NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
2255 | 1bm4 | 4221 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 1H CYS 1 -21.553 10.343 -6.598 2 2H CYS 1 2H CYS 1 -21.602 11.032 -5.118 3 HA CYS 1 HA CYS 1 -23.071 9.211 -5.050 4 1HB CYS 1 1HB CYS 1 -22.313 6.929 -5.785 5 2HB CYS 1 2HB CYS 1 -22.263 8.117 -7.083 6 HG CYS 1 HG CYS 1 -19.868 6.657 -5.384 7 H ALA 2 H ALA 2 -23.269 9.010 -2.906 8 HA ALA 2 HA ALA 2 -20.988 9.043 -1.016 9 1HB ALA 2 1HB ALA 2 -23.164 10.227 -0.609 10 2HB ALA 2 2HB ALA 2 -24.045 8.680 -0.561 11 3HB ALA 2 3HB ALA 2 -22.847 9.068 0.691 12 H LYS 3 H LYS 3 -23.578 6.515 -1.106 13 HA LYS 3 HA LYS 3 -22.145 4.641 0.452 14 1HB LYS 3 1HB LYS 3 -24.619 4.799 0.043 15 2HB LYS 3 2HB LYS 3 -24.448 4.245 -1.607 16 1HG LYS 3 1HG LYS 3 -23.443 2.462 0.689 17 2HG LYS 3 2HG LYS 3 -25.166 2.652 0.508 18 1HD LYS 3 1HD LYS 3 -25.318 1.572 -1.560 19 2HD LYS 3 2HD LYS 3 -23.695 1.927 -2.075 20 1HE LYS 3 1HE LYS 3 -24.284 -0.026 0.269 21 2HE LYS 3 2HE LYS 3 -24.269 -0.560 -1.407 22 1HZ LYS 3 1HZ LYS 3 -21.923 1.072 -0.605 23 2HZ LYS 3 2HZ LYS 3 -21.967 -0.451 0.053 24 3HZ LYS 3 3HZ LYS 3 -21.957 -0.228 -1.581 25 H VAL 4 H VAL 4 -21.324 5.175 -2.812 26 HA VAL 4 HA VAL 4 -20.109 2.356 -3.164 27 HB VAL 4 HB VAL 4 -21.023 4.276 -5.392 28 1HG1 VAL 4 1HG1 VAL 4 -18.994 2.963 -6.111 29 2HG1 VAL 4 2HG1 VAL 4 -19.792 1.440 -5.656 30 3HG1 VAL 4 3HG1 VAL 4 -20.429 2.433 -6.990 31 1HG2 VAL 4 1HG2 VAL 4 -23.011 3.077 -4.402 32 2HG2 VAL 4 2HG2 VAL 4 -22.677 2.493 -6.037 33 3HG2 VAL 4 3HG2 VAL 4 -22.201 1.507 -4.631 34 H LYS 5 H LYS 5 -18.505 3.252 -1.741 35 HA LYS 5 HA LYS 5 -16.227 4.423 -3.400 36 1HB LYS 5 1HB LYS 5 -16.796 5.467 -0.545 37 2HB LYS 5 2HB LYS 5 -15.405 5.844 -1.543 38 1HG LYS 5 1HG LYS 5 -17.137 6.875 -3.267 39 2HG LYS 5 2HG LYS 5 -18.309 6.755 -1.964 40 1HD LYS 5 1HD LYS 5 -16.530 8.066 -0.491 41 2HD LYS 5 2HD LYS 5 -15.678 8.390 -1.983 42 1HE LYS 5 1HE LYS 5 -18.526 9.310 -1.190 43 2HE LYS 5 2HE LYS 5 -17.087 10.319 -1.292 44 1HZ LYS 5 1HZ LYS 5 -17.100 9.529 -3.826 45 2HZ LYS 5 2HZ LYS 5 -18.674 9.120 -3.527 46 3HZ LYS 5 3HZ LYS 5 -18.202 10.684 -3.389 47 H GLY 6 H GLY 6 -16.307 1.943 -3.244 48 1HA GLY 6 1HA GLY 6 -15.377 0.814 -0.542 49 2HA GLY 6 2HA GLY 6 -16.587 0.146 -1.591 50 H ILE 7 H ILE 7 -12.802 -1.051 -2.569 51 HA ILE 7 HA ILE 7 -13.201 1.181 -0.474 52 HB ILE 7 HB ILE 7 -10.683 -0.531 -1.022 53 1HG1 ILE 7 1HG1 ILE 7 -12.379 -1.999 -0.043 54 2HG1 ILE 7 2HG1 ILE 7 -11.116 -1.679 1.111 55 1HG2 ILE 7 1HG2 ILE 7 -11.269 1.529 1.225 56 2HG2 ILE 7 2HG2 ILE 7 -9.878 0.420 1.199 57 3HG2 ILE 7 3HG2 ILE 7 -10.030 1.658 -0.044 58 1HD1 ILE 7 1HD1 ILE 7 -12.666 -0.045 2.346 59 2HD1 ILE 7 2HD1 ILE 7 -13.953 -0.427 1.174 60 3HD1 ILE 7 3HD1 ILE 7 -13.321 -1.692 2.246 61 H THR 8 H THR 8 -12.590 3.217 -0.958 62 HA THR 8 HA THR 8 -11.126 3.826 -3.600 63 HB THR 8 HB THR 8 -12.772 5.671 -1.765 64 HG1 THR 8 HG1 THR 8 -13.601 3.838 -3.250 65 1HG2 THR 8 1HG2 THR 8 -11.675 6.157 -4.633 66 2HG2 THR 8 2HG2 THR 8 -12.777 7.233 -3.748 67 3HG2 THR 8 3HG2 THR 8 -11.117 6.997 -3.161 68 H GLN 9 H GLN 9 -9.026 4.006 -3.349 69 HA GLN 9 HA GLN 9 -6.853 4.858 -2.705 70 1HB GLN 9 1HB GLN 9 -8.253 6.976 -1.850 71 2HB GLN 9 2HB GLN 9 -8.017 6.295 -0.260 72 1HG GLN 9 1HG GLN 9 -5.835 7.160 -2.283 73 2HG GLN 9 2HG GLN 9 -6.302 8.036 -0.850 74 1HE2 GLN 9 2HE2 GLN 9 -5.733 6.984 1.255 75 2HE2 GLN 9 1HE2 GLN 9 -4.268 5.872 1.252 76 H GLY 10 H GLY 10 -5.489 2.962 -0.910 77 1HA GLY 10 1HA GLY 10 -5.895 3.063 -3.398 78 2HA GLY 10 2HA GLY 10 -5.529 1.477 -2.808 79 HA PRO 11 HA PRO 11 -9.897 1.379 -5.165 80 1HB PRO 11 1HB PRO 11 -7.984 0.420 -7.360 81 2HB PRO 11 2HB PRO 11 -9.562 1.217 -7.521 82 1HG PRO 11 1HG PRO 11 -7.307 2.688 -7.845 83 2HG PRO 11 2HG PRO 11 -8.629 3.371 -6.867 84 1HD PRO 11 1HD PRO 11 -6.078 1.997 -5.835 85 2HD PRO 11 2HD PRO 11 -6.856 3.515 -5.297 86 H ASN 12 H ASN 12 -10.199 -0.092 -3.677 87 HA ASN 12 HA ASN 12 -10.455 -2.169 -2.475 88 1HB ASN 12 1HB ASN 12 -11.467 -2.847 -4.794 89 2HB ASN 12 2HB ASN 12 -9.924 -3.578 -5.185 90 1HD2 ASN 12 2HD2 ASN 12 -9.391 -5.511 -3.962 91 2HD2 ASN 12 1HD2 ASN 12 -10.727 -6.401 -3.067 92 H GLU 13 H GLU 13 -8.160 -0.950 -2.074 93 HA GLU 13 HA GLU 13 -5.771 -0.942 -1.867 94 1HB GLU 13 1HB GLU 13 -5.007 -2.586 -0.214 95 2HB GLU 13 2HB GLU 13 -6.591 -2.000 0.221 96 1HG GLU 13 1HG GLU 13 -7.643 -4.141 -0.589 97 2HG GLU 13 2HG GLU 13 -6.073 -4.757 -1.101 98 HE2 GLU 13 HE2 GLU 13 -5.200 -5.804 2.021 99 H SER 14 H SER 14 -6.507 -2.017 -4.449 100 HA SER 14 HA SER 14 -4.779 -4.181 -5.221 101 1HB SER 14 1HB SER 14 -5.801 -1.918 -7.082 102 2HB SER 14 2HB SER 14 -5.244 -3.514 -7.563 103 HG SER 14 HG SER 14 -7.595 -2.750 -6.203 104 HA PRO 15 HA PRO 15 -0.962 -1.329 -6.249 105 1HB PRO 15 1HB PRO 15 -0.993 1.364 -5.649 106 2HB PRO 15 2HB PRO 15 -1.581 0.733 -7.195 107 1HG PRO 15 1HG PRO 15 -3.279 1.421 -4.720 108 2HG PRO 15 2HG PRO 15 -3.516 1.990 -6.367 109 1HD PRO 15 1HD PRO 15 -4.914 -0.163 -5.424 110 2HD PRO 15 2HD PRO 15 -4.346 -0.149 -7.118 111 H SER 16 H SER 16 -2.750 0.035 -3.449 112 HA SER 16 HA SER 16 -0.593 0.368 -1.704 113 1HB SER 16 1HB SER 16 -3.025 1.141 -1.356 114 2HB SER 16 2HB SER 16 -3.450 -0.482 -0.806 115 HG SER 16 HG SER 16 -1.915 -0.207 0.924 116 H ALA 17 H ALA 17 -2.497 -2.752 -1.698 117 HA ALA 17 HA ALA 17 -0.815 -3.983 0.431 118 1HB ALA 17 1HB ALA 17 -3.169 -4.710 -0.169 119 2HB ALA 17 2HB ALA 17 -2.617 -5.254 -1.772 120 3HB ALA 17 3HB ALA 17 -2.043 -6.069 -0.293 121 H PHE 18 H PHE 18 -0.276 -3.710 -3.024 122 HA PHE 18 HA PHE 18 2.154 -5.559 -2.965 123 1HB PHE 18 1HB PHE 18 0.607 -5.335 -5.038 124 2HB PHE 18 2HB PHE 18 1.087 -3.665 -5.181 125 HD1 PHE 18 HD1 PHE 18 2.440 -7.200 -5.141 126 HD2 PHE 18 HD2 PHE 18 3.150 -3.140 -6.375 127 HE1 PHE 18 HE1 PHE 18 4.403 -7.928 -6.439 128 HE2 PHE 18 HE2 PHE 18 5.097 -3.888 -7.682 129 HZ PHE 18 HZ PHE 18 5.736 -6.276 -7.704 130 H LEU 19 H LEU 19 1.514 -2.042 -3.211 131 HA LEU 19 HA LEU 19 4.341 -1.200 -2.904 132 1HB LEU 19 1HB LEU 19 1.582 0.124 -2.636 133 2HB LEU 19 2HB LEU 19 2.876 0.932 -1.843 134 HG LEU 19 HG LEU 19 2.453 1.876 -4.026 135 1HD1 LEU 19 1HD1 LEU 19 4.786 2.030 -3.065 136 2HD1 LEU 19 2HD1 LEU 19 5.267 0.601 -4.008 137 3HD1 LEU 19 3HD1 LEU 19 4.768 2.086 -4.838 138 1HD2 LEU 19 1HD2 LEU 19 1.732 -0.148 -5.315 139 2HD2 LEU 19 2HD2 LEU 19 3.000 0.751 -6.170 140 3HD2 LEU 19 3HD2 LEU 19 3.399 -0.760 -5.320 141 H GLU 20 H GLU 20 1.913 -1.871 -0.257 142 HA GLU 20 HA GLU 20 3.830 -1.328 1.822 143 1HB GLU 20 1HB GLU 20 1.305 -3.137 1.660 144 2HB GLU 20 2HB GLU 20 2.136 -2.886 3.177 145 1HG GLU 20 1HG GLU 20 1.598 -0.514 3.278 146 2HG GLU 20 2HG GLU 20 1.081 -0.462 1.596 147 HE2 GLU 20 HE2 GLU 20 -1.391 -1.884 4.394 148 H ARG 21 H ARG 21 3.183 -4.548 0.266 149 HA ARG 21 HA ARG 21 5.276 -5.991 1.627 150 1HB ARG 21 1HB ARG 21 4.046 -6.185 -1.198 151 2HB ARG 21 2HB ARG 21 5.339 -7.257 -0.711 152 1HG ARG 21 1HG ARG 21 4.065 -8.170 1.185 153 2HG ARG 21 2HG ARG 21 2.731 -7.069 0.936 154 1HD ARG 21 1HD ARG 21 3.656 -9.108 -1.213 155 2HD ARG 21 2HD ARG 21 2.475 -9.502 0.052 156 HE ARG 21 HE ARG 21 1.489 -7.067 -1.121 157 1HH1 ARG 21 1HH1 ARG 21 2.009 -10.352 -2.173 158 2HH1 ARG 21 2HH1 ARG 21 0.652 -10.262 -3.397 159 1HH2 ARG 21 1HH2 ARG 21 -0.007 -6.993 -2.529 160 2HH2 ARG 21 2HH2 ARG 21 -0.450 -8.433 -3.562 161 H LEU 22 H LEU 22 5.561 -3.761 -1.217 162 HA LEU 22 HA LEU 22 8.453 -3.991 -1.434 163 1HB LEU 22 1HB LEU 22 6.484 -1.782 -2.296 164 2HB LEU 22 2HB LEU 22 8.178 -1.751 -2.701 165 HG LEU 22 HG LEU 22 6.261 -3.967 -3.645 166 1HD1 LEU 22 1HD1 LEU 22 7.359 -1.473 -5.114 167 2HD1 LEU 22 2HD1 LEU 22 6.473 -2.806 -5.890 168 3HD1 LEU 22 3HD1 LEU 22 5.659 -1.797 -4.687 169 1HD2 LEU 22 1HD2 LEU 22 9.185 -3.349 -4.470 170 2HD2 LEU 22 2HD2 LEU 22 8.629 -4.785 -3.577 171 3HD2 LEU 22 3HD2 LEU 22 8.121 -4.543 -5.253 172 H LYS 23 H LYS 23 6.362 -1.784 0.563 173 HA LYS 23 HA LYS 23 8.710 -0.040 1.318 174 1HB LYS 23 1HB LYS 23 5.799 -0.260 2.332 175 2HB LYS 23 2HB LYS 23 6.959 0.784 3.122 176 1HG LYS 23 1HG LYS 23 7.418 2.042 1.028 177 2HG LYS 23 2HG LYS 23 6.287 1.066 0.123 178 1HD LYS 23 1HD LYS 23 5.539 2.825 2.563 179 2HD LYS 23 2HD LYS 23 5.459 3.357 0.889 180 1HE LYS 23 1HE LYS 23 3.779 1.494 0.366 181 2HE LYS 23 2HE LYS 23 3.809 1.006 2.062 182 1HZ LYS 23 1HZ LYS 23 3.063 3.324 2.668 183 2HZ LYS 23 2HZ LYS 23 2.988 3.747 1.090 184 3HZ LYS 23 3HZ LYS 23 1.953 2.616 1.682 185 H GLU 24 H GLU 24 7.133 -2.853 2.975 186 HA GLU 24 HA GLU 24 8.881 -2.678 5.318 187 1HB GLU 24 1HB GLU 24 8.089 -4.904 5.885 188 2HB GLU 24 2HB GLU 24 6.741 -3.919 5.383 189 1HG GLU 24 1HG GLU 24 6.811 -5.107 3.085 190 2HG GLU 24 2HG GLU 24 8.073 -6.160 3.704 191 HE2 GLU 24 HE2 GLU 24 4.273 -6.687 4.754 192 H ALA 25 H ALA 25 9.271 -4.373 2.156 193 HA ALA 25 HA ALA 25 11.893 -5.469 2.691 194 1HB ALA 25 1HB ALA 25 10.442 -6.142 0.732 195 2HB ALA 25 2HB ALA 25 10.626 -4.525 0.013 196 3HB ALA 25 3HB ALA 25 12.032 -5.599 0.169 197 H TYR 26 H TYR 26 11.172 -2.375 0.857 198 HA TYR 26 HA TYR 26 13.821 -1.343 0.880 199 1HB TYR 26 1HB TYR 26 11.218 0.304 1.146 200 2HB TYR 26 2HB TYR 26 12.735 0.912 0.530 201 HD1 TYR 26 HD1 TYR 26 12.999 -1.854 -1.367 202 HD2 TYR 26 HD2 TYR 26 10.157 1.322 -0.799 203 HE1 TYR 26 HE1 TYR 26 12.186 -2.175 -3.650 204 HE2 TYR 26 HE2 TYR 26 9.344 0.985 -3.097 205 HH TYR 26 HH TYR 26 10.777 -1.463 -5.226 206 H ARG 27 H ARG 27 11.440 -0.945 3.553 207 HA ARG 27 HA ARG 27 13.332 0.665 5.223 208 1HB ARG 27 1HB ARG 27 10.728 0.536 5.412 209 2HB ARG 27 2HB ARG 27 10.909 -1.068 6.086 210 1HG ARG 27 1HG ARG 27 10.547 0.574 7.876 211 2HG ARG 27 2HG ARG 27 12.136 -0.124 8.061 212 1HD ARG 27 1HD ARG 27 12.255 2.256 8.534 213 2HD ARG 27 2HD ARG 27 13.222 1.947 7.134 214 HE ARG 27 HE ARG 27 10.454 3.294 7.204 215 1HH1 ARG 27 1HH1 ARG 27 13.362 2.701 5.297 216 2HH1 ARG 27 2HH1 ARG 27 12.754 3.804 3.980 217 1HH2 ARG 27 1HH2 ARG 27 9.864 4.532 5.676 218 2HH2 ARG 27 2HH2 ARG 27 10.907 4.804 4.208 219 H ARG 28 H ARG 28 13.178 -2.829 4.631 220 HA ARG 28 HA ARG 28 14.859 -3.568 6.907 221 1HB ARG 28 1HB ARG 28 13.403 -5.217 5.707 222 2HB ARG 28 2HB ARG 28 14.207 -4.887 4.184 223 1HG ARG 28 1HG ARG 28 14.927 -7.058 5.074 224 2HG ARG 28 2HG ARG 28 16.283 -5.965 4.929 225 1HD ARG 28 1HD ARG 28 15.957 -5.462 7.538 226 2HD ARG 28 2HD ARG 28 14.813 -6.779 7.524 227 HE ARG 28 HE ARG 28 16.619 -8.370 7.314 228 1HH1 ARG 28 1HH1 ARG 28 17.910 -5.159 6.638 229 2HH1 ARG 28 2HH1 ARG 28 19.618 -5.776 6.816 230 1HH2 ARG 28 1HH2 ARG 28 18.585 -8.985 7.476 231 2HH2 ARG 28 2HH2 ARG 28 19.965 -7.821 7.247 232 H TYR 29 H TYR 29 15.484 -2.359 3.640 233 HA TYR 29 HA TYR 29 18.486 -2.091 4.324 234 1HB TYR 29 1HB TYR 29 18.794 -2.219 1.755 235 2HB TYR 29 2HB TYR 29 18.528 -3.687 2.631 236 HD1 TYR 29 HD1 TYR 29 17.032 -1.259 0.208 237 HD2 TYR 29 HD2 TYR 29 16.597 -5.099 2.092 238 HE1 TYR 29 HE1 TYR 29 15.353 -1.904 -1.468 239 HE2 TYR 29 HE2 TYR 29 14.904 -5.722 0.441 240 HH TYR 29 HH TYR 29 13.915 -5.152 -1.495 241 H THR 30 H THR 30 16.417 -0.113 4.922 242 HA THR 30 HA THR 30 18.210 2.148 4.283 243 HB THR 30 HB THR 30 15.395 2.468 3.174 244 HG1 THR 30 HG1 THR 30 17.446 1.350 2.042 245 1HG2 THR 30 1HG2 THR 30 17.821 4.396 3.035 246 2HG2 THR 30 2HG2 THR 30 16.266 4.647 2.216 247 3HG2 THR 30 3HG2 THR 30 16.341 4.676 3.991 248 HA PRO 31 HA PRO 31 15.767 2.606 8.285 249 1HB PRO 31 1HB PRO 31 17.719 3.701 9.833 250 2HB PRO 31 2HB PRO 31 17.870 2.056 9.195 251 1HG PRO 31 1HG PRO 31 19.107 4.621 8.041 252 2HG PRO 31 2HG PRO 31 19.943 3.093 8.409 253 1HD PRO 31 1HD PRO 31 18.943 3.738 5.838 254 2HD PRO 31 2HD PRO 31 19.076 2.042 6.410 255 H TYR 32 H TYR 32 14.653 4.111 6.645 256 HA TYR 32 HA TYR 32 13.261 6.063 6.352 257 1HB TYR 32 1HB TYR 32 14.327 6.933 9.129 258 2HB TYR 32 2HB TYR 32 13.125 7.794 8.231 259 HD1 TYR 32 HD1 TYR 32 10.818 6.805 7.833 260 HD2 TYR 32 HD2 TYR 32 13.704 4.869 10.365 261 HE1 TYR 32 HE1 TYR 32 9.031 5.421 8.831 262 HE2 TYR 32 HE2 TYR 32 11.913 3.501 11.353 263 HH TYR 32 HH TYR 32 9.700 3.129 11.439 Start of MODEL 2 1 1H CYS 1 1H CYS 1 -19.345 -16.820 -2.370 2 2H CYS 1 2H CYS 1 -18.868 -18.255 -1.752 3 HA CYS 1 HA CYS 1 -16.530 -17.502 -1.732 4 1HB CYS 1 1HB CYS 1 -16.824 -15.927 -3.650 5 2HB CYS 1 2HB CYS 1 -17.853 -14.867 -2.673 6 HG CYS 1 HG CYS 1 -16.133 -14.045 -1.038 7 H ALA 2 H ALA 2 -16.564 -17.887 0.425 8 HA ALA 2 HA ALA 2 -18.442 -16.821 2.374 9 1HB ALA 2 1HB ALA 2 -17.115 -18.979 2.576 10 2HB ALA 2 2HB ALA 2 -15.608 -18.046 2.795 11 3HB ALA 2 3HB ALA 2 -16.905 -17.963 4.007 12 H LYS 3 H LYS 3 -15.682 -15.117 1.237 13 HA LYS 3 HA LYS 3 -16.319 -12.882 2.855 14 1HB LYS 3 1HB LYS 3 -14.477 -12.445 4.272 15 2HB LYS 3 2HB LYS 3 -14.896 -14.092 4.614 16 1HG LYS 3 1HG LYS 3 -12.465 -13.127 2.972 17 2HG LYS 3 2HG LYS 3 -12.427 -13.582 4.643 18 1HD LYS 3 1HD LYS 3 -12.498 -15.861 4.288 19 2HD LYS 3 2HD LYS 3 -13.494 -15.805 2.870 20 1HE LYS 3 1HE LYS 3 -10.520 -14.931 2.879 21 2HE LYS 3 2HE LYS 3 -11.046 -16.567 2.502 22 1HZ LYS 3 1HZ LYS 3 -12.365 -14.337 1.002 23 2HZ LYS 3 2HZ LYS 3 -10.828 -14.752 0.537 24 3HZ LYS 3 3HZ LYS 3 -12.062 -15.856 0.481 25 H VAL 4 H VAL 4 -16.308 -11.409 1.300 26 HA VAL 4 HA VAL 4 -14.325 -11.546 -1.018 27 HB VAL 4 HB VAL 4 -16.842 -11.468 -1.313 28 1HG1 VAL 4 1HG1 VAL 4 -17.527 -9.762 0.432 29 2HG1 VAL 4 2HG1 VAL 4 -16.730 -8.485 -0.511 30 3HG1 VAL 4 3HG1 VAL 4 -18.124 -9.358 -1.185 31 1HG2 VAL 4 1HG2 VAL 4 -15.314 -10.874 -3.180 32 2HG2 VAL 4 2HG2 VAL 4 -16.839 -9.975 -3.262 33 3HG2 VAL 4 3HG2 VAL 4 -15.363 -9.162 -2.700 34 H LYS 5 H LYS 5 -12.917 -10.899 1.120 35 HA LYS 5 HA LYS 5 -11.547 -8.514 0.144 36 1HB LYS 5 1HB LYS 5 -13.187 -7.282 1.563 37 2HB LYS 5 2HB LYS 5 -12.822 -8.285 2.948 38 1HG LYS 5 1HG LYS 5 -11.814 -6.080 3.200 39 2HG LYS 5 2HG LYS 5 -10.564 -7.310 3.180 40 1HD LYS 5 1HD LYS 5 -9.962 -6.747 0.813 41 2HD LYS 5 2HD LYS 5 -11.317 -5.622 0.696 42 1HE LYS 5 1HE LYS 5 -10.306 -4.174 2.517 43 2HE LYS 5 2HE LYS 5 -8.960 -5.303 2.708 44 1HZ LYS 5 1HZ LYS 5 -9.564 -4.153 -0.009 45 2HZ LYS 5 2HZ LYS 5 -8.607 -3.302 1.050 46 3HZ LYS 5 3HZ LYS 5 -8.154 -4.787 0.480 47 H GLY 6 H GLY 6 -10.437 -10.541 -0.187 48 1HA GLY 6 1HA GLY 6 -8.584 -11.617 1.915 49 2HA GLY 6 2HA GLY 6 -10.117 -12.473 1.843 50 H ILE 7 H ILE 7 -7.552 -11.377 -0.351 51 HA ILE 7 HA ILE 7 -7.653 -14.085 -1.826 52 HB ILE 7 HB ILE 7 -6.721 -11.351 -2.924 53 1HG1 ILE 7 1HG1 ILE 7 -9.132 -11.315 -2.922 54 2HG1 ILE 7 2HG1 ILE 7 -8.582 -11.519 -4.557 55 1HG2 ILE 7 1HG2 ILE 7 -6.824 -14.121 -4.328 56 2HG2 ILE 7 2HG2 ILE 7 -6.496 -12.575 -5.143 57 3HG2 ILE 7 3HG2 ILE 7 -5.358 -13.188 -3.946 58 1HD1 ILE 7 1HD1 ILE 7 -9.224 -14.004 -4.459 59 2HD1 ILE 7 2HD1 ILE 7 -9.806 -13.757 -2.792 60 3HD1 ILE 7 3HD1 ILE 7 -10.593 -12.916 -4.141 61 H THR 8 H THR 8 -5.860 -15.265 -1.671 62 HA THR 8 HA THR 8 -4.162 -15.067 0.508 63 HB THR 8 HB THR 8 -3.506 -16.537 -2.138 64 HG1 THR 8 HG1 THR 8 -4.664 -18.225 -0.758 65 1HG2 THR 8 1HG2 THR 8 -2.915 -17.370 0.802 66 2HG2 THR 8 2HG2 THR 8 -2.591 -18.372 -0.639 67 3HG2 THR 8 3HG2 THR 8 -1.691 -16.870 -0.387 68 H GLN 9 H GLN 9 -3.345 -13.219 -2.336 69 HA GLN 9 HA GLN 9 -1.140 -12.102 -0.995 70 1HB GLN 9 1HB GLN 9 -0.503 -13.721 -3.566 71 2HB GLN 9 2HB GLN 9 0.412 -12.288 -3.245 72 1HG GLN 9 1HG GLN 9 0.336 -14.766 -1.436 73 2HG GLN 9 2HG GLN 9 1.644 -14.247 -2.473 74 1HE2 GLN 9 2HE2 GLN 9 0.214 -13.813 0.605 75 2HE2 GLN 9 1HE2 GLN 9 1.507 -12.649 1.220 76 H GLY 10 H GLY 10 -3.664 -11.311 -1.597 77 1HA GLY 10 1HA GLY 10 -3.284 -8.942 -3.433 78 2HA GLY 10 2HA GLY 10 -4.241 -10.275 -4.057 79 HA PRO 11 HA PRO 11 -7.619 -8.594 -1.192 80 1HB PRO 11 1HB PRO 11 -7.211 -7.505 1.298 81 2HB PRO 11 2HB PRO 11 -6.997 -9.233 0.990 82 1HG PRO 11 1HG PRO 11 -4.786 -7.080 0.992 83 2HG PRO 11 2HG PRO 11 -4.836 -8.570 1.970 84 1HD PRO 11 1HD PRO 11 -3.474 -8.549 -0.428 85 2HD PRO 11 2HD PRO 11 -4.440 -9.971 0.052 86 H ASN 12 H ASN 12 -7.050 -7.216 -3.104 87 HA ASN 12 HA ASN 12 -7.242 -5.176 -4.369 88 1HB ASN 12 1HB ASN 12 -7.828 -3.613 -1.782 89 2HB ASN 12 2HB ASN 12 -8.045 -3.052 -3.409 90 1HD2 ASN 12 2HD2 ASN 12 -9.680 -4.657 -4.711 91 2HD2 ASN 12 1HD2 ASN 12 -11.202 -4.926 -3.712 92 H GLU 13 H GLU 13 -4.967 -5.728 -4.534 93 HA GLU 13 HA GLU 13 -3.012 -4.331 -2.780 94 1HB GLU 13 1HB GLU 13 -1.395 -5.768 -3.873 95 2HB GLU 13 2HB GLU 13 -2.804 -6.716 -3.528 96 1HG GLU 13 1HG GLU 13 -3.461 -6.616 -5.999 97 2HG GLU 13 2HG GLU 13 -2.058 -5.609 -6.331 98 HE2 GLU 13 HE2 GLU 13 -1.265 -8.941 -7.298 99 H SER 14 H SER 14 -4.114 -3.410 -5.945 100 HA SER 14 HA SER 14 -1.834 -1.641 -6.647 101 1HB SER 14 1HB SER 14 -3.497 -0.622 -8.231 102 2HB SER 14 2HB SER 14 -3.408 -2.371 -8.369 103 HG SER 14 HG SER 14 -5.567 -1.522 -8.355 104 HA PRO 15 HA PRO 15 -3.859 2.029 -4.214 105 1HB PRO 15 1HB PRO 15 -5.556 1.482 -2.051 106 2HB PRO 15 2HB PRO 15 -6.105 1.844 -3.693 107 1HG PRO 15 1HG PRO 15 -5.748 -0.921 -2.424 108 2HG PRO 15 2HG PRO 15 -7.157 -0.309 -3.320 109 1HD PRO 15 1HD PRO 15 -5.306 -1.876 -4.555 110 2HD PRO 15 2HD PRO 15 -6.017 -0.503 -5.443 111 H SER 16 H SER 16 -3.422 -0.879 -2.074 112 HA SER 16 HA SER 16 -0.788 -0.243 -1.369 113 1HB SER 16 1HB SER 16 -2.749 0.921 0.724 114 2HB SER 16 2HB SER 16 -1.119 0.445 1.182 115 HG SER 16 HG SER 16 -1.557 2.108 -1.068 116 H ALA 17 H ALA 17 -1.055 -2.489 -1.876 117 HA ALA 17 HA ALA 17 -0.473 -3.865 0.759 118 1HB ALA 17 1HB ALA 17 -2.920 -4.578 0.107 119 2HB ALA 17 2HB ALA 17 -2.198 -5.520 -1.221 120 3HB ALA 17 3HB ALA 17 -1.767 -5.876 0.454 121 H PHE 18 H PHE 18 -0.241 -4.114 -2.845 122 HA PHE 18 HA PHE 18 2.353 -5.693 -2.659 123 1HB PHE 18 1HB PHE 18 0.708 -5.787 -4.700 124 2HB PHE 18 2HB PHE 18 1.211 -4.168 -5.101 125 HD1 PHE 18 HD1 PHE 18 2.285 -7.734 -4.764 126 HD2 PHE 18 HD2 PHE 18 3.532 -3.820 -6.041 127 HE1 PHE 18 HE1 PHE 18 4.276 -8.708 -5.834 128 HE2 PHE 18 HE2 PHE 18 5.513 -4.812 -7.114 129 HZ PHE 18 HZ PHE 18 5.891 -7.252 -7.009 130 H LEU 19 H LEU 19 1.376 -2.314 -3.218 131 HA LEU 19 HA LEU 19 4.006 -1.002 -3.086 132 1HB LEU 19 1HB LEU 19 1.161 -0.155 -2.203 133 2HB LEU 19 2HB LEU 19 2.523 0.875 -1.954 134 HG LEU 19 HG LEU 19 2.996 0.826 -4.486 135 1HD1 LEU 19 1HD1 LEU 19 0.150 -0.412 -4.580 136 2HD1 LEU 19 2HD1 LEU 19 0.966 0.341 -5.965 137 3HD1 LEU 19 3HD1 LEU 19 1.642 -1.125 -5.251 138 1HD2 LEU 19 1HD2 LEU 19 1.923 2.770 -3.307 139 2HD2 LEU 19 2HD2 LEU 19 1.241 2.561 -4.928 140 3HD2 LEU 19 3HD2 LEU 19 0.316 2.029 -3.509 141 H GLU 20 H GLU 20 1.804 -1.756 -0.248 142 HA GLU 20 HA GLU 20 3.781 -1.214 1.738 143 1HB GLU 20 1HB GLU 20 1.274 -3.038 1.600 144 2HB GLU 20 2HB GLU 20 2.157 -2.997 3.065 145 1HG GLU 20 1HG GLU 20 1.806 -0.514 3.320 146 2HG GLU 20 2HG GLU 20 0.934 -0.472 1.794 147 HE2 GLU 20 HE2 GLU 20 -1.641 -0.494 4.116 148 H ARG 21 H ARG 21 3.228 -4.506 0.241 149 HA ARG 21 HA ARG 21 5.377 -5.823 1.600 150 1HB ARG 21 1HB ARG 21 4.118 -6.132 -1.188 151 2HB ARG 21 2HB ARG 21 5.521 -7.087 -0.790 152 1HG ARG 21 1HG ARG 21 4.485 -8.150 1.135 153 2HG ARG 21 2HG ARG 21 3.077 -7.115 1.091 154 1HD ARG 21 1HD ARG 21 3.824 -9.035 -1.233 155 2HD ARG 21 2HD ARG 21 2.823 -9.525 0.147 156 HE ARG 21 HE ARG 21 1.646 -7.066 -0.807 157 1HH1 ARG 21 1HH1 ARG 21 2.020 -10.366 -1.978 158 2HH1 ARG 21 2HH1 ARG 21 0.555 -10.148 -3.072 159 1HH2 ARG 21 1HH2 ARG 21 0.064 -6.947 -2.117 160 2HH2 ARG 21 2HH2 ARG 21 -0.380 -8.326 -3.239 161 H LEU 22 H LEU 22 5.675 -3.633 -1.271 162 HA LEU 22 HA LEU 22 8.581 -3.773 -1.380 163 1HB LEU 22 1HB LEU 22 6.621 -1.581 -2.309 164 2HB LEU 22 2HB LEU 22 8.321 -1.585 -2.695 165 HG LEU 22 HG LEU 22 6.358 -3.778 -3.611 166 1HD1 LEU 22 1HD1 LEU 22 5.811 -1.579 -4.653 167 2HD1 LEU 22 2HD1 LEU 22 7.504 -1.364 -5.172 168 3HD1 LEU 22 3HD1 LEU 22 6.508 -2.675 -5.857 169 1HD2 LEU 22 1HD2 LEU 22 9.284 -3.240 -4.478 170 2HD2 LEU 22 2HD2 LEU 22 8.716 -4.630 -3.523 171 3HD2 LEU 22 3HD2 LEU 22 8.181 -4.444 -5.198 172 H LYS 23 H LYS 23 6.346 -1.691 0.574 173 HA LYS 23 HA LYS 23 8.509 0.182 1.493 174 1HB LYS 23 1HB LYS 23 5.765 -0.516 2.750 175 2HB LYS 23 2HB LYS 23 6.812 0.729 3.369 176 1HG LYS 23 1HG LYS 23 5.505 0.809 0.587 177 2HG LYS 23 2HG LYS 23 4.919 1.613 2.028 178 1HD LYS 23 1HD LYS 23 7.116 2.972 2.117 179 2HD LYS 23 2HD LYS 23 7.638 2.145 0.665 180 1HE LYS 23 1HE LYS 23 6.835 4.229 -0.138 181 2HE LYS 23 2HE LYS 23 5.607 3.065 -0.609 182 1HZ LYS 23 1HZ LYS 23 5.449 4.844 1.838 183 2HZ LYS 23 2HZ LYS 23 4.571 5.069 0.466 184 3HZ LYS 23 3HZ LYS 23 4.294 3.761 1.423 185 H GLU 24 H GLU 24 7.136 -2.820 2.967 186 HA GLU 24 HA GLU 24 8.958 -2.707 5.269 187 1HB GLU 24 1HB GLU 24 8.108 -4.953 5.833 188 2HB GLU 24 2HB GLU 24 6.833 -3.832 5.486 189 1HG GLU 24 1HG GLU 24 5.970 -5.692 4.456 190 2HG GLU 24 2HG GLU 24 6.727 -4.924 3.084 191 HE2 GLU 24 HE2 GLU 24 7.389 -8.329 2.690 192 H ALA 25 H ALA 25 9.200 -4.414 2.086 193 HA ALA 25 HA ALA 25 11.760 -5.647 2.550 194 1HB ALA 25 1HB ALA 25 10.246 -6.134 0.576 195 2HB ALA 25 2HB ALA 25 10.542 -4.501 -0.069 196 3HB ALA 25 3HB ALA 25 11.865 -5.681 0.014 197 H TYR 26 H TYR 26 11.214 -2.416 0.923 198 HA TYR 26 HA TYR 26 13.972 -1.598 1.179 199 1HB TYR 26 1HB TYR 26 11.351 -0.003 0.754 200 2HB TYR 26 2HB TYR 26 12.922 0.738 0.639 201 HD1 TYR 26 HD1 TYR 26 14.677 -0.851 -0.951 202 HD2 TYR 26 HD2 TYR 26 10.444 -0.289 -1.445 203 HE1 TYR 26 HE1 TYR 26 14.887 -1.327 -3.354 204 HE2 TYR 26 HE2 TYR 26 10.665 -0.781 -3.839 205 HH TYR 26 HH TYR 26 12.065 -1.263 -5.503 206 H ARG 27 H ARG 27 11.706 -1.696 3.751 207 HA ARG 27 HA ARG 27 13.634 0.055 5.419 208 1HB ARG 27 1HB ARG 27 10.919 0.450 5.328 209 2HB ARG 27 2HB ARG 27 10.888 -0.922 6.394 210 1HG ARG 27 1HG ARG 27 10.864 1.031 7.789 211 2HG ARG 27 2HG ARG 27 12.461 0.356 7.986 212 1HD ARG 27 1HD ARG 27 12.687 2.762 7.816 213 2HD ARG 27 2HD ARG 27 13.413 2.119 6.376 214 HE ARG 27 HE ARG 27 10.752 3.625 6.598 215 1HH1 ARG 27 1HH1 ARG 27 12.935 2.025 4.371 216 2HH1 ARG 27 2HH1 ARG 27 12.297 2.994 2.970 217 1HH2 ARG 27 1HH2 ARG 27 10.047 4.664 4.957 218 2HH2 ARG 27 2HH2 ARG 27 10.732 4.382 3.296 219 H ARG 28 H ARG 28 14.825 -2.089 4.715 220 HA ARG 28 HA ARG 28 15.425 -3.574 7.065 221 1HB ARG 28 1HB ARG 28 13.226 -4.769 6.583 222 2HB ARG 28 2HB ARG 28 13.783 -5.215 4.983 223 1HG ARG 28 1HG ARG 28 15.530 -6.729 5.960 224 2HG ARG 28 2HG ARG 28 15.229 -6.114 7.570 225 1HD ARG 28 1HD ARG 28 14.249 -8.321 7.367 226 2HD ARG 28 2HD ARG 28 12.975 -7.173 7.650 227 HE ARG 28 HE ARG 28 13.596 -8.625 5.005 228 1HH1 ARG 28 1HH1 ARG 28 11.426 -6.449 6.651 229 2HH1 ARG 28 2HH1 ARG 28 10.109 -6.763 5.408 230 1HH2 ARG 28 1HH2 ARG 28 12.044 -8.908 3.622 231 2HH2 ARG 28 2HH2 ARG 28 10.447 -8.035 3.869 232 H TYR 29 H TYR 29 15.598 -3.738 3.454 233 HA TYR 29 HA TYR 29 17.959 -5.303 3.165 234 1HB TYR 29 1HB TYR 29 18.099 -4.421 1.002 235 2HB TYR 29 2HB TYR 29 16.408 -4.379 1.350 236 HD1 TYR 29 HD1 TYR 29 16.357 -1.524 2.853 237 HD2 TYR 29 HD2 TYR 29 18.139 -2.938 -0.808 238 HE1 TYR 29 HE1 TYR 29 16.261 0.726 1.934 239 HE2 TYR 29 HE2 TYR 29 18.000 -0.677 -1.725 240 HH TYR 29 HH TYR 29 17.360 1.421 -1.377 241 H THR 30 H THR 30 18.059 -2.044 4.401 242 HA THR 30 HA THR 30 21.091 -2.259 4.703 243 HB THR 30 HB THR 30 20.562 -0.095 3.761 244 HG1 THR 30 HG1 THR 30 20.981 0.728 6.360 245 1HG2 THR 30 1HG2 THR 30 18.801 0.542 6.251 246 2HG2 THR 30 2HG2 THR 30 19.312 1.702 5.001 247 3HG2 THR 30 3HG2 THR 30 18.202 0.384 4.583 248 HA PRO 31 HA PRO 31 19.628 -3.650 8.889 249 1HB PRO 31 1HB PRO 31 22.083 -3.861 10.199 250 2HB PRO 31 2HB PRO 31 21.539 -5.001 8.961 251 1HG PRO 31 1HG PRO 31 23.400 -2.594 8.572 252 2HG PRO 31 2HG PRO 31 23.671 -4.269 8.044 253 1HD PRO 31 1HD PRO 31 22.679 -2.356 6.325 254 2HD PRO 31 2HD PRO 31 22.098 -4.049 6.214 255 H TYR 32 H TYR 32 21.666 -0.817 8.587 256 HA TYR 32 HA TYR 32 20.072 0.549 10.840 257 1HB TYR 32 1HB TYR 32 23.020 1.137 10.093 258 2HB TYR 32 2HB TYR 32 22.057 2.106 11.171 259 HD1 TYR 32 HD1 TYR 32 21.265 1.164 13.419 260 HD2 TYR 32 HD2 TYR 32 24.037 -0.966 10.914 261 HE1 TYR 32 HE1 TYR 32 21.922 -0.240 15.328 262 HE2 TYR 32 HE2 TYR 32 24.685 -2.365 12.839 263 HH TYR 32 HH TYR 32 23.198 -1.923 16.027 Start of MODEL 3 1 1H CYS 1 1H CYS 1 0.321 -3.420 -6.859 2 2H CYS 1 2H CYS 1 0.952 -2.234 -7.783 3 HA CYS 1 HA CYS 1 -1.135 -4.107 -8.728 4 1HB CYS 1 1HB CYS 1 0.588 -1.999 -10.197 5 2HB CYS 1 2HB CYS 1 -0.487 -3.159 -10.986 6 HG CYS 1 HG CYS 1 -1.228 -0.729 -8.839 7 H ALA 2 H ALA 2 -0.370 -6.123 -8.994 8 HA ALA 2 HA ALA 2 2.628 -6.704 -8.780 9 1HB ALA 2 1HB ALA 2 0.998 -7.880 -7.289 10 2HB ALA 2 2HB ALA 2 0.154 -8.571 -8.692 11 3HB ALA 2 3HB ALA 2 1.835 -9.029 -8.343 12 H LYS 3 H LYS 3 2.844 -5.670 -10.882 13 HA LYS 3 HA LYS 3 3.658 -5.778 -13.124 14 1HB LYS 3 1HB LYS 3 4.640 -8.004 -12.360 15 2HB LYS 3 2HB LYS 3 3.196 -8.838 -12.892 16 1HG LYS 3 1HG LYS 3 3.636 -8.003 -15.280 17 2HG LYS 3 2HG LYS 3 5.098 -7.200 -14.710 18 1HD LYS 3 1HD LYS 3 6.042 -9.432 -13.960 19 2HD LYS 3 2HD LYS 3 4.564 -10.242 -14.487 20 1HE LYS 3 1HE LYS 3 4.985 -9.461 -16.888 21 2HE LYS 3 2HE LYS 3 6.468 -8.652 -16.367 22 1HZ LYS 3 1HZ LYS 3 5.956 -11.622 -16.065 23 2HZ LYS 3 2HZ LYS 3 6.945 -10.961 -17.200 24 3HZ LYS 3 3HZ LYS 3 7.336 -10.869 -15.605 25 H VAL 4 H VAL 4 1.134 -8.227 -13.243 26 HA VAL 4 HA VAL 4 -0.756 -6.312 -14.645 27 HB VAL 4 HB VAL 4 -0.211 -9.102 -15.844 28 1HG1 VAL 4 1HG1 VAL 4 -2.674 -8.583 -15.940 29 2HG1 VAL 4 2HG1 VAL 4 -2.335 -7.011 -16.703 30 3HG1 VAL 4 3HG1 VAL 4 -1.963 -8.528 -17.556 31 1HG2 VAL 4 1HG2 VAL 4 1.467 -7.405 -16.657 32 2HG2 VAL 4 2HG2 VAL 4 0.372 -7.876 -17.966 33 3HG2 VAL 4 3HG2 VAL 4 0.158 -6.309 -17.141 34 H LYS 5 H LYS 5 -1.631 -6.242 -12.571 35 HA LYS 5 HA LYS 5 -3.765 -8.017 -11.795 36 1HB LYS 5 1HB LYS 5 -1.076 -8.751 -10.598 37 2HB LYS 5 2HB LYS 5 -2.327 -8.569 -9.414 38 1HG LYS 5 1HG LYS 5 -3.669 -10.325 -10.170 39 2HG LYS 5 2HG LYS 5 -2.987 -10.399 -11.773 40 1HD LYS 5 1HD LYS 5 -1.126 -10.946 -9.366 41 2HD LYS 5 2HD LYS 5 -2.314 -12.142 -9.794 42 1HE LYS 5 1HE LYS 5 -0.146 -12.703 -10.825 43 2HE LYS 5 2HE LYS 5 -1.406 -12.496 -12.033 44 1HZ LYS 5 1HZ LYS 5 0.569 -10.282 -11.378 45 2HZ LYS 5 2HZ LYS 5 0.727 -11.309 -12.665 46 3HZ LYS 5 3HZ LYS 5 -0.560 -10.277 -12.564 47 H GLY 6 H GLY 6 -4.538 -5.863 -11.801 48 1HA GLY 6 1HA GLY 6 -3.784 -4.000 -9.526 49 2HA GLY 6 2HA GLY 6 -3.143 -3.586 -11.110 50 H ILE 7 H ILE 7 -4.254 -1.692 -11.327 51 HA ILE 7 HA ILE 7 -7.127 -1.288 -10.770 52 HB ILE 7 HB ILE 7 -5.305 0.461 -12.566 53 1HG1 ILE 7 1HG1 ILE 7 -4.127 0.353 -10.456 54 2HG1 ILE 7 2HG1 ILE 7 -4.875 1.913 -10.607 55 1HG2 ILE 7 1HG2 ILE 7 -7.898 1.143 -10.981 56 2HG2 ILE 7 2HG2 ILE 7 -6.905 2.313 -11.882 57 3HG2 ILE 7 3HG2 ILE 7 -7.754 1.031 -12.749 58 1HD1 ILE 7 1HD1 ILE 7 -6.683 1.199 -8.929 59 2HD1 ILE 7 2HD1 ILE 7 -5.868 -0.385 -8.785 60 3HD1 ILE 7 3HD1 ILE 7 -5.037 1.097 -8.272 61 H THR 8 H THR 8 -8.239 -2.814 -11.829 62 HA THR 8 HA THR 8 -8.311 -2.962 -14.909 63 HB THR 8 HB THR 8 -8.333 -5.524 -14.532 64 HG1 THR 8 HG1 THR 8 -7.201 -4.771 -12.003 65 1HG2 THR 8 1HG2 THR 8 -6.248 -4.383 -15.375 66 2HG2 THR 8 2HG2 THR 8 -5.704 -4.102 -13.708 67 3HG2 THR 8 3HG2 THR 8 -5.862 -5.763 -14.323 68 H GLN 9 H GLN 9 -10.008 -4.563 -12.160 69 HA GLN 9 HA GLN 9 -12.484 -3.315 -12.766 70 1HB GLN 9 1HB GLN 9 -13.953 -5.268 -13.229 71 2HB GLN 9 2HB GLN 9 -12.825 -4.965 -14.529 72 1HG GLN 9 1HG GLN 9 -11.377 -6.938 -13.662 73 2HG GLN 9 2HG GLN 9 -12.610 -7.259 -12.462 74 1HE2 GLN 9 2HE2 GLN 9 -11.835 -7.539 -15.841 75 2HE2 GLN 9 1HE2 GLN 9 -13.332 -8.551 -16.221 76 H GLY 10 H GLY 10 -11.362 -2.805 -10.797 77 1HA GLY 10 1HA GLY 10 -11.793 -3.970 -8.161 78 2HA GLY 10 2HA GLY 10 -10.606 -4.977 -8.983 79 HA PRO 11 HA PRO 11 -8.280 -0.750 -8.653 80 1HB PRO 11 1HB PRO 11 -9.294 1.344 -7.161 81 2HB PRO 11 2HB PRO 11 -9.771 1.012 -8.835 82 1HG PRO 11 1HG PRO 11 -11.251 0.181 -6.283 83 2HG PRO 11 2HG PRO 11 -11.930 1.000 -7.711 84 1HD PRO 11 1HD PRO 11 -12.152 -1.729 -7.398 85 2HD PRO 11 2HD PRO 11 -11.856 -1.046 -9.030 86 H ASN 12 H ASN 12 -7.212 -2.394 -7.546 87 HA ASN 12 HA ASN 12 -7.077 -2.897 -4.767 88 1HB ASN 12 1HB ASN 12 -5.091 -4.128 -5.189 89 2HB ASN 12 2HB ASN 12 -5.986 -4.225 -6.675 90 1HD2 ASN 12 2HD2 ASN 12 -3.021 -4.325 -5.840 91 2HD2 ASN 12 1HD2 ASN 12 -2.235 -3.181 -7.042 92 H GLU 13 H GLU 13 -5.364 -0.180 -6.204 93 HA GLU 13 HA GLU 13 -3.864 0.550 -3.612 94 1HB GLU 13 1HB GLU 13 -4.214 2.225 -6.158 95 2HB GLU 13 2HB GLU 13 -3.116 2.520 -4.831 96 1HG GLU 13 1HG GLU 13 -3.002 0.152 -6.773 97 2HG GLU 13 2HG GLU 13 -1.931 1.551 -6.818 98 HE2 GLU 13 HE2 GLU 13 -1.179 -1.636 -4.563 99 H SER 14 H SER 14 -5.925 0.264 -2.581 100 HA SER 14 HA SER 14 -7.267 3.042 -2.126 101 1HB SER 14 1HB SER 14 -8.814 1.225 -2.953 102 2HB SER 14 2HB SER 14 -8.345 0.174 -1.610 103 HG SER 14 HG SER 14 -9.034 1.936 -0.208 104 HA PRO 15 HA PRO 15 -4.498 3.087 -1.839 105 1HB PRO 15 1HB PRO 15 -2.483 4.147 -0.478 106 2HB PRO 15 2HB PRO 15 -4.085 4.855 -0.290 107 1HG PRO 15 1HG PRO 15 -2.840 2.663 1.516 108 2HG PRO 15 2HG PRO 15 -3.250 4.314 1.941 109 1HD PRO 15 1HD PRO 15 -5.092 2.149 2.194 110 2HD PRO 15 2HD PRO 15 -5.686 3.789 1.783 111 H SER 16 H SER 16 -2.010 2.714 -1.266 112 HA SER 16 HA SER 16 -0.270 0.901 -2.252 113 1HB SER 16 1HB SER 16 0.092 2.682 -0.435 114 2HB SER 16 2HB SER 16 -0.589 1.582 0.774 115 HG SER 16 HG SER 16 1.097 0.078 0.000 116 H ALA 17 H ALA 17 -2.609 -0.986 -1.936 117 HA ALA 17 HA ALA 17 -1.286 -3.361 -0.803 118 1HB ALA 17 1HB ALA 17 -3.746 -3.233 -1.458 119 2HB ALA 17 2HB ALA 17 -3.295 -3.152 -3.179 120 3HB ALA 17 3HB ALA 17 -2.955 -4.621 -2.230 121 H PHE 18 H PHE 18 0.035 -4.907 -1.725 122 HA PHE 18 HA PHE 18 2.037 -5.597 -2.795 123 1HB PHE 18 1HB PHE 18 0.628 -5.426 -4.982 124 2HB PHE 18 2HB PHE 18 1.269 -3.824 -5.213 125 HD1 PHE 18 HD1 PHE 18 2.339 -7.425 -4.808 126 HD2 PHE 18 HD2 PHE 18 3.387 -3.542 -6.334 127 HE1 PHE 18 HE1 PHE 18 4.272 -8.399 -5.980 128 HE2 PHE 18 HE2 PHE 18 5.312 -4.532 -7.505 129 HZ PHE 18 HZ PHE 18 5.762 -6.957 -7.329 130 H LEU 19 H LEU 19 1.510 -2.086 -3.164 131 HA LEU 19 HA LEU 19 4.377 -1.315 -2.860 132 1HB LEU 19 1HB LEU 19 1.642 0.075 -2.765 133 2HB LEU 19 2HB LEU 19 2.958 0.917 -2.039 134 HG LEU 19 HG LEU 19 2.481 1.641 -4.326 135 1HD1 LEU 19 1HD1 LEU 19 4.767 2.008 -3.406 136 2HD1 LEU 19 2HD1 LEU 19 5.321 0.457 -4.076 137 3HD1 LEU 19 3HD1 LEU 19 4.819 1.770 -5.162 138 1HD2 LEU 19 1HD2 LEU 19 1.812 -0.529 -5.390 139 2HD2 LEU 19 2HD2 LEU 19 3.040 0.332 -6.342 140 3HD2 LEU 19 3HD2 LEU 19 3.503 -1.078 -5.359 141 H GLU 20 H GLU 20 1.915 -1.979 -0.278 142 HA GLU 20 HA GLU 20 3.835 -1.364 1.822 143 1HB GLU 20 1HB GLU 20 1.266 -3.120 1.640 144 2HB GLU 20 2HB GLU 20 2.196 -3.135 3.114 145 1HG GLU 20 1HG GLU 20 0.855 -0.619 1.956 146 2HG GLU 20 2HG GLU 20 0.248 -1.615 3.254 147 HE2 GLU 20 HE2 GLU 20 2.283 -0.307 5.672 148 H ARG 21 H ARG 21 3.354 -4.445 0.068 149 HA ARG 21 HA ARG 21 5.365 -5.948 1.544 150 1HB ARG 21 1HB ARG 21 4.326 -6.194 -1.351 151 2HB ARG 21 2HB ARG 21 5.456 -7.329 -0.657 152 1HG ARG 21 1HG ARG 21 2.648 -6.813 0.516 153 2HG ARG 21 2HG ARG 21 3.015 -8.082 -0.634 154 1HD ARG 21 1HD ARG 21 4.478 -9.271 0.916 155 2HD ARG 21 2HD ARG 21 4.546 -7.963 2.063 156 HE ARG 21 HE ARG 21 2.149 -9.790 1.553 157 1HH1 ARG 21 1HH1 ARG 21 3.434 -7.157 3.498 158 2HH1 ARG 21 2HH1 ARG 21 2.080 -7.331 4.700 159 1HH2 ARG 21 1HH2 ARG 21 0.664 -9.942 2.978 160 2HH2 ARG 21 2HH2 ARG 21 0.609 -8.821 4.410 161 H LEU 22 H LEU 22 5.651 -3.772 -1.320 162 HA LEU 22 HA LEU 22 8.550 -3.928 -1.461 163 1HB LEU 22 1HB LEU 22 6.588 -1.721 -2.355 164 2HB LEU 22 2HB LEU 22 8.282 -1.738 -2.774 165 HG LEU 22 HG LEU 22 6.287 -3.915 -3.660 166 1HD1 LEU 22 1HD1 LEU 22 7.468 -1.529 -5.234 167 2HD1 LEU 22 2HD1 LEU 22 6.478 -2.839 -5.922 168 3HD1 LEU 22 3HD1 LEU 22 5.771 -1.736 -4.735 169 1HD2 LEU 22 1HD2 LEU 22 9.227 -3.429 -4.515 170 2HD2 LEU 22 2HD2 LEU 22 8.622 -4.818 -3.578 171 3HD2 LEU 22 3HD2 LEU 22 8.114 -4.605 -5.258 172 H LYS 23 H LYS 23 6.370 -1.832 0.536 173 HA LYS 23 HA LYS 23 8.595 0.053 1.289 174 1HB LYS 23 1HB LYS 23 6.095 0.526 1.105 175 2HB LYS 23 2HB LYS 23 5.825 -0.370 2.608 176 1HG LYS 23 1HG LYS 23 7.339 1.354 3.763 177 2HG LYS 23 2HG LYS 23 7.546 2.187 2.234 178 1HD LYS 23 1HD LYS 23 4.895 1.846 3.805 179 2HD LYS 23 2HD LYS 23 5.876 3.275 3.695 180 1HE LYS 23 1HE LYS 23 4.170 3.833 2.212 181 2HE LYS 23 2HE LYS 23 5.423 3.308 1.098 182 1HZ LYS 23 1HZ LYS 23 3.294 1.424 2.132 183 2HZ LYS 23 2HZ LYS 23 3.050 2.265 0.742 184 3HZ LYS 23 3HZ LYS 23 4.256 1.154 0.830 185 H GLU 24 H GLU 24 7.135 -2.780 2.984 186 HA GLU 24 HA GLU 24 8.888 -2.606 5.319 187 1HB GLU 24 1HB GLU 24 8.003 -4.810 5.889 188 2HB GLU 24 2HB GLU 24 6.704 -3.792 5.341 189 1HG GLU 24 1HG GLU 24 7.077 -5.049 2.971 190 2HG GLU 24 2HG GLU 24 7.972 -6.214 3.916 191 HE2 GLU 24 HE2 GLU 24 5.029 -4.588 3.570 192 H ALA 25 H ALA 25 9.211 -4.390 2.189 193 HA ALA 25 HA ALA 25 11.823 -5.507 2.668 194 1HB ALA 25 1HB ALA 25 10.284 -6.172 0.777 195 2HB ALA 25 2HB ALA 25 10.486 -4.573 0.023 196 3HB ALA 25 3HB ALA 25 11.865 -5.686 0.146 197 H TYR 26 H TYR 26 11.086 -2.342 0.952 198 HA TYR 26 HA TYR 26 13.757 -1.356 0.959 199 1HB TYR 26 1HB TYR 26 10.957 -0.133 0.784 200 2HB TYR 26 2HB TYR 26 12.169 0.982 1.285 201 HD1 TYR 26 HD1 TYR 26 11.165 -1.213 -1.563 202 HD2 TYR 26 HD2 TYR 26 14.029 1.677 -0.163 203 HE1 TYR 26 HE1 TYR 26 11.990 -0.898 -3.863 204 HE2 TYR 26 HE2 TYR 26 14.835 1.981 -2.463 205 HH TYR 26 HH TYR 26 14.576 1.411 -4.604 206 H ARG 27 H ARG 27 11.603 -1.333 3.775 207 HA ARG 27 HA ARG 27 13.673 0.112 5.440 208 1HB ARG 27 1HB ARG 27 10.895 -0.298 5.757 209 2HB ARG 27 2HB ARG 27 11.489 -1.637 6.692 210 1HG ARG 27 1HG ARG 27 11.304 0.022 8.317 211 2HG ARG 27 2HG ARG 27 13.000 0.199 7.961 212 1HD ARG 27 1HD ARG 27 10.689 1.912 6.795 213 2HD ARG 27 2HD ARG 27 11.709 2.393 8.158 214 HE ARG 27 HE ARG 27 13.646 1.955 6.140 215 1HH1 ARG 27 1HH1 ARG 27 10.827 3.979 6.272 216 2HH1 ARG 27 2HH1 ARG 27 11.511 5.102 4.997 217 1HH2 ARG 27 1HH2 ARG 27 14.360 3.177 4.752 218 2HH2 ARG 27 2HH2 ARG 27 13.439 4.648 4.157 219 H ARG 28 H ARG 28 13.753 -3.081 4.235 220 HA ARG 28 HA ARG 28 15.760 -3.878 6.280 221 1HB ARG 28 1HB ARG 28 15.144 -5.221 3.571 222 2HB ARG 28 2HB ARG 28 16.210 -5.845 4.803 223 1HG ARG 28 1HG ARG 28 13.153 -5.564 5.028 224 2HG ARG 28 2HG ARG 28 14.013 -7.049 4.690 225 1HD ARG 28 1HD ARG 28 15.002 -7.165 6.919 226 2HD ARG 28 2HD ARG 28 14.570 -5.526 7.334 227 HE ARG 28 HE ARG 28 12.744 -7.905 7.405 228 1HH1 ARG 28 1HH1 ARG 28 12.745 -4.436 7.178 229 2HH1 ARG 28 2HH1 ARG 28 11.096 -4.299 7.951 230 1HH2 ARG 28 1HH2 ARG 28 10.867 -7.725 8.275 231 2HH2 ARG 28 2HH2 ARG 28 10.106 -6.093 8.547 232 H TYR 29 H TYR 29 15.558 -2.856 2.846 233 HA TYR 29 HA TYR 29 18.438 -2.704 2.364 234 1HB TYR 29 1HB TYR 29 16.357 -0.941 0.946 235 2HB TYR 29 2HB TYR 29 17.874 -1.510 0.301 236 HD1 TYR 29 HD1 TYR 29 17.173 -4.632 1.220 237 HD2 TYR 29 HD2 TYR 29 15.197 -1.556 -1.054 238 HE1 TYR 29 HE1 TYR 29 15.737 -6.317 0.164 239 HE2 TYR 29 HE2 TYR 29 13.772 -3.243 -2.090 240 HH TYR 29 HH TYR 29 13.335 -5.421 -2.297 241 H THR 30 H THR 30 16.187 -0.025 3.235 242 HA THR 30 HA THR 30 18.596 1.550 4.354 243 HB THR 30 HB THR 30 16.116 2.701 3.114 244 HG1 THR 30 HG1 THR 30 18.012 1.782 1.851 245 1HG2 THR 30 1HG2 THR 30 18.645 4.144 4.179 246 2HG2 THR 30 2HG2 THR 30 17.324 4.937 3.291 247 3HG2 THR 30 3HG2 THR 30 17.014 4.247 4.900 248 HA PRO 31 HA PRO 31 15.448 0.519 7.746 249 1HB PRO 31 1HB PRO 31 17.190 -0.406 9.641 250 2HB PRO 31 2HB PRO 31 16.845 -1.320 8.165 251 1HG PRO 31 1HG PRO 31 19.250 0.520 8.683 252 2HG PRO 31 2HG PRO 31 19.279 -1.165 8.096 253 1HD PRO 31 1HD PRO 31 19.346 1.050 6.352 254 2HD PRO 31 2HD PRO 31 18.566 -0.487 5.866 255 H TYR 32 H TYR 32 15.596 3.055 7.281 256 HA TYR 32 HA TYR 32 16.152 4.481 9.965 257 1HB TYR 32 1HB TYR 32 16.824 5.420 7.084 258 2HB TYR 32 2HB TYR 32 16.892 6.464 8.473 259 HD1 TYR 32 HD1 TYR 32 18.568 6.048 10.346 260 HD2 TYR 32 HD2 TYR 32 18.671 3.792 6.687 261 HE1 TYR 32 HE1 TYR 32 20.864 5.329 10.846 262 HE2 TYR 32 HE2 TYR 32 20.976 3.083 7.199 263 HH TYR 32 HH TYR 32 22.616 4.142 10.160 Start of MODEL 4 1 1H CYS 1 1H CYS 1 -9.592 -5.043 -10.470 2 2H CYS 1 2H CYS 1 -11.055 -4.417 -10.788 3 HA CYS 1 HA CYS 1 -8.796 -4.779 -12.643 4 1HB CYS 1 1HB CYS 1 -11.757 -5.698 -12.553 5 2HB CYS 1 2HB CYS 1 -10.645 -6.013 -13.897 6 HG CYS 1 HG CYS 1 -10.921 -8.144 -12.388 7 H ALA 2 H ALA 2 -12.200 -3.527 -12.992 8 HA ALA 2 HA ALA 2 -11.314 -1.667 -15.185 9 1HB ALA 2 1HB ALA 2 -13.491 -2.934 -15.242 10 2HB ALA 2 2HB ALA 2 -14.078 -2.028 -13.823 11 3HB ALA 2 3HB ALA 2 -13.756 -1.187 -15.350 12 H LYS 3 H LYS 3 -9.798 -0.587 -13.793 13 HA LYS 3 HA LYS 3 -8.909 1.291 -12.581 14 1HB LYS 3 1HB LYS 3 -11.659 2.555 -13.205 15 2HB LYS 3 2HB LYS 3 -10.341 3.410 -12.440 16 1HG LYS 3 1HG LYS 3 -8.881 3.118 -14.465 17 2HG LYS 3 2HG LYS 3 -10.137 2.171 -15.261 18 1HD LYS 3 1HD LYS 3 -11.731 4.132 -15.113 19 2HD LYS 3 2HD LYS 3 -10.491 5.125 -14.383 20 1HE LYS 3 1HE LYS 3 -10.325 3.853 -17.223 21 2HE LYS 3 2HE LYS 3 -10.910 5.479 -16.902 22 1HZ LYS 3 1HZ LYS 3 -8.683 6.055 -15.940 23 2HZ LYS 3 2HZ LYS 3 -8.124 4.542 -16.213 24 3HZ LYS 3 3HZ LYS 3 -8.491 5.520 -17.483 25 H VAL 4 H VAL 4 -9.057 -0.391 -10.956 26 HA VAL 4 HA VAL 4 -9.651 -1.503 -8.977 27 HB VAL 4 HB VAL 4 -10.164 -0.207 -6.938 28 1HG1 VAL 4 1HG1 VAL 4 -7.793 -0.651 -7.638 29 2HG1 VAL 4 2HG1 VAL 4 -7.735 0.935 -8.438 30 3HG1 VAL 4 3HG1 VAL 4 -7.949 0.832 -6.675 31 1HG2 VAL 4 1HG2 VAL 4 -11.398 1.827 -7.759 32 2HG2 VAL 4 2HG2 VAL 4 -10.019 2.233 -6.725 33 3HG2 VAL 4 3HG2 VAL 4 -9.898 2.438 -8.486 34 H LYS 5 H LYS 5 -11.232 -2.801 -9.614 35 HA LYS 5 HA LYS 5 -13.975 -2.304 -8.623 36 1HB LYS 5 1HB LYS 5 -13.608 -1.482 -11.326 37 2HB LYS 5 2HB LYS 5 -14.080 -3.117 -11.555 38 1HG LYS 5 1HG LYS 5 -16.100 -1.862 -11.668 39 2HG LYS 5 2HG LYS 5 -16.167 -2.715 -10.147 40 1HD LYS 5 1HD LYS 5 -16.988 -0.562 -9.666 41 2HD LYS 5 2HD LYS 5 -15.407 -0.540 -8.941 42 1HE LYS 5 1HE LYS 5 -16.083 0.704 -11.721 43 2HE LYS 5 2HE LYS 5 -16.187 1.578 -10.201 44 1HZ LYS 5 1HZ LYS 5 -13.641 0.702 -9.965 45 2HZ LYS 5 2HZ LYS 5 -13.694 0.696 -11.597 46 3HZ LYS 5 3HZ LYS 5 -13.960 2.085 -10.783 47 H GLY 6 H GLY 6 -13.222 -3.966 -7.323 48 1HA GLY 6 1HA GLY 6 -12.632 -6.703 -8.576 49 2HA GLY 6 2HA GLY 6 -11.357 -5.802 -7.778 50 H ILE 7 H ILE 7 -10.985 -7.235 -6.126 51 HA ILE 7 HA ILE 7 -13.293 -8.489 -4.636 52 HB ILE 7 HB ILE 7 -11.537 -9.891 -5.707 53 1HG1 ILE 7 1HG1 ILE 7 -10.999 -11.388 -3.756 54 2HG1 ILE 7 2HG1 ILE 7 -11.486 -10.145 -2.619 55 1HG2 ILE 7 1HG2 ILE 7 -9.461 -8.476 -5.381 56 2HG2 ILE 7 2HG2 ILE 7 -9.521 -8.751 -3.631 57 3HG2 ILE 7 3HG2 ILE 7 -9.223 -10.102 -4.749 58 1HD1 ILE 7 1HD1 ILE 7 -13.374 -11.473 -4.703 59 2HD1 ILE 7 2HD1 ILE 7 -13.252 -11.925 -2.987 60 3HD1 ILE 7 3HD1 ILE 7 -13.880 -10.331 -3.431 61 H THR 8 H THR 8 -14.009 -7.694 -2.861 62 HA THR 8 HA THR 8 -12.929 -5.395 -1.549 63 HB THR 8 HB THR 8 -15.154 -7.293 -0.528 64 HG1 THR 8 HG1 THR 8 -15.542 -5.011 -2.133 65 1HG2 THR 8 1HG2 THR 8 -14.808 -4.213 -0.191 66 2HG2 THR 8 2HG2 THR 8 -16.241 -5.152 0.304 67 3HG2 THR 8 3HG2 THR 8 -14.684 -5.422 1.108 68 H GLN 9 H GLN 9 -12.749 -8.770 -0.245 69 HA GLN 9 HA GLN 9 -10.896 -7.807 1.855 70 1HB GLN 9 1HB GLN 9 -12.035 -8.963 3.708 71 2HB GLN 9 2HB GLN 9 -13.076 -7.727 3.047 72 1HG GLN 9 1HG GLN 9 -14.477 -9.453 1.872 73 2HG GLN 9 2HG GLN 9 -13.409 -10.742 2.380 74 1HE2 GLN 9 2HE2 GLN 9 -13.379 -11.275 4.683 75 2HE2 GLN 9 1HE2 GLN 9 -14.851 -10.805 5.694 76 H GLY 10 H GLY 10 -8.906 -9.883 1.332 77 1HA GLY 10 1HA GLY 10 -10.059 -8.790 -1.254 78 2HA GLY 10 2HA GLY 10 -9.643 -7.638 -0.011 79 HA PRO 11 HA PRO 11 -5.345 -8.707 -1.804 80 1HB PRO 11 1HB PRO 11 -4.933 -10.765 -3.594 81 2HB PRO 11 2HB PRO 11 -5.065 -11.042 -1.853 82 1HG PRO 11 1HG PRO 11 -7.284 -11.356 -3.951 83 2HG PRO 11 2HG PRO 11 -6.771 -12.547 -2.732 84 1HD PRO 11 1HD PRO 11 -8.929 -10.854 -2.297 85 2HD PRO 11 2HD PRO 11 -7.866 -11.361 -0.956 86 H ASN 12 H ASN 12 -7.250 -7.008 -2.752 87 HA ASN 12 HA ASN 12 -6.732 -6.558 -5.744 88 1HB ASN 12 1HB ASN 12 -9.050 -6.219 -4.672 89 2HB ASN 12 2HB ASN 12 -8.409 -4.907 -3.718 90 1HD2 ASN 12 2HD2 ASN 12 -7.621 -3.028 -4.988 91 2HD2 ASN 12 1HD2 ASN 12 -8.419 -2.724 -6.625 92 H GLU 13 H GLU 13 -4.534 -6.602 -5.021 93 HA GLU 13 HA GLU 13 -3.385 -4.424 -3.388 94 1HB GLU 13 1HB GLU 13 -1.481 -5.971 -3.316 95 2HB GLU 13 2HB GLU 13 -2.932 -6.908 -3.186 96 1HG GLU 13 1HG GLU 13 -2.673 -7.616 -5.636 97 2HG GLU 13 2HG GLU 13 -1.212 -6.646 -5.759 98 HE2 GLU 13 HE2 GLU 13 -0.426 -10.142 -5.183 99 H SER 14 H SER 14 -3.542 -4.386 -6.751 100 HA SER 14 HA SER 14 -1.101 -2.828 -7.381 101 1HB SER 14 1HB SER 14 -2.697 -3.886 -9.084 102 2HB SER 14 2HB SER 14 -3.919 -2.675 -8.681 103 HG SER 14 HG SER 14 -2.066 -1.118 -9.166 104 HA PRO 15 HA PRO 15 -3.262 1.363 -6.204 105 1HB PRO 15 1HB PRO 15 -5.287 1.438 -4.305 106 2HB PRO 15 2HB PRO 15 -5.592 1.224 -6.039 107 1HG PRO 15 1HG PRO 15 -5.319 -1.013 -3.926 108 2HG PRO 15 2HG PRO 15 -6.668 -0.748 -5.004 109 1HD PRO 15 1HD PRO 15 -4.765 -2.518 -5.681 110 2HD PRO 15 2HD PRO 15 -5.356 -1.438 -6.971 111 H SER 16 H SER 16 -3.427 -0.836 -3.352 112 HA SER 16 HA SER 16 -0.877 -0.012 -2.351 113 1HB SER 16 1HB SER 16 -3.209 1.439 -0.912 114 2HB SER 16 2HB SER 16 -1.639 1.202 -0.143 115 HG SER 16 HG SER 16 -1.700 2.251 -2.760 116 H ALA 17 H ALA 17 -1.112 -2.319 -2.489 117 HA ALA 17 HA ALA 17 -0.861 -3.122 0.399 118 1HB ALA 17 1HB ALA 17 -3.159 -4.032 -0.155 119 2HB ALA 17 2HB ALA 17 -2.470 -5.012 -1.465 120 3HB ALA 17 3HB ALA 17 -2.007 -5.326 0.215 121 H PHE 18 H PHE 18 -0.294 -4.225 -3.021 122 HA PHE 18 HA PHE 18 2.255 -5.652 -2.374 123 1HB PHE 18 1HB PHE 18 0.772 -5.885 -4.523 124 2HB PHE 18 2HB PHE 18 1.361 -4.330 -5.037 125 HD1 PHE 18 HD1 PHE 18 2.234 -7.898 -4.452 126 HD2 PHE 18 HD2 PHE 18 3.778 -4.108 -5.774 127 HE1 PHE 18 HE1 PHE 18 4.221 -9.020 -5.378 128 HE2 PHE 18 HE2 PHE 18 5.755 -5.248 -6.698 129 HZ PHE 18 HZ PHE 18 5.983 -7.699 -6.498 130 H LEU 19 H LEU 19 1.491 -2.323 -3.297 131 HA LEU 19 HA LEU 19 4.088 -1.001 -3.118 132 1HB LEU 19 1HB LEU 19 1.245 -0.174 -2.200 133 2HB LEU 19 2HB LEU 19 2.561 0.919 -2.129 134 HG LEU 19 HG LEU 19 1.284 1.507 -3.997 135 1HD1 LEU 19 1HD1 LEU 19 3.776 1.734 -4.296 136 2HD1 LEU 19 2HD1 LEU 19 3.817 0.167 -5.142 137 3HD1 LEU 19 3HD1 LEU 19 2.924 1.535 -5.840 138 1HD2 LEU 19 1HD2 LEU 19 0.121 -0.658 -4.526 139 2HD2 LEU 19 2HD2 LEU 19 0.755 0.162 -5.957 140 3HD2 LEU 19 3HD2 LEU 19 1.604 -1.255 -5.319 141 H GLU 20 H GLU 20 1.903 -1.828 -0.307 142 HA GLU 20 HA GLU 20 3.906 -1.095 1.654 143 1HB GLU 20 1HB GLU 20 1.353 -2.863 1.779 144 2HB GLU 20 2HB GLU 20 2.323 -2.556 3.197 145 1HG GLU 20 1HG GLU 20 1.922 -0.091 3.063 146 2HG GLU 20 2HG GLU 20 1.032 -0.274 1.558 147 HE2 GLU 20 HE2 GLU 20 -1.858 -1.390 3.004 148 H ARG 21 H ARG 21 3.163 -4.385 0.294 149 HA ARG 21 HA ARG 21 5.186 -5.858 1.673 150 1HB ARG 21 1HB ARG 21 4.554 -6.071 -1.347 151 2HB ARG 21 2HB ARG 21 5.399 -7.275 -0.403 152 1HG ARG 21 1HG ARG 21 3.273 -7.629 1.001 153 2HG ARG 21 2HG ARG 21 2.445 -6.491 -0.036 154 1HD ARG 21 1HD ARG 21 3.376 -8.095 -2.034 155 2HD ARG 21 2HD ARG 21 3.506 -9.291 -0.774 156 HE ARG 21 HE ARG 21 1.014 -8.336 -2.101 157 1HH1 ARG 21 1HH1 ARG 21 2.061 -9.570 0.968 158 2HH1 ARG 21 2HH1 ARG 21 0.405 -10.273 1.319 159 1HH2 ARG 21 1HH2 ARG 21 -0.770 -9.129 -1.717 160 2HH2 ARG 21 2HH2 ARG 21 -1.144 -10.015 -0.158 161 H LEU 22 H LEU 22 5.674 -3.797 -1.263 162 HA LEU 22 HA LEU 22 8.565 -3.980 -1.346 163 1HB LEU 22 1HB LEU 22 6.629 -1.790 -2.342 164 2HB LEU 22 2HB LEU 22 8.331 -1.827 -2.735 165 HG LEU 22 HG LEU 22 6.334 -4.012 -3.581 166 1HD1 LEU 22 1HD1 LEU 22 5.857 -1.826 -4.694 167 2HD1 LEU 22 2HD1 LEU 22 7.558 -1.676 -5.200 168 3HD1 LEU 22 3HD1 LEU 22 6.533 -2.974 -5.862 169 1HD2 LEU 22 1HD2 LEU 22 9.289 -3.562 -4.406 170 2HD2 LEU 22 2HD2 LEU 22 8.658 -4.933 -3.462 171 3HD2 LEU 22 3HD2 LEU 22 8.181 -4.740 -5.155 172 H LYS 23 H LYS 23 6.378 -1.735 0.448 173 HA LYS 23 HA LYS 23 8.567 0.037 1.469 174 1HB LYS 23 1HB LYS 23 5.649 -0.528 2.300 175 2HB LYS 23 2HB LYS 23 6.636 0.428 3.340 176 1HG LYS 23 1HG LYS 23 6.588 1.312 0.407 177 2HG LYS 23 2HG LYS 23 5.113 1.468 1.318 178 1HD LYS 23 1HD LYS 23 6.307 3.572 1.444 179 2HD LYS 23 2HD LYS 23 6.151 2.867 3.045 180 1HE LYS 23 1HE LYS 23 8.582 2.049 2.918 181 2HE LYS 23 2HE LYS 23 8.739 2.769 1.313 182 1HZ LYS 23 1HZ LYS 23 7.819 4.437 3.642 183 2HZ LYS 23 2HZ LYS 23 9.421 4.222 3.413 184 3HZ LYS 23 3HZ LYS 23 8.506 4.979 2.254 185 H GLU 24 H GLU 24 7.115 -2.982 2.787 186 HA GLU 24 HA GLU 24 8.670 -3.040 5.244 187 1HB GLU 24 1HB GLU 24 7.409 -5.284 3.526 188 2HB GLU 24 2HB GLU 24 8.181 -5.603 5.060 189 1HG GLU 24 1HG GLU 24 5.699 -3.783 4.747 190 2HG GLU 24 2HG GLU 24 5.662 -5.480 5.180 191 HE2 GLU 24 HE2 GLU 24 6.514 -2.733 7.900 192 H ALA 25 H ALA 25 9.293 -4.534 2.021 193 HA ALA 25 HA ALA 25 11.960 -5.495 2.556 194 1HB ALA 25 1HB ALA 25 10.556 -6.155 0.551 195 2HB ALA 25 2HB ALA 25 10.705 -4.510 -0.116 196 3HB ALA 25 3HB ALA 25 12.139 -5.550 0.028 197 H TYR 26 H TYR 26 11.133 -2.297 0.921 198 HA TYR 26 HA TYR 26 13.743 -1.161 1.011 199 1HB TYR 26 1HB TYR 26 11.075 0.299 1.512 200 2HB TYR 26 2HB TYR 26 12.556 1.079 1.015 201 HD1 TYR 26 HD1 TYR 26 13.237 -1.155 -1.267 202 HD2 TYR 26 HD2 TYR 26 9.817 1.273 -0.296 203 HE1 TYR 26 HE1 TYR 26 12.470 -1.290 -3.587 204 HE2 TYR 26 HE2 TYR 26 9.064 1.120 -2.633 205 HH TYR 26 HH TYR 26 10.893 -0.720 -5.048 206 H ARG 27 H ARG 27 11.389 -1.194 3.712 207 HA ARG 27 HA ARG 27 13.037 0.346 5.605 208 1HB ARG 27 1HB ARG 27 10.413 -0.800 5.583 209 2HB ARG 27 2HB ARG 27 11.194 -1.825 6.730 210 1HG ARG 27 1HG ARG 27 11.444 1.259 6.986 211 2HG ARG 27 2HG ARG 27 9.918 0.501 7.310 212 1HD ARG 27 1HD ARG 27 11.059 0.896 9.390 213 2HD ARG 27 2HD ARG 27 10.837 -0.853 9.170 214 HE ARG 27 HE ARG 27 13.411 -0.509 8.105 215 1HH1 ARG 27 1HH1 ARG 27 12.093 0.488 11.163 216 2HH1 ARG 27 2HH1 ARG 27 13.702 0.238 12.002 217 1HH2 ARG 27 1HH2 ARG 27 15.136 -0.784 9.029 218 2HH2 ARG 27 2HH2 ARG 27 15.369 -0.473 10.817 219 H ARG 28 H ARG 28 13.415 -3.106 4.641 220 HA ARG 28 HA ARG 28 15.260 -3.902 6.724 221 1HB ARG 28 1HB ARG 28 14.144 -5.448 5.101 222 2HB ARG 28 2HB ARG 28 14.899 -4.635 3.744 223 1HG ARG 28 1HG ARG 28 15.895 -6.778 4.054 224 2HG ARG 28 2HG ARG 28 17.109 -5.559 4.259 225 1HD ARG 28 1HD ARG 28 15.691 -6.874 6.687 226 2HD ARG 28 2HD ARG 28 17.057 -7.647 5.855 227 HE ARG 28 HE ARG 28 17.718 -4.825 6.506 228 1HH1 ARG 28 1HH1 ARG 28 17.506 -7.942 8.049 229 2HH1 ARG 28 2HH1 ARG 28 18.661 -7.440 9.378 230 1HH2 ARG 28 1HH2 ARG 28 19.006 -4.304 7.978 231 2HH2 ARG 28 2HH2 ARG 28 19.474 -5.444 9.323 232 H TYR 29 H TYR 29 15.684 -1.929 3.830 233 HA TYR 29 HA TYR 29 18.736 -1.904 4.117 234 1HB TYR 29 1HB TYR 29 16.994 -0.845 1.796 235 2HB TYR 29 2HB TYR 29 18.714 -1.086 1.766 236 HD1 TYR 29 HD1 TYR 29 19.501 -3.683 2.340 237 HD2 TYR 29 HD2 TYR 29 15.607 -2.552 0.912 238 HE1 TYR 29 HE1 TYR 29 18.989 -6.035 1.818 239 HE2 TYR 29 HE2 TYR 29 15.109 -4.878 0.402 240 HH TYR 29 HH TYR 29 15.912 -6.983 0.334 241 H THR 30 H THR 30 16.004 0.420 4.016 242 HA THR 30 HA THR 30 17.887 2.634 4.997 243 HB THR 30 HB THR 30 15.389 2.960 3.245 244 HG1 THR 30 HG1 THR 30 17.499 2.203 2.378 245 1HG2 THR 30 1HG2 THR 30 17.391 5.106 4.225 246 2HG2 THR 30 2HG2 THR 30 16.084 5.360 3.042 247 3HG2 THR 30 3HG2 THR 30 15.680 4.970 4.722 248 HA PRO 31 HA PRO 31 15.152 2.135 8.688 249 1HB PRO 31 1HB PRO 31 15.646 5.180 8.946 250 2HB PRO 31 2HB PRO 31 15.696 3.960 10.232 251 1HG PRO 31 1HG PRO 31 18.034 4.816 9.167 252 2HG PRO 31 2HG PRO 31 17.819 3.070 9.417 253 1HD PRO 31 1HD PRO 31 17.566 4.624 6.780 254 2HD PRO 31 2HD PRO 31 18.330 3.033 7.098 255 H TYR 32 H TYR 32 14.364 4.878 6.617 256 HA TYR 32 HA TYR 32 11.367 4.590 7.238 257 1HB TYR 32 1HB TYR 32 11.127 6.685 5.949 258 2HB TYR 32 2HB TYR 32 12.218 6.859 7.276 259 HD1 TYR 32 HD1 TYR 32 12.064 6.621 3.524 260 HD2 TYR 32 HD2 TYR 32 14.524 7.602 6.914 261 HE1 TYR 32 HE1 TYR 32 13.733 7.626 2.029 262 HE2 TYR 32 HE2 TYR 32 16.186 8.614 5.401 263 HH TYR 32 HH TYR 32 15.715 8.633 1.886 Start of MODEL 5 1 1H CYS 1 1H CYS 1 -5.926 9.139 2.020 2 2H CYS 1 2H CYS 1 -7.378 8.820 2.713 3 HA CYS 1 HA CYS 1 -7.608 8.627 0.330 4 1HB CYS 1 1HB CYS 1 -9.587 10.103 0.155 5 2HB CYS 1 2HB CYS 1 -9.529 9.352 1.747 6 HG CYS 1 HG CYS 1 -8.570 11.424 3.037 7 H ALA 2 H ALA 2 -5.498 9.071 -0.550 8 HA ALA 2 HA ALA 2 -5.308 11.742 -2.032 9 1HB ALA 2 1HB ALA 2 -3.950 11.923 0.083 10 2HB ALA 2 2HB ALA 2 -3.032 10.457 -0.339 11 3HB ALA 2 3HB ALA 2 -2.883 11.930 -1.331 12 H LYS 3 H LYS 3 -4.400 11.682 -3.944 13 HA LYS 3 HA LYS 3 -3.269 10.919 -5.960 14 1HB LYS 3 1HB LYS 3 -3.471 8.017 -4.966 15 2HB LYS 3 2HB LYS 3 -2.814 8.518 -6.499 16 1HG LYS 3 1HG LYS 3 -0.907 9.684 -5.481 17 2HG LYS 3 2HG LYS 3 -1.560 9.526 -3.870 18 1HD LYS 3 1HD LYS 3 -0.471 7.269 -5.652 19 2HD LYS 3 2HD LYS 3 0.266 7.917 -4.210 20 1HE LYS 3 1HE LYS 3 -2.238 6.119 -4.391 21 2HE LYS 3 2HE LYS 3 -0.673 5.705 -3.714 22 1HZ LYS 3 1HZ LYS 3 -1.109 7.509 -1.956 23 2HZ LYS 3 2HZ LYS 3 -2.621 7.716 -2.572 24 3HZ LYS 3 3HZ LYS 3 -2.211 6.282 -1.874 25 H VAL 4 H VAL 4 -4.790 11.302 -7.444 26 HA VAL 4 HA VAL 4 -7.580 10.015 -7.203 27 HB VAL 4 HB VAL 4 -8.381 12.012 -8.459 28 1HG1 VAL 4 1HG1 VAL 4 -8.628 11.908 -5.988 29 2HG1 VAL 4 2HG1 VAL 4 -7.068 12.726 -5.769 30 3HG1 VAL 4 3HG1 VAL 4 -8.428 13.579 -6.538 31 1HG2 VAL 4 1HG2 VAL 4 -6.275 12.893 -9.541 32 2HG2 VAL 4 2HG2 VAL 4 -7.139 14.134 -8.620 33 3HG2 VAL 4 3HG2 VAL 4 -5.671 13.397 -7.945 34 H LYS 5 H LYS 5 -6.445 8.232 -8.225 35 HA LYS 5 HA LYS 5 -7.449 8.193 -11.069 36 1HB LYS 5 1HB LYS 5 -4.679 7.002 -10.380 37 2HB LYS 5 2HB LYS 5 -5.615 6.550 -11.791 38 1HG LYS 5 1HG LYS 5 -5.593 8.968 -12.602 39 2HG LYS 5 2HG LYS 5 -4.608 9.409 -11.211 40 1HD LYS 5 1HD LYS 5 -2.810 7.766 -11.966 41 2HD LYS 5 2HD LYS 5 -3.786 7.360 -13.380 42 1HE LYS 5 1HE LYS 5 -3.689 9.812 -14.141 43 2HE LYS 5 2HE LYS 5 -2.706 10.206 -12.728 44 1HZ LYS 5 1HZ LYS 5 -1.000 8.558 -13.541 45 2HZ LYS 5 2HZ LYS 5 -1.908 8.207 -14.858 46 3HZ LYS 5 3HZ LYS 5 -1.254 9.707 -14.688 47 H GLY 6 H GLY 6 -9.071 7.575 -9.540 48 1HA GLY 6 1HA GLY 6 -9.610 4.977 -8.380 49 2HA GLY 6 2HA GLY 6 -8.325 5.739 -7.429 50 H ILE 7 H ILE 7 -11.027 5.112 -6.593 51 HA ILE 7 HA ILE 7 -12.372 7.757 -6.100 52 HB ILE 7 HB ILE 7 -13.630 5.559 -6.309 53 1HG1 ILE 7 1HG1 ILE 7 -14.147 6.937 -3.587 54 2HG1 ILE 7 2HG1 ILE 7 -14.485 7.717 -5.122 55 1HG2 ILE 7 1HG2 ILE 7 -12.100 4.065 -4.873 56 2HG2 ILE 7 2HG2 ILE 7 -12.633 4.931 -3.418 57 3HG2 ILE 7 3HG2 ILE 7 -13.790 3.978 -4.372 58 1HD1 ILE 7 1HD1 ILE 7 -16.094 5.865 -5.763 59 2HD1 ILE 7 2HD1 ILE 7 -15.832 5.111 -4.169 60 3HD1 ILE 7 3HD1 ILE 7 -16.563 6.725 -4.281 61 H THR 8 H THR 8 -12.171 9.070 -4.395 62 HA THR 8 HA THR 8 -10.439 8.305 -1.974 63 HB THR 8 HB THR 8 -9.353 10.629 -2.086 64 HG1 THR 8 HG1 THR 8 -10.118 10.436 -4.799 65 1HG2 THR 8 1HG2 THR 8 -8.018 8.593 -2.772 66 2HG2 THR 8 2HG2 THR 8 -8.615 8.743 -4.442 67 3HG2 THR 8 3HG2 THR 8 -7.585 10.012 -3.745 68 H GLN 9 H GLN 9 -12.762 8.056 -1.344 69 HA GLN 9 HA GLN 9 -13.350 10.172 0.476 70 1HB GLN 9 1HB GLN 9 -15.621 9.514 -1.531 71 2HB GLN 9 2HB GLN 9 -15.911 10.220 0.045 72 1HG GLN 9 1HG GLN 9 -14.493 12.241 -0.575 73 2HG GLN 9 2HG GLN 9 -14.261 11.560 -2.179 74 1HE2 GLN 9 2HE2 GLN 9 -15.326 13.214 -3.268 75 2HE2 GLN 9 1HE2 GLN 9 -17.124 13.545 -3.015 76 H GLY 10 H GLY 10 -12.459 8.341 1.497 77 1HA GLY 10 1HA GLY 10 -12.627 5.838 2.262 78 2HA GLY 10 2HA GLY 10 -13.806 5.629 0.988 79 HA PRO 11 HA PRO 11 -9.493 6.197 -1.239 80 1HB PRO 11 1HB PRO 11 -7.434 4.614 -0.077 81 2HB PRO 11 2HB PRO 11 -7.689 6.338 0.194 82 1HG PRO 11 1HG PRO 11 -8.711 4.010 1.909 83 2HG PRO 11 2HG PRO 11 -7.847 5.467 2.461 84 1HD PRO 11 1HD PRO 11 -10.534 5.409 2.680 85 2HD PRO 11 2HD PRO 11 -9.778 6.886 1.968 86 H ASN 12 H ASN 12 -9.249 5.087 -2.845 87 HA ASN 12 HA ASN 12 -10.446 2.687 -3.630 88 1HB ASN 12 1HB ASN 12 -9.199 4.603 -5.025 89 2HB ASN 12 2HB ASN 12 -7.771 3.611 -4.935 90 1HD2 ASN 12 2HD2 ASN 12 -7.875 1.564 -6.173 91 2HD2 ASN 12 1HD2 ASN 12 -9.171 1.405 -7.472 92 H GLU 13 H GLU 13 -7.209 2.707 -2.287 93 HA GLU 13 HA GLU 13 -5.778 1.008 -1.392 94 1HB GLU 13 1HB GLU 13 -8.629 -0.168 -1.029 95 2HB GLU 13 2HB GLU 13 -7.223 -0.877 -0.269 96 1HG GLU 13 1HG GLU 13 -6.717 1.198 1.001 97 2HG GLU 13 2HG GLU 13 -8.039 2.051 0.218 98 HE2 GLU 13 HE2 GLU 13 -9.260 1.167 3.382 99 H SER 14 H SER 14 -7.497 -0.308 -4.139 100 HA SER 14 HA SER 14 -6.579 -2.939 -4.288 101 1HB SER 14 1HB SER 14 -8.048 -1.847 -5.971 102 2HB SER 14 2HB SER 14 -6.727 -0.872 -6.602 103 HG SER 14 HG SER 14 -6.762 -3.731 -6.603 104 HA PRO 15 HA PRO 15 -1.986 -2.448 -5.632 105 1HB PRO 15 1HB PRO 15 -0.726 -0.012 -5.916 106 2HB PRO 15 2HB PRO 15 -1.723 -0.719 -7.194 107 1HG PRO 15 1HG PRO 15 -2.580 1.388 -5.130 108 2HG PRO 15 2HG PRO 15 -2.757 1.470 -6.899 109 1HD PRO 15 1HD PRO 15 -4.826 0.629 -5.272 110 2HD PRO 15 2HD PRO 15 -4.583 -0.089 -6.895 111 H SER 16 H SER 16 -3.278 -0.691 -2.957 112 HA SER 16 HA SER 16 -0.985 0.105 -1.541 113 1HB SER 16 1HB SER 16 -2.430 0.232 0.467 114 2HB SER 16 2HB SER 16 -3.327 0.771 -0.939 115 HG SER 16 HG SER 16 -4.404 -1.253 -0.990 116 H ALA 17 H ALA 17 -2.478 -3.149 -1.054 117 HA ALA 17 HA ALA 17 -0.446 -4.103 0.879 118 1HB ALA 17 1HB ALA 17 -2.707 -5.188 0.518 119 2HB ALA 17 2HB ALA 17 -2.234 -5.678 -1.131 120 3HB ALA 17 3HB ALA 17 -1.408 -6.369 0.283 121 H PHE 18 H PHE 18 -0.406 -4.182 -2.678 122 HA PHE 18 HA PHE 18 2.223 -5.624 -2.912 123 1HB PHE 18 1HB PHE 18 0.370 -5.453 -4.735 124 2HB PHE 18 2HB PHE 18 0.717 -3.758 -4.898 125 HD1 PHE 18 HD1 PHE 18 2.957 -3.023 -5.914 126 HD2 PHE 18 HD2 PHE 18 1.776 -7.156 -5.766 127 HE1 PHE 18 HE1 PHE 18 4.565 -3.555 -7.702 128 HE2 PHE 18 HE2 PHE 18 3.381 -7.672 -7.565 129 HZ PHE 18 HZ PHE 18 4.767 -5.872 -8.543 130 H LEU 19 H LEU 19 1.263 -2.199 -2.945 131 HA LEU 19 HA LEU 19 3.962 -1.013 -3.020 132 1HB LEU 19 1HB LEU 19 1.496 0.055 -3.239 133 2HB LEU 19 2HB LEU 19 1.501 0.103 -1.513 134 HG LEU 19 HG LEU 19 3.623 1.547 -1.593 135 1HD1 LEU 19 1HD1 LEU 19 2.989 1.659 -4.630 136 2HD1 LEU 19 2HD1 LEU 19 4.134 2.726 -3.785 137 3HD1 LEU 19 3HD1 LEU 19 4.465 0.993 -3.901 138 1HD2 LEU 19 1HD2 LEU 19 1.335 2.533 -1.271 139 2HD2 LEU 19 2HD2 LEU 19 2.345 3.625 -2.245 140 3HD2 LEU 19 3HD2 LEU 19 1.102 2.623 -3.033 141 H GLU 20 H GLU 20 1.928 -1.697 -0.106 142 HA GLU 20 HA GLU 20 4.046 -1.251 1.773 143 1HB GLU 20 1HB GLU 20 1.502 -3.027 1.916 144 2HB GLU 20 2HB GLU 20 2.532 -2.845 3.309 145 1HG GLU 20 1HG GLU 20 1.140 -0.452 1.928 146 2HG GLU 20 2HG GLU 20 0.487 -1.330 3.291 147 HE2 GLU 20 HE2 GLU 20 2.388 0.242 5.629 148 H ARG 21 H ARG 21 3.235 -4.480 0.277 149 HA ARG 21 HA ARG 21 5.324 -6.031 1.437 150 1HB ARG 21 1HB ARG 21 3.501 -6.763 -0.196 151 2HB ARG 21 2HB ARG 21 4.301 -5.869 -1.470 152 1HG ARG 21 1HG ARG 21 6.371 -7.492 -1.050 153 2HG ARG 21 2HG ARG 21 5.268 -8.424 -0.060 154 1HD ARG 21 1HD ARG 21 5.232 -9.449 -2.282 155 2HD ARG 21 2HD ARG 21 3.693 -8.666 -2.054 156 HE ARG 21 HE ARG 21 4.190 -7.083 -3.820 157 1HH1 ARG 21 1HH1 ARG 21 7.129 -8.705 -2.962 158 2HH1 ARG 21 2HH1 ARG 21 8.035 -7.986 -4.382 159 1HH2 ARG 21 1HH2 ARG 21 5.222 -6.283 -5.417 160 2HH2 ARG 21 2HH2 ARG 21 6.979 -6.674 -5.686 161 H LEU 22 H LEU 22 5.678 -3.662 -1.277 162 HA LEU 22 HA LEU 22 8.570 -3.937 -1.520 163 1HB LEU 22 1HB LEU 22 6.629 -1.694 -2.367 164 2HB LEU 22 2HB LEU 22 8.314 -1.713 -2.800 165 HG LEU 22 HG LEU 22 6.316 -3.891 -3.665 166 1HD1 LEU 22 1HD1 LEU 22 5.740 -1.676 -4.669 167 2HD1 LEU 22 2HD1 LEU 22 7.413 -1.462 -5.239 168 3HD1 LEU 22 3HD1 LEU 22 6.392 -2.756 -5.912 169 1HD2 LEU 22 1HD2 LEU 22 9.229 -3.321 -4.569 170 2HD2 LEU 22 2HD2 LEU 22 8.664 -4.761 -3.692 171 3HD2 LEU 22 3HD2 LEU 22 8.137 -4.476 -5.363 172 H LYS 23 H LYS 23 6.484 -1.606 0.366 173 HA LYS 23 HA LYS 23 8.832 0.025 1.298 174 1HB LYS 23 1HB LYS 23 5.922 -0.244 2.315 175 2HB LYS 23 2HB LYS 23 7.076 0.844 3.042 176 1HG LYS 23 1HG LYS 23 7.346 2.167 0.992 177 2HG LYS 23 2HG LYS 23 6.368 1.047 0.051 178 1HD LYS 23 1HD LYS 23 4.347 1.525 1.368 179 2HD LYS 23 2HD LYS 23 5.200 2.537 2.505 180 1HE LYS 23 1HE LYS 23 4.946 3.176 -0.533 181 2HE LYS 23 2HE LYS 23 3.780 3.719 0.668 182 1HZ LYS 23 1HZ LYS 23 5.618 4.920 1.848 183 2HZ LYS 23 2HZ LYS 23 6.717 4.414 0.748 184 3HZ LYS 23 3HZ LYS 23 5.527 5.455 0.294 185 H GLU 24 H GLU 24 7.065 -2.744 2.781 186 HA GLU 24 HA GLU 24 8.582 -2.836 5.258 187 1HB GLU 24 1HB GLU 24 7.048 -4.983 3.630 188 2HB GLU 24 2HB GLU 24 7.736 -5.317 5.208 189 1HG GLU 24 1HG GLU 24 6.261 -3.674 6.336 190 2HG GLU 24 2HG GLU 24 5.618 -3.109 4.800 191 HE2 GLU 24 HE2 GLU 24 4.235 -6.435 6.449 192 H ALA 25 H ALA 25 9.253 -4.269 2.034 193 HA ALA 25 HA ALA 25 11.805 -5.490 2.823 194 1HB ALA 25 1HB ALA 25 10.490 -6.220 0.784 195 2HB ALA 25 2HB ALA 25 10.717 -4.620 0.047 196 3HB ALA 25 3HB ALA 25 12.114 -5.682 0.320 197 H TYR 26 H TYR 26 11.101 -2.367 1.084 198 HA TYR 26 HA TYR 26 13.798 -1.454 1.031 199 1HB TYR 26 1HB TYR 26 11.192 0.222 1.151 200 2HB TYR 26 2HB TYR 26 12.727 0.829 0.592 201 HD1 TYR 26 HD1 TYR 26 12.819 -2.239 -1.107 202 HD2 TYR 26 HD2 TYR 26 10.535 1.409 -0.970 203 HE1 TYR 26 HE1 TYR 26 12.145 -2.566 -3.439 204 HE2 TYR 26 HE2 TYR 26 9.862 1.055 -3.309 205 HH TYR 26 HH TYR 26 11.017 -1.718 -5.181 206 H ARG 27 H ARG 27 11.605 -1.021 3.816 207 HA ARG 27 HA ARG 27 13.516 0.815 5.251 208 1HB ARG 27 1HB ARG 27 10.982 0.499 5.698 209 2HB ARG 27 2HB ARG 27 11.333 -1.026 6.473 210 1HG ARG 27 1HG ARG 27 12.808 1.545 7.359 211 2HG ARG 27 2HG ARG 27 11.120 1.368 7.783 212 1HD ARG 27 1HD ARG 27 11.486 -0.650 9.106 213 2HD ARG 27 2HD ARG 27 13.169 -0.802 8.566 214 HE ARG 27 HE ARG 27 13.280 1.761 9.622 215 1HH1 ARG 27 1HH1 ARG 27 12.332 -1.291 10.994 216 2HH1 ARG 27 2HH1 ARG 27 12.984 -0.807 12.636 217 1HH2 ARG 27 1HH2 ARG 27 13.876 2.298 11.432 218 2HH2 ARG 27 2HH2 ARG 27 13.810 1.174 12.871 219 H ARG 28 H ARG 28 15.300 -0.427 4.458 220 HA ARG 28 HA ARG 28 16.564 -2.198 6.403 221 1HB ARG 28 1HB ARG 28 14.970 -3.589 4.558 222 2HB ARG 28 2HB ARG 28 16.367 -3.423 3.568 223 1HG ARG 28 1HG ARG 28 16.857 -5.478 4.571 224 2HG ARG 28 2HG ARG 28 17.697 -4.435 5.687 225 1HD ARG 28 1HD ARG 28 16.496 -5.844 7.146 226 2HD ARG 28 2HD ARG 28 15.469 -4.434 7.152 227 HE ARG 28 HE ARG 28 14.954 -7.101 5.704 228 1HH1 ARG 28 1HH1 ARG 28 13.608 -3.918 6.474 229 2HH1 ARG 28 2HH1 ARG 28 11.980 -4.484 5.857 230 1HH2 ARG 28 1HH2 ARG 28 13.022 -7.620 5.138 231 2HH2 ARG 28 2HH2 ARG 28 11.666 -6.399 5.281 232 H TYR 29 H TYR 29 16.795 -1.149 2.935 233 HA TYR 29 HA TYR 29 19.691 -0.297 3.304 234 1HB TYR 29 1HB TYR 29 19.591 0.401 1.005 235 2HB TYR 29 2HB TYR 29 18.872 -1.176 1.125 236 HD1 TYR 29 HD1 TYR 29 18.018 2.458 0.636 237 HD2 TYR 29 HD2 TYR 29 16.697 -1.615 0.232 238 HE1 TYR 29 HE1 TYR 29 16.043 3.211 -0.631 239 HE2 TYR 29 HE2 TYR 29 14.815 -0.866 -1.120 240 HH TYR 29 HH TYR 29 13.713 0.882 -1.978 241 H THR 30 H THR 30 16.525 1.249 3.662 242 HA THR 30 HA THR 30 17.923 3.893 4.348 243 HB THR 30 HB THR 30 14.963 3.602 3.664 244 HG1 THR 30 HG1 THR 30 16.546 3.261 1.938 245 1HG2 THR 30 1HG2 THR 30 16.761 6.121 3.873 246 2HG2 THR 30 2HG2 THR 30 15.049 6.103 3.400 247 3HG2 THR 30 3HG2 THR 30 15.503 5.657 5.055 248 HA PRO 31 HA PRO 31 16.676 2.403 8.565 249 1HB PRO 31 1HB PRO 31 16.971 5.409 9.209 250 2HB PRO 31 2HB PRO 31 17.593 4.024 10.129 251 1HG PRO 31 1HG PRO 31 19.291 5.420 8.534 252 2HG PRO 31 2HG PRO 31 19.367 3.642 8.512 253 1HD PRO 31 1HD PRO 31 18.012 5.477 6.447 254 2HD PRO 31 2HD PRO 31 19.032 4.024 6.196 255 H TYR 32 H TYR 32 15.011 5.212 7.242 256 HA TYR 32 HA TYR 32 12.378 4.017 8.150 257 1HB TYR 32 1HB TYR 32 13.135 6.944 8.827 258 2HB TYR 32 2HB TYR 32 11.487 6.393 8.756 259 HD1 TYR 32 HD1 TYR 32 10.684 4.501 10.323 260 HD2 TYR 32 HD2 TYR 32 14.466 6.478 10.855 261 HE1 TYR 32 HE1 TYR 32 10.797 3.679 12.643 262 HE2 TYR 32 HE2 TYR 32 14.563 5.654 13.170 263 HH TYR 32 HH TYR 32 13.453 4.578 14.799 Start of MODEL 6 1 1H CYS 1 1H CYS 1 -23.232 1.344 -7.360 2 2H CYS 1 2H CYS 1 -21.758 0.870 -7.871 3 HA CYS 1 HA CYS 1 -23.386 -0.471 -5.786 4 1HB CYS 1 1HB CYS 1 -24.279 -0.652 -8.127 5 2HB CYS 1 2HB CYS 1 -22.718 -1.270 -8.700 6 HG CYS 1 HG CYS 1 -24.404 -3.237 -8.500 7 H ALA 2 H ALA 2 -21.893 -1.046 -4.281 8 HA ALA 2 HA ALA 2 -19.138 -2.119 -5.055 9 1HB ALA 2 1HB ALA 2 -19.428 -0.166 -3.475 10 2HB ALA 2 2HB ALA 2 -20.370 -1.196 -2.359 11 3HB ALA 2 3HB ALA 2 -18.660 -1.540 -2.670 12 H LYS 3 H LYS 3 -21.647 -3.948 -5.128 13 HA LYS 3 HA LYS 3 -21.418 -5.868 -3.048 14 1HB LYS 3 1HB LYS 3 -22.484 -6.195 -5.926 15 2HB LYS 3 2HB LYS 3 -22.660 -7.423 -4.692 16 1HG LYS 3 1HG LYS 3 -23.958 -5.814 -3.216 17 2HG LYS 3 2HG LYS 3 -23.853 -4.584 -4.475 18 1HD LYS 3 1HD LYS 3 -25.047 -6.132 -6.096 19 2HD LYS 3 2HD LYS 3 -25.136 -7.376 -4.848 20 1HE LYS 3 1HE LYS 3 -26.525 -5.801 -3.379 21 2HE LYS 3 2HE LYS 3 -26.454 -4.564 -4.637 22 1HZ LYS 3 1HZ LYS 3 -27.624 -7.326 -5.049 23 2HZ LYS 3 2HZ LYS 3 -28.524 -5.967 -4.846 24 3HZ LYS 3 3HZ LYS 3 -27.594 -6.153 -6.189 25 H VAL 4 H VAL 4 -19.474 -6.663 -2.621 26 HA VAL 4 HA VAL 4 -17.278 -7.549 -2.751 27 HB VAL 4 HB VAL 4 -16.971 -9.740 -3.858 28 1HG1 VAL 4 1HG1 VAL 4 -17.919 -9.665 -1.550 29 2HG1 VAL 4 2HG1 VAL 4 -19.568 -9.719 -2.217 30 3HG1 VAL 4 3HG1 VAL 4 -18.465 -11.094 -2.447 31 1HG2 VAL 4 1HG2 VAL 4 -18.451 -9.566 -5.890 32 2HG2 VAL 4 2HG2 VAL 4 -18.707 -11.061 -4.965 33 3HG2 VAL 4 3HG2 VAL 4 -19.882 -9.729 -4.851 34 H LYS 5 H LYS 5 -17.413 -5.334 -4.156 35 HA LYS 5 HA LYS 5 -15.089 -5.520 -5.982 36 1HB LYS 5 1HB LYS 5 -16.130 -4.608 -8.034 37 2HB LYS 5 2HB LYS 5 -16.641 -6.232 -7.709 38 1HG LYS 5 1HG LYS 5 -18.875 -5.714 -7.399 39 2HG LYS 5 2HG LYS 5 -18.594 -4.185 -6.642 40 1HD LYS 5 1HD LYS 5 -18.550 -4.786 -9.651 41 2HD LYS 5 2HD LYS 5 -19.751 -3.876 -8.768 42 1HE LYS 5 1HE LYS 5 -16.888 -2.978 -9.483 43 2HE LYS 5 2HE LYS 5 -18.396 -2.325 -10.087 44 1HZ LYS 5 1HZ LYS 5 -18.914 -1.514 -7.761 45 2HZ LYS 5 2HZ LYS 5 -17.508 -2.148 -7.203 46 3HZ LYS 5 3HZ LYS 5 -17.418 -0.900 -8.260 47 H GLY 6 H GLY 6 -14.545 -4.201 -4.166 48 1HA GLY 6 1HA GLY 6 -16.325 -2.169 -3.176 49 2HA GLY 6 2HA GLY 6 -14.721 -2.446 -2.560 50 H ILE 7 H ILE 7 -12.946 -1.168 -3.524 51 HA ILE 7 HA ILE 7 -13.913 1.630 -4.292 52 HB ILE 7 HB ILE 7 -11.070 0.711 -3.530 53 1HG1 ILE 7 1HG1 ILE 7 -12.988 2.312 -1.701 54 2HG1 ILE 7 2HG1 ILE 7 -12.900 0.573 -1.616 55 1HG2 ILE 7 1HG2 ILE 7 -11.138 2.871 -4.891 56 2HG2 ILE 7 2HG2 ILE 7 -12.330 3.562 -3.769 57 3HG2 ILE 7 3HG2 ILE 7 -10.673 3.229 -3.229 58 1HD1 ILE 7 1HD1 ILE 7 -10.437 0.636 -1.084 59 2HD1 ILE 7 2HD1 ILE 7 -10.481 2.416 -1.097 60 3HD1 ILE 7 3HD1 ILE 7 -11.421 1.513 0.108 61 H THR 8 H THR 8 -14.547 0.981 -6.398 62 HA THR 8 HA THR 8 -12.321 0.352 -8.432 63 HB THR 8 HB THR 8 -14.076 -0.557 -9.873 64 HG1 THR 8 HG1 THR 8 -15.679 0.894 -8.997 65 1HG2 THR 8 1HG2 THR 8 -13.098 -2.134 -8.129 66 2HG2 THR 8 2HG2 THR 8 -14.433 -1.724 -7.027 67 3HG2 THR 8 3HG2 THR 8 -14.766 -2.560 -8.562 68 H GLN 9 H GLN 9 -11.625 2.498 -8.756 69 HA GLN 9 HA GLN 9 -12.768 3.540 -11.109 70 1HB GLN 9 1HB GLN 9 -14.243 4.879 -9.458 71 2HB GLN 9 2HB GLN 9 -12.787 5.605 -8.795 72 1HG GLN 9 1HG GLN 9 -12.294 6.564 -11.177 73 2HG GLN 9 2HG GLN 9 -13.821 5.883 -11.707 74 1HE2 GLN 9 2HE2 GLN 9 -12.388 8.294 -9.562 75 2HE2 GLN 9 1HE2 GLN 9 -13.938 9.293 -9.473 76 H GLY 10 H GLY 10 -10.709 2.467 -11.256 77 1HA GLY 10 1HA GLY 10 -8.154 2.434 -11.023 78 2HA GLY 10 2HA GLY 10 -8.291 3.739 -9.859 79 HA PRO 11 HA PRO 11 -9.719 -0.524 -7.616 80 1HB PRO 11 1HB PRO 11 -7.444 -2.067 -8.999 81 2HB PRO 11 2HB PRO 11 -8.941 -2.703 -8.290 82 1HG PRO 11 1HG PRO 11 -8.822 -2.338 -10.973 83 2HG PRO 11 2HG PRO 11 -10.283 -1.792 -10.116 84 1HD PRO 11 1HD PRO 11 -7.951 -0.077 -11.127 85 2HD PRO 11 2HD PRO 11 -9.716 0.269 -11.101 86 H ASN 12 H ASN 12 -9.005 0.646 -6.026 87 HA ASN 12 HA ASN 12 -6.353 1.371 -5.253 88 1HB ASN 12 1HB ASN 12 -8.637 2.308 -4.444 89 2HB ASN 12 2HB ASN 12 -8.760 0.953 -3.341 90 1HD2 ASN 12 2HD2 ASN 12 -6.879 3.883 -4.051 91 2HD2 ASN 12 1HD2 ASN 12 -6.306 4.027 -2.305 92 H GLU 13 H GLU 13 -7.889 -1.614 -4.126 93 HA GLU 13 HA GLU 13 -5.891 -2.043 -1.967 94 1HB GLU 13 1HB GLU 13 -7.941 -4.054 -3.143 95 2HB GLU 13 2HB GLU 13 -7.074 -4.250 -1.636 96 1HG GLU 13 1HG GLU 13 -9.283 -2.182 -2.202 97 2HG GLU 13 2HG GLU 13 -9.363 -3.577 -1.144 98 HE2 GLU 13 HE2 GLU 13 -7.812 -0.121 0.085 99 H SER 14 H SER 14 -6.082 -3.549 -5.168 100 HA SER 14 HA SER 14 -3.837 -5.469 -4.806 101 1HB SER 14 1HB SER 14 -5.494 -5.585 -6.698 102 2HB SER 14 2HB SER 14 -4.893 -4.083 -7.381 103 HG SER 14 HG SER 14 -2.783 -5.170 -7.487 104 HA PRO 15 HA PRO 15 -0.590 -2.069 -6.099 105 1HB PRO 15 1HB PRO 15 -1.296 0.627 -6.154 106 2HB PRO 15 2HB PRO 15 -1.382 -0.448 -7.559 107 1HG PRO 15 1HG PRO 15 -3.671 0.343 -5.685 108 2HG PRO 15 2HG PRO 15 -3.670 0.350 -7.460 109 1HD PRO 15 1HD PRO 15 -4.741 -1.727 -6.032 110 2HD PRO 15 2HD PRO 15 -3.904 -2.031 -7.580 111 H SER 16 H SER 16 -2.991 -0.697 -3.616 112 HA SER 16 HA SER 16 -0.838 0.270 -1.937 113 1HB SER 16 1HB SER 16 -2.675 0.548 -0.212 114 2HB SER 16 2HB SER 16 -3.092 1.231 -1.772 115 HG SER 16 HG SER 16 -4.532 -0.352 -2.138 116 H ALA 17 H ALA 17 -2.500 -2.932 -1.818 117 HA ALA 17 HA ALA 17 -0.860 -3.957 0.463 118 1HB ALA 17 1HB ALA 17 -3.026 -5.015 -0.303 119 2HB ALA 17 2HB ALA 17 -2.292 -5.433 -1.873 120 3HB ALA 17 3HB ALA 17 -1.695 -6.185 -0.374 121 H PHE 18 H PHE 18 -0.312 -4.097 -3.126 122 HA PHE 18 HA PHE 18 2.302 -5.502 -2.863 123 1HB PHE 18 1HB PHE 18 0.683 -5.317 -4.955 124 2HB PHE 18 2HB PHE 18 1.333 -3.723 -5.211 125 HD1 PHE 18 HD1 PHE 18 2.075 -7.378 -5.185 126 HD2 PHE 18 HD2 PHE 18 3.695 -3.497 -6.087 127 HE1 PHE 18 HE1 PHE 18 3.939 -8.431 -6.401 128 HE2 PHE 18 HE2 PHE 18 5.551 -4.566 -7.305 129 HZ PHE 18 HZ PHE 18 5.681 -7.026 -7.461 130 H LEU 19 H LEU 19 1.528 -2.027 -3.161 131 HA LEU 19 HA LEU 19 4.278 -0.963 -2.850 132 1HB LEU 19 1HB LEU 19 1.415 0.072 -2.416 133 2HB LEU 19 2HB LEU 19 2.635 0.899 -1.541 134 HG LEU 19 HG LEU 19 3.935 1.388 -3.631 135 1HD1 LEU 19 1HD1 LEU 19 3.097 -0.466 -5.147 136 2HD1 LEU 19 2HD1 LEU 19 1.479 0.270 -5.155 137 3HD1 LEU 19 3HD1 LEU 19 2.858 1.132 -5.875 138 1HD2 LEU 19 1HD2 LEU 19 2.299 3.037 -2.665 139 2HD2 LEU 19 2HD2 LEU 19 2.349 3.161 -4.432 140 3HD2 LEU 19 3HD2 LEU 19 0.986 2.333 -3.641 141 H GLU 20 H GLU 20 1.935 -1.937 -0.227 142 HA GLU 20 HA GLU 20 3.907 -1.439 1.859 143 1HB GLU 20 1HB GLU 20 1.166 -2.871 1.635 144 2HB GLU 20 2HB GLU 20 2.066 -3.072 3.094 145 1HG GLU 20 1HG GLU 20 0.236 -1.212 3.017 146 2HG GLU 20 2HG GLU 20 1.711 -0.978 3.909 147 HE2 GLU 20 HE2 GLU 20 0.413 -0.373 0.759 148 H ARG 21 H ARG 21 3.098 -4.522 0.149 149 HA ARG 21 HA ARG 21 5.086 -6.208 1.347 150 1HB ARG 21 1HB ARG 21 3.319 -6.837 -0.354 151 2HB ARG 21 2HB ARG 21 4.149 -5.890 -1.576 152 1HG ARG 21 1HG ARG 21 6.170 -7.482 -1.343 153 2HG ARG 21 2HG ARG 21 5.202 -8.470 -0.256 154 1HD ARG 21 1HD ARG 21 3.475 -8.832 -2.039 155 2HD ARG 21 2HD ARG 21 4.263 -7.724 -3.135 156 HE ARG 21 HE ARG 21 5.125 -10.539 -2.489 157 1HH1 ARG 21 1HH1 ARG 21 6.214 -7.544 -3.883 158 2HH1 ARG 21 2HH1 ARG 21 7.527 -8.383 -4.845 159 1HH2 ARG 21 1HH2 ARG 21 6.599 -11.460 -3.612 160 2HH2 ARG 21 2HH2 ARG 21 7.712 -10.499 -4.685 161 H LEU 22 H LEU 22 5.579 -3.766 -1.310 162 HA LEU 22 HA LEU 22 8.465 -4.068 -1.411 163 1HB LEU 22 1HB LEU 22 6.575 -1.790 -2.284 164 2HB LEU 22 2HB LEU 22 8.278 -1.798 -2.648 165 HG LEU 22 HG LEU 22 6.345 -3.966 -3.658 166 1HD1 LEU 22 1HD1 LEU 22 7.458 -1.457 -5.093 167 2HD1 LEU 22 2HD1 LEU 22 6.502 -2.748 -5.860 168 3HD1 LEU 22 3HD1 LEU 22 5.766 -1.731 -4.610 169 1HD2 LEU 22 1HD2 LEU 22 9.267 -3.320 -4.469 170 2HD2 LEU 22 2HD2 LEU 22 8.725 -4.776 -3.600 171 3HD2 LEU 22 3HD2 LEU 22 8.211 -4.509 -5.275 172 H LYS 23 H LYS 23 6.363 -1.837 0.505 173 HA LYS 23 HA LYS 23 8.559 0.006 1.272 174 1HB LYS 23 1HB LYS 23 6.032 0.462 1.137 175 2HB LYS 23 2HB LYS 23 5.796 -0.521 2.575 176 1HG LYS 23 1HG LYS 23 7.264 1.142 3.871 177 2HG LYS 23 2HG LYS 23 7.429 2.099 2.395 178 1HD LYS 23 1HD LYS 23 4.878 2.293 2.267 179 2HD LYS 23 2HD LYS 23 4.719 1.418 3.767 180 1HE LYS 23 1HE LYS 23 6.217 4.126 3.452 181 2HE LYS 23 2HE LYS 23 4.521 3.978 3.896 182 1HZ LYS 23 1HZ LYS 23 5.207 2.653 5.899 183 2HZ LYS 23 2HZ LYS 23 6.789 2.807 5.509 184 3HZ LYS 23 3HZ LYS 23 5.920 4.137 5.941 185 H GLU 24 H GLU 24 7.134 -2.778 2.996 186 HA GLU 24 HA GLU 24 8.821 -2.584 5.376 187 1HB GLU 24 1HB GLU 24 7.904 -4.773 5.942 188 2HB GLU 24 2HB GLU 24 6.629 -3.776 5.313 189 1HG GLU 24 1HG GLU 24 7.025 -5.070 3.001 190 2HG GLU 24 2HG GLU 24 8.018 -6.169 3.930 191 HE2 GLU 24 HE2 GLU 24 4.966 -4.855 3.477 192 H ALA 25 H ALA 25 9.324 -4.224 2.237 193 HA ALA 25 HA ALA 25 11.938 -5.339 2.927 194 1HB ALA 25 1HB ALA 25 10.360 -6.277 1.158 195 2HB ALA 25 2HB ALA 25 10.555 -4.791 0.192 196 3HB ALA 25 3HB ALA 25 11.931 -5.874 0.464 197 H TYR 26 H TYR 26 11.056 -2.348 0.941 198 HA TYR 26 HA TYR 26 13.675 -1.309 0.621 199 1HB TYR 26 1HB TYR 26 11.089 0.252 1.252 200 2HB TYR 26 2HB TYR 26 12.534 0.987 0.607 201 HD1 TYR 26 HD1 TYR 26 12.846 -1.612 -1.525 202 HD2 TYR 26 HD2 TYR 26 9.912 1.389 -0.572 203 HE1 TYR 26 HE1 TYR 26 11.969 -1.743 -3.802 204 HE2 TYR 26 HE2 TYR 26 9.043 1.243 -2.868 205 HH TYR 26 HH TYR 26 10.514 -0.904 -5.273 206 H ARG 27 H ARG 27 11.631 -0.839 3.491 207 HA ARG 27 HA ARG 27 13.516 0.439 5.350 208 1HB ARG 27 1HB ARG 27 11.066 0.010 5.721 209 2HB ARG 27 2HB ARG 27 11.313 -1.709 5.574 210 1HG ARG 27 1HG ARG 27 12.831 -1.457 7.787 211 2HG ARG 27 2HG ARG 27 12.102 0.127 7.905 212 1HD ARG 27 1HD ARG 27 10.826 -1.411 9.292 213 2HD ARG 27 2HD ARG 27 9.776 -0.967 7.930 214 HE ARG 27 HE ARG 27 11.095 -3.308 6.980 215 1HH1 ARG 27 1HH1 ARG 27 9.126 -2.685 9.782 216 2HH1 ARG 27 2HH1 ARG 27 8.608 -4.437 9.884 217 1HH2 ARG 27 1HH2 ARG 27 10.513 -5.234 7.121 218 2HH2 ARG 27 2HH2 ARG 27 9.385 -5.823 8.433 219 H ARG 28 H ARG 28 13.626 -3.005 4.133 220 HA ARG 28 HA ARG 28 15.679 -3.704 6.140 221 1HB ARG 28 1HB ARG 28 13.915 -5.384 5.542 222 2HB ARG 28 2HB ARG 28 14.349 -5.297 3.848 223 1HG ARG 28 1HG ARG 28 15.164 -7.357 4.862 224 2HG ARG 28 2HG ARG 28 16.511 -6.443 4.250 225 1HD ARG 28 1HD ARG 28 15.653 -6.418 7.227 226 2HD ARG 28 2HD ARG 28 16.772 -7.624 6.554 227 HE ARG 28 HE ARG 28 17.802 -5.023 5.751 228 1HH1 ARG 28 1HH1 ARG 28 17.370 -6.618 8.799 229 2HH1 ARG 28 2HH1 ARG 28 18.375 -5.353 9.663 230 1HH2 ARG 28 1HH2 ARG 28 18.860 -3.634 6.706 231 2HH2 ARG 28 2HH2 ARG 28 19.208 -3.738 8.495 232 H TYR 29 H TYR 29 15.434 -3.198 2.575 233 HA TYR 29 HA TYR 29 18.350 -3.450 2.056 234 1HB TYR 29 1HB TYR 29 16.378 -1.730 0.443 235 2HB TYR 29 2HB TYR 29 17.845 -2.467 -0.142 236 HD1 TYR 29 HD1 TYR 29 17.413 -5.387 0.916 237 HD2 TYR 29 HD2 TYR 29 14.769 -2.608 -1.021 238 HE1 TYR 29 HE1 TYR 29 15.908 -7.219 0.342 239 HE2 TYR 29 HE2 TYR 29 13.254 -4.453 -1.587 240 HH TYR 29 HH TYR 29 14.052 -7.820 -0.750 241 H THR 30 H THR 30 16.648 -0.915 3.522 242 HA THR 30 HA THR 30 18.772 1.216 3.273 243 HB THR 30 HB THR 30 16.520 0.992 5.353 244 HG1 THR 30 HG1 THR 30 15.667 1.100 3.217 245 1HG2 THR 30 1HG2 THR 30 18.301 2.708 5.927 246 2HG2 THR 30 2HG2 THR 30 18.081 3.466 4.323 247 3HG2 THR 30 3HG2 THR 30 16.761 3.491 5.512 248 HA PRO 31 HA PRO 31 21.050 -1.655 5.868 249 1HB PRO 31 1HB PRO 31 23.451 -0.285 6.290 250 2HB PRO 31 2HB PRO 31 22.902 -0.827 4.699 251 1HG PRO 31 1HG PRO 31 22.542 1.971 5.920 252 2HG PRO 31 2HG PRO 31 23.241 1.564 4.333 253 1HD PRO 31 1HD PRO 31 20.589 2.288 4.558 254 2HD PRO 31 2HD PRO 31 21.067 0.997 3.408 255 H TYR 32 H TYR 32 20.358 1.331 7.521 256 HA TYR 32 HA TYR 32 21.966 0.828 9.912 257 1HB TYR 32 1HB TYR 32 19.588 2.779 9.559 258 2HB TYR 32 2HB TYR 32 20.782 2.865 10.816 259 HD1 TYR 32 HD1 TYR 32 23.320 3.195 10.110 260 HD2 TYR 32 HD2 TYR 32 20.002 3.980 7.487 261 HE1 TYR 32 HE1 TYR 32 24.761 4.604 8.688 262 HE2 TYR 32 HE2 TYR 32 21.451 5.381 6.082 263 HH TYR 32 HH TYR 32 23.497 6.238 5.806 Start of MODEL 7 1 1H CYS 1 1H CYS 1 -10.924 0.555 -10.318 2 2H CYS 1 2H CYS 1 -9.777 0.898 -9.221 3 HA CYS 1 HA CYS 1 -12.656 0.420 -8.664 4 1HB CYS 1 1HB CYS 1 -11.321 -1.587 -9.294 5 2HB CYS 1 2HB CYS 1 -10.081 -1.206 -8.089 6 HG CYS 1 HG CYS 1 -11.555 -3.173 -7.225 7 H ALA 2 H ALA 2 -10.042 -0.019 -6.332 8 HA ALA 2 HA ALA 2 -10.504 2.716 -5.043 9 1HB ALA 2 1HB ALA 2 -12.251 1.217 -4.038 10 2HB ALA 2 2HB ALA 2 -11.001 0.044 -3.550 11 3HB ALA 2 3HB ALA 2 -11.035 1.669 -2.827 12 H LYS 3 H LYS 3 -6.873 2.112 -4.633 13 HA LYS 3 HA LYS 3 -8.621 2.687 -6.835 14 1HB LYS 3 1HB LYS 3 -9.183 4.606 -5.008 15 2HB LYS 3 2HB LYS 3 -7.621 5.254 -5.410 16 1HG LYS 3 1HG LYS 3 -9.288 6.470 -6.689 17 2HG LYS 3 2HG LYS 3 -8.380 5.518 -7.851 18 1HD LYS 3 1HD LYS 3 -10.223 3.747 -7.806 19 2HD LYS 3 2HD LYS 3 -11.109 4.701 -6.620 20 1HE LYS 3 1HE LYS 3 -11.370 6.566 -8.345 21 2HE LYS 3 2HE LYS 3 -10.431 5.618 -9.512 22 1HZ LYS 3 1HZ LYS 3 -12.125 3.769 -9.232 23 2HZ LYS 3 2HZ LYS 3 -13.008 4.684 -8.224 24 3HZ LYS 3 3HZ LYS 3 -12.862 5.131 -9.805 25 H VAL 4 H VAL 4 -7.469 3.067 -8.672 26 HA VAL 4 HA VAL 4 -4.428 2.887 -8.503 27 HB VAL 4 HB VAL 4 -5.379 0.828 -9.357 28 1HG1 VAL 4 1HG1 VAL 4 -7.551 1.517 -10.429 29 2HG1 VAL 4 2HG1 VAL 4 -6.657 2.299 -11.753 30 3HG1 VAL 4 3HG1 VAL 4 -6.551 0.544 -11.516 31 1HG2 VAL 4 1HG2 VAL 4 -3.177 1.610 -10.247 32 2HG2 VAL 4 2HG2 VAL 4 -4.042 0.602 -11.418 33 3HG2 VAL 4 3HG2 VAL 4 -3.997 2.368 -11.636 34 H LYS 5 H LYS 5 -4.357 4.966 -8.283 35 HA LYS 5 HA LYS 5 -4.539 6.666 -10.834 36 1HB LYS 5 1HB LYS 5 -5.295 8.610 -9.843 37 2HB LYS 5 2HB LYS 5 -6.378 7.407 -9.229 38 1HG LYS 5 1HG LYS 5 -4.142 8.854 -7.678 39 2HG LYS 5 2HG LYS 5 -5.828 9.206 -7.600 40 1HD LYS 5 1HD LYS 5 -6.353 7.562 -6.116 41 2HD LYS 5 2HD LYS 5 -5.372 6.337 -6.839 42 1HE LYS 5 1HE LYS 5 -4.269 8.607 -5.042 43 2HE LYS 5 2HE LYS 5 -4.664 6.984 -4.478 44 1HZ LYS 5 1HZ LYS 5 -2.706 7.427 -6.738 45 2HZ LYS 5 2HZ LYS 5 -2.199 7.275 -5.164 46 3HZ LYS 5 3HZ LYS 5 -2.943 6.036 -5.977 47 H GLY 6 H GLY 6 -2.535 5.762 -11.139 48 1HA GLY 6 1HA GLY 6 -0.568 5.779 -8.801 49 2HA GLY 6 2HA GLY 6 -0.865 4.481 -9.911 50 H ILE 7 H ILE 7 1.108 7.163 -9.271 51 HA ILE 7 HA ILE 7 2.877 6.448 -11.692 52 HB ILE 7 HB ILE 7 2.462 9.244 -10.448 53 1HG1 ILE 7 1HG1 ILE 7 1.854 8.323 -13.349 54 2HG1 ILE 7 2HG1 ILE 7 0.635 8.437 -12.102 55 1HG2 ILE 7 1HG2 ILE 7 4.890 8.859 -11.176 56 2HG2 ILE 7 2HG2 ILE 7 4.338 8.352 -12.790 57 3HG2 ILE 7 3HG2 ILE 7 4.116 10.027 -12.240 58 1HD1 ILE 7 1HD1 ILE 7 1.056 10.917 -11.821 59 2HD1 ILE 7 2HD1 ILE 7 2.206 10.852 -13.184 60 3HD1 ILE 7 3HD1 ILE 7 0.496 10.459 -13.446 61 H THR 8 H THR 8 4.143 5.012 -10.504 62 HA THR 8 HA THR 8 6.049 6.193 -8.425 63 HB THR 8 HB THR 8 4.142 3.835 -7.818 64 HG1 THR 8 HG1 THR 8 3.873 6.435 -7.557 65 1HG2 THR 8 1HG2 THR 8 6.304 5.134 -6.000 66 2HG2 THR 8 2HG2 THR 8 5.090 3.955 -5.467 67 3HG2 THR 8 3HG2 THR 8 6.350 3.463 -6.620 68 H GLN 9 H GLN 9 5.245 3.106 -10.217 69 HA GLN 9 HA GLN 9 7.962 2.740 -10.925 70 1HB GLN 9 1HB GLN 9 6.881 0.594 -8.969 71 2HB GLN 9 2HB GLN 9 8.228 0.334 -10.050 72 1HG GLN 9 1HG GLN 9 9.551 2.184 -8.889 73 2HG GLN 9 2HG GLN 9 8.214 2.431 -7.790 74 1HE2 GLN 9 2HE2 GLN 9 10.388 -0.188 -8.886 75 2HE2 GLN 9 1HE2 GLN 9 10.478 -0.949 -7.211 76 H GLY 10 H GLY 10 6.309 3.254 -12.559 77 1HA GLY 10 1HA GLY 10 4.433 2.870 -13.988 78 2HA GLY 10 2HA GLY 10 4.370 1.169 -13.510 79 HA PRO 11 HA PRO 11 0.854 3.179 -11.011 80 1HB PRO 11 1HB PRO 11 -0.501 0.986 -12.677 81 2HB PRO 11 2HB PRO 11 -1.188 2.512 -12.090 82 1HG PRO 11 1HG PRO 11 -0.386 2.303 -14.688 83 2HG PRO 11 2HG PRO 11 -0.003 3.786 -13.784 84 1HD PRO 11 1HD PRO 11 1.921 1.483 -14.452 85 2HD PRO 11 2HD PRO 11 2.211 3.245 -14.369 86 H ASN 12 H ASN 12 2.248 2.267 -9.462 87 HA ASN 12 HA ASN 12 2.294 -0.643 -8.877 88 1HB ASN 12 1HB ASN 12 4.161 1.215 -8.824 89 2HB ASN 12 2HB ASN 12 3.460 1.741 -7.289 90 1HD2 ASN 12 2HD2 ASN 12 5.587 1.351 -6.489 91 2HD2 ASN 12 1HD2 ASN 12 6.166 -0.374 -6.221 92 H GLU 13 H GLU 13 -0.372 0.608 -8.271 93 HA GLU 13 HA GLU 13 -0.949 -0.680 -5.634 94 1HB GLU 13 1HB GLU 13 -1.599 1.367 -4.381 95 2HB GLU 13 2HB GLU 13 0.091 1.346 -4.772 96 1HG GLU 13 1HG GLU 13 -0.499 3.601 -5.040 97 2HG GLU 13 2HG GLU 13 -0.371 3.013 -6.684 98 HE1 GLU 13 HE1 GLU 13 -4.220 3.312 -5.605 99 H SER 14 H SER 14 -3.023 -1.044 -5.335 100 HA SER 14 HA SER 14 -5.025 0.976 -6.364 101 1HB SER 14 1HB SER 14 -5.614 -0.899 -7.790 102 2HB SER 14 2HB SER 14 -5.663 -2.045 -6.474 103 HG SER 14 HG SER 14 -7.338 -0.543 -5.531 104 HA PRO 15 HA PRO 15 -5.981 0.204 -1.747 105 1HB PRO 15 1HB PRO 15 -5.842 -2.200 -0.476 106 2HB PRO 15 2HB PRO 15 -7.091 -1.919 -1.702 107 1HG PRO 15 1HG PRO 15 -4.326 -3.220 -2.154 108 2HG PRO 15 2HG PRO 15 -5.915 -3.980 -2.475 109 1HD PRO 15 1HD PRO 15 -4.500 -2.673 -4.449 110 2HD PRO 15 2HD PRO 15 -6.291 -2.549 -4.374 111 H SER 16 H SER 16 -3.150 0.041 -2.976 112 HA SER 16 HA SER 16 -0.825 0.234 -2.436 113 1HB SER 16 1HB SER 16 -0.026 0.765 -0.219 114 2HB SER 16 2HB SER 16 -1.476 1.720 -0.498 115 HG SER 16 HG SER 16 -2.614 -0.089 0.613 116 H ALA 17 H ALA 17 -0.965 -1.712 0.396 117 HA ALA 17 HA ALA 17 -0.444 -3.988 0.863 118 1HB ALA 17 1HB ALA 17 -2.872 -4.004 0.053 119 2HB ALA 17 2HB ALA 17 -2.323 -4.399 -1.592 120 3HB ALA 17 3HB ALA 17 -2.066 -5.551 -0.263 121 H PHE 18 H PHE 18 -0.190 -3.878 -2.698 122 HA PHE 18 HA PHE 18 2.282 -5.664 -2.767 123 1HB PHE 18 1HB PHE 18 0.615 -5.599 -4.706 124 2HB PHE 18 2HB PHE 18 0.949 -3.902 -4.946 125 HD1 PHE 18 HD1 PHE 18 2.509 -7.314 -4.989 126 HD2 PHE 18 HD2 PHE 18 2.970 -3.215 -6.206 127 HE1 PHE 18 HE1 PHE 18 4.422 -7.947 -6.416 128 HE2 PHE 18 HE2 PHE 18 4.868 -3.868 -7.638 129 HZ PHE 18 HZ PHE 18 5.602 -6.223 -7.737 130 H LEU 19 H LEU 19 1.507 -2.233 -3.225 131 HA LEU 19 HA LEU 19 4.185 -1.065 -3.059 132 1HB LEU 19 1HB LEU 19 1.806 0.034 -3.512 133 2HB LEU 19 2HB LEU 19 1.586 0.047 -1.798 134 HG LEU 19 HG LEU 19 3.689 1.510 -1.566 135 1HD1 LEU 19 1HD1 LEU 19 3.479 1.639 -4.656 136 2HD1 LEU 19 2HD1 LEU 19 4.491 2.703 -3.643 137 3HD1 LEU 19 3HD1 LEU 19 4.843 0.974 -3.730 138 1HD2 LEU 19 1HD2 LEU 19 1.363 2.477 -1.566 139 2HD2 LEU 19 2HD2 LEU 19 2.523 3.584 -2.329 140 3HD2 LEU 19 3HD2 LEU 19 1.415 2.631 -3.339 141 H GLU 20 H GLU 20 1.950 -1.737 -0.352 142 HA GLU 20 HA GLU 20 3.858 -1.198 1.731 143 1HB GLU 20 1HB GLU 20 1.307 -2.960 1.603 144 2HB GLU 20 2HB GLU 20 2.151 -2.852 3.092 145 1HG GLU 20 1HG GLU 20 1.891 -0.291 3.071 146 2HG GLU 20 2HG GLU 20 0.908 -0.438 1.618 147 HE2 GLU 20 HE2 GLU 20 -1.723 -2.034 3.373 148 H ARG 21 H ARG 21 3.269 -4.491 0.276 149 HA ARG 21 HA ARG 21 5.351 -5.861 1.703 150 1HB ARG 21 1HB ARG 21 4.344 -6.064 -1.212 151 2HB ARG 21 2HB ARG 21 5.571 -7.149 -0.603 152 1HG ARG 21 1HG ARG 21 4.119 -8.155 1.062 153 2HG ARG 21 2HG ARG 21 2.883 -6.925 0.866 154 1HD ARG 21 1HD ARG 21 2.473 -7.704 -1.543 155 2HD ARG 21 2HD ARG 21 3.730 -8.907 -1.352 156 HE ARG 21 HE ARG 21 2.250 -10.313 -0.095 157 1HH1 ARG 21 1HH1 ARG 21 0.837 -7.113 -0.173 158 2HH1 ARG 21 2HH1 ARG 21 -0.771 -7.759 0.414 159 1HH2 ARG 21 1HH2 ARG 21 0.412 -10.977 0.574 160 2HH2 ARG 21 2HH2 ARG 21 -0.979 -9.830 0.816 161 H LEU 22 H LEU 22 5.697 -3.749 -1.218 162 HA LEU 22 HA LEU 22 8.594 -3.902 -1.353 163 1HB LEU 22 1HB LEU 22 6.588 -1.791 -2.369 164 2HB LEU 22 2HB LEU 22 8.290 -1.734 -2.735 165 HG LEU 22 HG LEU 22 6.452 -4.057 -3.580 166 1HD1 LEU 22 1HD1 LEU 22 5.814 -1.932 -4.706 167 2HD1 LEU 22 2HD1 LEU 22 7.507 -1.652 -5.211 168 3HD1 LEU 22 3HD1 LEU 22 6.581 -3.026 -5.865 169 1HD2 LEU 22 1HD2 LEU 22 9.364 -3.383 -4.420 170 2HD2 LEU 22 2HD2 LEU 22 8.854 -4.789 -3.456 171 3HD2 LEU 22 3HD2 LEU 22 8.350 -4.653 -5.147 172 H LYS 23 H LYS 23 6.392 -1.638 0.456 173 HA LYS 23 HA LYS 23 8.649 0.084 1.461 174 1HB LYS 23 1HB LYS 23 5.778 -0.405 2.500 175 2HB LYS 23 2HB LYS 23 6.877 0.734 3.241 176 1HG LYS 23 1HG LYS 23 6.974 2.179 1.260 177 2HG LYS 23 2HG LYS 23 6.172 0.992 0.263 178 1HD LYS 23 1HD LYS 23 4.560 2.685 0.738 179 2HD LYS 23 2HD LYS 23 4.043 1.216 1.545 180 1HE LYS 23 1HE LYS 23 4.961 2.126 3.767 181 2HE LYS 23 2HE LYS 23 5.508 3.583 2.939 182 1HZ LYS 23 1HZ LYS 23 2.620 2.680 3.070 183 2HZ LYS 23 2HZ LYS 23 3.247 3.925 3.937 184 3HZ LYS 23 3HZ LYS 23 3.130 4.036 2.304 185 H GLU 24 H GLU 24 7.069 -2.866 2.806 186 HA GLU 24 HA GLU 24 8.646 -2.951 5.245 187 1HB GLU 24 1HB GLU 24 6.385 -4.289 4.314 188 2HB GLU 24 2HB GLU 24 7.557 -5.512 3.925 189 1HG GLU 24 1HG GLU 24 7.039 -4.227 6.705 190 2HG GLU 24 2HG GLU 24 6.348 -5.736 6.149 191 HE2 GLU 24 HE2 GLU 24 9.002 -6.443 8.428 192 H ALA 25 H ALA 25 9.183 -4.457 2.008 193 HA ALA 25 HA ALA 25 11.827 -5.522 2.569 194 1HB ALA 25 1HB ALA 25 10.360 -6.189 0.603 195 2HB ALA 25 2HB ALA 25 10.546 -4.559 -0.091 196 3HB ALA 25 3HB ALA 25 11.952 -5.637 0.045 197 H TYR 26 H TYR 26 11.003 -2.307 1.015 198 HA TYR 26 HA TYR 26 13.723 -1.434 0.959 199 1HB TYR 26 1HB TYR 26 11.156 0.281 1.064 200 2HB TYR 26 2HB TYR 26 12.716 0.864 0.532 201 HD1 TYR 26 HD1 TYR 26 12.885 -2.118 -1.222 202 HD2 TYR 26 HD2 TYR 26 10.442 1.424 -1.040 203 HE1 TYR 26 HE1 TYR 26 12.151 -2.490 -3.535 204 HE2 TYR 26 HE2 TYR 26 9.734 1.038 -3.362 205 HH TYR 26 HH TYR 26 9.886 -0.293 -5.180 206 H ARG 27 H ARG 27 11.412 -0.990 3.647 207 HA ARG 27 HA ARG 27 13.337 0.644 5.304 208 1HB ARG 27 1HB ARG 27 10.711 0.529 5.490 209 2HB ARG 27 2HB ARG 27 10.913 -1.086 6.128 210 1HG ARG 27 1HG ARG 27 10.677 0.095 8.080 211 2HG ARG 27 2HG ARG 27 12.414 0.052 8.016 212 1HD ARG 27 1HD ARG 27 10.559 2.398 7.202 213 2HD ARG 27 2HD ARG 27 11.451 2.316 8.693 214 HE ARG 27 HE ARG 27 12.496 3.205 6.053 215 1HH1 ARG 27 1HH1 ARG 27 13.552 1.806 9.041 216 2HH1 ARG 27 2HH1 ARG 27 15.251 2.483 8.867 217 1HH2 ARG 27 1HH2 ARG 27 14.434 3.862 5.801 218 2HH2 ARG 27 2HH2 ARG 27 15.745 3.368 6.961 219 H ARG 28 H ARG 28 15.025 -0.964 4.468 220 HA ARG 28 HA ARG 28 15.896 -2.783 6.589 221 1HB ARG 28 1HB ARG 28 15.402 -3.977 3.762 222 2HB ARG 28 2HB ARG 28 16.242 -4.793 5.064 223 1HG ARG 28 1HG ARG 28 14.028 -4.756 6.422 224 2HG ARG 28 2HG ARG 28 13.255 -4.107 4.978 225 1HD ARG 28 1HD ARG 28 14.141 -6.142 3.655 226 2HD ARG 28 2HD ARG 28 14.737 -6.808 5.191 227 HE ARG 28 HE ARG 28 11.818 -6.080 5.277 228 1HH1 ARG 28 1HH1 ARG 28 13.989 -8.579 4.186 229 2HH1 ARG 28 2HH1 ARG 28 12.655 -9.831 4.145 230 1HH2 ARG 28 1HH2 ARG 28 10.349 -7.548 5.309 231 2HH2 ARG 28 2HH2 ARG 28 10.696 -9.253 4.734 232 H TYR 29 H TYR 29 16.552 -1.946 3.082 233 HA TYR 29 HA TYR 29 19.451 -2.435 3.320 234 1HB TYR 29 1HB TYR 29 19.639 -1.355 1.118 235 2HB TYR 29 2HB TYR 29 18.382 -2.531 1.162 236 HD1 TYR 29 HD1 TYR 29 18.946 1.222 1.216 237 HD2 TYR 29 HD2 TYR 29 16.232 -1.976 0.250 238 HE1 TYR 29 HE1 TYR 29 17.471 2.811 0.067 239 HE2 TYR 29 HE2 TYR 29 14.802 -0.372 -0.954 240 HH TYR 29 HH TYR 29 15.585 3.070 -1.118 241 H THR 30 H THR 30 17.697 0.605 3.874 242 HA THR 30 HA THR 30 20.261 1.630 5.241 243 HB THR 30 HB THR 30 19.885 3.190 3.557 244 HG1 THR 30 HG1 THR 30 18.717 4.417 5.825 245 1HG2 THR 30 1HG2 THR 30 17.379 3.015 3.026 246 2HG2 THR 30 2HG2 THR 30 16.996 3.766 4.592 247 3HG2 THR 30 3HG2 THR 30 17.868 4.688 3.351 248 HA PRO 31 HA PRO 31 17.354 0.531 8.787 249 1HB PRO 31 1HB PRO 31 20.041 1.185 10.136 250 2HB PRO 31 2HB PRO 31 18.879 -0.091 10.547 251 1HG PRO 31 1HG PRO 31 21.105 -0.759 9.144 252 2HG PRO 31 2HG PRO 31 19.545 -1.436 8.620 253 1HD PRO 31 1HD PRO 31 21.048 0.950 7.393 254 2HD PRO 31 2HD PRO 31 20.230 -0.414 6.571 255 H TYR 32 H TYR 32 19.573 3.265 8.577 256 HA TYR 32 HA TYR 32 17.733 5.104 10.196 257 1HB TYR 32 1HB TYR 32 20.426 5.681 8.770 258 2HB TYR 32 2HB TYR 32 19.516 6.857 9.672 259 HD1 TYR 32 HD1 TYR 32 19.023 6.382 12.222 260 HD2 TYR 32 HD2 TYR 32 22.042 4.307 9.967 261 HE1 TYR 32 HE1 TYR 32 20.164 5.745 14.314 262 HE2 TYR 32 HE2 TYR 32 23.170 3.685 12.060 263 HH TYR 32 HH TYR 32 23.120 3.783 14.288 Start of MODEL 8 1 1H CYS 1 1H CYS 1 10.096 17.315 -6.390 2 2H CYS 1 2H CYS 1 9.293 18.114 -7.551 3 HA CYS 1 HA CYS 1 8.136 17.109 -5.003 4 1HB CYS 1 1HB CYS 1 9.700 19.031 -4.773 5 2HB CYS 1 2HB CYS 1 8.865 19.936 -6.042 6 HG CYS 1 HG CYS 1 7.750 18.898 -3.086 7 H ALA 2 H ALA 2 6.892 19.833 -6.923 8 HA ALA 2 HA ALA 2 4.282 18.313 -7.402 9 1HB ALA 2 1HB ALA 2 4.255 20.581 -6.328 10 2HB ALA 2 2HB ALA 2 5.038 21.294 -7.766 11 3HB ALA 2 3HB ALA 2 3.410 20.599 -7.888 12 H LYS 3 H LYS 3 5.185 16.888 -8.995 13 HA LYS 3 HA LYS 3 4.597 17.678 -11.652 14 1HB LYS 3 1HB LYS 3 6.983 18.704 -11.503 15 2HB LYS 3 2HB LYS 3 7.629 17.083 -11.349 16 1HG LYS 3 1HG LYS 3 6.675 16.530 -13.676 17 2HG LYS 3 2HG LYS 3 5.937 18.112 -13.736 18 1HD LYS 3 1HD LYS 3 7.909 18.260 -15.096 19 2HD LYS 3 2HD LYS 3 8.161 19.242 -13.681 20 1HE LYS 3 1HE LYS 3 10.254 18.118 -14.154 21 2HE LYS 3 2HE LYS 3 9.639 17.453 -12.650 22 1HZ LYS 3 1HZ LYS 3 9.304 16.130 -15.354 23 2HZ LYS 3 2HZ LYS 3 10.377 15.639 -14.207 24 3HZ LYS 3 3HZ LYS 3 8.761 15.505 -13.940 25 H VAL 4 H VAL 4 3.395 15.968 -11.842 26 HA VAL 4 HA VAL 4 2.566 13.730 -11.978 27 HB VAL 4 HB VAL 4 3.714 14.481 -14.109 28 1HG1 VAL 4 1HG1 VAL 4 6.181 14.247 -13.516 29 2HG1 VAL 4 2HG1 VAL 4 5.997 12.485 -13.535 30 3HG1 VAL 4 3HG1 VAL 4 5.722 13.424 -15.016 31 1HG2 VAL 4 1HG2 VAL 4 2.202 12.511 -14.076 32 2HG2 VAL 4 2HG2 VAL 4 3.486 12.324 -15.282 33 3HG2 VAL 4 3HG2 VAL 4 3.580 11.434 -13.746 34 H LYS 5 H LYS 5 2.888 13.327 -9.668 35 HA LYS 5 HA LYS 5 3.195 10.476 -9.711 36 1HB LYS 5 1HB LYS 5 4.655 10.007 -7.787 37 2HB LYS 5 2HB LYS 5 5.533 10.558 -9.175 38 1HG LYS 5 1HG LYS 5 4.931 12.423 -6.776 39 2HG LYS 5 2HG LYS 5 6.289 11.312 -6.800 40 1HD LYS 5 1HD LYS 5 7.155 12.377 -8.940 41 2HD LYS 5 2HD LYS 5 5.814 13.514 -8.890 42 1HE LYS 5 1HE LYS 5 6.594 14.401 -6.649 43 2HE LYS 5 2HE LYS 5 7.980 13.302 -6.683 44 1HZ LYS 5 1HZ LYS 5 7.409 15.185 -8.973 45 2HZ LYS 5 2HZ LYS 5 8.373 15.659 -7.718 46 3HZ LYS 5 3HZ LYS 5 8.814 14.401 -8.699 47 H GLY 6 H GLY 6 1.021 11.275 -9.526 48 1HA GLY 6 1HA GLY 6 -0.066 11.826 -6.757 49 2HA GLY 6 2HA GLY 6 0.149 13.247 -7.770 50 H ILE 7 H ILE 7 -1.648 10.258 -7.458 51 HA ILE 7 HA ILE 7 -3.592 10.876 -9.636 52 HB ILE 7 HB ILE 7 -3.988 8.978 -7.217 53 1HG1 ILE 7 1HG1 ILE 7 -2.013 8.173 -8.390 54 2HG1 ILE 7 2HG1 ILE 7 -3.344 7.104 -8.711 55 1HG2 ILE 7 1HG2 ILE 7 -5.437 9.089 -9.970 56 2HG2 ILE 7 2HG2 ILE 7 -5.653 7.818 -8.749 57 3HG2 ILE 7 3HG2 ILE 7 -6.157 9.474 -8.393 58 1HD1 ILE 7 1HD1 ILE 7 -2.208 9.197 -10.706 59 2HD1 ILE 7 2HD1 ILE 7 -1.954 7.441 -10.754 60 3HD1 ILE 7 3HD1 ILE 7 -3.572 8.103 -11.063 61 H THR 8 H THR 8 -5.205 12.276 -9.590 62 HA THR 8 HA THR 8 -5.359 14.273 -7.584 63 HB THR 8 HB THR 8 -7.349 13.748 -9.882 64 HG1 THR 8 HG1 THR 8 -5.810 15.432 -10.769 65 1HG2 THR 8 1HG2 THR 8 -8.095 15.660 -8.367 66 2HG2 THR 8 2HG2 THR 8 -6.505 16.437 -8.561 67 3HG2 THR 8 3HG2 THR 8 -7.599 16.257 -9.957 68 H GLN 9 H GLN 9 -6.068 13.819 -5.624 69 HA GLN 9 HA GLN 9 -7.548 13.515 -3.739 70 1HB GLN 9 1HB GLN 9 -8.378 15.626 -5.104 71 2HB GLN 9 2HB GLN 9 -9.635 14.589 -5.764 72 1HG GLN 9 1HG GLN 9 -10.456 14.180 -3.326 73 2HG GLN 9 2HG GLN 9 -9.196 15.260 -2.763 74 1HE2 GLN 9 2HE2 GLN 9 -12.237 15.125 -4.514 75 2HE2 GLN 9 1HE2 GLN 9 -12.521 16.944 -4.378 76 H GLY 10 H GLY 10 -8.692 10.907 -3.178 77 1HA GLY 10 1HA GLY 10 -6.504 10.965 -5.323 78 2HA GLY 10 2HA GLY 10 -6.188 11.363 -3.641 79 HA PRO 11 HA PRO 11 -6.329 6.528 -3.664 80 1HB PRO 11 1HB PRO 11 -7.190 5.077 -5.832 81 2HB PRO 11 2HB PRO 11 -8.315 5.858 -4.712 82 1HG PRO 11 1HG PRO 11 -7.345 6.933 -7.417 83 2HG PRO 11 2HG PRO 11 -9.026 6.766 -6.865 84 1HD PRO 11 1HD PRO 11 -7.668 9.179 -6.643 85 2HD PRO 11 2HD PRO 11 -8.852 8.665 -5.411 86 H ASN 12 H ASN 12 -4.193 7.784 -3.928 87 HA ASN 12 HA ASN 12 -2.390 6.735 -6.160 88 1HB ASN 12 1HB ASN 12 -2.461 9.178 -5.246 89 2HB ASN 12 2HB ASN 12 -1.734 8.598 -3.764 90 1HD2 ASN 12 2HD2 ASN 12 0.487 7.654 -4.039 91 2HD2 ASN 12 1HD2 ASN 12 1.497 8.365 -5.409 92 H GLU 13 H GLU 13 -3.086 4.637 -5.188 93 HA GLU 13 HA GLU 13 -2.815 2.588 -3.944 94 1HB GLU 13 1HB GLU 13 0.068 3.670 -4.001 95 2HB GLU 13 2HB GLU 13 -0.257 2.339 -2.947 96 1HG GLU 13 1HG GLU 13 -1.105 2.141 -5.904 97 2HG GLU 13 2HG GLU 13 0.551 1.873 -5.406 98 HE1 GLU 13 HE1 GLU 13 -2.020 -0.770 -3.830 99 H SER 14 H SER 14 -4.164 4.471 -2.700 100 HA SER 14 HA SER 14 -3.475 4.963 0.089 101 1HB SER 14 1HB SER 14 -5.280 6.137 -1.170 102 2HB SER 14 2HB SER 14 -6.262 4.669 -1.247 103 HG SER 14 HG SER 14 -6.779 6.110 0.515 104 HA PRO 15 HA PRO 15 -5.045 0.622 1.631 105 1HB PRO 15 1HB PRO 15 -5.795 -1.334 -0.188 106 2HB PRO 15 2HB PRO 15 -6.932 -0.163 0.497 107 1HG PRO 15 1HG PRO 15 -5.497 0.011 -2.212 108 2HG PRO 15 2HG PRO 15 -7.242 0.179 -1.902 109 1HD PRO 15 1HD PRO 15 -5.623 2.380 -2.144 110 2HD PRO 15 2HD PRO 15 -6.963 2.387 -0.960 111 H SER 16 H SER 16 -3.097 1.070 -1.191 112 HA SER 16 HA SER 16 -0.867 0.368 -1.807 113 1HB SER 16 1HB SER 16 -0.895 0.371 1.278 114 2HB SER 16 2HB SER 16 0.546 -0.118 0.417 115 HG SER 16 HG SER 16 -0.793 2.308 -0.286 116 H ALA 17 H ALA 17 -1.274 -2.059 0.733 117 HA ALA 17 HA ALA 17 -0.544 -4.330 0.799 118 1HB ALA 17 1HB ALA 17 -2.954 -4.295 -0.014 119 2HB ALA 17 2HB ALA 17 -2.410 -4.261 -1.707 120 3HB ALA 17 3HB ALA 17 -2.094 -5.690 -0.696 121 H PHE 18 H PHE 18 -0.365 -3.858 -2.749 122 HA PHE 18 HA PHE 18 2.177 -5.495 -2.983 123 1HB PHE 18 1HB PHE 18 0.472 -5.358 -4.860 124 2HB PHE 18 2HB PHE 18 0.688 -3.628 -4.969 125 HD1 PHE 18 HD1 PHE 18 2.502 -6.918 -5.385 126 HD2 PHE 18 HD2 PHE 18 2.490 -2.721 -6.329 127 HE1 PHE 18 HE1 PHE 18 4.354 -7.260 -6.978 128 HE2 PHE 18 HE2 PHE 18 4.336 -3.081 -7.917 129 HZ PHE 18 HZ PHE 18 5.276 -5.344 -8.238 130 H LEU 19 H LEU 19 1.367 -2.034 -3.089 131 HA LEU 19 HA LEU 19 4.104 -0.927 -2.953 132 1HB LEU 19 1HB LEU 19 1.635 0.182 -3.225 133 2HB LEU 19 2HB LEU 19 1.659 0.290 -1.520 134 HG LEU 19 HG LEU 19 2.208 2.385 -2.612 135 1HD1 LEU 19 1HD1 LEU 19 3.186 1.954 -0.334 136 2HD1 LEU 19 2HD1 LEU 19 4.716 1.449 -1.098 137 3HD1 LEU 19 3HD1 LEU 19 4.128 3.113 -1.295 138 1HD2 LEU 19 1HD2 LEU 19 3.355 1.506 -4.678 139 2HD2 LEU 19 2HD2 LEU 19 4.251 2.825 -3.898 140 3HD2 LEU 19 3HD2 LEU 19 4.808 1.150 -3.713 141 H GLU 20 H GLU 20 1.901 -1.938 -0.282 142 HA GLU 20 HA GLU 20 3.833 -1.363 1.798 143 1HB GLU 20 1HB GLU 20 1.134 -1.985 1.832 144 2HB GLU 20 2HB GLU 20 1.689 -3.600 2.078 145 1HG GLU 20 1HG GLU 20 2.165 -1.169 3.927 146 2HG GLU 20 2HG GLU 20 1.075 -2.511 4.212 147 HE2 GLU 20 HE2 GLU 20 3.729 -4.791 4.908 148 H ARG 21 H ARG 21 3.119 -4.533 0.264 149 HA ARG 21 HA ARG 21 5.189 -6.098 1.459 150 1HB ARG 21 1HB ARG 21 3.296 -6.762 -0.167 151 2HB ARG 21 2HB ARG 21 4.237 -6.157 -1.503 152 1HG ARG 21 1HG ARG 21 5.418 -8.349 0.350 153 2HG ARG 21 2HG ARG 21 4.102 -8.747 -0.710 154 1HD ARG 21 1HD ARG 21 5.982 -9.420 -1.927 155 2HD ARG 21 2HD ARG 21 5.446 -7.935 -2.738 156 HE ARG 21 HE ARG 21 7.370 -7.085 -0.753 157 1HH1 ARG 21 1HH1 ARG 21 7.451 -9.047 -3.626 158 2HH1 ARG 21 2HH1 ARG 21 9.195 -8.601 -3.962 159 1HH2 ARG 21 1HH2 ARG 21 9.293 -6.624 -1.134 160 2HH2 ARG 21 2HH2 ARG 21 10.189 -7.268 -2.591 161 H LEU 22 H LEU 22 5.575 -3.787 -1.293 162 HA LEU 22 HA LEU 22 8.471 -4.078 -1.483 163 1HB LEU 22 1HB LEU 22 6.537 -1.844 -2.359 164 2HB LEU 22 2HB LEU 22 8.229 -1.863 -2.781 165 HG LEU 22 HG LEU 22 6.282 -4.089 -3.638 166 1HD1 LEU 22 1HD1 LEU 22 7.241 -1.606 -5.217 167 2HD1 LEU 22 2HD1 LEU 22 6.294 -2.958 -5.883 168 3HD1 LEU 22 3HD1 LEU 22 5.584 -1.921 -4.638 169 1HD2 LEU 22 1HD2 LEU 22 9.137 -3.383 -4.637 170 2HD2 LEU 22 2HD2 LEU 22 8.697 -4.818 -3.682 171 3HD2 LEU 22 3HD2 LEU 22 8.078 -4.634 -5.332 172 H LYS 23 H LYS 23 6.358 -1.851 0.481 173 HA LYS 23 HA LYS 23 8.545 0.017 1.222 174 1HB LYS 23 1HB LYS 23 6.004 0.457 1.198 175 2HB LYS 23 2HB LYS 23 5.845 -0.637 2.561 176 1HG LYS 23 1HG LYS 23 7.484 1.017 3.848 177 2HG LYS 23 2HG LYS 23 7.299 2.081 2.471 178 1HD LYS 23 1HD LYS 23 5.739 2.847 4.099 179 2HD LYS 23 2HD LYS 23 4.758 2.092 2.850 180 1HE LYS 23 1HE LYS 23 4.528 -0.014 4.282 181 2HE LYS 23 2HE LYS 23 5.621 0.661 5.485 182 1HZ LYS 23 1HZ LYS 23 3.990 2.524 5.831 183 2HZ LYS 23 2HZ LYS 23 2.971 1.902 4.711 184 3HZ LYS 23 3HZ LYS 23 3.253 1.082 6.113 185 H GLU 24 H GLU 24 7.149 -2.822 2.951 186 HA GLU 24 HA GLU 24 8.843 -2.581 5.312 187 1HB GLU 24 1HB GLU 24 7.978 -4.803 5.895 188 2HB GLU 24 2HB GLU 24 6.694 -3.781 5.314 189 1HG GLU 24 1HG GLU 24 6.968 -5.039 2.987 190 2HG GLU 24 2HG GLU 24 7.999 -6.166 3.847 191 HE2 GLU 24 HE2 GLU 24 5.109 -7.942 4.176 192 H ALA 25 H ALA 25 9.357 -4.310 2.244 193 HA ALA 25 HA ALA 25 11.978 -5.414 2.883 194 1HB ALA 25 1HB ALA 25 10.606 -6.227 0.955 195 2HB ALA 25 2HB ALA 25 10.657 -4.617 0.184 196 3HB ALA 25 3HB ALA 25 12.138 -5.583 0.335 197 H TYR 26 H TYR 26 11.216 -2.388 0.934 198 HA TYR 26 HA TYR 26 13.847 -1.343 0.934 199 1HB TYR 26 1HB TYR 26 11.164 0.195 1.053 200 2HB TYR 26 2HB TYR 26 12.678 0.970 0.678 201 HD1 TYR 26 HD1 TYR 26 14.060 -0.737 -1.299 202 HD2 TYR 26 HD2 TYR 26 9.891 0.275 -0.948 203 HE1 TYR 26 HE1 TYR 26 13.769 -1.069 -3.709 204 HE2 TYR 26 HE2 TYR 26 9.628 -0.029 -3.377 205 HH TYR 26 HH TYR 26 12.354 -0.998 -5.425 206 H ARG 27 H ARG 27 11.432 -0.726 3.554 207 HA ARG 27 HA ARG 27 13.278 0.926 5.205 208 1HB ARG 27 1HB ARG 27 10.772 0.884 5.447 209 2HB ARG 27 2HB ARG 27 10.811 -0.799 5.934 210 1HG ARG 27 1HG ARG 27 10.410 0.625 7.845 211 2HG ARG 27 2HG ARG 27 11.906 -0.225 8.096 212 1HD ARG 27 1HD ARG 27 11.807 2.702 7.056 213 2HD ARG 27 2HD ARG 27 11.739 2.289 8.778 214 HE ARG 27 HE ARG 27 14.061 0.929 7.543 215 1HH1 ARG 27 1HH1 ARG 27 13.079 4.095 8.668 216 2HH1 ARG 27 2HH1 ARG 27 14.830 4.600 8.930 217 1HH2 ARG 27 1HH2 ARG 27 16.029 1.583 7.820 218 2HH2 ARG 27 2HH2 ARG 27 16.344 3.224 8.541 219 H ARG 28 H ARG 28 12.930 -2.724 5.014 220 HA ARG 28 HA ARG 28 14.666 -3.265 7.263 221 1HB ARG 28 1HB ARG 28 12.987 -4.835 6.095 222 2HB ARG 28 2HB ARG 28 14.063 -4.909 4.702 223 1HG ARG 28 1HG ARG 28 15.858 -5.956 6.176 224 2HG ARG 28 2HG ARG 28 14.794 -5.805 7.574 225 1HD ARG 28 1HD ARG 28 13.082 -7.315 6.408 226 2HD ARG 28 2HD ARG 28 14.155 -7.456 5.027 227 HE ARG 28 HE ARG 28 14.944 -8.318 7.895 228 1HH1 ARG 28 1HH1 ARG 28 15.043 -9.082 4.452 229 2HH1 ARG 28 2HH1 ARG 28 15.872 -10.665 4.813 230 1HH2 ARG 28 1HH2 ARG 28 15.912 -10.101 8.187 231 2HH2 ARG 28 2HH2 ARG 28 16.357 -11.182 6.793 232 H TYR 29 H TYR 29 15.334 -2.766 3.774 233 HA TYR 29 HA TYR 29 18.349 -3.055 4.261 234 1HB TYR 29 1HB TYR 29 16.911 -2.630 1.578 235 2HB TYR 29 2HB TYR 29 18.508 -3.279 1.833 236 HD1 TYR 29 HD1 TYR 29 18.225 -5.478 3.781 237 HD2 TYR 29 HD2 TYR 29 15.448 -4.261 0.732 238 HE1 TYR 29 HE1 TYR 29 16.999 -7.574 4.050 239 HE2 TYR 29 HE2 TYR 29 14.244 -6.363 0.991 240 HH TYR 29 HH TYR 29 14.246 -8.384 1.941 241 H THR 30 H THR 30 16.594 -0.465 4.788 242 HA THR 30 HA THR 30 18.456 1.544 3.398 243 HB THR 30 HB THR 30 15.855 2.114 4.909 244 HG1 THR 30 HG1 THR 30 15.423 1.145 2.923 245 1HG2 THR 30 1HG2 THR 30 17.560 4.003 3.141 246 2HG2 THR 30 2HG2 THR 30 15.985 4.394 3.862 247 3HG2 THR 30 3HG2 THR 30 17.389 4.131 4.915 248 HA PRO 31 HA PRO 31 20.329 1.377 7.616 249 1HB PRO 31 1HB PRO 31 22.413 3.190 7.303 250 2HB PRO 31 2HB PRO 31 22.357 1.635 6.460 251 1HG PRO 31 1HG PRO 31 21.508 4.371 5.355 252 2HG PRO 31 2HG PRO 31 22.602 3.188 4.599 253 1HD PRO 31 1HD PRO 31 19.901 3.329 3.943 254 2HD PRO 31 2HD PRO 31 20.756 1.755 3.949 255 H TYR 32 H TYR 32 19.087 4.461 6.493 256 HA TYR 32 HA TYR 32 19.493 5.980 8.977 257 1HB TYR 32 1HB TYR 32 17.428 6.444 6.711 258 2HB TYR 32 2HB TYR 32 17.826 7.603 7.941 259 HD1 TYR 32 HD1 TYR 32 20.293 8.477 8.116 260 HD2 TYR 32 HD2 TYR 32 18.786 6.372 4.678 261 HE1 TYR 32 HE1 TYR 32 22.148 9.357 6.748 262 HE2 TYR 32 HE2 TYR 32 20.637 7.262 3.331 263 HH TYR 32 HH TYR 32 22.448 8.553 3.305 Start of MODEL 9 1 1H CYS 1 1H CYS 1 -12.825 -16.764 -5.711 2 2H CYS 1 2H CYS 1 -12.387 -17.490 -4.322 3 HA CYS 1 HA CYS 1 -14.139 -15.872 -3.966 4 1HB CYS 1 1HB CYS 1 -11.402 -15.308 -2.615 5 2HB CYS 1 2HB CYS 1 -12.954 -14.708 -2.029 6 HG CYS 1 HG CYS 1 -11.812 -17.792 -2.260 7 H ALA 2 H ALA 2 -14.952 -14.183 -5.124 8 HA ALA 2 HA ALA 2 -13.169 -12.021 -6.341 9 1HB ALA 2 1HB ALA 2 -14.988 -13.169 -7.677 10 2HB ALA 2 2HB ALA 2 -16.221 -12.575 -6.526 11 3HB ALA 2 3HB ALA 2 -15.294 -11.432 -7.518 12 H LYS 3 H LYS 3 -13.140 -11.869 -3.546 13 HA LYS 3 HA LYS 3 -13.647 -9.134 -3.133 14 1HB LYS 3 1HB LYS 3 -16.128 -10.366 -2.735 15 2HB LYS 3 2HB LYS 3 -15.500 -10.578 -1.136 16 1HG LYS 3 1HG LYS 3 -16.779 -8.578 -1.080 17 2HG LYS 3 2HG LYS 3 -15.116 -8.002 -1.028 18 1HD LYS 3 1HD LYS 3 -15.158 -7.371 -3.413 19 2HD LYS 3 2HD LYS 3 -16.659 -8.244 -3.704 20 1HE LYS 3 1HE LYS 3 -17.942 -6.630 -2.236 21 2HE LYS 3 2HE LYS 3 -16.449 -5.759 -1.851 22 1HZ LYS 3 1HZ LYS 3 -17.356 -6.123 -4.717 23 2HZ LYS 3 2HZ LYS 3 -17.734 -4.770 -3.860 24 3HZ LYS 3 3HZ LYS 3 -16.175 -5.116 -4.166 25 H VAL 4 H VAL 4 -13.524 -12.095 -1.163 26 HA VAL 4 HA VAL 4 -11.578 -10.727 0.804 27 HB VAL 4 HB VAL 4 -13.143 -13.359 1.166 28 1HG1 VAL 4 1HG1 VAL 4 -11.049 -13.312 2.576 29 2HG1 VAL 4 2HG1 VAL 4 -11.507 -11.729 3.243 30 3HG1 VAL 4 3HG1 VAL 4 -12.482 -13.177 3.592 31 1HG2 VAL 4 1HG2 VAL 4 -13.727 -10.583 2.437 32 2HG2 VAL 4 2HG2 VAL 4 -14.762 -11.429 1.266 33 3HG2 VAL 4 3HG2 VAL 4 -14.535 -12.108 2.881 34 H LYS 5 H LYS 5 -10.157 -10.840 -1.122 35 HA LYS 5 HA LYS 5 -8.049 -12.332 -0.005 36 1HB LYS 5 1HB LYS 5 -7.082 -13.611 -1.840 37 2HB LYS 5 2HB LYS 5 -8.627 -14.283 -1.388 38 1HG LYS 5 1HG LYS 5 -9.708 -13.335 -3.441 39 2HG LYS 5 2HG LYS 5 -8.220 -12.504 -3.887 40 1HD LYS 5 1HD LYS 5 -7.003 -14.747 -3.959 41 2HD LYS 5 2HD LYS 5 -8.502 -15.588 -3.637 42 1HE LYS 5 1HE LYS 5 -8.038 -13.727 -6.092 43 2HE LYS 5 2HE LYS 5 -7.676 -15.450 -6.107 44 1HZ LYS 5 1HZ LYS 5 -10.086 -15.907 -5.556 45 2HZ LYS 5 2HZ LYS 5 -10.439 -14.331 -5.541 46 3HZ LYS 5 3HZ LYS 5 -9.985 -15.048 -6.956 47 H GLY 6 H GLY 6 -8.679 -9.773 -0.174 48 1HA GLY 6 1HA GLY 6 -7.979 -7.634 -0.753 49 2HA GLY 6 2HA GLY 6 -6.637 -8.324 -1.688 50 H ILE 7 H ILE 7 -10.215 -8.312 -2.100 51 HA ILE 7 HA ILE 7 -9.937 -6.687 -4.691 52 HB ILE 7 HB ILE 7 -11.591 -9.254 -4.242 53 1HG1 ILE 7 1HG1 ILE 7 -9.578 -8.607 -6.509 54 2HG1 ILE 7 2HG1 ILE 7 -9.087 -9.393 -5.031 55 1HG2 ILE 7 1HG2 ILE 7 -13.027 -7.561 -5.487 56 2HG2 ILE 7 2HG2 ILE 7 -11.720 -7.298 -6.667 57 3HG2 ILE 7 3HG2 ILE 7 -12.555 -8.866 -6.566 58 1HD1 ILE 7 1HD1 ILE 7 -10.692 -11.309 -5.443 59 2HD1 ILE 7 2HD1 ILE 7 -11.101 -10.591 -7.024 60 3HD1 ILE 7 3HD1 ILE 7 -9.440 -11.128 -6.696 61 H THR 8 H THR 8 -11.029 -4.836 -4.363 62 HA THR 8 HA THR 8 -13.310 -4.705 -2.278 63 HB THR 8 HB THR 8 -12.798 -2.268 -1.996 64 HG1 THR 8 HG1 THR 8 -10.275 -2.111 -2.534 65 1HG2 THR 8 1HG2 THR 8 -11.976 -3.922 -0.275 66 2HG2 THR 8 2HG2 THR 8 -10.464 -4.141 -1.184 67 3HG2 THR 8 3HG2 THR 8 -10.841 -2.565 -0.443 68 H GLN 9 H GLN 9 -12.284 -2.540 -5.025 69 HA GLN 9 HA GLN 9 -14.626 -3.210 -6.590 70 1HB GLN 9 1HB GLN 9 -15.515 -1.610 -4.583 71 2HB GLN 9 2HB GLN 9 -14.690 -0.337 -5.446 72 1HG GLN 9 1HG GLN 9 -17.019 -0.272 -6.086 73 2HG GLN 9 2HG GLN 9 -16.147 -0.847 -7.494 74 1HE2 GLN 9 2HE2 GLN 9 -18.211 -1.636 -8.201 75 2HE2 GLN 9 1HE2 GLN 9 -18.907 -3.182 -7.484 76 H GLY 10 H GLY 10 -13.198 -2.410 -9.062 77 1HA GLY 10 1HA GLY 10 -13.064 -4.565 -7.229 78 2HA GLY 10 2HA GLY 10 -12.562 -4.665 -8.878 79 HA PRO 11 HA PRO 11 -8.572 -5.858 -7.574 80 1HB PRO 11 1HB PRO 11 -6.746 -4.856 -9.368 81 2HB PRO 11 2HB PRO 11 -8.097 -5.896 -9.856 82 1HG PRO 11 1HG PRO 11 -7.964 -2.831 -9.975 83 2HG PRO 11 2HG PRO 11 -8.426 -3.947 -11.288 84 1HD PRO 11 1HD PRO 11 -10.305 -2.684 -9.656 85 2HD PRO 11 2HD PRO 11 -10.600 -4.323 -10.326 86 H ASN 12 H ASN 12 -8.606 -4.953 -5.508 87 HA ASN 12 HA ASN 12 -7.369 -2.408 -4.787 88 1HB ASN 12 1HB ASN 12 -9.115 -3.909 -3.506 89 2HB ASN 12 2HB ASN 12 -7.780 -4.854 -2.913 90 1HD2 ASN 12 2HD2 ASN 12 -6.261 -3.677 -1.435 91 2HD2 ASN 12 1HD2 ASN 12 -6.942 -2.211 -0.554 92 H GLU 13 H GLU 13 -5.955 -5.663 -4.507 93 HA GLU 13 HA GLU 13 -3.533 -4.601 -3.123 94 1HB GLU 13 1HB GLU 13 -3.025 -6.879 -2.710 95 2HB GLU 13 2HB GLU 13 -4.758 -6.803 -2.659 96 1HG GLU 13 1HG GLU 13 -4.696 -7.701 -5.168 97 2HG GLU 13 2HG GLU 13 -2.984 -8.005 -4.907 98 HE2 GLU 13 HE2 GLU 13 -5.838 -10.351 -3.472 99 H SER 14 H SER 14 -3.946 -4.337 -6.304 100 HA SER 14 HA SER 14 -0.968 -4.658 -7.002 101 1HB SER 14 1HB SER 14 -2.587 -5.382 -8.735 102 2HB SER 14 2HB SER 14 -3.364 -3.809 -8.777 103 HG SER 14 HG SER 14 -1.237 -2.943 -9.355 104 HA PRO 15 HA PRO 15 -1.089 0.181 -6.864 105 1HB PRO 15 1HB PRO 15 -3.359 1.604 -6.108 106 2HB PRO 15 2HB PRO 15 -3.036 1.094 -7.771 107 1HG PRO 15 1HG PRO 15 -4.800 -0.338 -5.703 108 2HG PRO 15 2HG PRO 15 -5.235 0.108 -7.367 109 1HD PRO 15 1HD PRO 15 -4.387 -2.412 -6.767 110 2HD PRO 15 2HD PRO 15 -3.883 -1.647 -8.301 111 H SER 16 H SER 16 -3.016 -1.318 -4.258 112 HA SER 16 HA SER 16 -1.190 -0.105 -2.239 113 1HB SER 16 1HB SER 16 -3.601 0.696 -1.957 114 2HB SER 16 2HB SER 16 -4.129 -0.987 -1.798 115 HG SER 16 HG SER 16 -3.657 0.258 0.193 116 H ALA 17 H ALA 17 -1.253 -1.672 -0.261 117 HA ALA 17 HA ALA 17 -0.372 -3.696 0.699 118 1HB ALA 17 1HB ALA 17 -2.795 -4.283 0.176 119 2HB ALA 17 2HB ALA 17 -2.274 -5.024 -1.353 120 3HB ALA 17 3HB ALA 17 -1.737 -5.705 0.196 121 H PHE 18 H PHE 18 -0.228 -4.166 -2.849 122 HA PHE 18 HA PHE 18 2.428 -5.637 -2.821 123 1HB PHE 18 1HB PHE 18 0.918 -5.788 -4.792 124 2HB PHE 18 2HB PHE 18 0.860 -4.054 -4.962 125 HD1 PHE 18 HD1 PHE 18 3.395 -6.889 -4.887 126 HD2 PHE 18 HD2 PHE 18 2.348 -3.063 -6.551 127 HE1 PHE 18 HE1 PHE 18 5.330 -7.014 -6.410 128 HE2 PHE 18 HE2 PHE 18 4.277 -3.208 -8.075 129 HZ PHE 18 HZ PHE 18 5.771 -5.178 -8.005 130 H LEU 19 H LEU 19 1.412 -2.254 -3.210 131 HA LEU 19 HA LEU 19 4.005 -0.917 -3.025 132 1HB LEU 19 1HB LEU 19 1.709 0.099 -3.565 133 2HB LEU 19 2HB LEU 19 1.234 -0.115 -1.891 134 HG LEU 19 HG LEU 19 3.063 1.519 -1.194 135 1HD1 LEU 19 1HD1 LEU 19 3.382 1.923 -4.255 136 2HD1 LEU 19 2HD1 LEU 19 4.071 2.992 -3.012 137 3HD1 LEU 19 3HD1 LEU 19 4.634 1.316 -3.145 138 1HD2 LEU 19 1HD2 LEU 19 0.690 2.238 -1.515 139 2HD2 LEU 19 2HD2 LEU 19 1.799 3.534 -2.007 140 3HD2 LEU 19 3HD2 LEU 19 0.987 2.544 -3.243 141 H GLU 20 H GLU 20 1.883 -1.754 -0.163 142 HA GLU 20 HA GLU 20 3.965 -1.180 1.726 143 1HB GLU 20 1HB GLU 20 1.333 -2.805 1.899 144 2HB GLU 20 2HB GLU 20 2.399 -2.728 3.266 145 1HG GLU 20 1HG GLU 20 0.752 -1.027 3.651 146 2HG GLU 20 2HG GLU 20 2.280 -0.232 3.372 147 HE2 GLU 20 HE2 GLU 20 -0.679 -1.067 2.047 148 H ARG 21 H ARG 21 3.225 -4.441 0.299 149 HA ARG 21 HA ARG 21 5.302 -5.888 1.656 150 1HB ARG 21 1HB ARG 21 4.073 -6.067 -1.177 151 2HB ARG 21 2HB ARG 21 5.356 -7.154 -0.714 152 1HG ARG 21 1HG ARG 21 4.111 -8.108 1.140 153 2HG ARG 21 2HG ARG 21 2.808 -6.952 1.019 154 1HD ARG 21 1HD ARG 21 3.488 -8.920 -1.279 155 2HD ARG 21 2HD ARG 21 2.454 -9.353 0.090 156 HE ARG 21 HE ARG 21 1.503 -6.822 -1.111 157 1HH1 ARG 21 1HH1 ARG 21 1.324 -10.282 -1.472 158 2HH1 ARG 21 2HH1 ARG 21 -0.244 -10.190 -2.411 159 1HH2 ARG 21 1HH2 ARG 21 -0.179 -6.753 -2.362 160 2HH2 ARG 21 2HH2 ARG 21 -1.044 -8.278 -2.871 161 H LEU 22 H LEU 22 5.674 -3.815 -1.315 162 HA LEU 22 HA LEU 22 8.570 -3.960 -1.399 163 1HB LEU 22 1HB LEU 22 6.595 -1.799 -2.371 164 2HB LEU 22 2HB LEU 22 8.296 -1.784 -2.771 165 HG LEU 22 HG LEU 22 6.386 -4.055 -3.599 166 1HD1 LEU 22 1HD1 LEU 22 7.408 -1.629 -5.228 167 2HD1 LEU 22 2HD1 LEU 22 6.465 -2.992 -5.874 168 3HD1 LEU 22 3HD1 LEU 22 5.735 -1.908 -4.678 169 1HD2 LEU 22 1HD2 LEU 22 9.275 -3.405 -4.541 170 2HD2 LEU 22 2HD2 LEU 22 8.797 -4.803 -3.546 171 3HD2 LEU 22 3HD2 LEU 22 8.223 -4.674 -5.214 172 H LYS 23 H LYS 23 6.373 -1.812 0.443 173 HA LYS 23 HA LYS 23 8.507 0.078 1.352 174 1HB LYS 23 1HB LYS 23 5.877 0.377 1.184 175 2HB LYS 23 2HB LYS 23 5.796 -0.486 2.719 176 1HG LYS 23 1HG LYS 23 7.270 1.342 3.742 177 2HG LYS 23 2HG LYS 23 7.297 2.173 2.202 178 1HD LYS 23 1HD LYS 23 4.834 1.598 3.976 179 2HD LYS 23 2HD LYS 23 5.602 3.148 3.784 180 1HE LYS 23 1HE LYS 23 4.002 1.634 1.587 181 2HE LYS 23 2HE LYS 23 3.397 2.952 2.561 182 1HZ LYS 23 1HZ LYS 23 5.148 4.434 1.571 183 2HZ LYS 23 2HZ LYS 23 5.737 3.199 0.671 184 3HZ LYS 23 3HZ LYS 23 4.228 3.781 0.369 185 H GLU 24 H GLU 24 7.049 -2.854 2.883 186 HA GLU 24 HA GLU 24 8.715 -2.862 5.270 187 1HB GLU 24 1HB GLU 24 7.088 -4.958 3.697 188 2HB GLU 24 2HB GLU 24 8.178 -5.527 4.926 189 1HG GLU 24 1HG GLU 24 5.957 -3.468 5.520 190 2HG GLU 24 2HG GLU 24 5.768 -5.200 5.693 191 HE2 GLU 24 HE2 GLU 24 7.039 -3.305 8.739 192 H ALA 25 H ALA 25 9.169 -4.442 2.048 193 HA ALA 25 HA ALA 25 11.763 -5.555 2.527 194 1HB ALA 25 1HB ALA 25 10.307 -6.073 0.529 195 2HB ALA 25 2HB ALA 25 10.570 -4.433 -0.112 196 3HB ALA 25 3HB ALA 25 11.925 -5.574 0.001 197 H TYR 26 H TYR 26 11.223 -2.304 0.889 198 HA TYR 26 HA TYR 26 13.960 -1.470 1.149 199 1HB TYR 26 1HB TYR 26 11.264 -0.038 0.682 200 2HB TYR 26 2HB TYR 26 12.614 0.961 1.083 201 HD1 TYR 26 HD1 TYR 26 14.566 1.242 -0.376 202 HD2 TYR 26 HD2 TYR 26 11.322 -1.324 -1.554 203 HE1 TYR 26 HE1 TYR 26 15.418 1.215 -2.681 204 HE2 TYR 26 HE2 TYR 26 12.194 -1.350 -3.859 205 HH TYR 26 HH TYR 26 15.085 0.491 -4.768 206 H ARG 27 H ARG 27 11.349 -1.016 3.588 207 HA ARG 27 HA ARG 27 13.012 0.635 5.434 208 1HB ARG 27 1HB ARG 27 10.464 0.475 5.368 209 2HB ARG 27 2HB ARG 27 10.548 -1.194 5.921 210 1HG ARG 27 1HG ARG 27 11.616 -0.391 8.089 211 2HG ARG 27 2HG ARG 27 11.523 1.277 7.507 212 1HD ARG 27 1HD ARG 27 8.996 1.105 7.359 213 2HD ARG 27 2HD ARG 27 9.077 -0.600 7.881 214 HE ARG 27 HE ARG 27 10.549 1.032 9.813 215 1HH1 ARG 27 1HH1 ARG 27 7.246 0.478 8.856 216 2HH1 ARG 27 2HH1 ARG 27 6.604 0.926 10.511 217 1HH2 ARG 27 1HH2 ARG 27 9.779 1.532 11.693 218 2HH2 ARG 27 2HH2 ARG 27 7.991 1.481 12.028 219 H ARG 28 H ARG 28 12.499 -3.021 5.402 220 HA ARG 28 HA ARG 28 14.429 -3.461 7.533 221 1HB ARG 28 1HB ARG 28 13.461 -5.267 5.235 222 2HB ARG 28 2HB ARG 28 14.381 -5.832 6.619 223 1HG ARG 28 1HG ARG 28 12.486 -5.364 8.178 224 2HG ARG 28 2HG ARG 28 11.562 -4.615 6.882 225 1HD ARG 28 1HD ARG 28 11.822 -6.895 5.572 226 2HD ARG 28 2HD ARG 28 12.410 -7.573 7.099 227 HE ARG 28 HE ARG 28 9.799 -6.155 7.467 228 1HH1 ARG 28 1HH1 ARG 28 11.107 -9.134 6.230 229 2HH1 ARG 28 2HH1 ARG 28 9.496 -9.990 6.395 230 1HH2 ARG 28 1HH2 ARG 28 8.019 -7.107 7.588 231 2HH2 ARG 28 2HH2 ARG 28 7.817 -8.875 7.151 232 H TYR 29 H TYR 29 14.683 -3.408 3.953 233 HA TYR 29 HA TYR 29 17.734 -3.793 4.116 234 1HB TYR 29 1HB TYR 29 16.029 -4.805 1.786 235 2HB TYR 29 2HB TYR 29 17.616 -5.312 2.266 236 HD1 TYR 29 HD1 TYR 29 17.580 -6.479 4.848 237 HD2 TYR 29 HD2 TYR 29 14.253 -6.274 2.134 238 HE1 TYR 29 HE1 TYR 29 16.409 -8.206 6.136 239 HE2 TYR 29 HE2 TYR 29 13.087 -7.993 3.430 240 HH TYR 29 HH TYR 29 14.641 -9.598 6.186 241 H THR 30 H THR 30 17.516 -1.332 4.165 242 HA THR 30 HA THR 30 16.600 0.035 1.723 243 HB THR 30 HB THR 30 18.188 1.417 3.915 244 HG1 THR 30 HG1 THR 30 15.504 0.458 3.987 245 1HG2 THR 30 1HG2 THR 30 17.356 2.825 1.977 246 2HG2 THR 30 2HG2 THR 30 15.690 2.271 2.282 247 3HG2 THR 30 3HG2 THR 30 16.537 3.267 3.486 248 HA PRO 31 HA PRO 31 20.772 -0.904 0.254 249 1HB PRO 31 1HB PRO 31 20.374 -0.863 -2.474 250 2HB PRO 31 2HB PRO 31 19.445 -1.937 -1.417 251 1HG PRO 31 1HG PRO 31 18.577 0.828 -2.467 252 2HG PRO 31 2HG PRO 31 17.684 -0.711 -2.613 253 1HD PRO 31 1HD PRO 31 17.189 1.085 -0.522 254 2HD PRO 31 2HD PRO 31 17.060 -0.687 -0.298 255 H TYR 32 H TYR 32 21.185 1.402 1.315 256 HA TYR 32 HA TYR 32 22.859 3.077 -0.680 257 1HB TYR 32 1HB TYR 32 20.888 4.172 1.443 258 2HB TYR 32 2HB TYR 32 21.998 5.152 0.529 259 HD1 TYR 32 HD1 TYR 32 21.743 5.300 -2.062 260 HD2 TYR 32 HD2 TYR 32 18.757 3.513 0.448 261 HE1 TYR 32 HE1 TYR 32 20.092 5.505 -3.873 262 HE2 TYR 32 HE2 TYR 32 17.100 3.737 -1.371 263 HH TYR 32 HH TYR 32 17.987 5.141 -4.503
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