 246 HA3 GLY 32 1HA GLY 32 7.180 8.970 -4.756 247 H GLY 33 H GLY 33 4.023 8.697 -3.317 248 HA2 GLY 33 2HA GLY 33 2.785 8.809 -5.863 249 HA3 GLY 33 1HA GLY 33 2.720 7.176 -5.225 250 H GLY 34 H GLY 34 0.514 8.944 -5.752 251 HA2 GLY 34 2HA GLY 34 -0.479 9.736 -3.136 252 HA3 GLY 34 1HA GLY 34 -1.285 9.977 -4.686 Start of MODEL 19 1 H1 CYS 1 H CYS 1 -0.657 8.232 -1.027 2 HA CYS 1 HA CYS 1 -3.314 7.916 -2.150 3 HB2 CYS 1 2HB CYS 1 -2.673 5.686 -3.057 4 HB3 CYS 1 1HB CYS 1 -1.815 7.006 -3.851 5 H ARG 2 H ARG 2 -3.069 4.979 -1.395 6 HA ARG 2 HA ARG 2 -3.755 5.185 1.335 7 HB2 ARG 2 2HB ARG 2 -3.045 2.757 -0.358 8 HB3 ARG 2 1HB ARG 2 -3.466 2.630 1.338 9 HG2 ARG 2 2HG ARG 2 -5.447 2.122 0.223 10 HG3 ARG 2 1HG ARG 2 -5.653 3.798 0.709 11 HD2 ARG 2 2HD ARG 2 -6.452 3.705 -1.500 12 HD3 ARG 2 1HD ARG 2 -4.836 4.391 -1.645 13 HE ARG 2 HE ARG 2 -4.705 1.596 -1.921 14 HH11 ARG 2 1HH1 ARG 2 -5.847 4.427 -3.741 15 HH12 ARG 2 2HH1 ARG 2 -5.723 3.681 -5.257 16 HH21 ARG 2 1HH2 ARG 2 -4.630 0.551 -4.020 17 HH22 ARG 2 2HH2 ARG 2 -5.044 1.424 -5.421 18 H ILE 3 H ILE 3 -2.549 4.459 3.174 19 HA ILE 3 HA ILE 3 0.087 5.409 3.020 20 HB ILE 3 HB ILE 3 0.385 4.732 5.374 21 HG12 ILE 3 2HG1 ILE 3 -2.393 3.538 5.156 22 HG13 ILE 3 1HG1 ILE 3 -0.902 2.612 5.266 23 HG21 ILE 3 1HG2 ILE 3 -0.678 6.849 4.883 24 HG22 ILE 3 2HG2 ILE 3 -1.371 6.134 6.339 25 HG23 ILE 3 3HG2 ILE 3 -2.256 6.061 4.815 26 HD11 ILE 3 3HD1 ILE 3 -2.047 2.714 7.400 27 HD12 ILE 3 1HD1 ILE 3 -1.989 4.475 7.357 28 HD13 ILE 3 2HD1 ILE 3 -0.494 3.551 7.483 29 HA HYP 4 HA HYP 4 2.303 1.683 1.968 30 HB2 HYP 4 2HB HYP 4 4.646 2.717 3.391 31 HB3 HYP 4 1HB HYP 4 4.396 2.557 1.649 32 HG HYP 4 HG HYP 4 4.520 4.990 2.699 33 HD22 HYP 4 2HD1 HYP 4 2.842 4.611 4.420 34 HD23 HYP 4 1HD1 HYP 4 1.975 5.485 3.129 35 HD1 HYP 4 2HD HYP 4 2.291 4.397 1.173 36 H ASN 5 H ASN 5 0.799 1.592 4.383 37 HA ASN 5 HA ASN 5 2.195 -0.550 5.874 38 HB2 ASN 5 2HB ASN 5 0.858 1.864 7.137 39 HB3 ASN 5 1HB ASN 5 1.148 0.361 7.996 40 HD21 ASN 5 1HD2 ASN 5 2.141 3.082 8.512 41 HD22 ASN 5 2HD2 ASN 5 3.851 2.955 8.501 42 H GLN 6 H GLN 6 -0.230 0.185 3.945 43 HA GLN 6 HA GLN 6 -2.292 -1.245 5.378 44 HB2 GLN 6 2HB GLN 6 -2.124 -0.337 2.484 45 HB3 GLN 6 1HB GLN 6 -3.517 -1.145 3.187 46 HG2 GLN 6 2HG GLN 6 -2.422 1.537 4.008 47 HG3 GLN 6 1HG GLN 6 -3.866 1.252 3.041 48 HE21 GLN 6 1HE2 GLN 6 -5.719 0.482 4.048 49 HE22 GLN 6 2HE2 GLN 6 -5.907 0.521 5.768 50 H LYS 7 H LYS 7 -3.041 -3.352 4.690 51 HA LYS 7 HA LYS 7 -0.756 -4.856 3.819 52 HB2 LYS 7 2HB LYS 7 -3.308 -5.757 5.090 53 HB3 LYS 7 1HB LYS 7 -2.099 -6.859 4.449 54 HG2 LYS 7 2HG LYS 7 -0.446 -5.683 5.971 55 HG3 LYS 7 1HG LYS 7 -1.852 -4.948 6.742 56 HD2 LYS 7 2HD LYS 7 -1.319 -6.890 8.010 57 HD3 LYS 7 1HD LYS 7 -2.756 -7.238 7.023 58 HE2 LYS 7 2HE LYS 7 -1.496 -8.522 5.468 59 HE3 LYS 7 1HE LYS 7 0.031 -8.037 6.193 60 HZ1 LYS 7 3HZ LYS 7 -2.047 -9.748 7.463 61 HZ2 LYS 7 1HZ LYS 7 -0.617 -9.250 8.199 62 HZ3 LYS 7 2HZ LYS 7 -0.543 -10.254 6.872 63 H CYS 8 H CYS 8 -1.219 -6.801 2.583 64 HA CYS 8 HA CYS 8 -3.175 -6.490 0.492 65 HB2 CYS 8 2HB CYS 8 -1.284 -6.591 -1.233 66 HB3 CYS 8 1HB CYS 8 -1.607 -5.041 -0.458 67 H PHE 9 H PHE 9 -3.399 -8.317 -0.722 68 HA PHE 9 HA PHE 9 -1.838 -10.666 0.045 69 HB2 PHE 9 2HB PHE 9 -4.872 -10.507 -0.066 70 HB3 PHE 9 1HB PHE 9 -3.941 -11.972 0.167 71 HD1 PHE 9 1HD PHE 9 -2.881 -12.458 2.286 72 HD2 PHE 9 2HD PHE 9 -5.162 -8.907 1.759 73 HE1 PHE 9 1HE PHE 9 -2.978 -12.157 4.715 74 HE2 PHE 9 2HE PHE 9 -5.257 -8.600 4.190 75 HZ PHE 9 HZ PHE 9 -4.165 -10.228 5.679 76 H GLN 10 H GLN 10 -2.590 -12.466 -1.626 77 HA GLN 10 HA GLN 10 -2.151 -11.472 -4.236 78 HB2 GLN 10 2HB GLN 10 -3.338 -14.119 -3.378 79 HB3 GLN 10 1HB GLN 10 -2.881 -13.729 -5.020 80 HG2 GLN 10 2HG GLN 10 -0.559 -13.494 -4.338 81 HG3 GLN 10 1HG GLN 10 -1.001 -13.861 -2.672 82 HE21 GLN 10 1HE2 GLN 10 -2.957 -15.898 -3.478 83 HE22 GLN 10 2HE2 GLN 10 -2.038 -17.258 -3.986 84 H HIS 11 H HIS 11 -5.034 -12.458 -2.520 85 HA HIS 11 HA HIS 11 -6.694 -11.829 -4.801 86 HB2 HIS 11 2HB HIS 11 -7.496 -12.757 -2.035 87 HB3 HIS 11 1HB HIS 11 -8.570 -12.616 -3.419 88 HD1 HIS 11 1HD HIS 11 -7.647 -14.242 -5.574 89 HD2 HIS 11 2HD HIS 11 -6.528 -15.220 -1.690 90 HE1 HIS 11 1HE HIS 11 -6.930 -16.648 -5.641 91 H LEU 12 H LEU 12 -5.281 -9.923 -2.552 92 HA LEU 12 HA LEU 12 -7.500 -8.003 -2.632 93 HB2 LEU 12 2HB LEU 12 -5.814 -8.582 -0.197 94 HB3 LEU 12 1HB LEU 12 -6.794 -7.153 -0.362 95 HG LEU 12 HG LEU 12 -8.800 -8.738 -0.539 96 HD11 LEU 12 1HD1 LEU 12 -8.568 -10.918 0.491 97 HD12 LEU 12 2HD1 LEU 12 -6.829 -10.692 0.619 98 HD13 LEU 12 3HD1 LEU 12 -7.589 -10.806 -0.972 99 HD21 LEU 12 3HD2 LEU 12 -8.351 -7.373 1.400 100 HD22 LEU 12 1HD2 LEU 12 -7.234 -8.587 2.025 101 HD23 LEU 12 2HD2 LEU 12 -8.948 -8.961 1.880 102 H ASP 13 H ASP 13 -6.737 -6.526 -4.002 103 HA ASP 13 HA ASP 13 -4.009 -5.635 -3.581 104 HB2 ASP 13 2HB ASP 13 -5.771 -5.352 -6.010 105 HB3 ASP 13 1HB ASP 13 -4.302 -4.408 -5.808 106 H ASP 14 H ASP 14 -4.237 -4.364 -1.913 107 HA ASP 14 HA ASP 14 -6.045 -2.073 -2.086 108 HB2 ASP 14 2HB ASP 14 -4.504 -3.290 0.193 109 HB3 ASP 14 1HB ASP 14 -5.101 -1.644 0.310 110 H CYS 15 H CYS 15 -2.863 -2.823 -2.785 111 HA CYS 15 HA CYS 15 -1.643 -0.385 -1.905 112 HB2 CYS 15 2HB CYS 15 -0.558 -2.392 -3.878 113 HB3 CYS 15 1HB CYS 15 0.347 -1.233 -2.915 114 H CYS 16 H CYS 16 -1.073 1.402 -3.081 115 HA CYS 16 HA CYS 16 -2.694 2.449 -5.010 116 HB2 CYS 16 2HB CYS 16 0.207 3.172 -4.803 117 HB3 CYS 16 1HB CYS 16 -1.184 4.229 -5.040 118 H SER 17 H SER 17 0.474 0.900 -5.511 119 HA SER 17 HA SER 17 -0.068 0.911 -8.388 120 HB2 SER 17 2HB SER 17 1.916 2.230 -7.619 121 HB3 SER 17 1HB SER 17 2.595 0.761 -6.933 122 HG SER 17 HG SER 17 1.952 1.122 -9.666 123 H ARG 18 H ARG 18 -0.961 -0.977 -6.255 124 HA ARG 18 HA ARG 18 -1.106 -3.088 -5.652 125 HB2 ARG 18 2HB ARG 18 -0.418 -3.502 -8.550 126 HB3 ARG 18 1HB ARG 18 -1.162 -4.711 -7.503 127 HG2 ARG 18 2HG ARG 18 -3.073 -3.245 -7.146 128 HG3 ARG 18 1HG ARG 18 -2.328 -2.022 -8.169 129 HD2 ARG 18 2HD ARG 18 -3.157 -4.775 -8.996 130 HD3 ARG 18 1HD ARG 18 -4.007 -3.260 -9.338 131 HE ARG 18 HE ARG 18 -1.556 -2.814 -10.355 132 HH11 ARG 18 1HH1 ARG 18 -3.771 -5.529 -10.867 133 HH12 ARG 18 2HH1 ARG 18 -3.350 -5.729 -12.509 134 HH21 ARG 18 1HH2 ARG 18 -0.967 -3.118 -12.559 135 HH22 ARG 18 2HH2 ARG 18 -1.720 -4.331 -13.493 136 H LYS 19 H LYS 19 1.716 -1.917 -5.564 137 HA LYS 19 HA LYS 19 3.380 -4.261 -5.846 138 HB2 LYS 19 2HB LYS 19 4.139 -1.829 -6.289 139 HB3 LYS 19 1HB LYS 19 4.161 -1.661 -4.551 140 HG2 LYS 19 2HG LYS 19 5.749 -3.581 -4.407 141 HG3 LYS 19 1HG LYS 19 5.795 -3.590 -6.158 142 HD2 LYS 19 2HD LYS 19 6.540 -1.173 -4.514 143 HD3 LYS 19 1HD LYS 19 7.705 -2.374 -5.065 144 HE2 LYS 19 2HE LYS 19 5.913 -0.718 -6.835 145 HE3 LYS 19 1HE LYS 19 7.606 -0.386 -6.507 146 HZ1 LYS 19 3HZ LYS 19 8.194 -2.494 -7.527 147 HZ2 LYS 19 1HZ LYS 19 7.349 -1.526 -8.604 148 HZ3 LYS 19 2HZ LYS 19 6.588 -2.839 -7.873 149 H CYS 20 H CYS 20 3.449 -5.718 -4.323 150 HA CYS 20 HA CYS 20 2.917 -4.958 -1.538 151 HB2 CYS 20 2HB CYS 20 0.997 -6.084 -2.622 152 HB3 CYS 20 1HB CYS 20 2.043 -7.439 -3.032 153 H ASN 21 H ASN 21 4.371 -5.878 -0.073 154 HA ASN 21 HA ASN 21 6.537 -7.371 -1.321 155 HB2 ASN 21 2HB ASN 21 7.873 -6.976 0.720 156 HB3 ASN 21 1HB ASN 21 7.283 -5.478 0.026 157 HD21 ASN 21 1HD2 ASN 21 7.767 -4.571 2.059 158 HD22 ASN 21 2HD2 ASN 21 6.691 -4.700 3.384 159 H ARG 22 H ARG 22 7.615 -8.980 0.305 160 HA ARG 22 HA ARG 22 5.861 -11.190 0.510 161 HB2 ARG 22 2HB ARG 22 7.778 -12.396 1.388 162 HB3 ARG 22 1HB ARG 22 8.239 -11.423 0.001 163 HG2 ARG 22 2HG ARG 22 9.179 -9.732 1.522 164 HG3 ARG 22 1HG ARG 22 8.747 -10.751 2.896 165 HD2 ARG 22 2HD ARG 22 10.146 -12.559 1.891 166 HD3 ARG 22 1HD ARG 22 10.639 -11.388 0.669 167 HE ARG 22 HE ARG 22 11.636 -10.076 2.423 168 HH11 ARG 22 1HH1 ARG 22 10.947 -13.479 3.157 169 HH12 ARG 22 2HH1 ARG 22 12.094 -13.640 4.382 170 HH21 ARG 22 1HH2 ARG 22 13.280 -10.276 4.081 171 HH22 ARG 22 2HH2 ARG 22 13.508 -11.728 4.940 172 H PHE 23 H PHE 23 6.102 -8.620 2.556 173 HA PHE 23 HA PHE 23 5.544 -10.184 4.933 174 HB2 PHE 23 2HB PHE 23 6.066 -7.226 4.579 175 HB3 PHE 23 1HB PHE 23 5.721 -8.004 6.121 176 HD1 PHE 23 2HD PHE 23 7.277 -9.838 6.890 177 HD2 PHE 23 1HD PHE 23 8.267 -7.140 3.750 178 HE1 PHE 23 2HE PHE 23 9.627 -10.378 7.180 179 HE2 PHE 23 1HE PHE 23 10.635 -7.671 4.038 180 HZ PHE 23 HZ PHE 23 11.335 -9.296 5.759 181 H ASN 24 H ASN 24 3.961 -9.195 2.350 182 HA ASN 24 HA ASN 24 1.802 -8.940 1.771 183 HB2 ASN 24 2HB ASN 24 1.330 -9.811 4.636 184 HB3 ASN 24 1HB ASN 24 0.022 -9.535 3.493 185 HD21 ASN 24 1HD2 ASN 24 2.722 -11.559 4.310 186 HD22 ASN 24 2HD2 ASN 24 2.313 -12.864 3.254 187 H LYS 25 H LYS 25 3.294 -6.702 2.526 188 HA LYS 25 HA LYS 25 1.117 -4.954 3.275 189 HB2 LYS 25 2HB LYS 25 2.522 -5.301 5.316 190 HB3 LYS 25 1HB LYS 25 3.941 -4.765 4.435 191 HG2 LYS 25 2HG LYS 25 1.551 -3.033 4.917 192 HG3 LYS 25 1HG LYS 25 2.868 -3.192 6.077 193 HD2 LYS 25 2HD LYS 25 3.235 -2.420 3.219 194 HD3 LYS 25 1HD LYS 25 3.056 -1.210 4.454 195 HE2 LYS 25 2HE LYS 25 5.041 -2.226 5.586 196 HE3 LYS 25 1HE LYS 25 5.225 -3.263 4.168 197 HZ1 LYS 25 3HZ LYS 25 5.393 -1.227 2.807 198 HZ2 LYS 25 1HZ LYS 25 6.610 -1.303 3.984 199 HZ3 LYS 25 2HZ LYS 25 5.272 -0.315 4.197 200 H CYS 26 H CYS 26 1.157 -2.960 2.290 201 HA CYS 26 HA CYS 26 2.073 -2.964 -0.365 202 HB2 CYS 26 2HB CYS 26 0.903 -0.766 1.317 203 HB3 CYS 26 1HB CYS 26 1.188 -0.646 -0.417 204 H VAL 27 H VAL 27 3.832 -2.177 -1.338 205 HA VAL 27 HA VAL 27 5.473 -0.405 0.254 206 HB VAL 27 HB VAL 27 7.438 -1.233 -1.244 207 HG11 VAL 27 1HG1 VAL 27 7.267 -1.697 1.146 208 HG12 VAL 27 2HG1 VAL 27 7.881 -3.101 0.275 209 HG13 VAL 27 3HG1 VAL 27 6.202 -3.062 0.810 210 HG21 VAL 27 3HG2 VAL 27 7.236 -3.524 -2.040 211 HG22 VAL 27 1HG2 VAL 27 6.056 -2.469 -2.818 212 HG23 VAL 27 2HG2 VAL 27 5.544 -3.562 -1.528 213 H LEU 28 H LEU 28 6.257 1.370 -0.645 214 HA LEU 28 HA LEU 28 4.553 2.302 -2.794 215 HB2 LEU 28 2HB LEU 28 4.786 3.505 -0.620 216 HB3 LEU 28 1HB LEU 28 6.451 3.851 -1.048 217 HG LEU 28 HG LEU 28 5.541 5.038 -3.089 218 HD11 LEU 28 1HD1 LEU 28 3.232 5.783 -3.015 219 HD12 LEU 28 2HD1 LEU 28 2.960 4.837 -1.556 220 HD13 LEU 28 3HD1 LEU 28 3.307 4.021 -3.076 221 HD21 LEU 28 3HD2 LEU 28 6.398 6.246 -1.164 222 HD22 LEU 28 1HD2 LEU 28 4.839 6.095 -0.355 223 HD23 LEU 28 2HD2 LEU 28 4.982 7.069 -1.820 224 HA PRO 29 HA PRO 29 8.130 2.213 -5.536 225 HB2 PRO 29 2HB PRO 29 6.853 3.223 -7.720 226 HB3 PRO 29 1HB PRO 29 6.682 1.533 -7.233 227 HG2 PRO 29 2HG PRO 29 4.845 3.837 -6.815 228 HG3 PRO 29 1HG PRO 29 4.461 2.154 -7.210 229 HD2 PRO 29 2HD PRO 29 4.264 3.215 -4.693 230 HD3 PRO 29 1HD PRO 29 4.548 1.493 -5.017 231 H GLU 30 H GLU 30 9.292 3.940 -6.748 232 HA GLU 30 HA GLU 30 9.227 6.343 -5.221 233 HB2 GLU 30 2HB GLU 30 10.942 5.582 -7.583 234 HB3 GLU 30 1HB GLU 30 11.155 7.044 -6.622 235 HG2 GLU 30 2HG GLU 30 11.463 5.610 -4.615 236 HG3 GLU 30 1HG GLU 30 11.408 4.203 -5.666 237 H THR 31 H THR 31 7.827 5.366 -8.153 238 HA THR 31 HA THR 31 7.192 8.099 -8.929 239 HB THR 31 HB THR 31 6.197 5.534 -10.215 240 HG1 THR 31 1HG THR 31 8.723 6.660 -10.139 241 HG21 THR 31 3HG2 THR 31 6.101 6.917 -12.246 242 HG22 THR 31 1HG2 THR 31 6.732 8.297 -11.346 243 HG23 THR 31 2HG2 THR 31 5.138 7.649 -10.963 244 H GLY 32 H GLY 32 6.115 6.238 -6.524 245 HA2 GLY 32 2HA GLY 32 3.261 6.815 -6.998 246 HA3 GLY 32 1HA GLY 32 3.845 5.502 -5.982 247 H GLY 33 H GLY 33 2.024 7.235 -4.945 248 HA2 GLY 33 2HA GLY 33 2.803 7.853 -2.505 249 HA3 GLY 33 1HA GLY 33 3.488 9.207 -3.399 250 H GLY 34 H GLY 34 1.664 9.698 -1.478 251 HA2 GLY 34 2HA GLY 34 -0.282 10.869 -1.088 252 HA3 GLY 34 1HA GLY 34 -0.258 11.250 -2.806 Start of MODEL 20 1 H1 CYS 1 H CYS 1 -0.020 8.084 -2.344 2 HA CYS 1 HA CYS 1 -2.330 6.489 -2.924 3 HB2 CYS 1 2HB CYS 1 0.527 5.751 -2.339 4 HB3 CYS 1 1HB CYS 1 -0.704 4.652 -2.960 5 H ARG 2 H ARG 2 -2.293 4.238 -1.684 6 HA ARG 2 HA ARG 2 -3.027 4.667 1.029 7 HB2 ARG 2 2HB ARG 2 -2.607 2.221 -0.629 8 HB3 ARG 2 1HB ARG 2 -2.670 2.039 1.112 9 HG2 ARG 2 2HG ARG 2 -4.832 1.589 0.129 10 HG3 ARG 2 1HG ARG 2 -4.902 3.027 1.135 11 HD2 ARG 2 2HD ARG 2 -4.863 4.437 -0.846 12 HD3 ARG 2 1HD ARG 2 -4.647 2.994 -1.849 13 HE ARG 2 HE ARG 2 -6.851 2.387 -0.560 14 HH11 ARG 2 1HH1 ARG 2 -5.998 5.262 -2.444 15 HH12 ARG 2 2HH1 ARG 2 -7.590 5.632 -2.896 16 HH21 ARG 2 1HH2 ARG 2 -9.068 2.927 -1.150 17 HH22 ARG 2 2HH2 ARG 2 -9.395 4.271 -2.120 18 H ILE 3 H ILE 3 -2.001 3.304 2.847 19 HA ILE 3 HA ILE 3 0.713 4.269 3.078 20 HB ILE 3 HB ILE 3 0.585 3.507 5.424 21 HG12 ILE 3 2HG1 ILE 3 -2.243 2.640 4.748 22 HG13 ILE 3 1HG1 ILE 3 -0.899 1.540 5.009 23 HG21 ILE 3 1HG2 ILE 3 -1.173 5.062 6.140 24 HG22 ILE 3 2HG2 ILE 3 -1.772 5.123 4.482 25 HG23 ILE 3 3HG2 ILE 3 -0.158 5.729 4.862 26 HD11 ILE 3 3HD1 ILE 3 -2.047 3.435 7.038 27 HD12 ILE 3 1HD1 ILE 3 -0.711 2.316 7.309 28 HD13 ILE 3 2HD1 ILE 3 -2.325 1.694 6.959 29 HA HYP 4 HA HYP 4 2.668 0.373 2.207 30 HB2 HYP 4 2HB HYP 4 5.081 0.760 3.232 31 HB3 HYP 4 1HB HYP 4 4.514 1.768 1.892 32 HG HYP 4 HG HYP 4 4.591 2.376 4.816 33 HD22 HYP 4 2HD1 HYP 4 2.657 3.737 4.592 34 HD23 HYP 4 1HD1 HYP 4 2.979 4.031 2.869 35 HD1 HYP 4 2HD HYP 4 4.963 4.467 3.681 36 H ASN 5 H ASN 5 1.361 0.926 5.033 37 HA ASN 5 HA ASN 5 2.815 -1.253 6.337 38 HB2 ASN 5 2HB ASN 5 1.362 1.024 7.698 39 HB3 ASN 5 1HB ASN 5 2.001 -0.373 8.547 40 HD21 ASN 5 1HD2 ASN 5 4.447 -0.531 6.912 41 HD22 ASN 5 2HD2 ASN 5 5.410 0.805 7.399 42 H GLN 6 H GLN 6 -0.010 -0.591 4.842 43 HA GLN 6 HA GLN 6 -1.602 -2.295 6.580 44 HB2 GLN 6 2HB GLN 6 -3.459 -1.778 5.118 45 HB3 GLN 6 1HB GLN 6 -2.643 -0.287 5.565 46 HG2 GLN 6 2HG GLN 6 -1.522 -0.248 3.397 47 HG3 GLN 6 1HG GLN 6 -2.322 -1.750 2.953 48 HE21 GLN 6 1HE2 GLN 6 -3.866 0.829 4.751 49 HE22 GLN 6 2HE2 GLN 6 -4.952 1.279 3.499 50 H LYS 7 H LYS 7 -2.611 -4.213 5.701 51 HA LYS 7 HA LYS 7 -0.749 -5.713 4.062 52 HB2 LYS 7 2HB LYS 7 -1.970 -6.599 6.141 53 HB3 LYS 7 1HB LYS 7 -3.388 -6.658 5.073 54 HG2 LYS 7 2HG LYS 7 -2.321 -8.113 3.596 55 HG3 LYS 7 1HG LYS 7 -0.795 -7.964 4.462 56 HD2 LYS 7 2HD LYS 7 -1.885 -8.941 6.433 57 HD3 LYS 7 1HD LYS 7 -3.337 -9.192 5.433 58 HE2 LYS 7 2HE LYS 7 -2.070 -10.445 3.865 59 HE3 LYS 7 1HE LYS 7 -0.609 -10.153 4.804 60 HZ1 LYS 7 3HZ LYS 7 -1.595 -12.380 5.149 61 HZ2 LYS 7 1HZ LYS 7 -2.956 -11.664 5.822 62 HZ3 LYS 7 2HZ LYS 7 -1.449 -11.505 6.580 63 H CYS 8 H CYS 8 -1.150 -6.451 2.084 64 HA CYS 8 HA CYS 8 -3.665 -5.673 0.830 65 HB2 CYS 8 2HB CYS 8 -2.327 -5.204 -1.264 66 HB3 CYS 8 1HB CYS 8 -2.088 -4.050 0.043 67 H PHE 9 H PHE 9 -4.067 -6.981 -1.186 68 HA PHE 9 HA PHE 9 -2.958 -9.668 -0.894 69 HB2 PHE 9 2HB PHE 9 -5.900 -8.932 -0.981 70 HB3 PHE 9 1HB PHE 9 -5.289 -10.560 -1.182 71 HD1 PHE 9 2HD PHE 9 -5.436 -7.734 1.328 72 HD2 PHE 9 1HD PHE 9 -4.956 -11.935 0.672 73 HE1 PHE 9 2HE PHE 9 -5.587 -8.128 3.719 74 HE2 PHE 9 1HE PHE 9 -5.111 -12.305 3.097 75 HZ PHE 9 HZ PHE 9 -5.431 -10.408 4.618 76 H GLN 10 H GLN 10 -3.725 -11.039 -2.893 77 HA GLN 10 HA GLN 10 -2.997 -9.637 -5.200 78 HB2 GLN 10 2HB GLN 10 -2.402 -11.950 -4.895 79 HB3 GLN 10 1HB GLN 10 -4.096 -12.398 -4.753 80 HG2 GLN 10 2HG GLN 10 -4.495 -11.749 -7.004 81 HG3 GLN 10 1HG GLN 10 -2.822 -11.201 -7.144 82 HE21 GLN 10 1HE2 GLN 10 -3.636 -14.144 -5.433 83 HE22 GLN 10 2HE2 GLN 10 -2.955 -15.198 -6.600 84 H HIS 11 H HIS 11 -6.047 -10.761 -3.886 85 HA HIS 11 HA HIS 11 -7.405 -9.851 -6.298 86 HB2 HIS 11 2HB HIS 11 -8.411 -11.423 -3.931 87 HB3 HIS 11 1HB HIS 11 -9.407 -10.947 -5.300 88 HD1 HIS 11 1HD HIS 11 -6.995 -13.524 -4.198 89 HD2 HIS 11 2HD HIS 11 -8.691 -12.216 -7.760 90 HE1 HIS 11 1HE HIS 11 -6.520 -15.324 -5.904 91 H LEU 12 H LEU 12 -6.395 -8.385 -3.637 92 HA LEU 12 HA LEU 12 -8.669 -6.561 -3.648 93 HB2 LEU 12 2HB LEU 12 -7.176 -7.409 -1.145 94 HB3 LEU 12 1HB LEU 12 -8.295 -6.084 -1.215 95 HG LEU 12 HG LEU 12 -10.049 -7.828 -1.916 96 HD11 LEU 12 1HD1 LEU 12 -8.023 -9.698 -0.710 97 HD12 LEU 12 2HD1 LEU 12 -8.570 -9.686 -2.386 98 HD13 LEU 12 3HD1 LEU 12 -9.699 -10.093 -1.094 99 HD21 LEU 12 3HD2 LEU 12 -8.910 -7.840 0.864 100 HD22 LEU 12 1HD2 LEU 12 -10.533 -8.366 0.417 101 HD23 LEU 12 2HD2 LEU 12 -10.066 -6.677 0.212 102 H ASP 13 H ASP 13 -7.662 -5.160 -4.998 103 HA ASP 13 HA ASP 13 -5.058 -4.060 -4.147 104 HB2 ASP 13 2HB ASP 13 -6.358 -3.886 -6.864 105 HB3 ASP 13 1HB ASP 13 -4.792 -3.247 -6.423 106 H ASP 14 H ASP 14 -5.329 -2.116 -3.162 107 HA ASP 14 HA ASP 14 -6.897 -0.196 -4.662 108 HB2 ASP 14 2HB ASP 14 -7.802 0.922 -2.681 109 HB3 ASP 14 1HB ASP 14 -8.307 -0.753 -2.732 110 H CYS 15 H CYS 15 -3.962 -0.973 -3.541 111 HA CYS 15 HA CYS 15 -2.918 1.669 -3.119 112 HB2 CYS 15 2HB CYS 15 -1.567 -0.985 -3.656 113 HB3 CYS 15 1HB CYS 15 -0.695 0.511 -3.375 114 H CYS 16 H CYS 16 -1.739 2.925 -4.621 115 HA CYS 16 HA CYS 16 -2.600 3.085 -7.161 116 HB2 CYS 16 2HB CYS 16 0.139 3.924 -6.214 117 HB3 CYS 16 1HB CYS 16 -0.652 4.515 -7.660 118 H SER 17 H SER 17 0.375 1.493 -5.992 119 HA SER 17 HA SER 17 1.351 0.800 -8.549 120 HB2 SER 17 2HB SER 17 3.002 -0.335 -6.905 121 HB3 SER 17 1HB SER 17 2.934 1.433 -7.001 122 HG SER 17 HG SER 17 2.761 0.337 -4.788 123 H ARG 18 H ARG 18 -0.793 -0.581 -6.286 124 HA ARG 18 HA ARG 18 -1.638 -2.631 -5.815 125 HB2 ARG 18 2HB ARG 18 -0.801 -3.213 -8.679 126 HB3 ARG 18 1HB ARG 18 -1.741 -4.311 -7.687 127 HG2 ARG 18 2HG ARG 18 -3.347 -3.264 -9.016 128 HG3 ARG 18 1HG ARG 18 -3.419 -2.382 -7.496 129 HD2 ARG 18 2HD ARG 18 -3.523 -0.815 -9.289 130 HD3 ARG 18 1HD ARG 18 -1.964 -0.646 -8.488 131 HE ARG 18 HE ARG 18 -1.300 -2.280 -10.445 132 HH11 ARG 18 1HH1 ARG 18 -3.363 0.605 -10.603 133 HH12 ARG 18 2HH1 ARG 18 -2.937 0.996 -12.193 134 HH21 ARG 18 1HH2 ARG 18 -0.746 -1.755 -12.665 135 HH22 ARG 18 2HH2 ARG 18 -1.453 -0.387 -13.407 136 H LYS 19 H LYS 19 1.221 -2.096 -5.299 137 HA LYS 19 HA LYS 19 2.313 -4.757 -5.595 138 HB2 LYS 19 2HB LYS 19 3.664 -2.136 -5.173 139 HB3 LYS 19 1HB LYS 19 4.490 -3.669 -4.940 140 HG2 LYS 19 2HG LYS 19 3.157 -2.795 -7.473 141 HG3 LYS 19 1HG LYS 19 4.893 -2.688 -7.100 142 HD2 LYS 19 2HD LYS 19 4.962 -5.137 -6.858 143 HD3 LYS 19 1HD LYS 19 3.254 -5.221 -7.291 144 HE2 LYS 19 2HE LYS 19 4.613 -5.735 -9.216 145 HE3 LYS 19 1HE LYS 19 3.767 -4.210 -9.462 146 HZ1 LYS 19 3HZ LYS 19 6.626 -4.532 -8.710 147 HZ2 LYS 19 1HZ LYS 19 5.838 -3.045 -8.855 148 HZ3 LYS 19 2HZ LYS 19 6.021 -4.033 -10.200 149 H CYS 20 H CYS 20 3.136 -5.838 -4.123 150 HA CYS 20 HA CYS 20 2.692 -5.104 -1.305 151 HB2 CYS 20 2HB CYS 20 2.017 -7.728 -2.642 152 HB3 CYS 20 1HB CYS 20 1.953 -7.442 -0.906 153 H ASN 21 H ASN 21 4.326 -5.738 0.028 154 HA ASN 21 HA ASN 21 6.602 -7.017 -1.308 155 HB2 ASN 21 2HB ASN 21 8.065 -6.116 0.384 156 HB3 ASN 21 1HB ASN 21 7.002 -4.824 -0.137 157 HD21 ASN 21 1HD2 ASN 21 5.510 -3.974 1.361 158 HD22 ASN 21 2HD2 ASN 21 5.653 -4.294 3.034 159 H ARG 22 H ARG 22 8.007 -8.182 0.581 160 HA ARG 22 HA ARG 22 6.824 -10.663 0.941 161 HB2 ARG 22 2HB ARG 22 8.735 -11.187 2.432 162 HB3 ARG 22 1HB ARG 22 9.172 -10.523 0.871 163 HG2 ARG 22 2HG ARG 22 9.397 -8.285 2.034 164 HG3 ARG 22 1HG ARG 22 9.263 -9.177 3.551 165 HD2 ARG 22 2HD ARG 22 11.608 -8.832 2.891 166 HD3 ARG 22 1HD ARG 22 11.155 -10.543 2.958 167 HE ARG 22 HE ARG 22 10.737 -9.589 0.360 168 HH11 ARG 22 1HH1 ARG 22 13.489 -10.295 2.470 169 HH12 ARG 22 2HH1 ARG 22 14.489 -10.821 1.193 170 HH21 ARG 22 1HH2 ARG 22 12.079 -10.298 -1.342 171 HH22 ARG 22 2HH2 ARG 22 13.688 -10.771 -1.043 172 H PHE 23 H PHE 23 6.689 -7.951 3.128 173 HA PHE 23 HA PHE 23 5.701 -9.535 5.317 174 HB2 PHE 23 2HB PHE 23 5.941 -6.566 4.876 175 HB3 PHE 23 1HB PHE 23 5.186 -7.245 6.315 176 HD1 PHE 23 2HD PHE 23 8.324 -6.874 4.462 177 HD2 PHE 23 1HD PHE 23 6.457 -8.321 7.985 178 HE1 PHE 23 2HE PHE 23 10.528 -7.182 5.499 179 HE2 PHE 23 1HE PHE 23 8.629 -8.632 9.026 180 HZ PHE 23 HZ PHE 23 10.692 -8.063 7.784 181 H ASN 24 H ASN 24 4.419 -8.768 2.471 182 HA ASN 24 HA ASN 24 2.403 -8.867 1.520 183 HB2 ASN 24 2HB ASN 24 1.488 -9.675 4.283 184 HB3 ASN 24 1HB ASN 24 0.374 -9.520 2.934 185 HD21 ASN 24 1HD2 ASN 24 3.657 -10.822 2.718 186 HD22 ASN 24 2HD2 ASN 24 3.172 -12.426 2.336 187 H LYS 25 H LYS 25 3.509 -6.582 3.004 188 HA LYS 25 HA LYS 25 1.129 -4.985 3.399 189 HB2 LYS 25 2HB LYS 25 4.007 -4.485 4.026 190 HB3 LYS 25 1HB LYS 25 2.733 -3.292 4.251 191 HG2 LYS 25 2HG LYS 25 1.614 -4.781 5.829 192 HG3 LYS 25 1HG LYS 25 2.889 -5.984 5.594 193 HD2 LYS 25 2HD LYS 25 4.525 -4.385 6.339 194 HD3 LYS 25 1HD LYS 25 3.251 -3.192 6.592 195 HE2 LYS 25 2HE LYS 25 3.442 -5.843 8.012 196 HE3 LYS 25 1HE LYS 25 3.968 -4.315 8.706 197 HZ1 LYS 25 3HZ LYS 25 1.193 -5.082 7.969 198 HZ2 LYS 25 1HZ LYS 25 1.636 -3.530 8.487 199 HZ3 LYS 25 2HZ LYS 25 1.823 -4.840 9.512 200 H CYS 26 H CYS 26 1.150 -2.862 2.502 201 HA CYS 26 HA CYS 26 1.498 -3.021 -0.331 202 HB2 CYS 26 2HB CYS 26 -0.439 -1.910 0.653 203 HB3 CYS 26 1HB CYS 26 0.603 -0.743 1.450 204 H VAL 27 H VAL 27 2.912 -1.908 -1.652 205 HA VAL 27 HA VAL 27 4.772 -0.084 -0.377 206 HB VAL 27 HB VAL 27 6.620 -0.831 -1.991 207 HG11 VAL 27 1HG1 VAL 27 5.721 -2.803 0.086 208 HG12 VAL 27 2HG1 VAL 27 6.685 -1.357 0.379 209 HG13 VAL 27 3HG1 VAL 27 7.350 -2.682 -0.581 210 HG21 VAL 27 3HG2 VAL 27 4.862 -3.271 -2.234 211 HG22 VAL 27 1HG2 VAL 27 6.528 -3.149 -2.796 212 HG23 VAL 27 2HG2 VAL 27 5.274 -2.150 -3.533 213 H LEU 28 H LEU 28 4.946 1.759 -1.226 214 HA LEU 28 HA LEU 28 3.168 2.494 -3.335 215 HB2 LEU 28 2HB LEU 28 5.049 4.077 -1.594 216 HB3 LEU 28 1HB LEU 28 4.121 4.820 -2.869 217 HG LEU 28 HG LEU 28 2.029 4.121 -1.694 218 HD11 LEU 28 1HD1 LEU 28 2.125 3.408 0.616 219 HD12 LEU 28 2HD1 LEU 28 3.883 3.335 0.535 220 HD13 LEU 28 3HD1 LEU 28 2.910 2.227 -0.434 221 HD21 LEU 28 3HD2 LEU 28 2.944 6.348 -1.425 222 HD22 LEU 28 1HD2 LEU 28 3.941 5.793 -0.082 223 HD23 LEU 28 2HD2 LEU 28 2.182 5.795 0.068 224 HA PRO 29 HA PRO 29 6.045 2.761 -6.713 225 HB2 PRO 29 2HB PRO 29 5.029 4.881 -8.093 226 HB3 PRO 29 1HB PRO 29 4.252 3.294 -8.098 227 HG2 PRO 29 2HG PRO 29 3.578 5.730 -6.498 228 HG3 PRO 29 1HG PRO 29 2.493 4.590 -7.314 229 HD2 PRO 29 2HD PRO 29 2.955 4.510 -4.654 230 HD3 PRO 29 1HD PRO 29 2.611 3.055 -5.605 231 H GLU 30 H GLU 30 7.626 4.284 -7.689 232 HA GLU 30 HA GLU 30 8.865 5.707 -5.606 233 HB2 GLU 30 2HB GLU 30 9.575 5.524 -8.520 234 HB3 GLU 30 1HB GLU 30 10.557 6.367 -7.326 235 HG2 GLU 30 2HG GLU 30 9.896 3.434 -7.393 236 HG3 GLU 30 1HG GLU 30 11.468 4.186 -7.673 237 H THR 31 H THR 31 6.961 6.759 -8.359 238 HA THR 31 HA THR 31 7.507 9.514 -7.955 239 HB THR 31 HB THR 31 5.027 8.366 -9.272 240 HG1 THR 31 1HG THR 31 7.714 8.379 -10.036 241 HG21 THR 31 3HG2 THR 31 5.157 10.407 -10.619 242 HG22 THR 31 1HG2 THR 31 6.622 10.888 -9.760 243 HG23 THR 31 2HG2 THR 31 5.088 10.803 -8.900 244 H GLY 32 H GLY 32 5.022 7.308 -6.819 245 HA2 GLY 32 2HA GLY 32 3.707 7.452 -4.897 246 HA3 GLY 32 1HA GLY 32 4.362 9.059 -4.606 247 H GLY 33 H GLY 33 2.206 9.777 -4.119 248 HA2 GLY 33 2HA GLY 33 0.986 11.423 -5.741 249 HA3 GLY 33 1HA GLY 33 0.418 9.912 -6.432 250 H GLY 34 H GLY 34 0.876 10.328 -2.978 251 HA2 GLY 34 2HA GLY 34 -0.624 10.505 -1.283 252 HA3 GLY 34 1HA GLY 34 -1.825 11.054 -2.445
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