NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7425 | 1kio | 5273 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1HT GLU 1 6.957 3.911 5.107 2 2H GLU 1 2HT GLU 1 7.330 5.234 6.105 3 3H GLU 1 3HT GLU 1 5.813 5.141 5.344 4 HA GLU 1 HA GLU 1 6.752 3.154 7.347 5 1HB GLU 1 2HB GLU 1 6.066 5.899 7.632 6 2HB GLU 1 1HB GLU 1 4.701 4.965 8.244 7 1HG GLU 1 2HG GLU 1 6.688 3.558 9.374 8 2HG GLU 1 1HG GLU 1 7.497 5.121 9.261 9 H VAL 2 H VAL 2 5.707 1.531 5.961 10 HA VAL 2 HA VAL 2 2.817 1.879 5.399 11 HB VAL 2 HB VAL 2 5.026 -0.022 4.656 12 1HG1 VAL 2 1HG1 VAL 2 3.086 -1.443 5.299 13 2HG1 VAL 2 2HG1 VAL 2 3.408 -1.508 3.566 14 3HG1 VAL 2 3HG1 VAL 2 2.072 -0.533 4.179 15 1HG2 VAL 2 1HG2 VAL 2 4.888 1.643 3.057 16 2HG2 VAL 2 2HG2 VAL 2 3.163 1.899 3.323 17 3HG2 VAL 2 3HG2 VAL 2 3.715 0.507 2.391 18 H THR 3 H THR 3 1.479 1.421 7.107 19 HA THR 3 HA THR 3 2.254 -0.720 9.035 20 HB THR 3 HB THR 3 1.669 1.522 9.882 21 HG1 THR 3 1HG THR 3 0.972 -0.485 10.955 22 1HG2 THR 3 1HG2 THR 3 -0.796 1.029 8.225 23 2HG2 THR 3 2HG2 THR 3 0.244 2.452 8.264 24 3HG2 THR 3 3HG2 THR 3 -0.849 2.123 9.608 25 H CYS 4 H CYS 4 1.124 -1.108 6.231 26 HA CYS 4 HA CYS 4 -1.597 -2.131 6.667 27 1HB CYS 4 2HB CYS 4 -1.297 -1.210 4.558 28 2HB CYS 4 1HB CYS 4 0.364 -1.783 4.422 29 H GLU 5 H GLU 5 -2.068 -4.423 5.977 30 HA GLU 5 HA GLU 5 -0.156 -6.275 7.295 31 1HB GLU 5 2HB GLU 5 -2.781 -6.000 7.564 32 2HB GLU 5 1HB GLU 5 -2.820 -7.044 6.142 33 1HG GLU 5 2HG GLU 5 -2.908 -8.448 8.118 34 2HG GLU 5 1HG GLU 5 -1.329 -8.656 7.360 35 HA PRO 6 HA PRO 6 1.313 -7.561 3.321 36 1HB PRO 6 2HB PRO 6 2.667 -9.788 4.161 37 2HB PRO 6 1HB PRO 6 3.281 -8.138 4.384 38 1HG PRO 6 2HG PRO 6 1.915 -9.930 6.331 39 2HG PRO 6 1HG PRO 6 3.274 -8.819 6.578 40 1HD PRO 6 2HD PRO 6 0.718 -8.239 7.313 41 2HD PRO 6 1HD PRO 6 1.907 -6.999 6.852 42 H GLY 7 H GLY 7 -0.053 -8.541 1.890 43 1HA GLY 7 2HA GLY 7 -0.687 -10.958 1.216 44 2HA GLY 7 1HA GLY 7 -1.518 -10.988 2.775 45 H THR 8 H THR 8 -1.349 -8.238 0.531 46 HA THR 8 HA THR 8 -3.959 -8.638 -0.632 47 HB THR 8 HB THR 8 -4.855 -8.301 1.532 48 HG1 THR 8 1HG THR 8 -5.873 -6.921 0.137 49 1HG2 THR 8 1HG2 THR 8 -3.357 -7.577 3.067 50 2HG2 THR 8 2HG2 THR 8 -3.875 -5.956 2.604 51 3HG2 THR 8 3HG2 THR 8 -2.442 -6.668 1.863 52 H THR 9 H THR 9 -4.818 -6.396 -1.435 53 HA THR 9 HA THR 9 -2.571 -4.524 -2.052 54 HB THR 9 HB THR 9 -2.837 -6.167 -3.888 55 HG1 THR 9 1HG THR 9 -4.067 -3.876 -4.888 56 1HG2 THR 9 1HG2 THR 9 -4.889 -6.978 -4.315 57 2HG2 THR 9 2HG2 THR 9 -5.331 -5.406 -4.982 58 3HG2 THR 9 3HG2 THR 9 -5.622 -5.753 -3.277 59 H PHE 10 H PHE 10 -3.309 -2.338 -2.267 60 HA PHE 10 HA PHE 10 -6.224 -1.827 -2.240 61 1HB PHE 10 2HB PHE 10 -5.881 -0.476 -0.088 62 2HB PHE 10 1HB PHE 10 -5.829 -2.231 0.081 63 HD1 PHE 10 1HD PHE 10 -3.499 -3.372 -0.026 64 HD2 PHE 10 2HD PHE 10 -4.066 0.838 0.608 65 HE1 PHE 10 1HE PHE 10 -1.207 -3.201 0.908 66 HE2 PHE 10 2HE PHE 10 -1.776 1.009 1.542 67 HZ PHE 10 HZ PHE 10 -0.343 -1.009 1.692 68 H LYS 11 H LYS 11 -6.729 0.333 -2.810 69 HA LYS 11 HA LYS 11 -4.633 1.771 -4.263 70 1HB LYS 11 2HB LYS 11 -7.056 1.438 -4.936 71 2HB LYS 11 1HB LYS 11 -7.494 2.562 -3.650 72 1HG LYS 11 2HG LYS 11 -6.698 4.382 -4.781 73 2HG LYS 11 1HG LYS 11 -5.362 3.480 -5.497 74 1HD LYS 11 2HD LYS 11 -7.002 2.346 -7.010 75 2HD LYS 11 1HD LYS 11 -8.267 3.386 -6.357 76 1HE LYS 11 2HE LYS 11 -5.779 4.294 -7.848 77 2HE LYS 11 1HE LYS 11 -7.459 4.412 -8.409 78 1HZ LYS 11 1HZ LYS 11 -7.941 5.718 -6.380 79 2HZ LYS 11 2HZ LYS 11 -6.847 6.493 -7.423 80 3HZ LYS 11 3HZ LYS 11 -6.284 5.725 -6.016 81 H ASP 12 H ASP 12 -3.231 2.372 -2.423 82 HA ASP 12 HA ASP 12 -4.393 4.402 -0.563 83 1HB ASP 12 2HB ASP 12 -2.960 2.216 -0.017 84 2HB ASP 12 1HB ASP 12 -1.612 3.306 -0.366 85 H LYS 13 H LYS 13 -2.674 6.200 -0.040 86 HA LYS 13 HA LYS 13 -1.622 8.136 -0.925 87 1HB LYS 13 2HB LYS 13 -0.168 6.084 -2.611 88 2HB LYS 13 1HB LYS 13 0.482 7.559 -1.893 89 1HG LYS 13 2HG LYS 13 -0.629 5.834 0.162 90 2HG LYS 13 1HG LYS 13 0.567 4.968 -0.797 91 1HD LYS 13 2HD LYS 13 2.024 7.100 -0.504 92 2HD LYS 13 1HD LYS 13 0.920 7.485 0.818 93 1HE LYS 13 2HE LYS 13 1.427 4.929 1.473 94 2HE LYS 13 1HE LYS 13 2.942 5.297 0.622 95 1HZ LYS 13 1HZ LYS 13 2.831 7.482 1.949 96 2HZ LYS 13 2HZ LYS 13 3.357 6.078 2.749 97 3HZ LYS 13 3HZ LYS 13 1.770 6.642 2.972 98 H CYS 14 H CYS 14 -0.440 7.761 -3.805 99 HA CYS 14 HA CYS 14 -2.998 8.400 -5.227 100 1HB CYS 14 2HB CYS 14 -0.136 9.336 -5.446 101 2HB CYS 14 1HB CYS 14 -1.270 9.583 -6.774 102 H ASN 15 H ASN 15 -1.600 5.725 -4.760 103 HA ASN 15 HA ASN 15 -1.932 4.684 -7.476 104 1HB ASN 15 2HB ASN 15 0.445 3.858 -7.571 105 2HB ASN 15 1HB ASN 15 0.323 5.620 -7.626 106 1HD2 ASN 15 1HD2 ASN 15 1.339 6.800 -5.952 107 2HD2 ASN 15 2HD2 ASN 15 2.094 6.075 -4.606 108 H THR 16 H THR 16 -1.993 2.333 -7.439 109 HA THR 16 HA THR 16 -3.063 1.087 -5.162 110 HB THR 16 HB THR 16 -1.498 -0.779 -6.699 111 HG1 THR 16 1HG THR 16 -1.698 -0.045 -8.671 112 1HG2 THR 16 1HG2 THR 16 -4.002 -1.021 -7.659 113 2HG2 THR 16 2HG2 THR 16 -4.340 -0.081 -6.205 114 3HG2 THR 16 3HG2 THR 16 -3.521 -1.638 -6.078 115 H CYS 17 H CYS 17 -1.843 -0.954 -4.148 116 HA CYS 17 HA CYS 17 1.016 -0.694 -3.703 117 1HB CYS 17 2HB CYS 17 -0.974 0.620 -1.931 118 2HB CYS 17 1HB CYS 17 0.309 -0.271 -1.109 119 H ARG 18 H ARG 18 0.819 -2.980 -4.226 120 HA ARG 18 HA ARG 18 -0.856 -4.804 -2.749 121 1HB ARG 18 2HB ARG 18 0.015 -5.358 -4.931 122 2HB ARG 18 1HB ARG 18 1.673 -5.085 -4.398 123 1HG ARG 18 2HG ARG 18 1.752 -7.304 -3.977 124 2HG ARG 18 1HG ARG 18 0.723 -6.964 -2.586 125 1HD ARG 18 2HD ARG 18 -0.472 -8.640 -3.769 126 2HD ARG 18 1HD ARG 18 -1.247 -7.134 -4.299 127 HE ARG 18 HE ARG 18 0.851 -8.581 -5.869 128 1HH1 ARG 18 1HH2 ARG 18 -2.024 -8.631 -6.741 129 2HH1 ARG 18 2HH2 ARG 18 -2.067 -7.355 -7.912 130 1HH2 ARG 18 1HH1 ARG 18 0.924 -5.942 -6.870 131 2HH2 ARG 18 2HH1 ARG 18 -0.396 -5.834 -7.986 132 H CYS 19 H CYS 19 -0.562 -4.579 -0.500 133 HA CYS 19 HA CYS 19 1.682 -4.117 1.027 134 1HB CYS 19 2HB CYS 19 -0.887 -5.005 1.414 135 2HB CYS 19 1HB CYS 19 0.053 -6.404 1.940 136 H GLY 20 H GLY 20 3.695 -5.020 0.895 137 1HA GLY 20 2HA GLY 20 4.399 -7.362 -0.486 138 2HA GLY 20 1HA GLY 20 5.372 -6.661 0.812 139 H SER 21 H SER 21 5.689 -9.176 1.008 140 HA SER 21 HA SER 21 3.494 -10.409 2.611 141 1HB SER 21 2HB SER 21 5.171 -12.412 2.251 142 2HB SER 21 1HB SER 21 4.176 -11.858 0.907 143 HG SER 21 HG SER 21 6.524 -12.104 0.534 144 H ASP 22 H ASP 22 6.151 -8.536 3.193 145 HA ASP 22 HA ASP 22 6.912 -10.026 5.680 146 1HB ASP 22 2HB ASP 22 8.378 -7.758 4.309 147 2HB ASP 22 1HB ASP 22 9.029 -8.923 5.469 148 H GLY 23 H GLY 23 5.497 -7.097 4.429 149 1HA GLY 23 2HA GLY 23 4.106 -5.678 5.825 150 2HA GLY 23 1HA GLY 23 5.065 -6.173 7.225 151 H LYS 24 H LYS 24 4.518 -3.440 6.486 152 HA LYS 24 HA LYS 24 5.669 -1.392 6.222 153 1HB LYS 24 2HB LYS 24 7.059 -3.121 7.885 154 2HB LYS 24 1HB LYS 24 8.294 -2.607 6.735 155 1HG LYS 24 2HG LYS 24 8.333 -0.489 7.546 156 2HG LYS 24 1HG LYS 24 6.575 -0.412 7.667 157 1HD LYS 24 2HD LYS 24 7.104 -0.386 9.915 158 2HD LYS 24 1HD LYS 24 7.004 -2.130 9.665 159 1HE LYS 24 2HE LYS 24 9.334 -2.398 9.667 160 2HE LYS 24 1HE LYS 24 9.625 -0.700 9.237 161 1HZ LYS 24 1HZ LYS 24 8.633 -0.063 11.379 162 2HZ LYS 24 2HZ LYS 24 10.032 -1.007 11.582 163 3HZ LYS 24 3HZ LYS 24 8.496 -1.701 11.800 164 H SER 25 H SER 25 5.382 -3.113 3.832 165 HA SER 25 HA SER 25 7.270 -1.750 2.089 166 1HB SER 25 2HB SER 25 7.659 -4.638 2.887 167 2HB SER 25 1HB SER 25 8.286 -4.018 1.359 168 HG SER 25 HG SER 25 9.345 -2.376 2.637 169 H ALA 26 H ALA 26 5.893 -1.360 0.398 170 HA ALA 26 HA ALA 26 4.178 -3.623 -0.569 171 1HB ALA 26 1HB ALA 26 3.274 -0.833 -0.991 172 2HB ALA 26 2HB ALA 26 3.325 -1.355 0.693 173 3HB ALA 26 3HB ALA 26 2.351 -2.245 -0.476 174 H ALA 27 H ALA 27 3.653 -3.438 -2.919 175 HA ALA 27 HA ALA 27 5.994 -2.542 -4.460 176 1HB ALA 27 1HB ALA 27 3.673 -4.320 -4.720 177 2HB ALA 27 2HB ALA 27 5.283 -4.471 -5.428 178 3HB ALA 27 3HB ALA 27 4.064 -3.466 -6.212 179 H CYS 28 H CYS 28 2.479 -1.978 -4.700 180 HA CYS 28 HA CYS 28 1.282 -0.082 -5.425 181 1HB CYS 28 2HB CYS 28 3.933 1.342 -5.069 182 2HB CYS 28 1HB CYS 28 2.315 2.037 -4.940 183 H THR 29 H THR 29 0.772 0.622 -7.482 184 HA THR 29 HA THR 29 2.274 -0.250 -9.746 185 HB THR 29 HB THR 29 0.667 1.695 -10.726 186 HG1 THR 29 1HG THR 29 -0.512 2.491 -9.209 187 1HG2 THR 29 1HG2 THR 29 -0.092 -1.024 -9.637 188 2HG2 THR 29 2HG2 THR 29 0.364 -0.616 -11.292 189 3HG2 THR 29 3HG2 THR 29 -1.173 -0.053 -10.636 190 H ARG 30 H ARG 30 1.986 2.987 -8.266 191 HA ARG 30 HA ARG 30 4.656 3.691 -9.321 192 1HB ARG 30 2HB ARG 30 3.786 5.606 -10.580 193 2HB ARG 30 1HB ARG 30 3.012 4.123 -11.148 194 1HG ARG 30 2HG ARG 30 0.978 4.636 -10.135 195 2HG ARG 30 1HG ARG 30 1.724 5.692 -8.935 196 1HD ARG 30 2HD ARG 30 1.464 7.505 -10.271 197 2HD ARG 30 1HD ARG 30 2.194 6.662 -11.650 198 HE ARG 30 HE ARG 30 -0.222 5.439 -11.534 199 1HH1 ARG 30 1HH2 ARG 30 -0.488 8.320 -10.062 200 2HH1 ARG 30 2HH2 ARG 30 -1.439 9.110 -11.274 201 1HH2 ARG 30 1HH1 ARG 30 -0.944 6.636 -13.653 202 2HH2 ARG 30 2HH1 ARG 30 -1.697 8.158 -13.308 203 H MET 31 H MET 31 4.316 6.511 -8.940 204 HA MET 31 HA MET 31 3.444 6.809 -6.109 205 1HB MET 31 2HB MET 31 6.195 6.729 -7.193 206 2HB MET 31 1HB MET 31 5.872 8.067 -6.092 207 1HG MET 31 2HG MET 31 4.684 5.706 -4.995 208 2HG MET 31 1HG MET 31 6.350 5.332 -5.435 209 1HE MET 31 1HE MET 31 7.703 8.421 -5.057 210 2HE MET 31 2HE MET 31 8.250 6.747 -5.033 211 3HE MET 31 3HE MET 31 8.521 7.776 -3.628 212 H ALA 32 H ALA 32 1.815 8.243 -7.045 213 HA ALA 32 HA ALA 32 2.915 10.779 -8.208 214 1HB ALA 32 1HB ALA 32 1.117 10.743 -9.625 215 2HB ALA 32 2HB ALA 32 0.025 10.140 -8.377 216 3HB ALA 32 3HB ALA 32 1.095 9.025 -9.227 217 H CYS 33 H CYS 33 2.375 9.855 -5.257 218 HA CYS 33 HA CYS 33 0.510 12.081 -4.528 219 1HB CYS 33 2HB CYS 33 0.698 9.353 -3.796 220 2HB CYS 33 1HB CYS 33 1.178 10.278 -2.375 221 HA PRO 34 HA PRO 34 4.571 13.657 -3.216 222 1HB PRO 34 2HB PRO 34 3.961 16.270 -3.732 223 2HB PRO 34 1HB PRO 34 4.534 15.147 -4.981 224 1HG PRO 34 2HG PRO 34 1.776 16.092 -4.420 225 2HG PRO 34 1HG PRO 34 2.565 15.761 -5.969 226 1HD PRO 34 2HD PRO 34 0.797 14.056 -4.741 227 2HD PRO 34 1HD PRO 34 2.042 13.545 -5.906 228 H GLN 35 H GLN 35 2.754 12.849 -1.288 229 HA GLN 35 HA GLN 35 2.107 15.280 0.325 230 1HB GLN 35 2HB GLN 35 0.938 12.668 -0.173 231 2HB GLN 35 1HB GLN 35 1.140 12.941 1.557 232 1HG GLN 35 2HG GLN 35 -0.837 14.059 1.371 233 2HG GLN 35 1HG GLN 35 0.176 15.370 0.764 234 1HE2 GLN 35 1HE2 GLN 35 -0.984 12.294 -0.739 235 2HE2 GLN 35 2HE2 GLN 35 -1.637 13.045 -2.115 Start of MODEL 2 1 1H GLU 1 1HT GLU 1 9.380 3.120 4.085 2 2H GLU 1 2HT GLU 1 8.083 2.673 3.082 3 3H GLU 1 3HT GLU 1 8.777 1.535 4.135 4 HA GLU 1 HA GLU 1 7.898 2.589 6.044 5 1HB GLU 1 2HB GLU 1 8.495 4.838 5.414 6 2HB GLU 1 1HB GLU 1 7.389 4.804 4.040 7 1HG GLU 1 2HG GLU 1 5.477 4.572 5.610 8 2HG GLU 1 1HG GLU 1 6.599 4.687 6.966 9 H VAL 2 H VAL 2 6.536 0.699 5.756 10 HA VAL 2 HA VAL 2 3.898 1.320 4.472 11 HB VAL 2 HB VAL 2 5.768 -1.018 4.274 12 1HG1 VAL 2 1HG1 VAL 2 3.911 -2.229 5.091 13 2HG1 VAL 2 2HG1 VAL 2 3.715 -2.301 3.339 14 3HG1 VAL 2 3HG1 VAL 2 2.755 -1.166 4.288 15 1HG2 VAL 2 1HG2 VAL 2 4.198 -0.750 1.982 16 2HG2 VAL 2 2HG2 VAL 2 5.825 -0.106 2.205 17 3HG2 VAL 2 3HG2 VAL 2 4.421 0.908 2.541 18 H THR 3 H THR 3 2.071 0.566 5.631 19 HA THR 3 HA THR 3 2.609 -0.714 8.288 20 HB THR 3 HB THR 3 2.276 1.612 8.716 21 HG1 THR 3 1HG THR 3 -0.166 1.478 9.323 22 1HG2 THR 3 1HG2 THR 3 0.257 2.794 7.723 23 2HG2 THR 3 2HG2 THR 3 0.066 1.398 6.661 24 3HG2 THR 3 3HG2 THR 3 1.528 2.379 6.573 25 H CYS 4 H CYS 4 1.090 -1.002 5.357 26 HA CYS 4 HA CYS 4 -1.543 -1.927 6.139 27 1HB CYS 4 2HB CYS 4 -1.514 -2.781 3.770 28 2HB CYS 4 1HB CYS 4 -1.057 -1.081 3.910 29 H GLU 5 H GLU 5 -2.177 -4.284 5.526 30 HA GLU 5 HA GLU 5 -0.404 -6.110 7.021 31 1HB GLU 5 2HB GLU 5 -3.218 -6.000 6.037 32 2HB GLU 5 1HB GLU 5 -2.517 -7.603 6.260 33 1HG GLU 5 2HG GLU 5 -2.251 -7.323 8.550 34 2HG GLU 5 1HG GLU 5 -2.160 -5.566 8.429 35 HA PRO 6 HA PRO 6 1.417 -7.791 3.383 36 1HB PRO 6 2HB PRO 6 2.242 -10.190 4.414 37 2HB PRO 6 1HB PRO 6 3.050 -8.650 4.772 38 1HG PRO 6 2HG PRO 6 1.113 -10.199 6.418 39 2HG PRO 6 1HG PRO 6 2.549 -9.289 6.918 40 1HD PRO 6 2HD PRO 6 0.000 -8.352 7.182 41 2HD PRO 6 1HD PRO 6 1.421 -7.299 6.994 42 H GLY 7 H GLY 7 -0.102 -8.349 1.829 43 1HA GLY 7 2HA GLY 7 -1.020 -10.293 0.616 44 2HA GLY 7 1HA GLY 7 -1.467 -10.985 2.180 45 H THR 8 H THR 8 -2.055 -7.908 0.413 46 HA THR 8 HA THR 8 -4.949 -8.325 0.519 47 HB THR 8 HB THR 8 -3.663 -6.176 2.233 48 HG1 THR 8 1HG THR 8 -4.656 -7.521 3.910 49 1HG2 THR 8 1HG2 THR 8 -5.700 -5.227 2.033 50 2HG2 THR 8 2HG2 THR 8 -6.306 -6.570 3.001 51 3HG2 THR 8 3HG2 THR 8 -6.366 -6.655 1.240 52 H THR 9 H THR 9 -2.235 -6.105 -0.024 53 HA THR 9 HA THR 9 -1.954 -4.334 -1.545 54 HB THR 9 HB THR 9 -2.471 -6.531 -2.888 55 HG1 THR 9 1HG THR 9 -2.071 -5.384 -4.705 56 1HG2 THR 9 1HG2 THR 9 -4.763 -6.748 -3.049 57 2HG2 THR 9 2HG2 THR 9 -4.437 -5.846 -4.524 58 3HG2 THR 9 3HG2 THR 9 -5.041 -5.009 -3.101 59 H PHE 10 H PHE 10 -3.157 -2.498 -2.684 60 HA PHE 10 HA PHE 10 -5.964 -2.053 -2.324 61 1HB PHE 10 2HB PHE 10 -5.700 -0.492 -0.313 62 2HB PHE 10 1HB PHE 10 -5.521 -2.211 0.034 63 HD1 PHE 10 1HD PHE 10 -3.564 -3.003 1.073 64 HD2 PHE 10 2HD PHE 10 -3.527 0.820 -0.887 65 HE1 PHE 10 1HE PHE 10 -1.268 -2.591 1.916 66 HE2 PHE 10 2HE PHE 10 -1.232 1.232 -0.041 67 HZ PHE 10 HZ PHE 10 -0.100 -0.474 1.359 68 H LYS 11 H LYS 11 -6.507 0.327 -2.510 69 HA LYS 11 HA LYS 11 -4.474 1.729 -4.190 70 1HB LYS 11 2HB LYS 11 -6.725 1.171 -5.118 71 2HB LYS 11 1HB LYS 11 -7.462 2.151 -3.850 72 1HG LYS 11 2HG LYS 11 -5.899 4.043 -4.721 73 2HG LYS 11 1HG LYS 11 -5.763 3.046 -6.170 74 1HD LYS 11 2HD LYS 11 -7.831 3.625 -6.866 75 2HD LYS 11 1HD LYS 11 -8.528 3.279 -5.283 76 1HE LYS 11 2HE LYS 11 -8.502 5.475 -4.677 77 2HE LYS 11 1HE LYS 11 -6.869 5.718 -5.331 78 1HZ LYS 11 1HZ LYS 11 -9.460 5.859 -6.709 79 2HZ LYS 11 2HZ LYS 11 -8.100 5.340 -7.585 80 3HZ LYS 11 3HZ LYS 11 -8.109 6.874 -6.856 81 H ASP 12 H ASP 12 -3.267 2.625 -2.367 82 HA ASP 12 HA ASP 12 -4.796 4.603 -0.714 83 1HB ASP 12 2HB ASP 12 -3.067 2.489 -0.083 84 2HB ASP 12 1HB ASP 12 -2.086 3.945 0.126 85 H LYS 13 H LYS 13 -3.106 6.398 0.050 86 HA LYS 13 HA LYS 13 -1.967 8.341 -0.669 87 1HB LYS 13 2HB LYS 13 -0.470 6.195 -2.213 88 2HB LYS 13 1HB LYS 13 0.179 7.750 -1.675 89 1HG LYS 13 2HG LYS 13 -1.043 6.131 0.467 90 2HG LYS 13 1HG LYS 13 0.385 5.403 -0.267 91 1HD LYS 13 2HD LYS 13 1.481 7.728 0.018 92 2HD LYS 13 1HD LYS 13 0.147 8.075 1.116 93 1HE LYS 13 2HE LYS 13 0.970 6.695 2.747 94 2HE LYS 13 1HE LYS 13 1.517 5.481 1.574 95 1HZ LYS 13 1HZ LYS 13 3.446 6.536 2.457 96 2HZ LYS 13 2HZ LYS 13 2.800 8.087 2.195 97 3HZ LYS 13 3HZ LYS 13 3.242 7.113 0.875 98 H CYS 14 H CYS 14 -0.956 7.065 -3.712 99 HA CYS 14 HA CYS 14 -3.246 8.365 -5.118 100 1HB CYS 14 2HB CYS 14 -0.277 8.821 -5.573 101 2HB CYS 14 1HB CYS 14 -1.581 9.561 -6.506 102 H ASN 15 H ASN 15 -2.004 5.518 -4.675 103 HA ASN 15 HA ASN 15 -2.622 4.504 -7.319 104 1HB ASN 15 2HB ASN 15 -0.201 3.701 -7.687 105 2HB ASN 15 1HB ASN 15 -0.508 5.421 -7.945 106 1HD2 ASN 15 1HD2 ASN 15 1.599 6.174 -7.331 107 2HD2 ASN 15 2HD2 ASN 15 2.203 6.020 -5.744 108 H THR 16 H THR 16 -2.451 2.139 -7.375 109 HA THR 16 HA THR 16 -3.181 0.781 -5.024 110 HB THR 16 HB THR 16 -1.580 -0.659 -7.080 111 HG1 THR 16 1HG THR 16 -2.707 0.040 -8.708 112 1HG2 THR 16 1HG2 THR 16 -4.005 -1.023 -5.432 113 2HG2 THR 16 2HG2 THR 16 -2.805 -2.206 -5.950 114 3HG2 THR 16 3HG2 THR 16 -4.088 -1.711 -7.053 115 H CYS 17 H CYS 17 -1.635 -1.279 -4.393 116 HA CYS 17 HA CYS 17 1.176 -0.964 -4.255 117 1HB CYS 17 2HB CYS 17 -0.167 0.999 -2.810 118 2HB CYS 17 1HB CYS 17 0.283 -0.188 -1.578 119 H ARG 18 H ARG 18 1.084 -3.231 -4.377 120 HA ARG 18 HA ARG 18 -0.476 -4.921 -2.674 121 1HB ARG 18 2HB ARG 18 1.117 -5.148 -4.888 122 2HB ARG 18 1HB ARG 18 2.136 -5.890 -3.656 123 1HG ARG 18 2HG ARG 18 -0.693 -6.663 -4.408 124 2HG ARG 18 1HG ARG 18 0.764 -7.638 -4.582 125 1HD ARG 18 2HD ARG 18 0.741 -6.951 -1.871 126 2HD ARG 18 1HD ARG 18 -0.950 -7.330 -2.248 127 HE ARG 18 HE ARG 18 1.233 -9.172 -3.124 128 1HH1 ARG 18 1HH2 ARG 18 -2.023 -9.064 -3.037 129 2HH1 ARG 18 2HH2 ARG 18 -2.268 -10.450 -2.029 130 1HH2 ARG 18 1HH1 ARG 18 1.073 -10.720 -1.139 131 2HH2 ARG 18 2HH1 ARG 18 -0.513 -11.389 -0.952 132 H CYS 19 H CYS 19 -0.245 -4.910 -0.473 133 HA CYS 19 HA CYS 19 2.019 -3.992 0.989 134 1HB CYS 19 2HB CYS 19 -0.483 -4.507 1.606 135 2HB CYS 19 1HB CYS 19 0.133 -6.120 1.982 136 H GLY 20 H GLY 20 4.029 -4.936 0.750 137 1HA GLY 20 2HA GLY 20 4.708 -7.447 -0.189 138 2HA GLY 20 1HA GLY 20 5.668 -6.615 1.039 139 H SER 21 H SER 21 5.497 -9.390 1.070 140 HA SER 21 HA SER 21 3.411 -10.240 2.957 141 1HB SER 21 2HB SER 21 4.935 -11.423 1.005 142 2HB SER 21 1HB SER 21 5.775 -11.942 2.463 143 HG SER 21 HG SER 21 2.992 -12.057 2.471 144 H ASP 22 H ASP 22 6.083 -8.394 3.391 145 HA ASP 22 HA ASP 22 7.040 -9.740 5.866 146 1HB ASP 22 2HB ASP 22 8.308 -8.454 3.833 147 2HB ASP 22 1HB ASP 22 8.116 -7.118 4.975 148 H GLY 23 H GLY 23 4.828 -7.312 4.883 149 1HA GLY 23 2HA GLY 23 3.366 -6.051 6.257 150 2HA GLY 23 1HA GLY 23 4.248 -6.635 7.674 151 H LYS 24 H LYS 24 5.625 -4.992 4.842 152 HA LYS 24 HA LYS 24 5.775 -2.351 5.837 153 1HB LYS 24 2HB LYS 24 7.386 -4.315 7.243 154 2HB LYS 24 1HB LYS 24 8.410 -3.065 6.537 155 1HG LYS 24 2HG LYS 24 5.932 -2.132 7.889 156 2HG LYS 24 1HG LYS 24 7.203 -2.770 8.932 157 1HD LYS 24 2HD LYS 24 8.074 -0.901 6.792 158 2HD LYS 24 1HD LYS 24 7.143 -0.196 8.115 159 1HE LYS 24 2HE LYS 24 9.341 -2.084 8.856 160 2HE LYS 24 1HE LYS 24 9.800 -0.462 8.299 161 1HZ LYS 24 1HZ LYS 24 9.381 -0.085 10.519 162 2HZ LYS 24 2HZ LYS 24 8.128 -1.229 10.598 163 3HZ LYS 24 3HZ LYS 24 7.868 0.269 9.840 164 H SER 25 H SER 25 5.697 -3.697 3.294 165 HA SER 25 HA SER 25 7.742 -2.229 1.853 166 1HB SER 25 2HB SER 25 8.028 -5.186 2.392 167 2HB SER 25 1HB SER 25 8.755 -4.453 0.963 168 HG SER 25 HG SER 25 10.195 -4.473 2.735 169 H ALA 26 H ALA 26 6.054 -1.565 0.445 170 HA ALA 26 HA ALA 26 4.490 -3.731 -0.890 171 1HB ALA 26 1HB ALA 26 2.922 -1.933 -1.405 172 2HB ALA 26 2HB ALA 26 4.075 -0.724 -0.839 173 3HB ALA 26 3HB ALA 26 3.341 -1.848 0.305 174 H ALA 27 H ALA 27 3.830 -1.920 -3.126 175 HA ALA 27 HA ALA 27 6.443 -1.589 -4.530 176 1HB ALA 27 1HB ALA 27 4.272 -2.986 -5.993 177 2HB ALA 27 2HB ALA 27 5.037 -3.906 -4.698 178 3HB ALA 27 3HB ALA 27 6.011 -3.275 -6.026 179 H CYS 28 H CYS 28 2.928 -1.307 -4.626 180 HA CYS 28 HA CYS 28 1.537 0.349 -5.508 181 1HB CYS 28 2HB CYS 28 4.167 1.633 -5.026 182 2HB CYS 28 1HB CYS 28 3.079 2.507 -6.109 183 H THR 29 H THR 29 0.694 0.548 -7.554 184 HA THR 29 HA THR 29 2.280 -0.459 -9.810 185 HB THR 29 HB THR 29 0.068 -0.188 -10.961 186 HG1 THR 29 1HG THR 29 -0.926 1.462 -10.034 187 1HG2 THR 29 1HG2 THR 29 0.231 -1.573 -8.284 188 2HG2 THR 29 2HG2 THR 29 0.385 -2.282 -9.892 189 3HG2 THR 29 3HG2 THR 29 -1.188 -1.721 -9.322 190 H ARG 30 H ARG 30 0.612 2.600 -9.024 191 HA ARG 30 HA ARG 30 2.081 3.901 -11.283 192 1HB ARG 30 2HB ARG 30 -0.572 4.107 -10.013 193 2HB ARG 30 1HB ARG 30 0.169 5.665 -10.396 194 1HG ARG 30 2HG ARG 30 0.422 3.638 -12.526 195 2HG ARG 30 1HG ARG 30 -1.235 4.144 -12.191 196 1HD ARG 30 2HD ARG 30 -0.559 6.518 -12.443 197 2HD ARG 30 1HD ARG 30 1.093 5.993 -12.825 198 HE ARG 30 HE ARG 30 0.269 5.602 -14.999 199 1HH1 ARG 30 1HH1 ARG 30 -2.493 6.652 -13.964 200 2HH1 ARG 30 2HH1 ARG 30 -3.515 5.362 -14.506 201 1HH2 ARG 30 1HH2 ARG 30 -0.887 3.185 -15.123 202 2HH2 ARG 30 2HH2 ARG 30 -2.606 3.397 -15.159 203 H MET 31 H MET 31 2.370 6.393 -10.720 204 HA MET 31 HA MET 31 3.263 6.788 -7.905 205 1HB MET 31 2HB MET 31 5.452 7.654 -8.888 206 2HB MET 31 1HB MET 31 5.212 5.911 -9.012 207 1HG MET 31 2HG MET 31 4.744 6.006 -11.304 208 2HG MET 31 1HG MET 31 4.304 7.713 -11.241 209 1HE MET 31 1HE MET 31 6.621 7.941 -13.640 210 2HE MET 31 2HE MET 31 6.770 9.393 -12.655 211 3HE MET 31 3HE MET 31 5.210 8.586 -12.790 212 H ALA 32 H ALA 32 1.388 8.295 -7.967 213 HA ALA 32 HA ALA 32 2.009 10.824 -9.465 214 1HB ALA 32 1HB ALA 32 0.022 10.344 -10.456 215 2HB ALA 32 2HB ALA 32 -0.716 10.793 -8.918 216 3HB ALA 32 3HB ALA 32 -0.354 9.102 -9.263 217 H CYS 33 H CYS 33 1.961 9.457 -6.445 218 HA CYS 33 HA CYS 33 0.671 11.640 -4.972 219 1HB CYS 33 2HB CYS 33 1.460 8.956 -4.561 220 2HB CYS 33 1HB CYS 33 2.395 9.921 -3.417 221 HA PRO 34 HA PRO 34 4.396 14.072 -5.032 222 1HB PRO 34 2HB PRO 34 3.470 16.084 -3.425 223 2HB PRO 34 1HB PRO 34 3.019 15.928 -5.134 224 1HG PRO 34 2HG PRO 34 1.486 15.185 -2.698 225 2HG PRO 34 1HG PRO 34 0.917 15.877 -4.225 226 1HD PRO 34 2HD PRO 34 0.672 13.232 -3.561 227 2HD PRO 34 1HD PRO 34 0.740 13.836 -5.233 228 H GLN 35 H GLN 35 2.882 12.591 -2.321 229 HA GLN 35 HA GLN 35 3.650 12.106 -0.133 230 1HB GLN 35 2HB GLN 35 5.509 11.460 -2.162 231 2HB GLN 35 1HB GLN 35 6.458 12.143 -0.840 232 1HG GLN 35 2HG GLN 35 5.385 10.589 0.745 233 2HG GLN 35 1HG GLN 35 4.430 9.904 -0.571 234 1HE2 GLN 35 1HE2 GLN 35 7.516 9.799 1.016 235 2HE2 GLN 35 2HE2 GLN 35 8.256 8.691 -0.036 Start of MODEL 3 1 1H GLU 1 1HT GLU 1 2.975 -2.436 7.592 2 2H GLU 1 2HT GLU 1 1.751 -2.265 8.757 3 3H GLU 1 3HT GLU 1 3.146 -3.166 9.113 4 HA GLU 1 HA GLU 1 2.976 -0.782 10.039 5 1HB GLU 1 2HB GLU 1 4.953 -2.589 9.449 6 2HB GLU 1 1HB GLU 1 5.519 -1.157 8.588 7 1HG GLU 1 2HG GLU 1 6.333 -0.458 10.578 8 2HG GLU 1 1HG GLU 1 4.656 -0.138 11.021 9 H VAL 2 H VAL 2 4.505 -1.025 6.823 10 HA VAL 2 HA VAL 2 4.722 1.603 6.077 11 HB VAL 2 HB VAL 2 5.407 -0.067 4.536 12 1HG1 VAL 2 1HG1 VAL 2 4.176 -1.915 3.857 13 2HG1 VAL 2 2HG1 VAL 2 2.632 -1.085 4.038 14 3HG1 VAL 2 3HG1 VAL 2 3.491 -1.667 5.460 15 1HG2 VAL 2 1HG2 VAL 2 4.727 0.987 2.656 16 2HG2 VAL 2 2HG2 VAL 2 3.715 1.969 3.718 17 3HG2 VAL 2 3HG2 VAL 2 3.041 0.543 2.926 18 H THR 3 H THR 3 1.766 -0.289 5.490 19 HA THR 3 HA THR 3 -0.078 1.686 6.388 20 HB THR 3 HB THR 3 0.786 3.087 4.647 21 HG1 THR 3 1HG THR 3 -1.325 3.335 4.479 22 1HG2 THR 3 1HG2 THR 3 1.177 0.550 3.325 23 2HG2 THR 3 2HG2 THR 3 1.888 2.118 2.945 24 3HG2 THR 3 3HG2 THR 3 0.331 1.666 2.253 25 H CYS 4 H CYS 4 0.415 -1.320 5.950 26 HA CYS 4 HA CYS 4 -2.343 -2.093 5.583 27 1HB CYS 4 2HB CYS 4 -1.956 -3.233 3.365 28 2HB CYS 4 1HB CYS 4 -1.868 -1.470 3.279 29 H GLU 5 H GLU 5 -2.366 -4.622 5.123 30 HA GLU 5 HA GLU 5 -0.279 -5.831 6.883 31 1HB GLU 5 2HB GLU 5 -3.127 -6.396 6.120 32 2HB GLU 5 1HB GLU 5 -2.121 -7.737 6.667 33 1HG GLU 5 2HG GLU 5 -1.997 -6.949 8.812 34 2HG GLU 5 1HG GLU 5 -1.975 -5.263 8.298 35 HA PRO 6 HA PRO 6 1.506 -7.856 3.419 36 1HB PRO 6 2HB PRO 6 2.498 -10.109 4.620 37 2HB PRO 6 1HB PRO 6 3.228 -8.503 4.815 38 1HG PRO 6 2HG PRO 6 1.418 -9.994 6.651 39 2HG PRO 6 1HG PRO 6 2.830 -8.987 7.026 40 1HD PRO 6 2HD PRO 6 0.263 -8.124 7.309 41 2HD PRO 6 1HD PRO 6 1.624 -7.036 6.946 42 H GLY 7 H GLY 7 0.480 -9.001 1.830 43 1HA GLY 7 2HA GLY 7 -0.407 -11.174 1.062 44 2HA GLY 7 1HA GLY 7 -1.185 -11.346 2.638 45 H THR 8 H THR 8 -1.187 -8.308 0.855 46 HA THR 8 HA THR 8 -3.844 -8.731 -0.303 47 HB THR 8 HB THR 8 -3.526 -6.861 2.065 48 HG1 THR 8 1HG THR 8 -3.518 -8.782 3.004 49 1HG2 THR 8 1HG2 THR 8 -6.082 -7.035 1.948 50 2HG2 THR 8 2HG2 THR 8 -5.849 -7.743 0.350 51 3HG2 THR 8 3HG2 THR 8 -5.296 -6.100 0.675 52 H THR 9 H THR 9 -4.680 -6.580 -1.214 53 HA THR 9 HA THR 9 -2.390 -4.760 -1.898 54 HB THR 9 HB THR 9 -2.963 -6.210 -3.766 55 HG1 THR 9 1HG THR 9 -3.163 -4.624 -5.169 56 1HG2 THR 9 1HG2 THR 9 -5.476 -5.779 -4.601 57 2HG2 THR 9 2HG2 THR 9 -5.726 -5.559 -2.869 58 3HG2 THR 9 3HG2 THR 9 -5.070 -7.077 -3.479 59 H PHE 10 H PHE 10 -3.138 -2.529 -2.492 60 HA PHE 10 HA PHE 10 -5.832 -1.626 -2.008 61 1HB PHE 10 2HB PHE 10 -5.547 -0.733 0.231 62 2HB PHE 10 1HB PHE 10 -5.076 -2.433 0.269 63 HD1 PHE 10 1HD PHE 10 -4.093 0.806 1.210 64 HD2 PHE 10 2HD PHE 10 -2.509 -2.857 -0.379 65 HE1 PHE 10 1HE PHE 10 -1.828 1.446 1.991 66 HE2 PHE 10 2HE PHE 10 -0.246 -2.217 0.400 67 HZ PHE 10 HZ PHE 10 0.096 -0.069 1.584 68 H LYS 11 H LYS 11 -5.895 0.810 -1.871 69 HA LYS 11 HA LYS 11 -3.529 2.002 -3.268 70 1HB LYS 11 2HB LYS 11 -5.545 2.078 -4.570 71 2HB LYS 11 1HB LYS 11 -6.494 2.615 -3.184 72 1HG LYS 11 2HG LYS 11 -5.101 4.709 -3.128 73 2HG LYS 11 1HG LYS 11 -4.345 4.186 -4.633 74 1HD LYS 11 2HD LYS 11 -7.318 4.637 -4.234 75 2HD LYS 11 1HD LYS 11 -6.221 5.745 -5.060 76 1HE LYS 11 2HE LYS 11 -6.879 4.583 -6.930 77 2HE LYS 11 1HE LYS 11 -5.684 3.394 -6.372 78 1HZ LYS 11 1HZ LYS 11 -7.274 2.062 -5.478 79 2HZ LYS 11 2HZ LYS 11 -8.210 2.749 -6.717 80 3HZ LYS 11 3HZ LYS 11 -8.329 3.343 -5.131 81 H ASP 12 H ASP 12 -2.296 3.309 -1.960 82 HA ASP 12 HA ASP 12 -3.515 4.445 0.507 83 1HB ASP 12 2HB ASP 12 -1.483 3.198 0.810 84 2HB ASP 12 1HB ASP 12 -0.695 4.045 -0.526 85 H LYS 13 H LYS 13 -0.843 5.800 -1.358 86 HA LYS 13 HA LYS 13 -1.814 8.497 -1.086 87 1HB LYS 13 2HB LYS 13 0.232 7.398 -3.039 88 2HB LYS 13 1HB LYS 13 0.181 9.016 -2.331 89 1HG LYS 13 2HG LYS 13 0.159 7.293 -0.135 90 2HG LYS 13 1HG LYS 13 1.306 6.558 -1.252 91 1HD LYS 13 2HD LYS 13 1.908 9.270 -1.393 92 2HD LYS 13 1HD LYS 13 1.568 9.005 0.319 93 1HE LYS 13 2HE LYS 13 3.454 7.754 0.612 94 2HE LYS 13 1HE LYS 13 3.224 6.895 -0.924 95 1HZ LYS 13 1HZ LYS 13 5.046 8.251 -1.347 96 2HZ LYS 13 2HZ LYS 13 4.416 9.557 -0.462 97 3HZ LYS 13 3HZ LYS 13 3.756 9.154 -1.975 98 H CYS 14 H CYS 14 -0.858 7.827 -4.350 99 HA CYS 14 HA CYS 14 -3.699 8.152 -5.239 100 1HB CYS 14 2HB CYS 14 -2.661 9.468 -7.128 101 2HB CYS 14 1HB CYS 14 -2.433 10.204 -5.539 102 H ASN 15 H ASN 15 -2.244 5.651 -4.849 103 HA ASN 15 HA ASN 15 -2.655 4.467 -7.501 104 1HB ASN 15 2HB ASN 15 -0.304 3.701 -7.689 105 2HB ASN 15 1HB ASN 15 -0.392 5.465 -7.654 106 1HD2 ASN 15 1HD2 ASN 15 2.028 4.813 -6.904 107 2HD2 ASN 15 2HD2 ASN 15 2.238 4.741 -5.212 108 H THR 16 H THR 16 -2.100 2.015 -7.335 109 HA THR 16 HA THR 16 -3.293 0.960 -4.894 110 HB THR 16 HB THR 16 -1.862 -0.681 -6.966 111 HG1 THR 16 1HG THR 16 -4.440 0.294 -7.453 112 1HG2 THR 16 1HG2 THR 16 -3.093 -2.286 -5.993 113 2HG2 THR 16 2HG2 THR 16 -4.567 -1.431 -6.448 114 3HG2 THR 16 3HG2 THR 16 -3.793 -1.090 -4.901 115 H CYS 17 H CYS 17 -1.863 -1.347 -4.373 116 HA CYS 17 HA CYS 17 0.958 -1.151 -4.138 117 1HB CYS 17 2HB CYS 17 -0.357 0.786 -2.631 118 2HB CYS 17 1HB CYS 17 0.006 -0.478 -1.451 119 H ARG 18 H ARG 18 1.127 -3.362 -4.154 120 HA ARG 18 HA ARG 18 -0.663 -5.082 -2.603 121 1HB ARG 18 2HB ARG 18 0.265 -5.661 -4.825 122 2HB ARG 18 1HB ARG 18 1.894 -5.617 -4.151 123 1HG ARG 18 2HG ARG 18 1.591 -7.829 -3.758 124 2HG ARG 18 1HG ARG 18 0.592 -7.301 -2.404 125 1HD ARG 18 2HD ARG 18 -0.745 -8.853 -3.684 126 2HD ARG 18 1HD ARG 18 -1.371 -7.234 -4.054 127 HE ARG 18 HE ARG 18 -0.438 -7.414 -6.233 128 1HH1 ARG 18 1HH2 ARG 18 -0.350 -10.373 -4.695 129 2HH1 ARG 18 2HH2 ARG 18 0.913 -11.052 -5.667 130 1HH2 ARG 18 1HH1 ARG 18 1.663 -8.057 -7.249 131 2HH2 ARG 18 2HH1 ARG 18 2.054 -9.739 -7.114 132 H CYS 19 H CYS 19 -0.304 -4.674 -0.383 133 HA CYS 19 HA CYS 19 1.970 -4.113 1.052 134 1HB CYS 19 2HB CYS 19 -0.577 -4.938 1.576 135 2HB CYS 19 1HB CYS 19 0.345 -6.338 2.135 136 H GLY 20 H GLY 20 3.984 -5.018 0.934 137 1HA GLY 20 2HA GLY 20 4.674 -7.462 -0.264 138 2HA GLY 20 1HA GLY 20 5.664 -6.659 0.959 139 H SER 21 H SER 21 5.815 -9.299 1.129 140 HA SER 21 HA SER 21 3.709 -10.498 2.769 141 1HB SER 21 2HB SER 21 4.891 -12.417 2.322 142 2HB SER 21 1HB SER 21 5.638 -11.406 1.089 143 HG SER 21 HG SER 21 7.434 -11.565 2.154 144 H ASP 22 H ASP 22 6.184 -8.308 3.427 145 HA ASP 22 HA ASP 22 6.776 -9.349 6.141 146 1HB ASP 22 2HB ASP 22 8.361 -8.240 4.352 147 2HB ASP 22 1HB ASP 22 7.711 -6.728 4.997 148 H GLY 23 H GLY 23 4.634 -7.129 4.583 149 1HA GLY 23 2HA GLY 23 2.822 -5.979 5.609 150 2HA GLY 23 1HA GLY 23 3.511 -6.361 7.190 151 H LYS 24 H LYS 24 5.893 -5.145 5.146 152 HA LYS 24 HA LYS 24 5.372 -2.299 5.809 153 1HB LYS 24 2HB LYS 24 6.480 -3.348 7.774 154 2HB LYS 24 1HB LYS 24 7.809 -3.861 6.733 155 1HG LYS 24 2HG LYS 24 8.501 -1.627 6.328 156 2HG LYS 24 1HG LYS 24 6.985 -0.962 6.937 157 1HD LYS 24 2HD LYS 24 8.806 -0.688 8.586 158 2HD LYS 24 1HD LYS 24 7.540 -1.749 9.204 159 1HE LYS 24 2HE LYS 24 9.044 -3.653 8.127 160 2HE LYS 24 1HE LYS 24 10.325 -2.441 8.330 161 1HZ LYS 24 1HZ LYS 24 8.393 -3.119 10.475 162 2HZ LYS 24 2HZ LYS 24 9.827 -2.219 10.613 163 3HZ LYS 24 3HZ LYS 24 9.895 -3.891 10.326 164 H SER 25 H SER 25 5.450 -3.588 3.287 165 HA SER 25 HA SER 25 7.424 -1.991 1.889 166 1HB SER 25 2HB SER 25 7.866 -4.939 2.387 167 2HB SER 25 1HB SER 25 8.571 -4.140 0.980 168 HG SER 25 HG SER 25 9.605 -4.224 3.326 169 H ALA 26 H ALA 26 5.964 -1.411 0.290 170 HA ALA 26 HA ALA 26 4.439 -3.623 -1.036 171 1HB ALA 26 1HB ALA 26 2.792 -1.755 -1.501 172 2HB ALA 26 2HB ALA 26 3.791 -0.713 -0.489 173 3HB ALA 26 3HB ALA 26 3.004 -2.128 0.209 174 H ALA 27 H ALA 27 3.841 -2.994 -3.366 175 HA ALA 27 HA ALA 27 6.276 -1.926 -4.715 176 1HB ALA 27 1HB ALA 27 4.968 -4.220 -5.055 177 2HB ALA 27 2HB ALA 27 5.680 -3.377 -6.433 178 3HB ALA 27 3HB ALA 27 3.955 -3.219 -6.095 179 H CYS 28 H CYS 28 2.763 -1.590 -4.605 180 HA CYS 28 HA CYS 28 1.374 0.177 -5.259 181 1HB CYS 28 2HB CYS 28 4.037 1.316 -4.721 182 2HB CYS 28 1HB CYS 28 3.028 2.312 -5.773 183 H THR 29 H THR 29 0.444 0.635 -7.222 184 HA THR 29 HA THR 29 1.541 -0.399 -9.648 185 HB THR 29 HB THR 29 -0.634 1.629 -9.050 186 HG1 THR 29 1HG THR 29 -1.944 -0.209 -9.373 187 1HG2 THR 29 1HG2 THR 29 -1.432 0.732 -11.380 188 2HG2 THR 29 2HG2 THR 29 0.274 0.343 -11.609 189 3HG2 THR 29 3HG2 THR 29 -0.219 2.011 -11.317 190 H ARG 30 H ARG 30 2.362 2.436 -7.964 191 HA ARG 30 HA ARG 30 3.915 4.126 -8.547 192 1HB ARG 30 2HB ARG 30 4.291 2.032 -10.388 193 2HB ARG 30 1HB ARG 30 4.158 3.493 -11.372 194 1HG ARG 30 2HG ARG 30 5.990 4.523 -10.312 195 2HG ARG 30 1HG ARG 30 5.903 3.448 -8.916 196 1HD ARG 30 2HD ARG 30 6.441 1.543 -10.600 197 2HD ARG 30 1HD ARG 30 6.967 2.852 -11.678 198 HE ARG 30 HE ARG 30 8.155 2.254 -9.009 199 1HH1 ARG 30 1HH2 ARG 30 9.368 2.324 -11.923 200 2HH1 ARG 30 2HH2 ARG 30 10.372 3.727 -11.772 201 1HH2 ARG 30 1HH1 ARG 30 8.897 4.795 -8.820 202 2HH2 ARG 30 2HH1 ARG 30 10.108 5.124 -10.013 203 H MET 31 H MET 31 3.120 6.153 -8.779 204 HA MET 31 HA MET 31 1.733 6.999 -11.213 205 1HB MET 31 2HB MET 31 0.149 5.695 -9.531 206 2HB MET 31 1HB MET 31 0.134 7.243 -8.685 207 1HG MET 31 2HG MET 31 -1.504 7.844 -10.126 208 2HG MET 31 1HG MET 31 -0.228 7.969 -11.339 209 1HE MET 31 1HE MET 31 -3.348 7.003 -12.579 210 2HE MET 31 2HE MET 31 -3.281 7.314 -10.847 211 3HE MET 31 3HE MET 31 -3.849 5.753 -11.432 212 H ALA 32 H ALA 32 2.719 7.691 -7.876 213 HA ALA 32 HA ALA 32 3.741 9.648 -7.007 214 1HB ALA 32 1HB ALA 32 4.524 9.645 -9.525 215 2HB ALA 32 2HB ALA 32 4.712 11.105 -8.555 216 3HB ALA 32 3HB ALA 32 3.362 10.962 -9.682 217 H CYS 33 H CYS 33 2.730 11.267 -5.844 218 HA CYS 33 HA CYS 33 0.038 12.131 -6.830 219 1HB CYS 33 2HB CYS 33 0.975 12.166 -3.961 220 2HB CYS 33 1HB CYS 33 -0.678 12.095 -4.572 221 HA PRO 34 HA PRO 34 2.003 16.125 -6.932 222 1HB PRO 34 2HB PRO 34 -0.225 17.550 -7.635 223 2HB PRO 34 1HB PRO 34 0.704 16.576 -8.793 224 1HG PRO 34 2HG PRO 34 -1.848 15.939 -7.403 225 2HG PRO 34 1HG PRO 34 -1.343 15.574 -9.061 226 1HD PRO 34 2HD PRO 34 -1.321 13.741 -7.034 227 2HD PRO 34 1HD PRO 34 -0.236 13.670 -8.443 228 H GLN 35 H GLN 35 -1.018 15.453 -5.214 229 HA GLN 35 HA GLN 35 -0.141 16.710 -2.782 230 1HB GLN 35 2HB GLN 35 -1.371 18.355 -4.885 231 2HB GLN 35 1HB GLN 35 -2.172 18.513 -3.322 232 1HG GLN 35 2HG GLN 35 0.438 18.600 -2.551 233 2HG GLN 35 1HG GLN 35 0.544 19.354 -4.143 234 1HE2 GLN 35 1HE2 GLN 35 -1.876 19.493 -1.455 235 2HE2 GLN 35 2HE2 GLN 35 -1.953 21.188 -1.428 Start of MODEL 4 1 1H GLU 1 1HT GLU 1 5.272 -3.694 8.819 2 2H GLU 1 2HT GLU 1 5.603 -3.286 10.434 3 3H GLU 1 3HT GLU 1 6.093 -2.254 9.177 4 HA GLU 1 HA GLU 1 3.237 -2.851 9.325 5 1HB GLU 1 2HB GLU 1 4.146 -2.608 11.685 6 2HB GLU 1 1HB GLU 1 4.630 -0.968 11.249 7 1HG GLU 1 2HG GLU 1 1.908 -1.390 10.427 8 2HG GLU 1 1HG GLU 1 2.074 -1.845 12.123 9 H VAL 2 H VAL 2 4.015 -2.096 7.037 10 HA VAL 2 HA VAL 2 4.809 0.677 6.688 11 HB VAL 2 HB VAL 2 5.345 -0.923 4.983 12 1HG1 VAL 2 1HG1 VAL 2 4.028 -2.726 4.692 13 2HG1 VAL 2 2HG1 VAL 2 2.822 -1.695 3.925 14 3HG1 VAL 2 3HG1 VAL 2 2.761 -1.981 5.664 15 1HG2 VAL 2 1HG2 VAL 2 2.997 0.307 3.624 16 2HG2 VAL 2 2HG2 VAL 2 4.691 0.273 3.134 17 3HG2 VAL 2 3HG2 VAL 2 4.155 1.407 4.374 18 H THR 3 H THR 3 1.772 -1.041 6.916 19 HA THR 3 HA THR 3 0.074 0.964 7.733 20 HB THR 3 HB THR 3 0.807 1.199 4.840 21 HG1 THR 3 1HG THR 3 0.997 2.675 6.897 22 1HG2 THR 3 1HG2 THR 3 -1.996 1.227 5.856 23 2HG2 THR 3 2HG2 THR 3 -1.386 0.820 4.252 24 3HG2 THR 3 3HG2 THR 3 -1.536 2.510 4.735 25 H CYS 4 H CYS 4 0.615 -1.842 5.768 26 HA CYS 4 HA CYS 4 -2.098 -2.847 6.489 27 1HB CYS 4 2HB CYS 4 -2.684 -2.344 4.346 28 2HB CYS 4 1HB CYS 4 -1.008 -2.085 3.868 29 H GLU 5 H GLU 5 -2.164 -5.309 5.896 30 HA GLU 5 HA GLU 5 0.307 -6.550 6.971 31 1HB GLU 5 2HB GLU 5 -2.591 -7.133 6.753 32 2HB GLU 5 1HB GLU 5 -1.531 -8.539 6.654 33 1HG GLU 5 2HG GLU 5 -0.953 -8.400 8.842 34 2HG GLU 5 1HG GLU 5 -0.783 -6.645 8.776 35 HA PRO 6 HA PRO 6 1.656 -8.106 3.098 36 1HB PRO 6 2HB PRO 6 2.757 -10.490 3.896 37 2HB PRO 6 1HB PRO 6 3.529 -8.917 4.184 38 1HG PRO 6 2HG PRO 6 1.902 -10.598 6.037 39 2HG PRO 6 1HG PRO 6 3.389 -9.685 6.356 40 1HD PRO 6 2HD PRO 6 0.953 -8.769 7.079 41 2HD PRO 6 1HD PRO 6 2.271 -7.680 6.581 42 H GLY 7 H GLY 7 0.458 -9.068 1.507 43 1HA GLY 7 2HA GLY 7 -0.524 -11.165 0.615 44 2HA GLY 7 1HA GLY 7 -1.169 -11.471 2.232 45 H THR 8 H THR 8 -1.223 -8.336 0.580 46 HA THR 8 HA THR 8 -4.020 -8.595 -0.234 47 HB THR 8 HB THR 8 -3.309 -6.841 2.136 48 HG1 THR 8 1HG THR 8 -3.755 -8.487 3.345 49 1HG2 THR 8 1HG2 THR 8 -5.767 -7.347 0.523 50 2HG2 THR 8 2HG2 THR 8 -5.195 -5.851 1.261 51 3HG2 THR 8 3HG2 THR 8 -5.954 -7.091 2.257 52 H THR 9 H THR 9 -4.857 -6.432 -1.010 53 HA THR 9 HA THR 9 -2.617 -4.636 -1.892 54 HB THR 9 HB THR 9 -3.372 -5.946 -3.759 55 HG1 THR 9 1HG THR 9 -4.535 -4.309 -4.982 56 1HG2 THR 9 1HG2 THR 9 -6.084 -5.404 -2.583 57 2HG2 THR 9 2HG2 THR 9 -5.365 -6.946 -3.048 58 3HG2 THR 9 3HG2 THR 9 -5.921 -5.822 -4.289 59 H PHE 10 H PHE 10 -3.509 -2.386 -2.479 60 HA PHE 10 HA PHE 10 -6.065 -1.461 -1.533 61 1HB PHE 10 2HB PHE 10 -5.303 -0.495 0.617 62 2HB PHE 10 1HB PHE 10 -5.083 -2.246 0.616 63 HD1 PHE 10 1HD PHE 10 -3.387 1.016 0.412 64 HD2 PHE 10 2HD PHE 10 -2.867 -3.247 0.441 65 HE1 PHE 10 1HE PHE 10 -0.950 1.316 0.754 66 HE2 PHE 10 2HE PHE 10 -0.430 -2.948 0.786 67 HZ PHE 10 HZ PHE 10 0.525 -0.666 0.936 68 H LYS 11 H LYS 11 -6.106 0.934 -1.418 69 HA LYS 11 HA LYS 11 -4.699 2.228 -3.513 70 1HB LYS 11 2HB LYS 11 -6.869 2.746 -2.129 71 2HB LYS 11 1HB LYS 11 -5.769 3.621 -1.069 72 1HG LYS 11 2HG LYS 11 -5.991 5.371 -2.485 73 2HG LYS 11 1HG LYS 11 -5.031 4.440 -3.637 74 1HD LYS 11 2HD LYS 11 -7.153 5.167 -4.659 75 2HD LYS 11 1HD LYS 11 -7.097 3.408 -4.518 76 1HE LYS 11 2HE LYS 11 -8.780 3.353 -2.955 77 2HE LYS 11 1HE LYS 11 -8.255 4.867 -2.193 78 1HZ LYS 11 1HZ LYS 11 -9.272 6.142 -3.796 79 2HZ LYS 11 2HZ LYS 11 -10.376 4.855 -3.666 80 3HZ LYS 11 3HZ LYS 11 -9.270 4.903 -4.955 81 H ASP 12 H ASP 12 -3.898 4.650 -2.000 82 HA ASP 12 HA ASP 12 -1.946 4.235 -0.023 83 1HB ASP 12 2HB ASP 12 -0.012 3.630 -1.117 84 2HB ASP 12 1HB ASP 12 -1.144 2.916 -2.261 85 H LYS 13 H LYS 13 -3.086 5.984 -2.808 86 HA LYS 13 HA LYS 13 -3.643 8.436 -2.128 87 1HB LYS 13 2HB LYS 13 -0.696 8.106 -1.720 88 2HB LYS 13 1HB LYS 13 -1.315 9.677 -2.245 89 1HG LYS 13 2HG LYS 13 -3.065 8.666 -0.243 90 2HG LYS 13 1HG LYS 13 -1.422 8.556 0.378 91 1HD LYS 13 2HD LYS 13 -1.062 10.949 -0.300 92 2HD LYS 13 1HD LYS 13 -2.768 11.033 -0.739 93 1HE LYS 13 2HE LYS 13 -3.134 10.117 1.721 94 2HE LYS 13 1HE LYS 13 -1.528 10.825 1.987 95 1HZ LYS 13 1HZ LYS 13 -4.042 12.137 1.397 96 2HZ LYS 13 2HZ LYS 13 -2.721 12.708 0.494 97 3HZ LYS 13 3HZ LYS 13 -2.670 12.735 2.193 98 H CYS 14 H CYS 14 -0.927 7.233 -4.152 99 HA CYS 14 HA CYS 14 -2.225 8.642 -6.454 100 1HB CYS 14 2HB CYS 14 0.713 8.015 -6.294 101 2HB CYS 14 1HB CYS 14 -0.088 9.309 -7.169 102 H ASN 15 H ASN 15 -1.703 5.675 -5.121 103 HA ASN 15 HA ASN 15 -2.289 4.225 -7.545 104 1HB ASN 15 2HB ASN 15 0.525 4.704 -6.739 105 2HB ASN 15 1HB ASN 15 0.131 3.030 -7.142 106 1HD2 ASN 15 1HD2 ASN 15 -1.537 3.078 -9.220 107 2HD2 ASN 15 2HD2 ASN 15 -0.910 3.969 -10.529 108 H THR 16 H THR 16 -2.633 1.960 -7.099 109 HA THR 16 HA THR 16 -3.229 1.355 -4.305 110 HB THR 16 HB THR 16 -3.356 -0.085 -6.957 111 HG1 THR 16 1HG THR 16 -4.979 1.402 -6.492 112 1HG2 THR 16 1HG2 THR 16 -4.193 -1.215 -4.281 113 2HG2 THR 16 2HG2 THR 16 -2.732 -1.694 -5.145 114 3HG2 THR 16 3HG2 THR 16 -4.317 -2.008 -5.851 115 H CYS 17 H CYS 17 -1.918 0.194 -2.897 116 HA CYS 17 HA CYS 17 0.712 -0.743 -3.967 117 1HB CYS 17 2HB CYS 17 -0.240 0.709 -1.623 118 2HB CYS 17 1HB CYS 17 0.803 -0.646 -1.184 119 H ARG 18 H ARG 18 0.935 -2.923 -4.135 120 HA ARG 18 HA ARG 18 -0.943 -4.755 -2.794 121 1HB ARG 18 2HB ARG 18 -0.155 -5.100 -5.111 122 2HB ARG 18 1HB ARG 18 1.512 -5.179 -4.539 123 1HG ARG 18 2HG ARG 18 1.152 -7.417 -4.413 124 2HG ARG 18 1HG ARG 18 0.279 -7.032 -2.929 125 1HD ARG 18 2HD ARG 18 -1.813 -7.220 -3.950 126 2HD ARG 18 1HD ARG 18 -1.166 -6.868 -5.564 127 HE ARG 18 HE ARG 18 0.031 -9.267 -4.510 128 1HH1 ARG 18 1HH1 ARG 18 -2.734 -7.913 -6.066 129 2HH1 ARG 18 2HH1 ARG 18 -3.305 -9.433 -6.666 130 1HH2 ARG 18 1HH2 ARG 18 -0.761 -11.276 -5.203 131 2HH2 ARG 18 2HH2 ARG 18 -2.191 -11.333 -6.178 132 H CYS 19 H CYS 19 -0.496 -4.620 -0.600 133 HA CYS 19 HA CYS 19 1.714 -4.327 0.924 134 1HB CYS 19 2HB CYS 19 -0.817 -5.550 1.076 135 2HB CYS 19 1HB CYS 19 0.316 -6.712 1.766 136 H GLY 20 H GLY 20 3.719 -5.252 1.067 137 1HA GLY 20 2HA GLY 20 4.466 -7.466 -0.639 138 2HA GLY 20 1HA GLY 20 5.507 -6.695 0.561 139 H SER 21 H SER 21 6.295 -8.568 1.535 140 HA SER 21 HA SER 21 4.255 -10.360 2.809 141 1HB SER 21 2HB SER 21 6.621 -10.786 1.193 142 2HB SER 21 1HB SER 21 6.788 -11.598 2.745 143 HG SER 21 HG SER 21 5.672 -13.022 1.556 144 H ASP 22 H ASP 22 6.018 -7.803 3.649 145 HA ASP 22 HA ASP 22 6.871 -8.976 6.280 146 1HB ASP 22 2HB ASP 22 8.393 -7.752 4.301 147 2HB ASP 22 1HB ASP 22 8.106 -6.446 5.456 148 H GLY 23 H GLY 23 4.381 -7.378 5.068 149 1HA GLY 23 2HA GLY 23 2.894 -5.738 5.856 150 2HA GLY 23 1HA GLY 23 3.488 -6.197 7.457 151 H LYS 24 H LYS 24 5.816 -5.016 5.186 152 HA LYS 24 HA LYS 24 5.634 -2.238 6.205 153 1HB LYS 24 2HB LYS 24 6.924 -3.451 7.887 154 2HB LYS 24 1HB LYS 24 7.966 -4.131 6.638 155 1HG LYS 24 2HG LYS 24 8.896 -2.111 7.896 156 2HG LYS 24 1HG LYS 24 8.924 -2.004 6.137 157 1HD LYS 24 2HD LYS 24 6.982 -0.594 6.105 158 2HD LYS 24 1HD LYS 24 6.659 -0.896 7.813 159 1HE LYS 24 2HE LYS 24 8.053 0.781 8.435 160 2HE LYS 24 1HE LYS 24 9.358 0.140 7.417 161 1HZ LYS 24 1HZ LYS 24 8.831 2.116 6.364 162 2HZ LYS 24 2HZ LYS 24 7.168 1.974 6.682 163 3HZ LYS 24 3HZ LYS 24 7.895 0.999 5.496 164 H SER 25 H SER 25 5.743 -4.035 3.597 165 HA SER 25 HA SER 25 7.293 -2.063 2.034 166 1HB SER 25 2HB SER 25 7.944 -5.027 1.993 167 2HB SER 25 1HB SER 25 8.793 -3.746 1.124 168 HG SER 25 HG SER 25 8.883 -4.481 3.798 169 H ALA 26 H ALA 26 5.442 -1.584 0.804 170 HA ALA 26 HA ALA 26 4.213 -3.881 -0.690 171 1HB ALA 26 1HB ALA 26 2.138 -2.764 -0.478 172 2HB ALA 26 2HB ALA 26 2.910 -1.216 -0.132 173 3HB ALA 26 3HB ALA 26 2.909 -2.493 1.085 174 H ALA 27 H ALA 27 3.840 -3.552 -2.936 175 HA ALA 27 HA ALA 27 5.422 -1.335 -4.154 176 1HB ALA 27 1HB ALA 27 4.494 -3.072 -6.131 177 2HB ALA 27 2HB ALA 27 4.758 -4.121 -4.737 178 3HB ALA 27 3HB ALA 27 6.081 -3.136 -5.363 179 H CYS 28 H CYS 28 4.372 0.268 -5.341 180 HA CYS 28 HA CYS 28 1.406 0.078 -5.441 181 1HB CYS 28 2HB CYS 28 3.423 2.158 -4.994 182 2HB CYS 28 1HB CYS 28 2.154 2.659 -6.117 183 H THR 29 H THR 29 0.287 0.497 -7.412 184 HA THR 29 HA THR 29 1.104 -0.557 -9.796 185 HB THR 29 HB THR 29 -0.274 1.779 -10.533 186 HG1 THR 29 1HG THR 29 -1.444 0.863 -8.170 187 1HG2 THR 29 1HG2 THR 29 -2.022 -0.336 -9.595 188 2HG2 THR 29 2HG2 THR 29 -0.642 -0.998 -10.472 189 3HG2 THR 29 3HG2 THR 29 -1.693 0.187 -11.248 190 H ARG 30 H ARG 30 1.038 2.970 -10.071 191 HA ARG 30 HA ARG 30 3.890 3.294 -10.324 192 1HB ARG 30 2HB ARG 30 3.560 1.868 -12.245 193 2HB ARG 30 1HB ARG 30 2.219 2.869 -12.811 194 1HG ARG 30 2HG ARG 30 3.703 4.724 -13.256 195 2HG ARG 30 1HG ARG 30 5.055 3.889 -12.491 196 1HD ARG 30 2HD ARG 30 4.783 2.060 -14.241 197 2HD ARG 30 1HD ARG 30 3.663 3.149 -15.083 198 HE ARG 30 HE ARG 30 6.303 4.265 -14.328 199 1HH1 ARG 30 1HH1 ARG 30 4.588 5.626 -16.318 200 2HH1 ARG 30 2HH1 ARG 30 5.273 5.117 -17.826 201 1HH2 ARG 30 1HH2 ARG 30 7.016 2.458 -16.442 202 2HH2 ARG 30 2HH2 ARG 30 6.644 3.323 -17.897 203 H MET 31 H MET 31 0.822 4.529 -11.685 204 HA MET 31 HA MET 31 1.000 6.994 -12.516 205 1HB MET 31 2HB MET 31 -0.840 5.702 -10.929 206 2HB MET 31 1HB MET 31 -0.481 7.144 -9.986 207 1HG MET 31 2HG MET 31 -1.338 7.077 -12.893 208 2HG MET 31 1HG MET 31 -2.330 7.591 -11.529 209 1HE MET 31 1HE MET 31 -1.046 9.988 -14.285 210 2HE MET 31 2HE MET 31 -2.225 10.640 -13.148 211 3HE MET 31 3HE MET 31 -2.370 8.972 -13.697 212 H ALA 32 H ALA 32 1.045 7.075 -8.902 213 HA ALA 32 HA ALA 32 3.504 8.739 -9.057 214 1HB ALA 32 1HB ALA 32 1.551 10.084 -7.426 215 2HB ALA 32 2HB ALA 32 0.861 9.762 -9.015 216 3HB ALA 32 3HB ALA 32 2.366 10.670 -8.874 217 H CYS 33 H CYS 33 2.985 9.806 -6.362 218 HA CYS 33 HA CYS 33 3.478 9.243 -4.154 219 1HB CYS 33 2HB CYS 33 1.643 7.117 -5.150 220 2HB CYS 33 1HB CYS 33 2.478 6.802 -3.633 221 HA PRO 34 HA PRO 34 6.933 6.652 -5.924 222 1HB PRO 34 2HB PRO 34 8.781 8.669 -5.736 223 2HB PRO 34 1HB PRO 34 7.748 8.420 -7.157 224 1HG PRO 34 2HG PRO 34 7.337 10.310 -4.880 225 2HG PRO 34 1HG PRO 34 7.247 10.621 -6.626 226 1HD PRO 34 2HD PRO 34 5.018 10.212 -5.217 227 2HD PRO 34 1HD PRO 34 5.209 9.522 -6.849 228 H GLN 35 H GLN 35 6.036 8.371 -3.118 229 HA GLN 35 HA GLN 35 8.390 7.906 -1.485 230 1HB GLN 35 2HB GLN 35 6.639 9.645 -1.105 231 2HB GLN 35 1HB GLN 35 5.483 8.365 -0.738 232 1HG GLN 35 2HG GLN 35 8.069 8.347 0.750 233 2HG GLN 35 1HG GLN 35 6.885 9.580 1.189 234 1HE2 GLN 35 1HE2 GLN 35 5.040 8.910 2.385 235 2HE2 GLN 35 2HE2 GLN 35 4.739 7.296 2.815 Start of MODEL 5 1 1H GLU 1 1HT GLU 1 7.577 4.713 4.751 2 2H GLU 1 2HT GLU 1 5.944 4.840 5.204 3 3H GLU 1 3HT GLU 1 6.357 4.397 3.616 4 HA GLU 1 HA GLU 1 7.496 2.378 4.629 5 1HB GLU 1 2HB GLU 1 5.850 3.494 6.922 6 2HB GLU 1 1HB GLU 1 6.571 1.884 6.919 7 1HG GLU 1 2HG GLU 1 8.526 2.750 7.608 8 2HG GLU 1 1HG GLU 1 8.594 3.757 6.161 9 H VAL 2 H VAL 2 5.496 0.757 5.882 10 HA VAL 2 HA VAL 2 3.087 1.061 4.148 11 HB VAL 2 HB VAL 2 5.145 -1.139 4.174 12 1HG1 VAL 2 1HG1 VAL 2 3.503 -2.695 4.225 13 2HG1 VAL 2 2HG1 VAL 2 3.029 -2.093 2.636 14 3HG1 VAL 2 3HG1 VAL 2 2.240 -1.471 4.086 15 1HG2 VAL 2 1HG2 VAL 2 5.041 0.774 2.475 16 2HG2 VAL 2 2HG2 VAL 2 3.550 0.036 1.889 17 3HG2 VAL 2 3HG2 VAL 2 5.069 -0.858 1.806 18 H THR 3 H THR 3 1.745 1.358 5.972 19 HA THR 3 HA THR 3 1.908 -0.454 8.285 20 HB THR 3 HB THR 3 -0.166 1.629 7.534 21 HG1 THR 3 1HG THR 3 1.686 2.735 7.542 22 1HG2 THR 3 1HG2 THR 3 -0.565 1.752 9.922 23 2HG2 THR 3 2HG2 THR 3 0.767 0.639 10.241 24 3HG2 THR 3 3HG2 THR 3 -0.687 0.065 9.423 25 H CYS 4 H CYS 4 0.754 -0.890 5.240 26 HA CYS 4 HA CYS 4 -1.875 -2.032 5.819 27 1HB CYS 4 2HB CYS 4 -1.805 -1.290 3.650 28 2HB CYS 4 1HB CYS 4 -0.061 -1.514 3.530 29 H GLU 5 H GLU 5 -2.290 -4.392 5.218 30 HA GLU 5 HA GLU 5 -0.342 -6.114 6.619 31 1HB GLU 5 2HB GLU 5 -2.965 -6.847 5.293 32 2HB GLU 5 1HB GLU 5 -2.162 -7.678 6.626 33 1HG GLU 5 2HG GLU 5 -3.408 -4.915 6.697 34 2HG GLU 5 1HG GLU 5 -3.977 -6.355 7.544 35 HA PRO 6 HA PRO 6 1.600 -7.578 2.965 36 1HB PRO 6 2HB PRO 6 2.287 -10.099 3.809 37 2HB PRO 6 1HB PRO 6 3.145 -8.631 4.321 38 1HG PRO 6 2HG PRO 6 1.019 -10.176 5.743 39 2HG PRO 6 1HG PRO 6 2.520 -9.474 6.382 40 1HD PRO 6 2HD PRO 6 0.141 -8.271 6.727 41 2HD PRO 6 1HD PRO 6 1.637 -7.335 6.478 42 H GLY 7 H GLY 7 0.532 -8.217 1.146 43 1HA GLY 7 2HA GLY 7 -0.661 -9.701 -0.277 44 2HA GLY 7 1HA GLY 7 -0.948 -10.755 1.115 45 H THR 8 H THR 8 -1.837 -7.442 0.056 46 HA THR 8 HA THR 8 -4.683 -8.097 0.607 47 HB THR 8 HB THR 8 -3.687 -5.573 1.811 48 HG1 THR 8 1HG THR 8 -2.507 -6.498 3.303 49 1HG2 THR 8 1HG2 THR 8 -5.219 -7.492 3.415 50 2HG2 THR 8 2HG2 THR 8 -6.005 -7.068 1.895 51 3HG2 THR 8 3HG2 THR 8 -5.568 -5.804 3.045 52 H THR 9 H THR 9 -2.274 -5.850 -0.684 53 HA THR 9 HA THR 9 -2.448 -4.244 -2.385 54 HB THR 9 HB THR 9 -3.679 -6.559 -3.162 55 HG1 THR 9 1HG THR 9 -3.124 -4.126 -4.412 56 1HG2 THR 9 1HG2 THR 9 -5.948 -6.066 -2.821 57 2HG2 THR 9 2HG2 THR 9 -5.711 -5.616 -4.502 58 3HG2 THR 9 3HG2 THR 9 -5.753 -4.372 -3.261 59 H PHE 10 H PHE 10 -3.047 -2.165 -2.024 60 HA PHE 10 HA PHE 10 -5.882 -1.521 -1.472 61 1HB PHE 10 2HB PHE 10 -5.262 -0.402 0.659 62 2HB PHE 10 1HB PHE 10 -4.941 -2.136 0.708 63 HD1 PHE 10 1HD PHE 10 -2.541 -2.891 -0.036 64 HD2 PHE 10 2HD PHE 10 -3.541 1.100 1.200 65 HE1 PHE 10 1HE PHE 10 -0.149 -2.437 0.436 66 HE2 PHE 10 2HE PHE 10 -1.150 1.553 1.674 67 HZ PHE 10 HZ PHE 10 0.546 -0.216 1.291 68 H LYS 11 H LYS 11 -6.365 0.562 -2.113 69 HA LYS 11 HA LYS 11 -4.411 2.043 -3.679 70 1HB LYS 11 2HB LYS 11 -6.796 1.929 -4.236 71 2HB LYS 11 1HB LYS 11 -7.214 2.661 -2.686 72 1HG LYS 11 2HG LYS 11 -6.125 4.732 -3.293 73 2HG LYS 11 1HG LYS 11 -5.473 4.011 -4.765 74 1HD LYS 11 2HD LYS 11 -8.315 3.612 -4.729 75 2HD LYS 11 1HD LYS 11 -7.979 5.317 -4.432 76 1HE LYS 11 2HE LYS 11 -6.271 5.025 -6.432 77 2HE LYS 11 1HE LYS 11 -7.323 3.656 -6.847 78 1HZ LYS 11 1HZ LYS 11 -8.239 5.601 -7.854 79 2HZ LYS 11 2HZ LYS 11 -8.144 6.477 -6.401 80 3HZ LYS 11 3HZ LYS 11 -9.240 5.187 -6.550 81 H ASP 12 H ASP 12 -2.804 3.164 -2.591 82 HA ASP 12 HA ASP 12 -3.633 4.754 -0.188 83 1HB ASP 12 2HB ASP 12 -2.162 2.659 0.092 84 2HB ASP 12 1HB ASP 12 -0.895 3.585 -0.719 85 H LYS 13 H LYS 13 -3.423 6.903 -0.549 86 HA LYS 13 HA LYS 13 -2.456 8.948 -1.228 87 1HB LYS 13 2HB LYS 13 -0.266 7.334 -2.543 88 2HB LYS 13 1HB LYS 13 -0.165 8.934 -1.812 89 1HG LYS 13 2HG LYS 13 -1.086 7.029 0.156 90 2HG LYS 13 1HG LYS 13 0.405 6.450 -0.584 91 1HD LYS 13 2HD LYS 13 0.769 9.219 -0.171 92 2HD LYS 13 1HD LYS 13 0.042 8.598 1.311 93 1HE LYS 13 2HE LYS 13 1.839 6.650 0.949 94 2HE LYS 13 1HE LYS 13 2.693 7.945 0.088 95 1HZ LYS 13 1HZ LYS 13 1.413 8.557 2.658 96 2HZ LYS 13 2HZ LYS 13 2.786 9.258 1.944 97 3HZ LYS 13 3HZ LYS 13 2.893 7.729 2.677 98 H CYS 14 H CYS 14 -1.319 6.902 -3.948 99 HA CYS 14 HA CYS 14 -3.340 8.262 -5.690 100 1HB CYS 14 2HB CYS 14 -1.431 8.415 -7.338 101 2HB CYS 14 1HB CYS 14 -1.217 9.412 -5.893 102 H ASN 15 H ASN 15 -1.117 5.534 -5.223 103 HA ASN 15 HA ASN 15 -2.654 4.015 -7.302 104 1HB ASN 15 2HB ASN 15 0.135 3.380 -6.354 105 2HB ASN 15 1HB ASN 15 -0.609 3.012 -7.909 106 1HD2 ASN 15 1HD2 ASN 15 1.926 4.386 -7.678 107 2HD2 ASN 15 2HD2 ASN 15 1.715 5.970 -8.276 108 H THR 16 H THR 16 -1.883 1.473 -6.743 109 HA THR 16 HA THR 16 -2.857 1.039 -3.945 110 HB THR 16 HB THR 16 -3.441 -0.151 -6.615 111 HG1 THR 16 1HG THR 16 -5.159 0.831 -5.907 112 1HG2 THR 16 1HG2 THR 16 -4.430 -2.152 -5.194 113 2HG2 THR 16 2HG2 THR 16 -3.105 -1.742 -4.103 114 3HG2 THR 16 3HG2 THR 16 -2.764 -2.199 -5.772 115 H CYS 17 H CYS 17 -1.608 -0.304 -2.633 116 HA CYS 17 HA CYS 17 0.884 -1.431 -3.857 117 1HB CYS 17 2HB CYS 17 0.134 -0.120 -1.289 118 2HB CYS 17 1HB CYS 17 1.358 -1.391 -1.199 119 H ARG 18 H ARG 18 0.837 -3.613 -4.086 120 HA ARG 18 HA ARG 18 -1.171 -5.372 -3.119 121 1HB ARG 18 2HB ARG 18 0.268 -5.854 -5.009 122 2HB ARG 18 1HB ARG 18 1.702 -5.778 -3.988 123 1HG ARG 18 2HG ARG 18 0.967 -8.120 -4.459 124 2HG ARG 18 1HG ARG 18 0.983 -7.733 -2.740 125 1HD ARG 18 2HD ARG 18 -1.398 -7.494 -2.667 126 2HD ARG 18 1HD ARG 18 -1.517 -7.491 -4.438 127 HE ARG 18 HE ARG 18 -0.460 -9.871 -4.220 128 1HH1 ARG 18 1HH2 ARG 18 -3.368 -8.784 -3.065 129 2HH1 ARG 18 2HH2 ARG 18 -3.633 -10.079 -1.946 130 1HH2 ARG 18 1HH1 ARG 18 -0.434 -11.374 -2.277 131 2HH2 ARG 18 2HH1 ARG 18 -1.973 -11.545 -1.501 132 H CYS 19 H CYS 19 1.586 -4.065 -1.515 133 HA CYS 19 HA CYS 19 2.315 -4.312 0.722 134 1HB CYS 19 2HB CYS 19 -0.397 -5.052 0.633 135 2HB CYS 19 1HB CYS 19 0.411 -6.340 1.536 136 H GLY 20 H GLY 20 4.256 -5.384 0.531 137 1HA GLY 20 2HA GLY 20 4.655 -7.973 -0.552 138 2HA GLY 20 1HA GLY 20 5.785 -7.157 0.532 139 H SER 21 H SER 21 6.167 -9.316 1.457 140 HA SER 21 HA SER 21 3.932 -10.446 3.060 141 1HB SER 21 2HB SER 21 5.287 -11.902 1.608 142 2HB SER 21 1HB SER 21 6.749 -11.388 2.444 143 HG SER 21 HG SER 21 4.574 -12.914 3.412 144 H ASP 22 H ASP 22 6.504 -8.276 3.447 145 HA ASP 22 HA ASP 22 7.240 -9.010 6.188 146 1HB ASP 22 2HB ASP 22 7.754 -6.609 4.405 147 2HB ASP 22 1HB ASP 22 8.512 -6.847 5.984 148 H GLY 23 H GLY 23 4.790 -7.068 4.669 149 1HA GLY 23 2HA GLY 23 2.928 -6.031 5.709 150 2HA GLY 23 1HA GLY 23 3.626 -6.433 7.283 151 H LYS 24 H LYS 24 6.137 -5.092 5.718 152 HA LYS 24 HA LYS 24 5.366 -2.279 6.417 153 1HB LYS 24 2HB LYS 24 6.672 -3.472 8.201 154 2HB LYS 24 1HB LYS 24 7.980 -3.694 7.037 155 1HG LYS 24 2HG LYS 24 8.706 -1.580 7.330 156 2HG LYS 24 1HG LYS 24 7.081 -0.928 7.105 157 1HD LYS 24 2HD LYS 24 7.957 -2.247 9.682 158 2HD LYS 24 1HD LYS 24 8.136 -0.516 9.395 159 1HE LYS 24 2HE LYS 24 5.530 -2.082 9.344 160 2HE LYS 24 1HE LYS 24 6.018 -0.876 10.551 161 1HZ LYS 24 1HZ LYS 24 4.834 0.411 9.072 162 2HZ LYS 24 2HZ LYS 24 5.323 -0.487 7.716 163 3HZ LYS 24 3HZ LYS 24 6.407 0.588 8.462 164 H SER 25 H SER 25 5.989 -4.091 3.882 165 HA SER 25 HA SER 25 7.353 -1.931 2.405 166 1HB SER 25 2HB SER 25 8.604 -4.603 2.078 167 2HB SER 25 1HB SER 25 9.356 -3.006 2.109 168 HG SER 25 HG SER 25 9.585 -4.602 3.988 169 H ALA 26 H ALA 26 6.635 -1.925 0.281 170 HA ALA 26 HA ALA 26 5.731 -4.372 -1.052 171 1HB ALA 26 1HB ALA 26 3.622 -2.281 -0.653 172 2HB ALA 26 2HB ALA 26 3.953 -3.407 0.664 173 3HB ALA 26 3HB ALA 26 3.436 -4.017 -0.908 174 H ALA 27 H ALA 27 4.283 -3.437 -3.097 175 HA ALA 27 HA ALA 27 5.780 -1.075 -4.185 176 1HB ALA 27 1HB ALA 27 6.794 -2.915 -5.238 177 2HB ALA 27 2HB ALA 27 5.525 -2.487 -6.385 178 3HB ALA 27 3HB ALA 27 5.291 -3.838 -5.277 179 H CYS 28 H CYS 28 4.513 0.268 -5.558 180 HA CYS 28 HA CYS 28 1.593 -0.381 -5.568 181 1HB CYS 28 2HB CYS 28 3.228 1.982 -4.946 182 2HB CYS 28 1HB CYS 28 1.868 2.337 -6.017 183 H THR 29 H THR 29 0.412 0.096 -7.533 184 HA THR 29 HA THR 29 1.620 -0.572 -9.977 185 HB THR 29 HB THR 29 -0.439 0.667 -10.911 186 HG1 THR 29 1HG THR 29 -1.700 1.676 -9.515 187 1HG2 THR 29 1HG2 THR 29 -1.877 -1.072 -10.213 188 2HG2 THR 29 2HG2 THR 29 -1.095 -1.201 -8.638 189 3HG2 THR 29 3HG2 THR 29 -0.263 -1.773 -10.085 190 H ARG 30 H ARG 30 0.205 2.547 -10.399 191 HA ARG 30 HA ARG 30 2.532 4.211 -10.162 192 1HB ARG 30 2HB ARG 30 3.205 4.241 -12.537 193 2HB ARG 30 1HB ARG 30 3.350 2.613 -11.873 194 1HG ARG 30 2HG ARG 30 0.680 2.956 -12.861 195 2HG ARG 30 1HG ARG 30 1.814 3.449 -14.119 196 1HD ARG 30 2HD ARG 30 3.014 1.160 -13.173 197 2HD ARG 30 1HD ARG 30 1.291 0.758 -13.037 198 HE ARG 30 HE ARG 30 1.199 1.734 -15.475 199 1HH1 ARG 30 1HH2 ARG 30 4.377 1.466 -14.815 200 2HH1 ARG 30 2HH2 ARG 30 4.741 0.214 -15.956 201 1HH2 ARG 30 1HH1 ARG 30 1.414 -0.510 -16.621 202 2HH2 ARG 30 2HH1 ARG 30 3.062 -0.903 -16.980 203 H MET 31 H MET 31 -0.424 4.347 -9.865 204 HA MET 31 HA MET 31 -1.707 5.780 -11.931 205 1HB MET 31 2HB MET 31 -2.314 4.875 -9.422 206 2HB MET 31 1HB MET 31 -2.300 6.615 -9.153 207 1HG MET 31 2HG MET 31 -4.534 6.041 -9.812 208 2HG MET 31 1HG MET 31 -3.786 6.846 -11.190 209 1HE MET 31 1HE MET 31 -5.829 5.182 -13.070 210 2HE MET 31 2HE MET 31 -6.137 5.711 -11.418 211 3HE MET 31 3HE MET 31 -6.408 4.027 -11.862 212 H ALA 32 H ALA 32 -0.846 7.600 -8.958 213 HA ALA 32 HA ALA 32 1.129 9.351 -9.797 214 1HB ALA 32 1HB ALA 32 -0.538 11.220 -10.713 215 2HB ALA 32 2HB ALA 32 -1.503 9.810 -11.151 216 3HB ALA 32 3HB ALA 32 0.130 9.996 -11.793 217 H CYS 33 H CYS 33 1.511 10.380 -7.858 218 HA CYS 33 HA CYS 33 -0.876 11.310 -6.296 219 1HB CYS 33 2HB CYS 33 1.426 11.046 -4.616 220 2HB CYS 33 1HB CYS 33 -0.063 10.110 -4.567 221 HA PRO 34 HA PRO 34 0.813 15.343 -6.263 222 1HB PRO 34 2HB PRO 34 0.412 16.182 -3.690 223 2HB PRO 34 1HB PRO 34 -0.912 15.972 -4.855 224 1HG PRO 34 2HG PRO 34 -0.038 14.187 -2.646 225 2HG PRO 34 1HG PRO 34 -1.670 14.554 -3.223 226 1HD PRO 34 2HD PRO 34 -0.314 12.253 -3.830 227 2HD PRO 34 1HD PRO 34 -1.592 12.954 -4.852 228 H GLN 35 H GLN 35 1.974 13.215 -3.691 229 HA GLN 35 HA GLN 35 4.407 14.865 -3.288 230 1HB GLN 35 2HB GLN 35 2.797 13.322 -1.671 231 2HB GLN 35 1HB GLN 35 4.155 12.237 -1.972 232 1HG GLN 35 2HG GLN 35 5.530 13.452 -0.659 233 2HG GLN 35 1HG GLN 35 5.049 14.959 -1.439 234 1HE2 GLN 35 1HE2 GLN 35 2.436 15.328 -0.812 235 2HE2 GLN 35 2HE2 GLN 35 2.181 15.317 0.866 Start of MODEL 6 1 1H GLU 1 1HT GLU 1 3.030 5.960 3.976 2 2H GLU 1 2HT GLU 1 4.431 5.803 3.029 3 3H GLU 1 3HT GLU 1 4.503 6.593 4.532 4 HA GLU 1 HA GLU 1 5.337 4.159 4.365 5 1HB GLU 1 2HB GLU 1 4.680 3.955 6.715 6 2HB GLU 1 1HB GLU 1 5.054 5.640 6.361 7 1HG GLU 1 2HG GLU 1 2.232 4.807 5.940 8 2HG GLU 1 1HG GLU 1 2.784 4.882 7.614 9 H VAL 2 H VAL 2 4.346 2.007 5.139 10 HA VAL 2 HA VAL 2 1.540 1.637 4.181 11 HB VAL 2 HB VAL 2 3.186 1.213 2.349 12 1HG1 VAL 2 1HG1 VAL 2 4.990 -0.172 2.594 13 2HG1 VAL 2 2HG1 VAL 2 4.138 -1.256 3.695 14 3HG1 VAL 2 3HG1 VAL 2 4.808 0.262 4.294 15 1HG2 VAL 2 1HG2 VAL 2 2.265 -1.520 3.058 16 2HG2 VAL 2 2HG2 VAL 2 1.993 -0.588 1.585 17 3HG2 VAL 2 3HG2 VAL 2 1.018 -0.273 3.020 18 H THR 3 H THR 3 1.308 1.471 6.627 19 HA THR 3 HA THR 3 2.548 -0.738 8.050 20 HB THR 3 HB THR 3 1.608 1.454 8.959 21 HG1 THR 3 1HG THR 3 1.102 -1.103 9.942 22 1HG2 THR 3 1HG2 THR 3 -0.653 0.691 7.591 23 2HG2 THR 3 2HG2 THR 3 -0.609 1.915 8.859 24 3HG2 THR 3 3HG2 THR 3 -1.060 0.257 9.251 25 H CYS 4 H CYS 4 0.146 -0.645 5.694 26 HA CYS 4 HA CYS 4 -1.928 -2.320 6.419 27 1HB CYS 4 2HB CYS 4 -2.035 -1.606 4.234 28 2HB CYS 4 1HB CYS 4 -0.299 -1.784 3.983 29 H GLU 5 H GLU 5 -2.158 -4.727 5.886 30 HA GLU 5 HA GLU 5 0.082 -6.215 7.147 31 1HB GLU 5 2HB GLU 5 -2.836 -6.405 6.865 32 2HB GLU 5 1HB GLU 5 -2.020 -7.956 6.658 33 1HG GLU 5 2HG GLU 5 -0.692 -6.914 8.824 34 2HG GLU 5 1HG GLU 5 -2.328 -6.309 9.080 35 HA PRO 6 HA PRO 6 1.471 -7.846 3.306 36 1HB PRO 6 2HB PRO 6 2.570 -10.193 4.195 37 2HB PRO 6 1HB PRO 6 3.329 -8.608 4.451 38 1HG PRO 6 2HG PRO 6 1.687 -10.242 6.331 39 2HG PRO 6 1HG PRO 6 3.162 -9.307 6.641 40 1HD PRO 6 2HD PRO 6 0.695 -8.398 7.291 41 2HD PRO 6 1HD PRO 6 2.024 -7.314 6.814 42 H GLY 7 H GLY 7 -0.023 -8.626 1.858 43 1HA GLY 7 2HA GLY 7 -0.848 -10.915 1.043 44 2HA GLY 7 1HA GLY 7 -1.592 -11.049 2.640 45 H THR 8 H THR 8 -1.462 -8.044 0.784 46 HA THR 8 HA THR 8 -4.172 -8.302 -0.274 47 HB THR 8 HB THR 8 -4.119 -6.126 1.695 48 HG1 THR 8 1HG THR 8 -3.330 -7.267 3.249 49 1HG2 THR 8 1HG2 THR 8 -6.343 -6.701 1.948 50 2HG2 THR 8 2HG2 THR 8 -6.033 -8.421 1.717 51 3HG2 THR 8 3HG2 THR 8 -6.040 -7.331 0.329 52 H THR 9 H THR 9 -4.877 -6.250 -1.308 53 HA THR 9 HA THR 9 -2.583 -4.408 -1.925 54 HB THR 9 HB THR 9 -3.319 -6.099 -3.702 55 HG1 THR 9 1HG THR 9 -2.565 -3.679 -3.917 56 1HG2 THR 9 1HG2 THR 9 -5.480 -6.229 -4.323 57 2HG2 THR 9 2HG2 THR 9 -5.586 -4.481 -4.533 58 3HG2 THR 9 3HG2 THR 9 -5.853 -5.195 -2.943 59 H PHE 10 H PHE 10 -3.330 -2.159 -2.429 60 HA PHE 10 HA PHE 10 -6.128 -1.448 -1.986 61 1HB PHE 10 2HB PHE 10 -5.639 -0.238 0.158 62 2HB PHE 10 1HB PHE 10 -5.462 -1.988 0.290 63 HD1 PHE 10 1HD PHE 10 -3.240 -3.029 0.454 64 HD2 PHE 10 2HD PHE 10 -3.705 1.231 0.183 65 HE1 PHE 10 1HE PHE 10 -0.879 -2.725 1.157 66 HE2 PHE 10 2HE PHE 10 -1.346 1.537 0.885 67 HZ PHE 10 HZ PHE 10 0.069 -0.441 1.371 68 H LYS 11 H LYS 11 -6.529 0.645 -2.682 69 HA LYS 11 HA LYS 11 -4.371 2.059 -4.076 70 1HB LYS 11 2HB LYS 11 -6.562 1.906 -5.075 71 2HB LYS 11 1HB LYS 11 -7.329 2.532 -3.614 72 1HG LYS 11 2HG LYS 11 -5.282 4.360 -4.536 73 2HG LYS 11 1HG LYS 11 -6.438 4.028 -5.828 74 1HD LYS 11 2HD LYS 11 -7.309 4.734 -3.019 75 2HD LYS 11 1HD LYS 11 -7.037 5.958 -4.259 76 1HE LYS 11 2HE LYS 11 -8.731 4.942 -5.701 77 2HE LYS 11 1HE LYS 11 -8.956 3.617 -4.541 78 1HZ LYS 11 1HZ LYS 11 -9.305 5.508 -2.859 79 2HZ LYS 11 2HZ LYS 11 -10.581 5.130 -3.916 80 3HZ LYS 11 3HZ LYS 11 -9.595 6.482 -4.217 81 H ASP 12 H ASP 12 -2.971 3.190 -2.734 82 HA ASP 12 HA ASP 12 -4.218 5.098 -0.789 83 1HB ASP 12 2HB ASP 12 -2.762 2.774 -0.219 84 2HB ASP 12 1HB ASP 12 -1.599 4.085 -0.005 85 H LYS 13 H LYS 13 -2.993 7.044 -0.485 86 HA LYS 13 HA LYS 13 -1.538 8.784 -1.113 87 1HB LYS 13 2HB LYS 13 0.076 6.549 -2.377 88 2HB LYS 13 1HB LYS 13 0.673 8.097 -1.779 89 1HG LYS 13 2HG LYS 13 -0.811 6.587 0.251 90 2HG LYS 13 1HG LYS 13 0.620 5.738 -0.334 91 1HD LYS 13 2HD LYS 13 1.230 7.164 1.556 92 2HD LYS 13 1HD LYS 13 1.968 7.790 0.081 93 1HE LYS 13 2HE LYS 13 0.126 9.432 -0.147 94 2HE LYS 13 1HE LYS 13 -0.592 8.820 1.356 95 1HZ LYS 13 1HZ LYS 13 2.113 10.003 1.027 96 2HZ LYS 13 2HZ LYS 13 1.570 9.249 2.450 97 3HZ LYS 13 3HZ LYS 13 0.814 10.667 1.895 98 H CYS 14 H CYS 14 -0.883 6.654 -3.914 99 HA CYS 14 HA CYS 14 -2.506 8.483 -5.627 100 1HB CYS 14 2HB CYS 14 -0.488 8.560 -7.145 101 2HB CYS 14 1HB CYS 14 -0.271 9.385 -5.598 102 H ASN 15 H ASN 15 -1.796 5.319 -4.802 103 HA ASN 15 HA ASN 15 -3.167 4.229 -7.102 104 1HB ASN 15 2HB ASN 15 -1.050 3.088 -7.994 105 2HB ASN 15 1HB ASN 15 -1.160 4.826 -8.267 106 1HD2 ASN 15 1HD2 ASN 15 1.100 5.302 -8.204 107 2HD2 ASN 15 2HD2 ASN 15 2.052 5.073 -6.808 108 H THR 16 H THR 16 -2.750 1.709 -7.152 109 HA THR 16 HA THR 16 -3.192 0.701 -4.452 110 HB THR 16 HB THR 16 -2.901 -0.593 -7.176 111 HG1 THR 16 1HG THR 16 -5.327 -0.669 -6.002 112 1HG2 THR 16 1HG2 THR 16 -3.305 -1.714 -4.455 113 2HG2 THR 16 2HG2 THR 16 -2.583 -2.456 -5.884 114 3HG2 THR 16 3HG2 THR 16 -4.337 -2.363 -5.730 115 H CYS 17 H CYS 17 -1.737 -0.416 -3.162 116 HA CYS 17 HA CYS 17 0.972 -0.974 -4.320 117 1HB CYS 17 2HB CYS 17 0.192 0.904 -2.358 118 2HB CYS 17 1HB CYS 17 1.001 -0.401 -1.483 119 H ARG 18 H ARG 18 0.378 -3.215 -4.579 120 HA ARG 18 HA ARG 18 -0.862 -4.980 -2.843 121 1HB ARG 18 2HB ARG 18 0.035 -5.564 -5.037 122 2HB ARG 18 1HB ARG 18 1.679 -5.312 -4.461 123 1HG ARG 18 2HG ARG 18 1.393 -7.654 -4.337 124 2HG ARG 18 1HG ARG 18 1.130 -7.103 -2.682 125 1HD ARG 18 2HD ARG 18 -1.263 -7.256 -2.921 126 2HD ARG 18 1HD ARG 18 -1.125 -7.526 -4.671 127 HE ARG 18 HE ARG 18 0.165 -9.442 -2.780 128 1HH1 ARG 18 1HH2 ARG 18 -2.765 -9.933 -3.107 129 2HH1 ARG 18 2HH2 ARG 18 -2.808 -11.020 -4.455 130 1HH2 ARG 18 1HH1 ARG 18 0.431 -10.306 -5.470 131 2HH2 ARG 18 2HH1 ARG 18 -0.996 -11.236 -5.788 132 H CYS 19 H CYS 19 -0.573 -4.963 -0.649 133 HA CYS 19 HA CYS 19 1.661 -4.211 0.851 134 1HB CYS 19 2HB CYS 19 -0.850 -5.344 1.224 135 2HB CYS 19 1HB CYS 19 0.248 -6.560 1.879 136 H GLY 20 H GLY 20 3.690 -5.099 1.080 137 1HA GLY 20 2HA GLY 20 4.440 -7.469 -0.395 138 2HA GLY 20 1HA GLY 20 5.483 -6.577 0.719 139 H SER 21 H SER 21 5.938 -9.088 1.045 140 HA SER 21 HA SER 21 4.046 -10.258 3.027 141 1HB SER 21 2HB SER 21 6.516 -11.391 1.679 142 2HB SER 21 1HB SER 21 5.309 -12.303 2.578 143 HG SER 21 HG SER 21 5.304 -11.635 0.011 144 H ASP 22 H ASP 22 6.540 -8.146 3.156 145 HA ASP 22 HA ASP 22 8.138 -9.376 5.293 146 1HB ASP 22 2HB ASP 22 8.079 -6.898 3.646 147 2HB ASP 22 1HB ASP 22 8.852 -6.763 5.229 148 H GLY 23 H GLY 23 5.406 -7.177 5.019 149 1HA GLY 23 2HA GLY 23 3.977 -7.237 7.145 150 2HA GLY 23 1HA GLY 23 5.469 -6.802 7.985 151 H LYS 24 H LYS 24 6.521 -4.886 6.252 152 HA LYS 24 HA LYS 24 4.372 -2.818 6.026 153 1HB LYS 24 2HB LYS 24 6.029 -1.257 7.147 154 2HB LYS 24 1HB LYS 24 5.396 -2.528 8.195 155 1HG LYS 24 2HG LYS 24 7.823 -3.263 6.674 156 2HG LYS 24 1HG LYS 24 8.058 -2.001 7.885 157 1HD LYS 24 2HD LYS 24 7.841 -3.465 9.587 158 2HD LYS 24 1HD LYS 24 6.388 -4.176 8.884 159 1HE LYS 24 2HE LYS 24 7.896 -5.979 8.794 160 2HE LYS 24 1HE LYS 24 8.113 -5.260 7.187 161 1HZ LYS 24 1HZ LYS 24 10.173 -5.645 8.706 162 2HZ LYS 24 2HZ LYS 24 9.656 -4.214 9.460 163 3HZ LYS 24 3HZ LYS 24 10.045 -4.214 7.807 164 H SER 25 H SER 25 5.211 -3.963 3.733 165 HA SER 25 HA SER 25 6.683 -1.802 2.398 166 1HB SER 25 2HB SER 25 7.890 -4.541 2.168 167 2HB SER 25 1HB SER 25 8.660 -2.966 1.969 168 HG SER 25 HG SER 25 9.134 -4.143 3.970 169 H ALA 26 H ALA 26 6.096 -1.732 0.226 170 HA ALA 26 HA ALA 26 5.195 -4.118 -1.214 171 1HB ALA 26 1HB ALA 26 2.898 -2.692 -1.476 172 2HB ALA 26 2HB ALA 26 3.357 -2.240 0.165 173 3HB ALA 26 3HB ALA 26 3.125 -3.936 -0.249 174 H ALA 27 H ALA 27 4.316 -3.418 -3.445 175 HA ALA 27 HA ALA 27 5.790 -0.963 -4.340 176 1HB ALA 27 1HB ALA 27 5.520 -2.264 -6.589 177 2HB ALA 27 2HB ALA 27 5.131 -3.637 -5.553 178 3HB ALA 27 3HB ALA 27 6.702 -2.845 -5.416 179 H CYS 28 H CYS 28 4.636 0.573 -5.543 180 HA CYS 28 HA CYS 28 1.699 0.222 -5.556 181 1HB CYS 28 2HB CYS 28 3.666 2.480 -5.743 182 2HB CYS 28 1HB CYS 28 2.029 2.732 -6.355 183 H THR 29 H THR 29 0.495 0.155 -7.472 184 HA THR 29 HA THR 29 1.632 -0.836 -9.860 185 HB THR 29 HB THR 29 -0.584 -0.167 -10.814 186 HG1 THR 29 1HG THR 29 -1.867 1.168 -9.718 187 1HG2 THR 29 1HG2 THR 29 -0.561 -2.222 -9.599 188 2HG2 THR 29 2HG2 THR 29 -1.968 -1.333 -9.016 189 3HG2 THR 29 3HG2 THR 29 -0.494 -1.383 -8.049 190 H ARG 30 H ARG 30 -0.014 2.290 -9.946 191 HA ARG 30 HA ARG 30 1.824 3.308 -11.971 192 1HB ARG 30 2HB ARG 30 -0.767 3.693 -11.400 193 2HB ARG 30 1HB ARG 30 -0.101 5.038 -10.468 194 1HG ARG 30 2HG ARG 30 0.480 6.202 -12.333 195 2HG ARG 30 1HG ARG 30 1.031 4.755 -13.178 196 1HD ARG 30 2HD ARG 30 -1.755 4.429 -12.947 197 2HD ARG 30 1HD ARG 30 -1.517 6.126 -13.413 198 HE ARG 30 HE ARG 30 0.083 4.107 -14.875 199 1HH1 ARG 30 1HH2 ARG 30 -3.129 4.848 -14.978 200 2HH1 ARG 30 2HH2 ARG 30 -3.135 5.520 -16.574 201 1HH2 ARG 30 1HH1 ARG 30 0.321 5.590 -16.844 202 2HH2 ARG 30 2HH1 ARG 30 -1.182 5.944 -17.628 203 H MET 31 H MET 31 1.507 6.077 -10.625 204 HA MET 31 HA MET 31 3.000 6.122 -8.186 205 1HB MET 31 2HB MET 31 4.474 5.267 -10.383 206 2HB MET 31 1HB MET 31 4.892 6.975 -10.257 207 1HG MET 31 2HG MET 31 5.505 6.685 -7.906 208 2HG MET 31 1HG MET 31 5.010 4.993 -7.965 209 1HE MET 31 1HE MET 31 8.481 7.280 -9.313 210 2HE MET 31 2HE MET 31 6.783 7.705 -9.513 211 3HE MET 31 3HE MET 31 7.654 6.942 -10.840 212 H ALA 32 H ALA 32 1.030 7.732 -8.446 213 HA ALA 32 HA ALA 32 2.157 10.365 -9.375 214 1HB ALA 32 1HB ALA 32 0.584 9.873 -11.024 215 2HB ALA 32 2HB ALA 32 -0.416 10.745 -9.861 216 3HB ALA 32 3HB ALA 32 -0.452 8.983 -9.907 217 H CYS 33 H CYS 33 2.668 10.337 -6.898 218 HA CYS 33 HA CYS 33 0.244 11.314 -5.431 219 1HB CYS 33 2HB CYS 33 2.176 10.424 -3.556 220 2HB CYS 33 1HB CYS 33 0.634 9.665 -3.938 221 HA PRO 34 HA PRO 34 2.660 14.977 -4.993 222 1HB PRO 34 2HB PRO 34 1.037 16.260 -3.208 223 2HB PRO 34 1HB PRO 34 0.643 16.106 -4.931 224 1HG PRO 34 2HG PRO 34 -0.407 14.587 -2.606 225 2HG PRO 34 1HG PRO 34 -1.229 15.100 -4.087 226 1HD PRO 34 2HD PRO 34 -0.315 12.545 -3.611 227 2HD PRO 34 1HD PRO 34 -0.605 13.232 -5.225 228 H GLN 35 H GLN 35 1.464 13.228 -2.149 229 HA GLN 35 HA GLN 35 4.015 13.930 -0.741 230 1HB GLN 35 2HB GLN 35 1.242 14.550 -0.102 231 2HB GLN 35 1HB GLN 35 2.008 13.637 1.198 232 1HG GLN 35 2HG GLN 35 3.085 16.174 -0.068 233 2HG GLN 35 1HG GLN 35 2.364 16.042 1.538 234 1HE2 GLN 35 1HE2 GLN 35 3.684 13.337 1.959 235 2HE2 GLN 35 2HE2 GLN 35 5.309 13.694 2.293 Start of MODEL 7 1 1H GLU 1 1HT GLU 1 6.852 3.448 3.784 2 2H GLU 1 2HT GLU 1 7.352 4.606 4.922 3 3H GLU 1 3HT GLU 1 5.821 4.729 4.199 4 HA GLU 1 HA GLU 1 6.679 2.528 6.013 5 1HB GLU 1 2HB GLU 1 5.409 3.709 7.678 6 2HB GLU 1 1HB GLU 1 6.449 4.911 6.912 7 1HG GLU 1 2HG GLU 1 4.533 5.460 5.363 8 2HG GLU 1 1HG GLU 1 3.515 4.414 6.353 9 H VAL 2 H VAL 2 4.783 1.192 6.629 10 HA VAL 2 HA VAL 2 2.328 1.441 5.014 11 HB VAL 2 HB VAL 2 4.477 -0.640 4.596 12 1HG1 VAL 2 1HG1 VAL 2 2.658 -2.089 4.779 13 2HG1 VAL 2 2HG1 VAL 2 2.593 -1.667 3.068 14 3HG1 VAL 2 3HG1 VAL 2 1.508 -0.879 4.213 15 1HG2 VAL 2 1HG2 VAL 2 3.736 -0.078 2.170 16 2HG2 VAL 2 2HG2 VAL 2 4.671 1.132 3.048 17 3HG2 VAL 2 3HG2 VAL 2 2.923 1.308 2.897 18 H THR 3 H THR 3 1.042 1.305 6.870 19 HA THR 3 HA THR 3 1.567 -0.758 8.917 20 HB THR 3 HB THR 3 0.860 1.487 9.562 21 HG1 THR 3 1HG THR 3 -1.280 0.829 10.508 22 1HG2 THR 3 1HG2 THR 3 -0.944 1.108 7.313 23 2HG2 THR 3 2HG2 THR 3 -0.453 2.603 8.110 24 3HG2 THR 3 3HG2 THR 3 -1.808 1.668 8.744 25 H CYS 4 H CYS 4 0.595 -1.287 6.001 26 HA CYS 4 HA CYS 4 -2.051 -2.510 6.447 27 1HB CYS 4 2HB CYS 4 -1.976 -1.635 4.326 28 2HB CYS 4 1HB CYS 4 -0.223 -1.784 4.221 29 H GLU 5 H GLU 5 -2.314 -4.854 5.697 30 HA GLU 5 HA GLU 5 -0.263 -6.529 7.026 31 1HB GLU 5 2HB GLU 5 -2.983 -7.130 5.809 32 2HB GLU 5 1HB GLU 5 -2.033 -8.251 6.786 33 1HG GLU 5 2HG GLU 5 -2.847 -5.519 7.794 34 2HG GLU 5 1HG GLU 5 -3.851 -6.950 8.028 35 HA PRO 6 HA PRO 6 1.571 -7.829 3.258 36 1HB PRO 6 2HB PRO 6 2.423 -10.331 3.986 37 2HB PRO 6 1HB PRO 6 3.215 -8.839 4.532 38 1HG PRO 6 2HG PRO 6 1.262 -10.580 5.965 39 2HG PRO 6 1HG PRO 6 2.712 -9.762 6.580 40 1HD PRO 6 2HD PRO 6 0.202 -8.814 6.987 41 2HD PRO 6 1HD PRO 6 1.628 -7.756 6.856 42 H GLY 7 H GLY 7 1.089 -9.153 1.428 43 1HA GLY 7 2HA GLY 7 -0.118 -10.727 0.141 44 2HA GLY 7 1HA GLY 7 -0.809 -11.366 1.638 45 H THR 8 H THR 8 -0.922 -7.955 0.768 46 HA THR 8 HA THR 8 -3.791 -8.215 0.002 47 HB THR 8 HB THR 8 -3.272 -6.044 1.899 48 HG1 THR 8 1HG THR 8 -2.902 -8.738 2.704 49 1HG2 THR 8 1HG2 THR 8 -5.357 -7.828 1.101 50 2HG2 THR 8 2HG2 THR 8 -5.472 -6.405 2.136 51 3HG2 THR 8 3HG2 THR 8 -5.133 -7.984 2.843 52 H THR 9 H THR 9 -4.632 -6.017 -0.742 53 HA THR 9 HA THR 9 -2.463 -4.246 -1.795 54 HB THR 9 HB THR 9 -3.005 -5.760 -3.587 55 HG1 THR 9 1HG THR 9 -4.721 -3.590 -4.096 56 1HG2 THR 9 1HG2 THR 9 -5.921 -5.130 -3.056 57 2HG2 THR 9 2HG2 THR 9 -5.107 -6.607 -2.537 58 3HG2 THR 9 3HG2 THR 9 -5.291 -6.258 -4.257 59 H PHE 10 H PHE 10 -3.443 -2.110 -2.554 60 HA PHE 10 HA PHE 10 -6.133 -1.359 -1.888 61 1HB PHE 10 2HB PHE 10 -5.529 -0.099 0.225 62 2HB PHE 10 1HB PHE 10 -5.448 -1.853 0.379 63 HD1 PHE 10 1HD PHE 10 -3.302 -3.016 0.528 64 HD2 PHE 10 2HD PHE 10 -3.497 1.261 0.161 65 HE1 PHE 10 1HE PHE 10 -0.913 -2.850 1.180 66 HE2 PHE 10 2HE PHE 10 -1.110 1.426 0.814 67 HZ PHE 10 HZ PHE 10 0.182 -0.629 1.322 68 H LYS 11 H LYS 11 -6.485 0.930 -2.247 69 HA LYS 11 HA LYS 11 -4.401 2.180 -3.921 70 1HB LYS 11 2HB LYS 11 -6.993 1.994 -4.263 71 2HB LYS 11 1HB LYS 11 -7.056 3.376 -3.168 72 1HG LYS 11 2HG LYS 11 -5.435 4.568 -4.661 73 2HG LYS 11 1HG LYS 11 -5.545 3.218 -5.791 74 1HD LYS 11 2HD LYS 11 -8.157 3.680 -5.523 75 2HD LYS 11 1HD LYS 11 -7.581 5.298 -5.118 76 1HE LYS 11 2HE LYS 11 -6.853 5.715 -7.255 77 2HE LYS 11 1HE LYS 11 -6.341 4.035 -7.514 78 1HZ LYS 11 1HZ LYS 11 -9.132 5.053 -7.454 79 2HZ LYS 11 2HZ LYS 11 -8.717 3.407 -7.509 80 3HZ LYS 11 3HZ LYS 11 -8.310 4.433 -8.802 81 H ASP 12 H ASP 12 -2.791 3.045 -2.584 82 HA ASP 12 HA ASP 12 -3.715 5.001 -0.505 83 1HB ASP 12 2HB ASP 12 -2.290 2.649 -0.187 84 2HB ASP 12 1HB ASP 12 -1.014 3.872 -0.236 85 H LYS 13 H LYS 13 -2.281 6.859 -0.225 86 HA LYS 13 HA LYS 13 -0.980 8.637 -1.043 87 1HB LYS 13 2HB LYS 13 0.415 6.495 -2.668 88 2HB LYS 13 1HB LYS 13 1.108 7.961 -1.973 89 1HG LYS 13 2HG LYS 13 -0.125 6.342 0.096 90 2HG LYS 13 1HG LYS 13 1.064 5.404 -0.805 91 1HD LYS 13 2HD LYS 13 2.824 6.788 -0.195 92 2HD LYS 13 1HD LYS 13 1.776 8.187 0.045 93 1HE LYS 13 2HE LYS 13 1.699 7.719 2.258 94 2HE LYS 13 1HE LYS 13 0.953 6.152 1.886 95 1HZ LYS 13 1HZ LYS 13 3.009 5.698 2.956 96 2HZ LYS 13 2HZ LYS 13 3.848 6.797 1.968 97 3HZ LYS 13 3HZ LYS 13 3.234 5.356 1.310 98 H CYS 14 H CYS 14 -0.752 6.662 -4.033 99 HA CYS 14 HA CYS 14 -2.849 8.271 -5.329 100 1HB CYS 14 2HB CYS 14 -1.299 9.324 -6.903 101 2HB CYS 14 1HB CYS 14 -0.826 9.718 -5.248 102 H ASN 15 H ASN 15 -1.790 5.349 -4.906 103 HA ASN 15 HA ASN 15 -2.785 4.322 -7.421 104 1HB ASN 15 2HB ASN 15 -0.211 3.168 -7.498 105 2HB ASN 15 1HB ASN 15 -0.857 4.372 -8.608 106 1HD2 ASN 15 1HD2 ASN 15 1.026 5.598 -8.915 107 2HD2 ASN 15 2HD2 ASN 15 1.793 6.459 -7.669 108 H THR 16 H THR 16 -2.877 1.930 -7.375 109 HA THR 16 HA THR 16 -3.482 0.856 -4.806 110 HB THR 16 HB THR 16 -2.640 -0.665 -7.288 111 HG1 THR 16 1HG THR 16 -4.554 -0.195 -8.147 112 1HG2 THR 16 1HG2 THR 16 -3.082 -1.990 -5.247 113 2HG2 THR 16 2HG2 THR 16 -4.300 -2.290 -6.489 114 3HG2 THR 16 3HG2 THR 16 -4.675 -1.245 -5.118 115 H CYS 17 H CYS 17 -2.255 -0.652 -3.509 116 HA CYS 17 HA CYS 17 0.627 -0.936 -4.220 117 1HB CYS 17 2HB CYS 17 -0.562 0.194 -1.672 118 2HB CYS 17 1HB CYS 17 1.144 -0.228 -1.859 119 H ARG 18 H ARG 18 0.865 -3.130 -4.266 120 HA ARG 18 HA ARG 18 -0.761 -4.931 -2.638 121 1HB ARG 18 2HB ARG 18 0.032 -5.451 -4.920 122 2HB ARG 18 1HB ARG 18 1.702 -5.348 -4.365 123 1HG ARG 18 2HG ARG 18 1.446 -7.607 -4.098 124 2HG ARG 18 1HG ARG 18 0.737 -7.114 -2.560 125 1HD ARG 18 2HD ARG 18 -1.237 -8.026 -3.183 126 2HD ARG 18 1HD ARG 18 -1.291 -6.948 -4.592 127 HE ARG 18 HE ARG 18 0.589 -9.104 -5.010 128 1HH1 ARG 18 1HH2 ARG 18 -2.317 -7.734 -5.968 129 2HH1 ARG 18 2HH2 ARG 18 -2.978 -9.179 -6.656 130 1HH2 ARG 18 1HH1 ARG 18 -0.438 -11.219 -5.469 131 2HH2 ARG 18 2HH1 ARG 18 -1.913 -11.154 -6.374 132 H CYS 19 H CYS 19 -0.368 -5.013 -0.507 133 HA CYS 19 HA CYS 19 1.950 -4.296 0.907 134 1HB CYS 19 2HB CYS 19 -0.599 -5.437 1.308 135 2HB CYS 19 1HB CYS 19 0.543 -6.539 2.072 136 H GLY 20 H GLY 20 3.921 -5.317 1.203 137 1HA GLY 20 2HA GLY 20 4.594 -7.664 -0.342 138 2HA GLY 20 1HA GLY 20 5.639 -6.885 0.852 139 H SER 21 H SER 21 6.076 -9.303 1.277 140 HA SER 21 HA SER 21 3.962 -10.657 2.854 141 1HB SER 21 2HB SER 21 5.398 -11.796 1.131 142 2HB SER 21 1HB SER 21 6.796 -11.488 2.158 143 HG SER 21 HG SER 21 4.701 -13.282 2.459 144 H ASP 22 H ASP 22 6.718 -8.647 3.367 145 HA ASP 22 HA ASP 22 7.034 -9.589 6.180 146 1HB ASP 22 2HB ASP 22 8.679 -8.330 4.091 147 2HB ASP 22 1HB ASP 22 8.898 -7.604 5.687 148 H GLY 23 H GLY 23 4.904 -7.673 4.792 149 1HA GLY 23 2HA GLY 23 3.692 -5.776 5.454 150 2HA GLY 23 1HA GLY 23 4.305 -6.109 7.078 151 H LYS 24 H LYS 24 4.126 -3.534 6.731 152 HA LYS 24 HA LYS 24 5.305 -1.488 6.538 153 1HB LYS 24 2HB LYS 24 6.671 -3.394 8.022 154 2HB LYS 24 1HB LYS 24 7.902 -2.808 6.904 155 1HG LYS 24 2HG LYS 24 7.174 -0.445 7.555 156 2HG LYS 24 1HG LYS 24 6.263 -1.193 8.868 157 1HD LYS 24 2HD LYS 24 8.369 -2.294 9.645 158 2HD LYS 24 1HD LYS 24 9.251 -1.409 8.399 159 1HE LYS 24 2HE LYS 24 8.870 0.679 9.439 160 2HE LYS 24 1HE LYS 24 7.518 0.049 10.403 161 1HZ LYS 24 1HZ LYS 24 9.577 0.212 11.709 162 2HZ LYS 24 2HZ LYS 24 10.341 -0.856 10.630 163 3HZ LYS 24 3HZ LYS 24 9.036 -1.390 11.577 164 H SER 25 H SER 25 5.116 -3.349 4.077 165 HA SER 25 HA SER 25 6.842 -1.741 2.345 166 1HB SER 25 2HB SER 25 7.374 -4.713 2.490 167 2HB SER 25 1HB SER 25 8.355 -3.467 1.715 168 HG SER 25 HG SER 25 9.373 -3.548 3.569 169 H ALA 26 H ALA 26 5.741 -1.551 0.433 170 HA ALA 26 HA ALA 26 4.250 -3.851 -0.677 171 1HB ALA 26 1HB ALA 26 2.912 -2.410 1.089 172 2HB ALA 26 2HB ALA 26 2.123 -2.913 -0.406 173 3HB ALA 26 3HB ALA 26 2.759 -1.275 -0.253 174 H ALA 27 H ALA 27 4.030 -3.655 -2.931 175 HA ALA 27 HA ALA 27 5.372 -1.306 -4.181 176 1HB ALA 27 1HB ALA 27 6.245 -2.963 -5.449 177 2HB ALA 27 2HB ALA 27 4.627 -3.360 -6.028 178 3HB ALA 27 3HB ALA 27 5.263 -4.143 -4.581 179 H CYS 28 H CYS 28 4.268 -0.126 -5.870 180 HA CYS 28 HA CYS 28 1.307 -0.569 -5.881 181 1HB CYS 28 2HB CYS 28 2.828 2.017 -6.306 182 2HB CYS 28 1HB CYS 28 1.099 1.837 -5.996 183 H THR 29 H THR 29 0.224 -0.432 -7.865 184 HA THR 29 HA THR 29 1.358 -1.353 -10.220 185 HB THR 29 HB THR 29 -0.622 -0.199 -11.291 186 HG1 THR 29 1HG THR 29 -1.403 1.445 -10.280 187 1HG2 THR 29 1HG2 THR 29 -0.541 -2.310 -9.527 188 2HG2 THR 29 2HG2 THR 29 -1.951 -1.844 -10.477 189 3HG2 THR 29 3HG2 THR 29 -1.781 -1.279 -8.817 190 H ARG 30 H ARG 30 0.540 2.094 -9.756 191 HA ARG 30 HA ARG 30 2.536 2.810 -11.807 192 1HB ARG 30 2HB ARG 30 0.046 3.816 -10.796 193 2HB ARG 30 1HB ARG 30 1.271 5.084 -10.681 194 1HG ARG 30 2HG ARG 30 1.588 5.184 -12.962 195 2HG ARG 30 1HG ARG 30 1.174 3.486 -13.200 196 1HD ARG 30 2HD ARG 30 -0.976 4.024 -13.663 197 2HD ARG 30 1HD ARG 30 -1.108 4.965 -12.162 198 HE ARG 30 HE ARG 30 0.253 6.104 -14.571 199 1HH1 ARG 30 1HH1 ARG 30 0.194 7.734 -12.098 200 2HH1 ARG 30 2HH1 ARG 30 -1.218 8.714 -12.321 201 1HH2 ARG 30 1HH2 ARG 30 -2.535 6.712 -14.827 202 2HH2 ARG 30 2HH2 ARG 30 -2.761 8.136 -13.868 203 H MET 31 H MET 31 1.868 3.497 -8.383 204 HA MET 31 HA MET 31 3.290 4.350 -6.692 205 1HB MET 31 2HB MET 31 4.385 2.202 -7.633 206 2HB MET 31 1HB MET 31 5.495 3.296 -8.459 207 1HG MET 31 2HG MET 31 5.774 4.385 -6.096 208 2HG MET 31 1HG MET 31 5.132 2.851 -5.508 209 1HE MET 31 1HE MET 31 7.936 4.785 -7.179 210 2HE MET 31 2HE MET 31 9.299 3.860 -6.555 211 3HE MET 31 3HE MET 31 8.114 4.530 -5.437 212 H ALA 32 H ALA 32 3.312 6.582 -6.740 213 HA ALA 32 HA ALA 32 5.491 8.135 -7.530 214 1HB ALA 32 1HB ALA 32 5.324 7.712 -9.801 215 2HB ALA 32 2HB ALA 32 4.226 9.088 -9.695 216 3HB ALA 32 3HB ALA 32 3.582 7.447 -9.724 217 H CYS 33 H CYS 33 4.121 8.659 -5.409 218 HA CYS 33 HA CYS 33 1.876 10.502 -6.012 219 1HB CYS 33 2HB CYS 33 3.008 9.561 -3.360 220 2HB CYS 33 1HB CYS 33 1.414 10.272 -3.645 221 HA PRO 34 HA PRO 34 4.301 14.108 -5.363 222 1HB PRO 34 2HB PRO 34 2.463 15.783 -4.224 223 2HB PRO 34 1HB PRO 34 2.427 15.333 -5.940 224 1HG PRO 34 2HG PRO 34 0.803 14.292 -3.677 225 2HG PRO 34 1HG PRO 34 0.331 14.616 -5.352 226 1HD PRO 34 2HD PRO 34 0.864 12.117 -4.378 227 2HD PRO 34 1HD PRO 34 1.055 12.576 -6.087 228 H GLN 35 H GLN 35 2.889 12.416 -2.721 229 HA GLN 35 HA GLN 35 3.956 14.115 -0.592 230 1HB GLN 35 2HB GLN 35 1.935 12.736 -0.343 231 2HB GLN 35 1HB GLN 35 2.877 11.278 -0.663 232 1HG GLN 35 2HG GLN 35 3.678 11.200 1.453 233 2HG GLN 35 1HG GLN 35 4.011 12.932 1.478 234 1HE2 GLN 35 1HE2 GLN 35 2.996 12.260 3.819 235 2HE2 GLN 35 2HE2 GLN 35 1.330 12.556 3.949 Start of MODEL 8 1 1H GLU 1 1HT GLU 1 5.414 5.743 5.160 2 2H GLU 1 2HT GLU 1 3.933 5.191 4.538 3 3H GLU 1 3HT GLU 1 5.328 5.166 3.567 4 HA GLU 1 HA GLU 1 6.235 3.349 4.649 5 1HB GLU 1 2HB GLU 1 5.206 4.816 6.826 6 2HB GLU 1 1HB GLU 1 4.485 3.212 6.958 7 1HG GLU 1 2HG GLU 1 6.681 3.372 8.133 8 2HG GLU 1 1HG GLU 1 6.687 2.169 6.844 9 H VAL 2 H VAL 2 4.726 1.345 5.917 10 HA VAL 2 HA VAL 2 2.225 1.070 4.333 11 HB VAL 2 HB VAL 2 4.775 -0.493 4.077 12 1HG1 VAL 2 1HG1 VAL 2 3.536 -2.395 4.457 13 2HG1 VAL 2 2HG1 VAL 2 3.084 -2.133 2.772 14 3HG1 VAL 2 3HG1 VAL 2 2.008 -1.605 4.067 15 1HG2 VAL 2 1HG2 VAL 2 4.394 1.058 2.329 16 2HG2 VAL 2 2HG2 VAL 2 2.674 0.679 2.255 17 3HG2 VAL 2 3HG2 VAL 2 3.858 -0.483 1.659 18 H THR 3 H THR 3 1.130 1.106 6.381 19 HA THR 3 HA THR 3 1.797 -1.036 8.335 20 HB THR 3 HB THR 3 0.348 0.232 9.801 21 HG1 THR 3 1HG THR 3 -1.362 0.893 8.746 22 1HG2 THR 3 1HG2 THR 3 1.918 1.820 10.038 23 2HG2 THR 3 2HG2 THR 3 1.347 2.647 8.588 24 3HG2 THR 3 3HG2 THR 3 2.557 1.370 8.457 25 H CYS 4 H CYS 4 0.349 -1.164 5.541 26 HA CYS 4 HA CYS 4 -2.325 -2.148 6.206 27 1HB CYS 4 2HB CYS 4 -2.430 -1.378 4.069 28 2HB CYS 4 1HB CYS 4 -0.677 -1.410 3.908 29 H GLU 5 H GLU 5 -2.855 -4.460 5.223 30 HA GLU 5 HA GLU 5 -1.273 -6.407 6.694 31 1HB GLU 5 2HB GLU 5 -3.799 -6.340 6.168 32 2HB GLU 5 1HB GLU 5 -3.357 -6.930 4.564 33 1HG GLU 5 2HG GLU 5 -2.450 -8.947 5.439 34 2HG GLU 5 1HG GLU 5 -2.425 -8.312 7.084 35 HA PRO 6 HA PRO 6 1.659 -7.085 3.438 36 1HB PRO 6 2HB PRO 6 2.740 -9.397 4.453 37 2HB PRO 6 1HB PRO 6 3.137 -7.784 5.075 38 1HG PRO 6 2HG PRO 6 1.217 -9.804 6.144 39 2HG PRO 6 1HG PRO 6 2.368 -8.770 7.013 40 1HD PRO 6 2HD PRO 6 -0.266 -8.193 6.880 41 2HD PRO 6 1HD PRO 6 0.984 -6.925 6.925 42 H GLY 7 H GLY 7 0.716 -7.753 1.538 43 1HA GLY 7 2HA GLY 7 0.220 -9.481 -0.056 44 2HA GLY 7 1HA GLY 7 -0.020 -10.611 1.283 45 H THR 8 H THR 8 -1.456 -7.493 0.217 46 HA THR 8 HA THR 8 -4.134 -8.765 0.192 47 HB THR 8 HB THR 8 -3.159 -6.709 2.171 48 HG1 THR 8 1HG THR 8 -3.332 -8.429 3.336 49 1HG2 THR 8 1HG2 THR 8 -5.167 -5.753 1.137 50 2HG2 THR 8 2HG2 THR 8 -5.527 -6.300 2.775 51 3HG2 THR 8 3HG2 THR 8 -6.035 -7.267 1.391 52 H THR 9 H THR 9 -2.145 -5.875 -0.298 53 HA THR 9 HA THR 9 -2.253 -4.309 -2.056 54 HB THR 9 HB THR 9 -3.449 -6.574 -3.034 55 HG1 THR 9 1HG THR 9 -3.603 -5.069 -5.002 56 1HG2 THR 9 1HG2 THR 9 -5.671 -5.243 -2.331 57 2HG2 THR 9 2HG2 THR 9 -5.596 -6.238 -3.784 58 3HG2 THR 9 3HG2 THR 9 -5.396 -4.490 -3.902 59 H PHE 10 H PHE 10 -3.227 -2.281 -2.226 60 HA PHE 10 HA PHE 10 -5.940 -1.668 -1.499 61 1HB PHE 10 2HB PHE 10 -5.552 -0.807 0.752 62 2HB PHE 10 1HB PHE 10 -4.980 -2.474 0.689 63 HD1 PHE 10 1HD PHE 10 -4.081 0.951 1.325 64 HD2 PHE 10 2HD PHE 10 -2.493 -2.882 0.210 65 HE1 PHE 10 1HE PHE 10 -1.807 1.705 1.968 66 HE2 PHE 10 2HE PHE 10 -0.220 -2.129 0.856 67 HZ PHE 10 HZ PHE 10 0.123 0.165 1.734 68 H LYS 11 H LYS 11 -6.282 0.702 -1.466 69 HA LYS 11 HA LYS 11 -4.208 2.129 -3.030 70 1HB LYS 11 2HB LYS 11 -6.589 2.114 -3.708 71 2HB LYS 11 1HB LYS 11 -7.028 2.859 -2.170 72 1HG LYS 11 2HG LYS 11 -4.900 4.272 -3.645 73 2HG LYS 11 1HG LYS 11 -6.468 4.264 -4.454 74 1HD LYS 11 2HD LYS 11 -6.488 4.834 -1.538 75 2HD LYS 11 1HD LYS 11 -5.812 6.089 -2.578 76 1HE LYS 11 2HE LYS 11 -7.851 6.614 -3.459 77 2HE LYS 11 1HE LYS 11 -8.339 4.911 -3.571 78 1HZ LYS 11 1HZ LYS 11 -9.648 5.733 -1.848 79 2HZ LYS 11 2HZ LYS 11 -8.397 6.693 -1.213 80 3HZ LYS 11 3HZ LYS 11 -8.353 5.005 -1.029 81 H ASP 12 H ASP 12 -3.087 3.929 -2.222 82 HA ASP 12 HA ASP 12 -3.672 4.729 0.608 83 1HB ASP 12 2HB ASP 12 -1.742 3.182 0.407 84 2HB ASP 12 1HB ASP 12 -0.985 4.299 -0.734 85 H LYS 13 H LYS 13 -2.000 5.651 -2.399 86 HA LYS 13 HA LYS 13 -2.630 8.515 -1.760 87 1HB LYS 13 2HB LYS 13 -0.196 7.297 -3.115 88 2HB LYS 13 1HB LYS 13 -0.451 9.025 -2.834 89 1HG LYS 13 2HG LYS 13 -0.892 7.761 -0.347 90 2HG LYS 13 1HG LYS 13 0.565 7.023 -1.013 91 1HD LYS 13 2HD LYS 13 0.263 10.001 -1.161 92 2HD LYS 13 1HD LYS 13 0.721 9.269 0.378 93 1HE LYS 13 2HE LYS 13 2.166 8.829 -2.263 94 2HE LYS 13 1HE LYS 13 2.739 9.854 -0.932 95 1HZ LYS 13 1HZ LYS 13 3.715 7.861 -0.397 96 2HZ LYS 13 2HZ LYS 13 2.440 6.930 -1.026 97 3HZ LYS 13 3HZ LYS 13 2.260 7.728 0.463 98 H CYS 14 H CYS 14 -1.025 7.660 -4.725 99 HA CYS 14 HA CYS 14 -3.584 8.151 -6.208 100 1HB CYS 14 2HB CYS 14 -0.718 8.949 -6.535 101 2HB CYS 14 1HB CYS 14 -1.681 8.736 -7.996 102 H ASN 15 H ASN 15 -1.994 5.618 -5.196 103 HA ASN 15 HA ASN 15 -2.492 4.049 -7.666 104 1HB ASN 15 2HB ASN 15 -0.020 3.140 -6.501 105 2HB ASN 15 1HB ASN 15 -0.293 3.763 -8.126 106 1HD2 ASN 15 1HD2 ASN 15 1.532 4.308 -5.384 107 2HD2 ASN 15 2HD2 ASN 15 1.845 5.973 -5.587 108 H THR 16 H THR 16 -1.427 1.621 -6.717 109 HA THR 16 HA THR 16 -2.886 1.202 -4.127 110 HB THR 16 HB THR 16 -2.973 -0.304 -6.747 111 HG1 THR 16 1HG THR 16 -4.469 1.378 -6.378 112 1HG2 THR 16 1HG2 THR 16 -2.803 -2.124 -5.320 113 2HG2 THR 16 2HG2 THR 16 -4.541 -1.830 -5.262 114 3HG2 THR 16 3HG2 THR 16 -3.504 -1.250 -3.958 115 H CYS 17 H CYS 17 -1.619 0.150 -2.629 116 HA CYS 17 HA CYS 17 0.985 -0.984 -3.518 117 1HB CYS 17 2HB CYS 17 -0.235 0.091 -1.004 118 2HB CYS 17 1HB CYS 17 1.123 -1.031 -0.863 119 H ARG 18 H ARG 18 0.987 -3.154 -3.926 120 HA ARG 18 HA ARG 18 -1.031 -5.019 -3.204 121 1HB ARG 18 2HB ARG 18 0.472 -5.479 -4.991 122 2HB ARG 18 1HB ARG 18 1.884 -5.203 -3.970 123 1HG ARG 18 2HG ARG 18 1.528 -7.613 -4.324 124 2HG ARG 18 1HG ARG 18 1.301 -7.191 -2.627 125 1HD ARG 18 2HD ARG 18 -0.927 -7.709 -2.672 126 2HD ARG 18 1HD ARG 18 -1.147 -7.012 -4.290 127 HE ARG 18 HE ARG 18 0.382 -9.554 -4.052 128 1HH1 ARG 18 1HH1 ARG 18 -1.512 -7.641 -6.020 129 2HH1 ARG 18 2HH1 ARG 18 -2.501 -8.924 -6.633 130 1HH2 ARG 18 1HH2 ARG 18 -1.271 -11.289 -4.414 131 2HH2 ARG 18 2HH2 ARG 18 -2.365 -10.990 -5.723 132 H CYS 19 H CYS 19 1.419 -3.605 -1.272 133 HA CYS 19 HA CYS 19 2.061 -3.966 0.966 134 1HB CYS 19 2HB CYS 19 -0.640 -4.661 0.685 135 2HB CYS 19 1HB CYS 19 0.076 -6.035 1.528 136 H GLY 20 H GLY 20 4.034 -5.018 0.361 137 1HA GLY 20 2HA GLY 20 4.419 -7.618 -0.558 138 2HA GLY 20 1HA GLY 20 5.558 -6.803 0.520 139 H SER 21 H SER 21 5.364 -9.480 0.822 140 HA SER 21 HA SER 21 3.368 -10.157 2.884 141 1HB SER 21 2HB SER 21 4.560 -12.368 2.707 142 2HB SER 21 1HB SER 21 3.961 -11.766 1.165 143 HG SER 21 HG SER 21 5.963 -11.972 0.557 144 H ASP 22 H ASP 22 5.890 -8.234 3.137 145 HA ASP 22 HA ASP 22 7.345 -9.538 5.350 146 1HB ASP 22 2HB ASP 22 7.539 -6.733 4.210 147 2HB ASP 22 1HB ASP 22 8.761 -7.572 5.171 148 H GLY 23 H GLY 23 4.987 -6.929 4.866 149 1HA GLY 23 2HA GLY 23 3.367 -6.690 6.807 150 2HA GLY 23 1HA GLY 23 4.798 -6.678 7.844 151 H LYS 24 H LYS 24 6.303 -5.067 5.817 152 HA LYS 24 HA LYS 24 4.837 -2.486 5.815 153 1HB LYS 24 2HB LYS 24 6.728 -3.321 7.808 154 2HB LYS 24 1HB LYS 24 7.434 -1.995 6.883 155 1HG LYS 24 2HG LYS 24 5.287 -0.720 7.215 156 2HG LYS 24 1HG LYS 24 4.762 -2.000 8.311 157 1HD LYS 24 2HD LYS 24 6.007 -1.163 9.991 158 2HD LYS 24 1HD LYS 24 7.446 -1.130 8.973 159 1HE LYS 24 2HE LYS 24 7.272 1.112 8.707 160 2HE LYS 24 1HE LYS 24 5.580 0.963 8.189 161 1HZ LYS 24 1HZ LYS 24 5.160 0.447 10.660 162 2HZ LYS 24 2HZ LYS 24 5.397 2.066 10.203 163 3HZ LYS 24 3HZ LYS 24 6.660 1.190 10.927 164 H SER 25 H SER 25 5.506 -3.909 3.558 165 HA SER 25 HA SER 25 7.362 -2.089 2.211 166 1HB SER 25 2HB SER 25 8.041 -4.983 2.799 167 2HB SER 25 1HB SER 25 8.875 -4.032 1.568 168 HG SER 25 HG SER 25 9.733 -2.776 3.100 169 H ALA 26 H ALA 26 6.410 -1.815 0.235 170 HA ALA 26 HA ALA 26 5.299 -4.197 -1.173 171 1HB ALA 26 1HB ALA 26 3.222 -3.515 -0.590 172 2HB ALA 26 2HB ALA 26 3.482 -2.106 -1.619 173 3HB ALA 26 3HB ALA 26 3.849 -2.019 0.105 174 H ALA 27 H ALA 27 4.635 -3.472 -3.484 175 HA ALA 27 HA ALA 27 6.816 -1.767 -4.586 176 1HB ALA 27 1HB ALA 27 5.450 -2.857 -6.692 177 2HB ALA 27 2HB ALA 27 5.111 -4.037 -5.425 178 3HB ALA 27 3HB ALA 27 6.780 -3.670 -5.864 179 H CYS 28 H CYS 28 3.329 -2.274 -4.928 180 HA CYS 28 HA CYS 28 1.596 -0.723 -5.219 181 1HB CYS 28 2HB CYS 28 3.673 0.679 -3.995 182 2HB CYS 28 1HB CYS 28 3.234 1.678 -5.387 183 H THR 29 H THR 29 0.582 -0.064 -7.079 184 HA THR 29 HA THR 29 1.495 -0.577 -9.634 185 HB THR 29 HB THR 29 -0.143 1.886 -9.085 186 HG1 THR 29 1HG THR 29 -1.837 0.068 -8.850 187 1HG2 THR 29 1HG2 THR 29 -1.552 0.273 -10.765 188 2HG2 THR 29 2HG2 THR 29 0.099 -0.208 -11.156 189 3HG2 THR 29 3HG2 THR 29 -0.389 1.481 -11.311 190 H ARG 30 H ARG 30 2.322 2.173 -7.622 191 HA ARG 30 HA ARG 30 4.040 3.784 -7.917 192 1HB ARG 30 2HB ARG 30 4.786 1.551 -9.349 193 2HB ARG 30 1HB ARG 30 4.793 2.803 -10.596 194 1HG ARG 30 2HG ARG 30 6.070 3.398 -7.951 195 2HG ARG 30 1HG ARG 30 6.942 2.392 -9.109 196 1HD ARG 30 2HD ARG 30 6.215 4.335 -10.796 197 2HD ARG 30 1HD ARG 30 6.212 5.284 -9.296 198 HE ARG 30 HE ARG 30 8.557 4.642 -8.952 199 1HH1 ARG 30 1HH1 ARG 30 7.661 2.395 -11.166 200 2HH1 ARG 30 2HH1 ARG 30 8.925 2.707 -12.310 201 1HH2 ARG 30 1HH2 ARG 30 9.966 5.632 -10.764 202 2HH2 ARG 30 2HH2 ARG 30 10.227 4.542 -12.084 203 H MET 31 H MET 31 2.189 5.301 -8.222 204 HA MET 31 HA MET 31 1.955 6.218 -11.071 205 1HB MET 31 2HB MET 31 -0.003 5.158 -9.422 206 2HB MET 31 1HB MET 31 -0.232 6.897 -9.234 207 1HG MET 31 2HG MET 31 -1.168 7.042 -11.272 208 2HG MET 31 1HG MET 31 0.246 6.288 -12.009 209 1HE MET 31 1HE MET 31 -3.007 6.270 -12.405 210 2HE MET 31 2HE MET 31 -3.372 4.637 -12.955 211 3HE MET 31 3HE MET 31 -2.034 5.526 -13.678 212 H ALA 32 H ALA 32 2.830 7.026 -7.855 213 HA ALA 32 HA ALA 32 3.669 9.066 -6.976 214 1HB ALA 32 1HB ALA 32 3.171 10.307 -9.671 215 2HB ALA 32 2HB ALA 32 4.418 9.071 -9.502 216 3HB ALA 32 3HB ALA 32 4.522 10.562 -8.566 217 H CYS 33 H CYS 33 2.545 10.599 -5.791 218 HA CYS 33 HA CYS 33 -0.095 11.525 -6.868 219 1HB CYS 33 2HB CYS 33 0.064 9.648 -5.019 220 2HB CYS 33 1HB CYS 33 0.386 11.013 -3.951 221 HA PRO 34 HA PRO 34 1.927 15.363 -5.764 222 1HB PRO 34 2HB PRO 34 0.094 16.990 -6.970 223 2HB PRO 34 1HB PRO 34 1.358 16.130 -7.871 224 1HG PRO 34 2HG PRO 34 -1.528 15.518 -7.611 225 2HG PRO 34 1HG PRO 34 -0.434 15.255 -8.975 226 1HD PRO 34 2HD PRO 34 -1.279 13.300 -7.201 227 2HD PRO 34 1HD PRO 34 0.153 13.187 -8.250 228 H GLN 35 H GLN 35 -0.793 13.941 -4.548 229 HA GLN 35 HA GLN 35 -1.315 16.245 -2.699 230 1HB GLN 35 2HB GLN 35 -3.020 15.564 -4.612 231 2HB GLN 35 1HB GLN 35 -3.452 14.285 -3.477 232 1HG GLN 35 2HG GLN 35 -3.240 17.103 -2.472 233 2HG GLN 35 1HG GLN 35 -4.682 16.622 -3.369 234 1HE2 GLN 35 1HE2 GLN 35 -3.222 16.569 -0.270 235 2HE2 GLN 35 2HE2 GLN 35 -4.277 15.459 0.462 Start of MODEL 9 1 1H GLU 1 1HT GLU 1 9.767 1.295 6.302 2 2H GLU 1 2HT GLU 1 9.020 1.115 4.786 3 3H GLU 1 3HT GLU 1 8.345 0.381 6.162 4 HA GLU 1 HA GLU 1 8.280 2.852 7.031 5 1HB GLU 1 2HB GLU 1 9.507 3.608 5.017 6 2HB GLU 1 1HB GLU 1 8.201 2.998 3.999 7 1HG GLU 1 2HG GLU 1 7.377 5.111 4.183 8 2HG GLU 1 1HG GLU 1 6.810 4.560 5.760 9 H VAL 2 H VAL 2 6.891 0.537 4.804 10 HA VAL 2 HA VAL 2 4.166 1.585 5.017 11 HB VAL 2 HB VAL 2 5.673 -0.551 3.633 12 1HG1 VAL 2 1HG1 VAL 2 3.756 -1.981 3.191 13 2HG1 VAL 2 2HG1 VAL 2 2.716 -0.955 4.180 14 3HG1 VAL 2 3HG1 VAL 2 4.002 -1.897 4.935 15 1HG2 VAL 2 1HG2 VAL 2 3.704 0.070 1.970 16 2HG2 VAL 2 2HG2 VAL 2 5.041 1.191 2.232 17 3HG2 VAL 2 3HG2 VAL 2 3.506 1.439 3.064 18 H THR 3 H THR 3 2.580 0.859 6.421 19 HA THR 3 HA THR 3 3.313 -1.323 8.350 20 HB THR 3 HB THR 3 2.555 0.028 10.128 21 HG1 THR 3 1HG THR 3 0.725 0.959 9.770 22 1HG2 THR 3 1HG2 THR 3 3.341 2.403 8.560 23 2HG2 THR 3 2HG2 THR 3 4.483 1.061 8.492 24 3HG2 THR 3 3HG2 THR 3 4.031 1.756 10.049 25 H CYS 4 H CYS 4 1.816 -1.533 5.879 26 HA CYS 4 HA CYS 4 -1.035 -1.602 6.603 27 1HB CYS 4 2HB CYS 4 -1.333 -1.851 4.283 28 2HB CYS 4 1HB CYS 4 0.163 -0.921 4.380 29 H GLU 5 H GLU 5 -1.964 -3.833 5.333 30 HA GLU 5 HA GLU 5 -0.957 -6.032 7.072 31 1HB GLU 5 2HB GLU 5 -3.470 -5.750 5.391 32 2HB GLU 5 1HB GLU 5 -3.165 -6.995 6.603 33 1HG GLU 5 2HG GLU 5 -2.892 -4.155 7.470 34 2HG GLU 5 1HG GLU 5 -4.524 -4.760 7.187 35 HA PRO 6 HA PRO 6 0.972 -7.582 3.335 36 1HB PRO 6 2HB PRO 6 2.064 -9.809 4.504 37 2HB PRO 6 1HB PRO 6 2.772 -8.190 4.662 38 1HG PRO 6 2HG PRO 6 1.069 -9.698 6.579 39 2HG PRO 6 1HG PRO 6 2.487 -8.679 6.885 40 1HD PRO 6 2HD PRO 6 -0.059 -7.829 7.295 41 2HD PRO 6 1HD PRO 6 1.267 -6.735 6.835 42 H GLY 7 H GLY 7 -0.690 -8.391 1.985 43 1HA GLY 7 2HA GLY 7 -1.245 -11.128 1.862 44 2HA GLY 7 1HA GLY 7 -2.513 -10.454 2.883 45 H THR 8 H THR 8 -2.200 -7.865 1.068 46 HA THR 8 HA THR 8 -3.325 -8.883 -1.466 47 HB THR 8 HB THR 8 -5.021 -7.192 0.387 48 HG1 THR 8 1HG THR 8 -4.990 -9.998 -0.009 49 1HG2 THR 8 1HG2 THR 8 -6.738 -8.492 -1.210 50 2HG2 THR 8 2HG2 THR 8 -5.338 -8.472 -2.282 51 3HG2 THR 8 3HG2 THR 8 -6.007 -6.957 -1.674 52 H THR 9 H THR 9 -4.225 -6.873 -2.751 53 HA THR 9 HA THR 9 -2.190 -4.704 -2.499 54 HB THR 9 HB THR 9 -2.234 -5.885 -4.611 55 HG1 THR 9 1HG THR 9 -2.289 -4.125 -5.785 56 1HG2 THR 9 1HG2 THR 9 -4.263 -6.962 -4.830 57 2HG2 THR 9 2HG2 THR 9 -4.541 -5.593 -5.907 58 3HG2 THR 9 3HG2 THR 9 -5.183 -5.568 -4.265 59 H PHE 10 H PHE 10 -2.972 -2.464 -2.961 60 HA PHE 10 HA PHE 10 -5.771 -1.768 -2.915 61 1HB PHE 10 2HB PHE 10 -5.920 -1.113 -0.553 62 2HB PHE 10 1HB PHE 10 -5.467 -2.815 -0.663 63 HD1 PHE 10 1HD PHE 10 -2.839 -3.248 -0.832 64 HD2 PHE 10 2HD PHE 10 -4.646 0.270 0.842 65 HE1 PHE 10 1HE PHE 10 -0.762 -2.783 0.422 66 HE2 PHE 10 2HE PHE 10 -2.560 0.732 2.105 67 HZ PHE 10 HZ PHE 10 -0.616 -0.801 1.892 68 H LYS 11 H LYS 11 -6.020 0.639 -2.420 69 HA LYS 11 HA LYS 11 -3.663 2.111 -3.469 70 1HB LYS 11 2HB LYS 11 -5.695 2.592 -4.586 71 2HB LYS 11 1HB LYS 11 -6.613 2.630 -3.081 72 1HG LYS 11 2HG LYS 11 -4.508 4.594 -2.961 73 2HG LYS 11 1HG LYS 11 -5.441 4.825 -4.440 74 1HD LYS 11 2HD LYS 11 -7.378 5.333 -3.308 75 2HD LYS 11 1HD LYS 11 -6.973 4.299 -1.938 76 1HE LYS 11 2HE LYS 11 -5.289 5.940 -1.179 77 2HE LYS 11 1HE LYS 11 -5.686 6.982 -2.560 78 1HZ LYS 11 1HZ LYS 11 -6.930 7.454 -0.424 79 2HZ LYS 11 2HZ LYS 11 -7.747 5.986 -0.680 80 3HZ LYS 11 3HZ LYS 11 -7.883 7.246 -1.812 81 H ASP 12 H ASP 12 -2.255 2.786 -1.876 82 HA ASP 12 HA ASP 12 -3.219 3.355 0.849 83 1HB ASP 12 2HB ASP 12 -1.084 2.123 0.156 84 2HB ASP 12 1HB ASP 12 -0.447 3.706 -0.311 85 H LYS 13 H LYS 13 -1.609 5.157 -1.781 86 HA LYS 13 HA LYS 13 -2.495 7.690 -0.437 87 1HB LYS 13 2HB LYS 13 -0.075 7.202 -2.224 88 2HB LYS 13 1HB LYS 13 -0.438 8.688 -1.345 89 1HG LYS 13 2HG LYS 13 -0.547 6.752 0.636 90 2HG LYS 13 1HG LYS 13 0.787 6.207 -0.383 91 1HD LYS 13 2HD LYS 13 1.775 8.489 -0.259 92 2HD LYS 13 1HD LYS 13 0.477 8.966 0.837 93 1HE LYS 13 2HE LYS 13 1.251 7.558 2.566 94 2HE LYS 13 1HE LYS 13 2.213 6.569 1.451 95 1HZ LYS 13 1HZ LYS 13 3.826 7.957 2.265 96 2HZ LYS 13 2HZ LYS 13 2.760 9.260 2.491 97 3HZ LYS 13 3HZ LYS 13 3.308 8.869 0.931 98 H CYS 14 H CYS 14 -1.175 7.036 -3.662 99 HA CYS 14 HA CYS 14 -3.637 8.240 -4.895 100 1HB CYS 14 2HB CYS 14 -0.924 8.966 -4.725 101 2HB CYS 14 1HB CYS 14 -1.167 8.463 -6.387 102 H ASN 15 H ASN 15 -1.336 5.646 -4.834 103 HA ASN 15 HA ASN 15 -2.582 4.435 -7.272 104 1HB ASN 15 2HB ASN 15 -0.012 3.488 -7.276 105 2HB ASN 15 1HB ASN 15 -0.526 4.920 -8.168 106 1HD2 ASN 15 1HD2 ASN 15 0.572 6.827 -7.667 107 2HD2 ASN 15 2HD2 ASN 15 1.519 7.064 -6.268 108 H THR 16 H THR 16 -2.316 2.030 -7.311 109 HA THR 16 HA THR 16 -3.171 0.760 -4.920 110 HB THR 16 HB THR 16 -1.640 -0.795 -6.948 111 HG1 THR 16 1HG THR 16 -2.575 0.115 -8.570 112 1HG2 THR 16 1HG2 THR 16 -4.521 -0.990 -6.048 113 2HG2 THR 16 2HG2 THR 16 -3.186 -1.739 -5.174 114 3HG2 THR 16 3HG2 THR 16 -3.550 -2.241 -6.825 115 H CYS 17 H CYS 17 -1.847 -1.163 -3.958 116 HA CYS 17 HA CYS 17 1.061 -0.885 -3.894 117 1HB CYS 17 2HB CYS 17 -0.759 0.339 -1.861 118 2HB CYS 17 1HB CYS 17 0.706 -0.442 -1.259 119 H ARG 18 H ARG 18 1.345 -3.122 -4.061 120 HA ARG 18 HA ARG 18 -0.376 -5.041 -2.711 121 1HB ARG 18 2HB ARG 18 0.863 -5.457 -4.825 122 2HB ARG 18 1HB ARG 18 2.386 -5.315 -3.945 123 1HG ARG 18 2HG ARG 18 2.151 -7.586 -3.765 124 2HG ARG 18 1HG ARG 18 1.142 -7.140 -2.392 125 1HD ARG 18 2HD ARG 18 -0.873 -7.243 -3.799 126 2HD ARG 18 1HD ARG 18 0.124 -7.638 -5.214 127 HE ARG 18 HE ARG 18 -0.214 -9.397 -2.824 128 1HH1 ARG 18 1HH2 ARG 18 1.554 -8.766 -5.670 129 2HH1 ARG 18 2HH2 ARG 18 1.609 -10.419 -6.184 130 1HH2 ARG 18 1HH1 ARG 18 -0.450 -11.555 -3.634 131 2HH2 ARG 18 2HH1 ARG 18 0.472 -11.998 -5.033 132 H CYS 19 H CYS 19 -0.394 -4.632 -0.571 133 HA CYS 19 HA CYS 19 1.423 -3.978 1.336 134 1HB CYS 19 2HB CYS 19 -0.850 -5.813 1.013 135 2HB CYS 19 1HB CYS 19 0.166 -6.191 2.393 136 H GLY 20 H GLY 20 3.607 -4.588 1.231 137 1HA GLY 20 2HA GLY 20 4.795 -6.821 0.140 138 2HA GLY 20 1HA GLY 20 5.436 -6.041 1.589 139 H SER 21 H SER 21 5.777 -8.753 1.327 140 HA SER 21 HA SER 21 3.631 -10.236 2.657 141 1HB SER 21 2HB SER 21 5.469 -10.985 0.952 142 2HB SER 21 1HB SER 21 6.509 -11.095 2.371 143 HG SER 21 HG SER 21 4.850 -12.453 3.292 144 H ASP 22 H ASP 22 6.126 -8.158 3.682 145 HA ASP 22 HA ASP 22 6.267 -9.415 6.392 146 1HB ASP 22 2HB ASP 22 7.910 -7.194 5.129 147 2HB ASP 22 1HB ASP 22 8.283 -8.058 6.625 148 H GLY 23 H GLY 23 4.762 -6.879 4.670 149 1HA GLY 23 2HA GLY 23 3.121 -5.395 5.569 150 2HA GLY 23 1HA GLY 23 3.722 -5.755 7.191 151 H LYS 24 H LYS 24 6.254 -5.069 5.020 152 HA LYS 24 HA LYS 24 6.220 -2.159 5.685 153 1HB LYS 24 2HB LYS 24 7.937 -4.288 6.763 154 2HB LYS 24 1HB LYS 24 8.843 -2.917 6.121 155 1HG LYS 24 2HG LYS 24 7.520 -1.370 7.495 156 2HG LYS 24 1HG LYS 24 6.571 -2.719 8.119 157 1HD LYS 24 2HD LYS 24 8.109 -3.025 9.732 158 2HD LYS 24 1HD LYS 24 9.305 -3.394 8.490 159 1HE LYS 24 2HE LYS 24 10.270 -1.320 8.630 160 2HE LYS 24 1HE LYS 24 8.709 -0.506 8.857 161 1HZ LYS 24 1HZ LYS 24 8.600 -1.274 11.095 162 2HZ LYS 24 2HZ LYS 24 10.125 -0.555 10.889 163 3HZ LYS 24 3HZ LYS 24 9.976 -2.247 10.902 164 H SER 25 H SER 25 5.809 -3.518 3.144 165 HA SER 25 HA SER 25 7.732 -2.077 1.513 166 1HB SER 25 2HB SER 25 7.964 -5.059 1.948 167 2HB SER 25 1HB SER 25 8.583 -4.298 0.481 168 HG SER 25 HG SER 25 10.255 -4.223 1.875 169 H ALA 26 H ALA 26 6.052 -1.330 0.195 170 HA ALA 26 HA ALA 26 4.263 -3.403 -1.020 171 1HB ALA 26 1HB ALA 26 2.882 -1.211 -1.437 172 2HB ALA 26 2HB ALA 26 3.953 -0.516 -0.220 173 3HB ALA 26 3HB ALA 26 2.928 -1.892 0.190 174 H ALA 27 H ALA 27 3.996 -3.354 -3.295 175 HA ALA 27 HA ALA 27 6.209 -2.137 -4.792 176 1HB ALA 27 1HB ALA 27 5.343 -4.447 -5.158 177 2HB ALA 27 2HB ALA 27 5.246 -3.468 -6.622 178 3HB ALA 27 3HB ALA 27 3.797 -3.761 -5.660 179 H CYS 28 H CYS 28 2.663 -2.091 -5.107 180 HA CYS 28 HA CYS 28 1.204 -0.355 -5.747 181 1HB CYS 28 2HB CYS 28 3.633 1.447 -5.612 182 2HB CYS 28 1HB CYS 28 1.945 1.876 -5.332 183 H THR 29 H THR 29 0.514 0.273 -7.769 184 HA THR 29 HA THR 29 1.976 -0.486 -10.109 185 HB THR 29 HB THR 29 0.063 1.143 -11.051 186 HG1 THR 29 1HG THR 29 -1.535 1.415 -9.546 187 1HG2 THR 29 1HG2 THR 29 -0.450 -1.010 -11.567 188 2HG2 THR 29 2HG2 THR 29 -1.509 -0.915 -10.160 189 3HG2 THR 29 3HG2 THR 29 0.102 -1.614 -10.004 190 H ARG 30 H ARG 30 1.739 2.553 -8.343 191 HA ARG 30 HA ARG 30 3.554 3.814 -10.374 192 1HB ARG 30 2HB ARG 30 1.015 4.551 -9.592 193 2HB ARG 30 1HB ARG 30 2.032 5.559 -8.557 194 1HG ARG 30 2HG ARG 30 2.320 6.939 -10.314 195 2HG ARG 30 1HG ARG 30 3.237 5.650 -11.095 196 1HD ARG 30 2HD ARG 30 1.599 5.387 -12.633 197 2HD ARG 30 1HD ARG 30 0.408 5.108 -11.347 198 HE ARG 30 HE ARG 30 0.280 7.631 -11.132 199 1HH1 ARG 30 1HH2 ARG 30 0.113 6.014 -14.035 200 2HH1 ARG 30 2HH2 ARG 30 0.360 7.402 -15.040 201 1HH2 ARG 30 1HH1 ARG 30 1.199 9.493 -12.404 202 2HH2 ARG 30 2HH1 ARG 30 0.977 9.370 -14.118 203 H MET 31 H MET 31 2.608 4.612 -7.035 204 HA MET 31 HA MET 31 5.091 3.911 -5.795 205 1HB MET 31 2HB MET 31 5.359 5.969 -7.577 206 2HB MET 31 1HB MET 31 5.051 6.855 -6.083 207 1HG MET 31 2HG MET 31 7.115 4.652 -6.308 208 2HG MET 31 1HG MET 31 7.494 6.359 -6.534 209 1HE MET 31 1HE MET 31 9.130 5.180 -3.551 210 2HE MET 31 2HE MET 31 9.024 6.932 -3.707 211 3HE MET 31 3HE MET 31 9.166 5.932 -5.151 212 H ALA 32 H ALA 32 3.250 6.973 -5.568 213 HA ALA 32 HA ALA 32 1.438 6.379 -3.522 214 1HB ALA 32 1HB ALA 32 2.872 5.677 -1.893 215 2HB ALA 32 2HB ALA 32 3.222 7.393 -1.680 216 3HB ALA 32 3HB ALA 32 4.267 6.398 -2.694 217 H CYS 33 H CYS 33 0.199 8.212 -3.532 218 HA CYS 33 HA CYS 33 1.460 10.862 -3.291 219 1HB CYS 33 2HB CYS 33 1.467 11.027 -5.513 220 2HB CYS 33 1HB CYS 33 0.449 9.637 -5.744 221 HA PRO 34 HA PRO 34 -2.303 11.680 -1.191 222 1HB PRO 34 2HB PRO 34 -2.155 14.409 -1.155 223 2HB PRO 34 1HB PRO 34 -1.080 13.368 -0.202 224 1HG PRO 34 2HG PRO 34 -0.500 14.958 -2.583 225 2HG PRO 34 1HG PRO 34 0.604 14.298 -1.373 226 1HD PRO 34 2HD PRO 34 0.023 13.291 -3.988 227 2HD PRO 34 1HD PRO 34 1.154 12.624 -2.797 228 H GLN 35 H GLN 35 -3.198 10.941 -3.540 229 HA GLN 35 HA GLN 35 -4.957 11.227 -5.098 230 1HB GLN 35 2HB GLN 35 -5.505 12.673 -2.693 231 2HB GLN 35 1HB GLN 35 -6.081 13.643 -4.049 232 1HG GLN 35 2HG GLN 35 -7.927 12.281 -3.695 233 2HG GLN 35 1HG GLN 35 -7.044 11.321 -4.881 234 1HE2 GLN 35 1HE2 GLN 35 -7.875 11.550 -1.435 235 2HE2 GLN 35 2HE2 GLN 35 -7.364 9.983 -1.031 Start of MODEL 10 1 1H GLU 1 1HT GLU 1 8.606 3.100 3.767 2 2H GLU 1 2HT GLU 1 7.843 3.181 2.250 3 3H GLU 1 3HT GLU 1 7.569 1.853 3.274 4 HA GLU 1 HA GLU 1 6.769 3.772 4.904 5 1HB GLU 1 2HB GLU 1 6.262 4.737 2.069 6 2HB GLU 1 1HB GLU 1 5.723 5.536 3.548 7 1HG GLU 1 2HG GLU 1 8.271 5.482 4.180 8 2HG GLU 1 1HG GLU 1 8.505 5.286 2.443 9 H VAL 2 H VAL 2 6.026 1.256 4.715 10 HA VAL 2 HA VAL 2 3.298 1.257 3.463 11 HB VAL 2 HB VAL 2 5.529 -0.736 3.649 12 1HG1 VAL 2 1HG1 VAL 2 3.882 -2.085 4.682 13 2HG1 VAL 2 2HG1 VAL 2 3.740 -2.488 2.971 14 3HG1 VAL 2 3HG1 VAL 2 2.581 -1.387 3.716 15 1HG2 VAL 2 1HG2 VAL 2 3.435 -0.295 1.509 16 2HG2 VAL 2 2HG2 VAL 2 5.009 -1.073 1.338 17 3HG2 VAL 2 3HG2 VAL 2 4.909 0.667 1.608 18 H THR 3 H THR 3 1.687 1.179 4.959 19 HA THR 3 HA THR 3 2.272 -0.084 7.620 20 HB THR 3 HB THR 3 0.943 1.689 8.610 21 HG1 THR 3 1HG THR 3 0.599 2.978 6.170 22 1HG2 THR 3 1HG2 THR 3 3.330 2.177 7.976 23 2HG2 THR 3 2HG2 THR 3 2.308 3.610 8.086 24 3HG2 THR 3 3HG2 THR 3 2.723 2.944 6.507 25 H CYS 4 H CYS 4 0.991 -1.086 5.045 26 HA CYS 4 HA CYS 4 -1.808 -1.547 5.958 27 1HB CYS 4 2HB CYS 4 -2.123 -1.166 3.748 28 2HB CYS 4 1HB CYS 4 -0.385 -1.156 3.470 29 H GLU 5 H GLU 5 -2.497 -3.966 5.193 30 HA GLU 5 HA GLU 5 -0.943 -5.780 6.881 31 1HB GLU 5 2HB GLU 5 -3.389 -6.007 5.106 32 2HB GLU 5 1HB GLU 5 -2.755 -7.372 6.026 33 1HG GLU 5 2HG GLU 5 -4.440 -6.383 7.407 34 2HG GLU 5 1HG GLU 5 -2.894 -5.876 8.090 35 HA PRO 6 HA PRO 6 1.693 -7.265 3.703 36 1HB PRO 6 2HB PRO 6 2.262 -9.744 4.738 37 2HB PRO 6 1HB PRO 6 2.965 -8.240 5.366 38 1HG PRO 6 2HG PRO 6 0.666 -9.831 6.400 39 2HG PRO 6 1HG PRO 6 1.977 -9.034 7.289 40 1HD PRO 6 2HD PRO 6 -0.498 -7.963 7.086 41 2HD PRO 6 1HD PRO 6 0.973 -6.965 7.185 42 H GLY 7 H GLY 7 0.796 -7.814 1.751 43 1HA GLY 7 2HA GLY 7 -0.079 -9.321 0.133 44 2HA GLY 7 1HA GLY 7 -0.449 -10.459 1.435 45 H THR 8 H THR 8 -1.554 -7.451 -0.094 46 HA THR 8 HA THR 8 -4.345 -8.245 0.330 47 HB THR 8 HB THR 8 -3.288 -5.773 1.719 48 HG1 THR 8 1HG THR 8 -3.923 -7.357 3.552 49 1HG2 THR 8 1HG2 THR 8 -5.580 -6.502 2.976 50 2HG2 THR 8 2HG2 THR 8 -5.927 -7.061 1.339 51 3HG2 THR 8 3HG2 THR 8 -5.531 -5.367 1.627 52 H THR 9 H THR 9 -1.993 -6.064 -1.058 53 HA THR 9 HA THR 9 -2.163 -4.346 -2.643 54 HB THR 9 HB THR 9 -2.598 -6.425 -3.913 55 HG1 THR 9 1HG THR 9 -2.630 -4.427 -4.985 56 1HG2 THR 9 1HG2 THR 9 -4.606 -7.247 -2.849 57 2HG2 THR 9 2HG2 THR 9 -4.973 -6.936 -4.543 58 3HG2 THR 9 3HG2 THR 9 -5.500 -5.800 -3.308 59 H PHE 10 H PHE 10 -2.880 -2.389 -2.102 60 HA PHE 10 HA PHE 10 -5.832 -1.961 -1.959 61 1HB PHE 10 2HB PHE 10 -5.413 -0.659 0.149 62 2HB PHE 10 1HB PHE 10 -5.044 -2.378 0.304 63 HD1 PHE 10 1HD PHE 10 -3.778 0.934 0.693 64 HD2 PHE 10 2HD PHE 10 -2.589 -3.094 -0.195 65 HE1 PHE 10 1HE PHE 10 -1.440 1.487 1.312 66 HE2 PHE 10 2HE PHE 10 -0.252 -2.543 0.421 67 HZ PHE 10 HZ PHE 10 0.323 -0.254 1.175 68 H LYS 11 H LYS 11 -6.405 0.343 -2.160 69 HA LYS 11 HA LYS 11 -4.443 1.829 -3.839 70 1HB LYS 11 2HB LYS 11 -6.819 1.246 -4.546 71 2HB LYS 11 1HB LYS 11 -7.379 2.370 -3.307 72 1HG LYS 11 2HG LYS 11 -6.451 4.236 -4.405 73 2HG LYS 11 1HG LYS 11 -5.368 3.238 -5.378 74 1HD LYS 11 2HD LYS 11 -6.958 2.833 -6.952 75 2HD LYS 11 1HD LYS 11 -8.228 2.624 -5.744 76 1HE LYS 11 2HE LYS 11 -8.997 4.657 -6.419 77 2HE LYS 11 1HE LYS 11 -7.589 5.344 -5.586 78 1HZ LYS 11 1HZ LYS 11 -6.458 4.458 -7.821 79 2HZ LYS 11 2HZ LYS 11 -7.062 6.037 -7.655 80 3HZ LYS 11 3HZ LYS 11 -7.996 4.844 -8.423 81 H ASP 12 H ASP 12 -3.140 2.605 -1.999 82 HA ASP 12 HA ASP 12 -4.544 4.517 -0.179 83 1HB ASP 12 2HB ASP 12 -2.719 2.460 0.223 84 2HB ASP 12 1HB ASP 12 -1.717 3.915 0.298 85 H LYS 13 H LYS 13 -3.252 6.542 0.311 86 HA LYS 13 HA LYS 13 -2.212 8.519 -0.461 87 1HB LYS 13 2HB LYS 13 -0.605 6.510 -2.074 88 2HB LYS 13 1HB LYS 13 -0.066 8.097 -1.514 89 1HG LYS 13 2HG LYS 13 -1.061 6.345 0.635 90 2HG LYS 13 1HG LYS 13 0.368 5.723 -0.190 91 1HD LYS 13 2HD LYS 13 1.361 8.074 0.104 92 2HD LYS 13 1HD LYS 13 0.045 8.364 1.241 93 1HE LYS 13 2HE LYS 13 1.342 5.802 1.759 94 2HE LYS 13 1HE LYS 13 2.485 7.156 1.862 95 1HZ LYS 13 1HZ LYS 13 -0.191 7.075 3.154 96 2HZ LYS 13 2HZ LYS 13 0.938 8.341 3.267 97 3HZ LYS 13 3HZ LYS 13 1.283 6.826 3.957 98 H CYS 14 H CYS 14 -1.179 7.397 -3.525 99 HA CYS 14 HA CYS 14 -3.695 8.314 -4.831 100 1HB CYS 14 2HB CYS 14 -2.499 9.911 -6.110 101 2HB CYS 14 1HB CYS 14 -1.815 10.072 -4.492 102 H ASN 15 H ASN 15 -2.162 5.689 -4.383 103 HA ASN 15 HA ASN 15 -2.432 4.705 -7.157 104 1HB ASN 15 2HB ASN 15 -0.073 3.772 -7.026 105 2HB ASN 15 1HB ASN 15 -0.156 5.527 -7.127 106 1HD2 ASN 15 1HD2 ASN 15 1.398 6.393 -5.772 107 2HD2 ASN 15 2HD2 ASN 15 1.743 5.839 -4.197 108 H THR 16 H THR 16 -0.994 2.230 -6.555 109 HA THR 16 HA THR 16 -2.836 1.081 -4.483 110 HB THR 16 HB THR 16 -1.584 -0.604 -6.596 111 HG1 THR 16 1HG THR 16 -3.479 1.437 -7.070 112 1HG2 THR 16 1HG2 THR 16 -3.746 -0.734 -4.766 113 2HG2 THR 16 2HG2 THR 16 -3.245 -1.957 -5.935 114 3HG2 THR 16 3HG2 THR 16 -4.443 -0.743 -6.386 115 H CYS 17 H CYS 17 -1.647 -1.399 -4.194 116 HA CYS 17 HA CYS 17 1.165 -1.556 -3.966 117 1HB CYS 17 2HB CYS 17 0.102 0.394 -2.268 118 2HB CYS 17 1HB CYS 17 0.362 -0.999 -1.214 119 H ARG 18 H ARG 18 0.987 -3.756 -4.199 120 HA ARG 18 HA ARG 18 -0.928 -5.545 -3.208 121 1HB ARG 18 2HB ARG 18 1.342 -5.619 -4.695 122 2HB ARG 18 1HB ARG 18 1.896 -6.430 -3.228 123 1HG ARG 18 2HG ARG 18 -0.444 -7.183 -4.978 124 2HG ARG 18 1HG ARG 18 1.007 -8.128 -4.655 125 1HD ARG 18 2HD ARG 18 0.363 -8.409 -2.314 126 2HD ARG 18 1HD ARG 18 -1.050 -7.362 -2.556 127 HE ARG 18 HE ARG 18 -0.798 -9.722 -4.335 128 1HH1 ARG 18 1HH1 ARG 18 -1.481 -10.070 -1.277 129 2HH1 ARG 18 2HH1 ARG 18 -3.199 -10.254 -1.394 130 1HH2 ARG 18 1HH2 ARG 18 -3.363 -9.123 -4.668 131 2HH2 ARG 18 2HH2 ARG 18 -4.265 -9.718 -3.315 132 H CYS 19 H CYS 19 1.834 -4.167 -1.566 133 HA CYS 19 HA CYS 19 2.339 -4.098 0.758 134 1HB CYS 19 2HB CYS 19 -0.388 -4.700 0.621 135 2HB CYS 19 1HB CYS 19 0.284 -5.992 1.620 136 H GLY 20 H GLY 20 4.262 -5.291 0.337 137 1HA GLY 20 2HA GLY 20 4.618 -7.972 -0.233 138 2HA GLY 20 1HA GLY 20 5.720 -7.079 0.820 139 H SER 21 H SER 21 5.384 -9.726 1.367 140 HA SER 21 HA SER 21 3.235 -10.234 3.262 141 1HB SER 21 2HB SER 21 5.855 -11.651 2.688 142 2HB SER 21 1HB SER 21 4.505 -12.336 3.589 143 HG SER 21 HG SER 21 3.489 -12.680 1.774 144 H ASP 22 H ASP 22 6.126 -8.483 3.461 145 HA ASP 22 HA ASP 22 6.790 -9.142 6.244 146 1HB ASP 22 2HB ASP 22 8.412 -7.232 5.857 147 2HB ASP 22 1HB ASP 22 8.539 -8.551 4.686 148 H GLY 23 H GLY 23 4.521 -7.096 4.702 149 1HA GLY 23 2HA GLY 23 2.946 -5.640 5.678 150 2HA GLY 23 1HA GLY 23 3.664 -5.998 7.251 151 H LYS 24 H LYS 24 6.166 -5.082 5.241 152 HA LYS 24 HA LYS 24 5.795 -2.167 5.784 153 1HB LYS 24 2HB LYS 24 7.764 -2.049 7.070 154 2HB LYS 24 1HB LYS 24 7.044 -3.567 7.601 155 1HG LYS 24 2HG LYS 24 9.018 -4.534 7.077 156 2HG LYS 24 1HG LYS 24 8.568 -4.302 5.388 157 1HD LYS 24 2HD LYS 24 10.684 -3.260 5.560 158 2HD LYS 24 1HD LYS 24 9.542 -1.921 5.660 159 1HE LYS 24 2HE LYS 24 9.898 -1.608 7.948 160 2HE LYS 24 1HE LYS 24 10.447 -3.279 8.191 161 1HZ LYS 24 1HZ LYS 24 11.885 -1.304 6.505 162 2HZ LYS 24 2HZ LYS 24 12.429 -2.841 6.979 163 3HZ LYS 24 3HZ LYS 24 12.277 -1.599 8.127 164 H SER 25 H SER 25 5.997 -4.093 3.374 165 HA SER 25 HA SER 25 7.717 -2.329 1.754 166 1HB SER 25 2HB SER 25 8.267 -5.295 2.124 167 2HB SER 25 1HB SER 25 9.121 -4.233 1.004 168 HG SER 25 HG SER 25 9.373 -2.946 3.138 169 H ALA 26 H ALA 26 6.536 -2.034 -0.099 170 HA ALA 26 HA ALA 26 4.920 -4.344 -1.111 171 1HB ALA 26 1HB ALA 26 3.095 -2.700 -1.491 172 2HB ALA 26 2HB ALA 26 4.102 -1.446 -0.765 173 3HB ALA 26 3HB ALA 26 3.542 -2.802 0.211 174 H ALA 27 H ALA 27 4.020 -3.687 -3.386 175 HA ALA 27 HA ALA 27 6.338 -2.830 -5.029 176 1HB ALA 27 1HB ALA 27 3.900 -4.479 -5.264 177 2HB ALA 27 2HB ALA 27 5.466 -4.680 -6.050 178 3HB ALA 27 3HB ALA 27 4.285 -3.550 -6.711 179 H CYS 28 H CYS 28 2.894 -2.089 -4.616 180 HA CYS 28 HA CYS 28 1.693 -0.118 -5.021 181 1HB CYS 28 2HB CYS 28 4.478 0.627 -4.430 182 2HB CYS 28 1HB CYS 28 3.601 1.852 -5.351 183 H THR 29 H THR 29 0.763 0.584 -6.924 184 HA THR 29 HA THR 29 1.788 -0.198 -9.477 185 HB THR 29 HB THR 29 0.030 1.755 -10.063 186 HG1 THR 29 1HG THR 29 -1.128 2.351 -8.393 187 1HG2 THR 29 1HG2 THR 29 -1.125 -0.094 -10.591 188 2HG2 THR 29 2HG2 THR 29 -1.539 -0.322 -8.891 189 3HG2 THR 29 3HG2 THR 29 -0.074 -1.052 -9.548 190 H ARG 30 H ARG 30 2.322 2.614 -7.493 191 HA ARG 30 HA ARG 30 3.920 4.349 -7.744 192 1HB ARG 30 2HB ARG 30 4.974 2.290 -9.086 193 2HB ARG 30 1HB ARG 30 4.626 3.331 -10.471 194 1HG ARG 30 2HG ARG 30 6.493 4.498 -10.014 195 2HG ARG 30 1HG ARG 30 5.771 4.993 -8.483 196 1HD ARG 30 2HD ARG 30 6.987 3.471 -7.268 197 2HD ARG 30 1HD ARG 30 6.914 2.244 -8.551 198 HE ARG 30 HE ARG 30 8.451 4.328 -9.612 199 1HH1 ARG 30 1HH1 ARG 30 8.863 1.422 -8.078 200 2HH1 ARG 30 2HH1 ARG 30 10.442 1.754 -7.447 201 1HH2 ARG 30 1HH2 ARG 30 10.364 5.117 -8.284 202 2HH2 ARG 30 2HH2 ARG 30 11.291 3.844 -7.564 203 H MET 31 H MET 31 2.723 6.202 -8.042 204 HA MET 31 HA MET 31 1.869 6.841 -10.836 205 1HB MET 31 2HB MET 31 0.144 5.967 -8.958 206 2HB MET 31 1HB MET 31 0.142 7.682 -8.556 207 1HG MET 31 2HG MET 31 -0.227 6.714 -11.393 208 2HG MET 31 1HG MET 31 -1.589 6.912 -10.289 209 1HE MET 31 1HE MET 31 -1.527 10.546 -9.261 210 2HE MET 31 2HE MET 31 -0.172 9.640 -8.591 211 3HE MET 31 3HE MET 31 -1.743 8.861 -8.762 212 H ALA 32 H ALA 32 1.491 8.541 -7.705 213 HA ALA 32 HA ALA 32 3.626 10.340 -7.746 214 1HB ALA 32 1HB ALA 32 1.907 12.164 -8.995 215 2HB ALA 32 2HB ALA 32 1.764 10.697 -9.965 216 3HB ALA 32 3HB ALA 32 3.346 11.437 -9.711 217 H CYS 33 H CYS 33 2.870 10.098 -5.470 218 HA CYS 33 HA CYS 33 0.360 11.593 -4.870 219 1HB CYS 33 2HB CYS 33 2.009 10.006 -2.904 220 2HB CYS 33 1HB CYS 33 0.272 10.313 -2.886 221 HA PRO 34 HA PRO 34 3.212 14.832 -3.625 222 1HB PRO 34 2HB PRO 34 1.282 16.732 -3.239 223 2HB PRO 34 1HB PRO 34 1.912 16.309 -4.844 224 1HG PRO 34 2HG PRO 34 -0.621 15.481 -3.526 225 2HG PRO 34 1HG PRO 34 -0.306 15.875 -5.222 226 1HD PRO 34 2HD PRO 34 -0.534 13.321 -4.270 227 2HD PRO 34 1HD PRO 34 0.404 13.761 -5.717 228 H GLN 35 H GLN 35 0.157 14.064 -1.978 229 HA GLN 35 HA GLN 35 0.674 15.289 0.531 230 1HB GLN 35 2HB GLN 35 -1.219 13.583 -0.703 231 2HB GLN 35 1HB GLN 35 -0.714 12.765 0.776 232 1HG GLN 35 2HG GLN 35 -1.739 14.290 2.101 233 2HG GLN 35 1HG GLN 35 -1.153 15.646 1.136 234 1HE2 GLN 35 1HE2 GLN 35 -3.093 12.909 -0.101 235 2HE2 GLN 35 2HE2 GLN 35 -4.444 13.849 -0.523
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