NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582820 | 2mgq | 19600 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 1HA GLY 1 2.898 -0.688 -1.162 3 HA3 GLY 1 2HA GLY 1 1.419 -0.332 -2.041 4 HA PRO 2 HA PRO 2 4.505 3.176 -2.488 5 HB2 PRO 2 1HB PRO 2 4.669 3.072 -5.196 6 HB3 PRO 2 2HB PRO 2 5.721 2.130 -4.133 7 HG2 PRO 2 1HG PRO 2 3.253 1.277 -5.597 8 HG3 PRO 2 2HG PRO 2 4.794 0.419 -5.406 9 HD2 PRO 2 1HD PRO 2 2.608 -0.164 -3.918 10 HD3 PRO 2 2HD PRO 2 4.260 -0.326 -3.291 11 H ARG 3 H ARG 3 2.453 4.217 -1.744 12 HA ARG 3 HA ARG 3 1.592 6.163 -3.555 13 HB2 ARG 3 1HB ARG 3 -0.857 5.408 -3.655 14 HB3 ARG 3 2HB ARG 3 0.283 4.610 -4.730 15 HG2 ARG 3 1HG ARG 3 0.322 2.660 -3.405 16 HG3 ARG 3 2HG ARG 3 -0.494 3.467 -2.065 17 HD2 ARG 3 1HD ARG 3 -2.226 2.271 -2.997 18 HD3 ARG 3 2HD ARG 3 -2.397 3.825 -3.812 19 HE ARG 3 HE ARG 3 -0.793 2.411 -5.477 20 HH11 ARG 3 1HH1 ARG 3 -3.887 1.788 -4.007 21 HH12 ARG 3 2HH1 ARG 3 -4.451 0.792 -5.308 22 HH21 ARG 3 1HH2 ARG 3 -1.524 1.102 -7.196 23 HH22 ARG 3 2HH2 ARG 3 -3.106 0.402 -7.121 24 H LYS 4 H LYS 4 0.699 7.833 -2.469 25 HA LYS 4 HA LYS 4 0.076 7.384 0.368 26 HB2 LYS 4 1HB LYS 4 1.929 8.987 -0.305 27 HB3 LYS 4 2HB LYS 4 0.671 10.031 -0.954 28 HG2 LYS 4 1HG LYS 4 -0.172 9.425 1.627 29 HG3 LYS 4 2HG LYS 4 1.566 9.697 1.765 30 HD2 LYS 4 1HD LYS 4 1.016 11.869 1.869 31 HD3 LYS 4 2HD LYS 4 0.805 11.741 0.122 32 HE2 LYS 4 1HE LYS 4 -1.597 11.042 0.647 33 HE3 LYS 4 2HE LYS 4 -1.286 11.637 2.277 34 HZ1 LYS 4 3HZ LYS 4 -1.225 13.186 -0.250 35 HZ2 LYS 4 1HZ LYS 4 -0.633 13.786 1.217 36 HZ3 LYS 4 2HZ LYS 4 -2.271 13.392 1.063 37 H ASN 5 H ASN 5 -1.215 8.514 -2.645 38 HA ASN 5 HA ASN 5 -3.778 9.052 -1.299 39 HB2 ASN 5 1HB ASN 5 -4.027 10.592 -3.490 40 HB3 ASN 5 2HB ASN 5 -3.383 11.195 -1.965 41 HD21 ASN 5 2HD2 ASN 5 -1.795 12.538 -2.409 42 HD22 ASN 5 1HD2 ASN 5 -0.511 12.257 -3.531 43 H ARG 6 H ARG 6 -2.542 8.661 -4.625 44 HA ARG 6 HA ARG 6 -3.809 6.202 -5.110 45 HB2 ARG 6 1HB ARG 6 -5.557 7.120 -6.739 46 HB3 ARG 6 2HB ARG 6 -5.922 7.227 -5.022 47 HG2 ARG 6 1HG ARG 6 -4.574 9.603 -5.748 48 HG3 ARG 6 2HG ARG 6 -5.823 9.302 -6.958 49 HD2 ARG 6 1HD ARG 6 -7.283 8.802 -4.819 50 HD3 ARG 6 2HD ARG 6 -6.083 9.833 -4.041 51 HE ARG 6 HE ARG 6 -6.806 11.295 -6.180 52 HH11 ARG 6 1HH1 ARG 6 -8.647 9.661 -3.718 53 HH12 ARG 6 2HH1 ARG 6 -9.966 10.783 -3.776 54 HH21 ARG 6 1HH2 ARG 6 -8.537 12.778 -6.266 55 HH22 ARG 6 2HH2 ARG 6 -9.903 12.555 -5.226 56 H ARG 7 H ARG 7 -2.651 9.252 -6.416 57 HA ARG 7 HA ARG 7 -2.087 8.214 -9.023 58 HB2 ARG 7 1HB ARG 7 -1.318 10.745 -7.582 59 HB3 ARG 7 2HB ARG 7 -0.707 10.369 -9.187 60 HG2 ARG 7 1HG ARG 7 -3.624 10.162 -8.854 61 HG3 ARG 7 2HG ARG 7 -2.943 11.784 -8.721 62 HD2 ARG 7 1HD ARG 7 -2.161 9.993 -10.987 63 HD3 ARG 7 2HD ARG 7 -3.678 10.890 -11.044 64 HE ARG 7 HE ARG 7 -1.544 12.619 -10.378 65 HH11 ARG 7 1HH1 ARG 7 -2.902 10.859 -13.057 66 HH12 ARG 7 2HH1 ARG 7 -2.304 11.960 -14.253 67 HH21 ARG 7 1HH2 ARG 7 -0.751 14.076 -11.943 68 HH22 ARG 7 2HH2 ARG 7 -1.079 13.790 -13.618 69 H GLU 8 H GLU 8 0.201 8.379 -9.913 70 HA GLU 8 HA GLU 8 2.467 8.142 -8.299 71 HB2 GLU 8 1HB GLU 8 2.803 5.604 -8.733 72 HB3 GLU 8 2HB GLU 8 1.801 6.115 -7.381 73 HG2 GLU 8 1HG GLU 8 -0.204 5.754 -8.746 74 HG3 GLU 8 2HG GLU 8 0.815 5.201 -10.073 75 H ARG 9 H ARG 9 4.317 7.016 -9.545 76 HA ARG 9 HA ARG 9 4.572 8.253 -12.043 77 HB2 ARG 9 1HB ARG 9 6.372 7.315 -10.395 78 HB3 ARG 9 2HB ARG 9 6.190 5.835 -11.326 79 HG2 ARG 9 1HG ARG 9 6.619 8.337 -12.845 80 HG3 ARG 9 2HG ARG 9 7.984 7.701 -11.924 81 HD2 ARG 9 1HD ARG 9 7.515 5.474 -13.041 82 HD3 ARG 9 2HD ARG 9 6.426 6.351 -14.116 83 HE ARG 9 HE ARG 9 8.895 7.652 -14.138 84 HH11 ARG 9 1HH1 ARG 9 7.512 4.608 -15.106 85 HH12 ARG 9 2HH1 ARG 9 8.630 4.365 -16.407 86 HH21 ARG 9 1HH2 ARG 9 10.373 7.344 -15.848 87 HH22 ARG 9 2HH2 ARG 9 10.257 5.922 -16.827 88 H THR 10 H THR 10 3.335 5.134 -11.138 89 HA THR 10 HA THR 10 2.086 4.700 -13.620 90 HB THR 10 HB THR 10 4.493 4.231 -14.259 91 HG1 THR 10 HG1 THR 10 3.863 2.300 -15.395 92 HG21 THR 10 3HG2 THR 10 4.626 2.847 -11.939 93 HG22 THR 10 1HG2 THR 10 5.707 2.579 -13.305 94 HG23 THR 10 2HG2 THR 10 4.302 1.538 -13.075 95 H THR 11 H THR 11 1.763 2.027 -13.741 96 HA THR 11 HA THR 11 -0.120 1.420 -11.851 97 HB THR 11 HB THR 11 0.203 -0.972 -12.436 98 HG1 THR 11 HG1 THR 11 1.869 -1.154 -14.259 99 HG21 THR 11 3HG2 THR 11 -0.983 0.786 -13.910 100 HG22 THR 11 1HG2 THR 11 -0.577 -0.772 -14.628 101 HG23 THR 11 2HG2 THR 11 0.428 0.639 -14.958 102 H TYR 12 H TYR 12 3.277 0.338 -11.813 103 HA TYR 12 HA TYR 12 3.405 0.536 -8.958 104 HB2 TYR 12 1HB TYR 12 4.055 -1.952 -8.746 105 HB3 TYR 12 2HB TYR 12 2.344 -1.550 -8.846 106 HD1 TYR 12 HD2 TYR 12 1.098 -1.963 -10.947 107 HD2 TYR 12 HD1 TYR 12 5.129 -3.233 -10.453 108 HE1 TYR 12 HE2 TYR 12 0.849 -3.482 -12.866 109 HE2 TYR 12 HE1 TYR 12 4.891 -4.754 -12.371 110 HH TYR 12 HH TYR 12 3.373 -4.839 -14.475 111 H SER 13 H SER 13 5.300 1.555 -8.866 112 HA SER 13 HA SER 13 7.631 0.247 -10.075 113 HB2 SER 13 1HB SER 13 6.509 2.696 -10.982 114 HB3 SER 13 2HB SER 13 8.027 3.081 -10.171 115 HG SER 13 HG SER 13 9.047 1.544 -11.519 116 H ARG 14 H ARG 14 9.690 0.995 -9.137 117 HA ARG 14 HA ARG 14 9.449 1.205 -6.274 118 HB2 ARG 14 1HB ARG 14 11.946 1.072 -6.330 119 HB3 ARG 14 2HB ARG 14 11.136 -0.269 -7.128 120 HG2 ARG 14 1HG ARG 14 11.717 1.902 -8.959 121 HG3 ARG 14 2HG ARG 14 13.166 1.280 -8.168 122 HD2 ARG 14 1HD ARG 14 11.210 -0.684 -9.236 123 HD3 ARG 14 2HD ARG 14 12.200 0.205 -10.393 124 HE ARG 14 HE ARG 14 13.072 -1.851 -8.578 125 HH11 ARG 14 1HH1 ARG 14 14.037 0.889 -10.496 126 HH12 ARG 14 2HH1 ARG 14 15.690 0.386 -10.619 127 HH21 ARG 14 1HH2 ARG 14 15.246 -2.524 -8.732 128 HH22 ARG 14 2HH2 ARG 14 16.377 -1.556 -9.616 129 H GLN 15 H GLN 15 9.880 3.366 -8.887 130 HA GLN 15 HA GLN 15 11.430 5.398 -7.874 131 HB2 GLN 15 1HB GLN 15 8.952 5.533 -9.589 132 HB3 GLN 15 2HB GLN 15 9.955 6.936 -9.244 133 HG2 GLN 15 1HG GLN 15 10.868 6.312 -11.219 134 HG3 GLN 15 2HG GLN 15 11.863 5.343 -10.133 135 HE21 GLN 15 2HE2 GLN 15 12.065 3.291 -10.643 136 HE22 GLN 15 1HE2 GLN 15 10.970 2.365 -11.606 137 H GLN 16 H GLN 16 7.930 4.951 -7.418 138 HA GLN 16 HA GLN 16 7.428 7.195 -5.866 139 HB2 GLN 16 1HB GLN 16 6.144 4.463 -5.782 140 HB3 GLN 16 2HB GLN 16 5.512 5.867 -4.933 141 HG2 GLN 16 1HG GLN 16 4.340 6.324 -6.751 142 HG3 GLN 16 2HG GLN 16 5.860 6.740 -7.541 143 HE21 GLN 16 2HE2 GLN 16 6.607 5.485 -9.148 144 HE22 GLN 16 1HE2 GLN 16 5.833 4.046 -9.708 145 H LEU 17 H LEU 17 8.832 4.115 -4.977 146 HA LEU 17 HA LEU 17 8.798 4.779 -2.145 147 HB2 LEU 17 1HB LEU 17 9.850 2.391 -3.652 148 HB3 LEU 17 2HB LEU 17 9.942 2.575 -1.901 149 HG LEU 17 HG LEU 17 7.242 2.831 -3.045 150 HD11 LEU 17 1HD1 LEU 17 8.005 1.084 -4.491 151 HD12 LEU 17 2HD1 LEU 17 7.001 0.362 -3.234 152 HD13 LEU 17 3HD1 LEU 17 8.758 0.230 -3.144 153 HD21 LEU 17 3HD2 LEU 17 7.807 0.865 -0.955 154 HD22 LEU 17 1HD2 LEU 17 6.642 2.189 -0.986 155 HD23 LEU 17 2HD2 LEU 17 8.324 2.504 -0.559 156 H GLU 18 H GLU 18 10.772 5.346 -4.803 157 HA GLU 18 HA GLU 18 13.326 5.180 -3.542 158 HB2 GLU 18 1HB GLU 18 12.347 6.509 -6.061 159 HB3 GLU 18 2HB GLU 18 14.015 6.645 -5.524 160 HG2 GLU 18 1HG GLU 18 12.864 3.924 -5.711 161 HG3 GLU 18 2HG GLU 18 13.203 4.774 -7.218 162 H ILE 19 H ILE 19 11.006 7.782 -4.118 163 HA ILE 19 HA ILE 19 12.399 10.017 -3.446 164 HB ILE 19 HB ILE 19 9.628 9.424 -2.405 165 HG12 ILE 19 1HG1 ILE 19 9.525 10.975 -4.762 166 HG13 ILE 19 2HG1 ILE 19 10.607 9.630 -5.104 167 HG21 ILE 19 1HG2 ILE 19 11.126 11.540 -1.778 168 HG22 ILE 19 2HG2 ILE 19 10.458 12.118 -3.304 169 HG23 ILE 19 3HG2 ILE 19 9.378 11.641 -1.994 170 HD11 ILE 19 3HD1 ILE 19 8.006 9.061 -3.787 171 HD12 ILE 19 1HD1 ILE 19 8.026 9.443 -5.509 172 HD13 ILE 19 2HD1 ILE 19 8.953 8.072 -4.898 173 H LEU 20 H LEU 20 11.136 7.581 -1.228 174 HA LEU 20 HA LEU 20 12.208 9.038 1.064 175 HB2 LEU 20 1HB LEU 20 11.013 6.371 1.446 176 HB3 LEU 20 2HB LEU 20 10.790 7.858 2.367 177 HG LEU 20 HG LEU 20 8.688 7.351 1.441 178 HD11 LEU 20 1HD1 LEU 20 9.761 9.716 1.051 179 HD12 LEU 20 2HD1 LEU 20 8.187 9.308 0.369 180 HD13 LEU 20 3HD1 LEU 20 9.627 9.253 -0.646 181 HD21 LEU 20 3HD2 LEU 20 8.379 6.177 -0.423 182 HD22 LEU 20 1HD2 LEU 20 10.134 6.032 -0.527 183 HD23 LEU 20 2HD2 LEU 20 9.305 7.331 -1.385 184 H GLU 21 H GLU 21 12.323 5.656 -0.078 185 HA GLU 21 HA GLU 21 14.342 4.681 1.452 186 HB2 GLU 21 1HB GLU 21 12.984 3.750 -0.708 187 HB3 GLU 21 2HB GLU 21 14.588 3.953 -1.398 188 HG2 GLU 21 1HG GLU 21 13.879 2.310 1.021 189 HG3 GLU 21 2HG GLU 21 14.299 1.701 -0.579 190 H THR 22 H THR 22 14.619 6.952 -1.170 191 HA THR 22 HA THR 22 17.527 6.773 -1.198 192 HB THR 22 HB THR 22 15.765 8.656 -2.773 193 HG1 THR 22 HG1 THR 22 15.590 6.197 -3.051 194 HG21 THR 22 3HG2 THR 22 17.727 8.761 -4.275 195 HG22 THR 22 1HG2 THR 22 18.629 7.767 -3.133 196 HG23 THR 22 2HG2 THR 22 18.079 9.375 -2.660 197 H LEU 23 H LEU 23 15.063 9.298 -0.676 198 HA LEU 23 HA LEU 23 16.945 11.192 0.323 199 HB2 LEU 23 1HB LEU 23 14.725 11.703 -0.749 200 HB3 LEU 23 2HB LEU 23 13.967 11.190 0.757 201 HG LEU 23 HG LEU 23 15.984 13.416 0.670 202 HD11 LEU 23 1HD1 LEU 23 13.109 13.439 -0.080 203 HD12 LEU 23 2HD1 LEU 23 14.452 14.392 -0.710 204 HD13 LEU 23 3HD1 LEU 23 13.743 14.794 0.854 205 HD21 LEU 23 3HD2 LEU 23 14.117 13.880 2.642 206 HD22 LEU 23 1HD2 LEU 23 15.723 13.189 2.874 207 HD23 LEU 23 2HD2 LEU 23 14.326 12.128 2.684 208 H PHE 24 H PHE 24 14.210 9.623 1.996 209 HA PHE 24 HA PHE 24 14.786 10.290 4.569 210 HB2 PHE 24 1HB PHE 24 12.786 9.054 4.035 211 HB3 PHE 24 2HB PHE 24 13.730 7.656 3.529 212 HD1 PHE 24 HD1 PHE 24 13.884 9.827 6.557 213 HD2 PHE 24 HD2 PHE 24 13.321 5.917 4.971 214 HE1 PHE 24 HE1 PHE 24 13.759 8.922 8.841 215 HE2 PHE 24 HE2 PHE 24 13.194 5.006 7.253 216 HZ PHE 24 HZ PHE 24 13.413 6.509 9.192 217 H ASN 25 H ASN 25 16.363 7.837 2.619 218 HA ASN 25 HA ASN 25 17.913 6.803 4.820 219 HB2 ASN 25 1HB ASN 25 17.186 5.441 2.820 220 HB3 ASN 25 2HB ASN 25 18.367 6.337 1.869 221 HD21 ASN 25 2HD2 ASN 25 20.159 5.252 1.568 222 HD22 ASN 25 1HD2 ASN 25 20.902 4.168 2.689 223 H GLU 26 H GLU 26 18.485 8.885 2.012 224 HA GLU 26 HA GLU 26 21.221 9.217 2.200 225 HB2 GLU 26 1HB GLU 26 19.912 10.115 0.350 226 HB3 GLU 26 2HB GLU 26 19.138 11.268 1.429 227 HG2 GLU 26 1HG GLU 26 21.020 12.122 -0.048 228 HG3 GLU 26 2HG GLU 26 21.079 12.536 1.665 229 H THR 27 H THR 27 18.677 11.080 3.839 230 HA THR 27 HA THR 27 20.122 11.440 6.209 231 HB THR 27 HB THR 27 20.146 14.137 5.583 232 HG1 THR 27 HG1 THR 27 20.182 14.064 3.435 233 HG21 THR 27 3HG2 THR 27 22.084 12.010 6.116 234 HG22 THR 27 1HG2 THR 27 21.985 13.642 6.776 235 HG23 THR 27 2HG2 THR 27 22.751 13.368 5.211 236 H GLN 28 H GLN 28 19.125 13.228 7.595 237 HA GLN 28 HA GLN 28 16.234 13.194 7.128 238 HB2 GLN 28 1HB GLN 28 17.552 12.472 9.335 239 HB3 GLN 28 2HB GLN 28 17.380 14.186 9.687 240 HG2 GLN 28 1HG GLN 28 15.109 14.062 9.891 241 HG3 GLN 28 2HG GLN 28 14.978 12.670 8.817 242 HE21 GLN 28 2HE2 GLN 28 14.566 10.803 9.746 243 HE22 GLN 28 1HE2 GLN 28 14.870 10.396 11.397 244 H TYR 29 H TYR 29 17.538 14.970 5.516 245 HA TYR 29 HA TYR 29 17.015 17.584 6.770 246 HB2 TYR 29 1HB TYR 29 18.713 17.034 4.330 247 HB3 TYR 29 2HB TYR 29 18.552 18.565 5.183 248 HD1 TYR 29 HD1 TYR 29 18.781 17.668 7.996 249 HD2 TYR 29 HD2 TYR 29 20.978 16.507 4.542 250 HE1 TYR 29 HE1 TYR 29 20.698 17.080 9.421 251 HE2 TYR 29 HE2 TYR 29 22.901 15.915 5.957 252 HH TYR 29 HH TYR 29 22.674 15.791 9.409 253 HA PRO 30 HA PRO 30 13.642 16.939 3.670 254 HB2 PRO 30 1HB PRO 30 11.701 18.019 5.231 255 HB3 PRO 30 2HB PRO 30 12.176 16.319 5.327 256 HG2 PRO 30 1HG PRO 30 12.979 18.613 7.075 257 HG3 PRO 30 2HG PRO 30 12.521 16.962 7.535 258 HD2 PRO 30 1HD PRO 30 15.100 17.776 7.407 259 HD3 PRO 30 2HD PRO 30 14.605 16.112 7.040 260 H ASP 31 H ASP 31 15.045 18.655 2.645 261 HA ASP 31 HA ASP 31 13.700 21.266 2.860 262 HB2 ASP 31 1HB ASP 31 16.627 20.636 2.762 263 HB3 ASP 31 2HB ASP 31 16.042 22.143 2.061 264 H VAL 32 H VAL 32 14.287 22.641 0.832 265 HA VAL 32 HA VAL 32 13.105 21.501 -1.392 266 HB VAL 32 HB VAL 32 14.349 23.376 -2.677 267 HG11 VAL 32 1HG1 VAL 32 12.900 25.115 -1.418 268 HG12 VAL 32 2HG1 VAL 32 12.107 23.762 -2.228 269 HG13 VAL 32 3HG1 VAL 32 12.347 23.727 -0.481 270 HG21 VAL 32 3HG2 VAL 32 15.789 24.711 -1.605 271 HG22 VAL 32 1HG2 VAL 32 14.771 24.798 -0.167 272 HG23 VAL 32 2HG2 VAL 32 15.870 23.436 -0.390 273 H PHE 33 H PHE 33 16.528 21.707 -0.553 274 HA PHE 33 HA PHE 33 17.613 20.819 -2.968 275 HB2 PHE 33 1HB PHE 33 18.573 21.436 -0.398 276 HB3 PHE 33 2HB PHE 33 19.108 19.791 -0.724 277 HD1 PHE 33 HD2 PHE 33 18.817 22.976 -2.655 278 HD2 PHE 33 HD1 PHE 33 21.225 19.638 -1.569 279 HE1 PHE 33 HE2 PHE 33 20.652 23.853 -4.040 280 HE2 PHE 33 HE1 PHE 33 23.064 20.510 -2.951 281 HZ PHE 33 HZ PHE 33 22.778 22.620 -4.190 282 H ALA 34 H ALA 34 15.908 19.114 -0.504 283 HA ALA 34 HA ALA 34 16.840 16.503 -1.363 284 HB1 ALA 34 1HB ALA 34 14.511 16.711 0.440 285 HB2 ALA 34 2HB ALA 34 15.943 15.687 0.545 286 HB3 ALA 34 3HB ALA 34 16.031 17.378 1.038 287 H ARG 35 H ARG 35 13.592 17.948 -1.018 288 HA ARG 35 HA ARG 35 12.225 16.092 -2.557 289 HB2 ARG 35 1HB ARG 35 10.514 17.886 -2.861 290 HB3 ARG 35 2HB ARG 35 11.017 17.653 -1.192 291 HG2 ARG 35 1HG ARG 35 12.557 19.590 -1.455 292 HG3 ARG 35 2HG ARG 35 11.859 19.862 -3.053 293 HD2 ARG 35 1HD ARG 35 10.235 21.046 -2.110 294 HD3 ARG 35 2HD ARG 35 9.704 19.597 -1.258 295 HE ARG 35 HE ARG 35 11.710 20.491 0.299 296 HH11 ARG 35 1HH1 ARG 35 8.915 22.049 -1.072 297 HH12 ARG 35 2HH1 ARG 35 8.753 23.190 0.223 298 HH21 ARG 35 1HH2 ARG 35 11.508 21.988 2.009 299 HH22 ARG 35 2HH2 ARG 35 10.230 23.154 1.974 300 H GLU 36 H GLU 36 13.728 19.146 -3.567 301 HA GLU 36 HA GLU 36 12.942 19.038 -6.262 302 HB2 GLU 36 1HB GLU 36 13.833 21.063 -5.160 303 HB3 GLU 36 2HB GLU 36 15.420 20.309 -5.085 304 HG2 GLU 36 1HG GLU 36 15.733 20.447 -7.384 305 HG3 GLU 36 2HG GLU 36 14.014 20.672 -7.700 306 H ARG 37 H ARG 37 15.450 17.406 -4.516 307 HA ARG 37 HA ARG 37 17.002 16.679 -6.814 308 HB2 ARG 37 1HB ARG 37 18.026 16.822 -4.597 309 HB3 ARG 37 2HB ARG 37 16.975 15.539 -4.014 310 HG2 ARG 37 1HG ARG 37 18.117 14.295 -6.109 311 HG3 ARG 37 2HG ARG 37 19.418 15.395 -5.646 312 HD2 ARG 37 1HD ARG 37 19.101 14.558 -3.280 313 HD3 ARG 37 2HD ARG 37 18.065 13.303 -3.958 314 HE ARG 37 HE ARG 37 19.944 12.194 -4.613 315 HH11 ARG 37 1HH1 ARG 37 20.750 15.547 -4.130 316 HH12 ARG 37 2HH1 ARG 37 22.444 15.314 -4.406 317 HH21 ARG 37 1HH2 ARG 37 22.173 11.875 -4.977 318 HH22 ARG 37 2HH2 ARG 37 23.253 13.225 -4.888 319 H VAL 38 H VAL 38 15.103 14.679 -4.546 320 HA VAL 38 HA VAL 38 15.071 12.359 -6.066 321 HB VAL 38 HB VAL 38 12.892 11.856 -4.829 322 HG11 VAL 38 1HG1 VAL 38 14.081 11.670 -2.634 323 HG12 VAL 38 2HG1 VAL 38 14.966 11.004 -4.008 324 HG13 VAL 38 3HG1 VAL 38 15.414 12.577 -3.347 325 HG21 VAL 38 3HG2 VAL 38 12.045 13.324 -3.262 326 HG22 VAL 38 1HG2 VAL 38 13.554 14.227 -3.138 327 HG23 VAL 38 2HG2 VAL 38 12.522 14.425 -4.554 328 H ALA 39 H ALA 39 13.282 15.286 -6.472 329 HA ALA 39 HA ALA 39 11.051 14.402 -7.883 330 HB1 ALA 39 1HB ALA 39 11.856 16.830 -9.058 331 HB2 ALA 39 2HB ALA 39 10.659 16.583 -7.787 332 HB3 ALA 39 3HB ALA 39 12.341 16.900 -7.363 333 H ASP 40 H ASP 40 14.373 14.748 -8.886 334 HA ASP 40 HA ASP 40 13.751 14.427 -11.697 335 HB2 ASP 40 1HB ASP 40 15.711 15.783 -10.663 336 HB3 ASP 40 2HB ASP 40 16.510 14.219 -10.526 337 H GLN 41 H GLN 41 14.287 12.416 -9.015 338 HA GLN 41 HA GLN 41 15.409 10.189 -10.441 339 HB2 GLN 41 1HB GLN 41 14.189 10.436 -7.690 340 HB3 GLN 41 2HB GLN 41 14.873 8.942 -8.319 341 HG2 GLN 41 1HG GLN 41 16.532 11.416 -8.321 342 HG3 GLN 41 2HG GLN 41 16.291 10.533 -6.815 343 HE21 GLN 41 2HE2 GLN 41 17.019 8.365 -6.684 344 HE22 GLN 41 1HE2 GLN 41 18.278 7.791 -7.718 345 H ILE 42 H ILE 42 12.223 10.868 -8.998 346 HA ILE 42 HA ILE 42 11.078 8.588 -10.399 347 HB ILE 42 HB ILE 42 9.151 8.855 -9.090 348 HG12 ILE 42 1HG1 ILE 42 10.110 11.613 -8.299 349 HG13 ILE 42 2HG1 ILE 42 8.896 11.297 -9.534 350 HG21 ILE 42 1HG2 ILE 42 11.323 9.833 -7.252 351 HG22 ILE 42 2HG2 ILE 42 9.944 8.808 -6.857 352 HG23 ILE 42 3HG2 ILE 42 11.248 8.182 -7.867 353 HD11 ILE 42 3HD1 ILE 42 7.683 10.025 -7.617 354 HD12 ILE 42 1HD1 ILE 42 8.711 11.009 -6.576 355 HD13 ILE 42 2HD1 ILE 42 7.601 11.784 -7.707 356 H ARG 43 H ARG 43 11.675 11.791 -11.071 357 HA ARG 43 HA ARG 43 11.076 13.130 -12.815 358 HB2 ARG 43 1HB ARG 43 10.745 10.676 -13.849 359 HB3 ARG 43 2HB ARG 43 9.074 11.222 -13.893 360 HG2 ARG 43 1HG ARG 43 11.418 12.628 -15.156 361 HG3 ARG 43 2HG ARG 43 10.212 11.655 -16.000 362 HD2 ARG 43 1HD ARG 43 9.537 14.092 -14.366 363 HD3 ARG 43 2HD ARG 43 9.858 14.143 -16.099 364 HE ARG 43 HE ARG 43 7.919 12.244 -15.820 365 HH11 ARG 43 1HH1 ARG 43 8.239 15.587 -14.903 366 HH12 ARG 43 2HH1 ARG 43 6.543 15.919 -15.026 367 HH21 ARG 43 1HH2 ARG 43 5.684 12.668 -15.985 368 HH22 ARG 43 2HH2 ARG 43 5.091 14.258 -15.641 369 H LEU 44 H LEU 44 9.952 13.867 -10.601 370 HA LEU 44 HA LEU 44 7.213 14.572 -11.365 371 HB2 LEU 44 1HB LEU 44 7.222 12.662 -9.732 372 HB3 LEU 44 2HB LEU 44 7.963 13.755 -8.566 373 HG LEU 44 HG LEU 44 5.977 15.162 -8.595 374 HD11 LEU 44 1HD1 LEU 44 5.058 15.041 -10.709 375 HD12 LEU 44 2HD1 LEU 44 3.928 14.076 -9.760 376 HD13 LEU 44 3HD1 LEU 44 5.142 13.280 -10.762 377 HD21 LEU 44 3HD2 LEU 44 6.164 13.175 -7.076 378 HD22 LEU 44 1HD2 LEU 44 5.163 12.286 -8.224 379 HD23 LEU 44 2HD2 LEU 44 4.514 13.708 -7.406 380 H GLN 45 H GLN 45 6.370 16.413 -10.037 381 HA GLN 45 HA GLN 45 8.069 18.607 -10.172 382 HB2 GLN 45 1HB GLN 45 5.370 18.077 -9.298 383 HB3 GLN 45 2HB GLN 45 6.147 19.232 -8.223 384 HG2 GLN 45 1HG GLN 45 5.849 19.476 -11.207 385 HG3 GLN 45 2HG GLN 45 4.976 20.391 -9.979 386 HE21 GLN 45 2HE2 GLN 45 7.419 20.558 -12.127 387 HE22 GLN 45 1HE2 GLN 45 8.385 21.788 -11.393 388 H GLU 46 H GLU 46 9.030 19.913 -8.542 389 HA GLU 46 HA GLU 46 10.405 18.412 -6.552 390 HB2 GLU 46 1HB GLU 46 11.361 20.607 -5.894 391 HB3 GLU 46 2HB GLU 46 11.512 20.274 -7.613 392 HG2 GLU 46 1HG GLU 46 9.186 21.614 -7.611 393 HG3 GLU 46 2HG GLU 46 9.965 22.350 -6.211 394 H SER 47 H SER 47 7.822 20.834 -6.451 395 HA SER 47 HA SER 47 7.607 20.686 -3.578 396 HB2 SER 47 1HB SER 47 7.132 22.758 -4.975 397 HB3 SER 47 2HB SER 47 5.636 21.969 -5.474 398 HG SER 47 HG SER 47 6.414 22.655 -2.833 399 H ARG 48 H ARG 48 6.267 19.055 -6.285 400 HA ARG 48 HA ARG 48 3.878 18.152 -4.963 401 HB2 ARG 48 1HB ARG 48 3.995 18.413 -7.416 402 HB3 ARG 48 2HB ARG 48 5.201 17.135 -7.484 403 HG2 ARG 48 1HG ARG 48 3.200 16.094 -8.077 404 HG3 ARG 48 2HG ARG 48 3.443 15.650 -6.386 405 HD2 ARG 48 1HD ARG 48 1.130 16.278 -6.776 406 HD3 ARG 48 2HD ARG 48 1.913 17.440 -5.706 407 HE ARG 48 HE ARG 48 1.629 19.059 -7.305 408 HH11 ARG 48 1HH1 ARG 48 1.059 15.928 -8.715 409 HH12 ARG 48 2HH1 ARG 48 0.448 16.565 -10.206 410 HH21 ARG 48 1HH2 ARG 48 0.827 19.911 -9.263 411 HH22 ARG 48 2HH2 ARG 48 0.317 18.831 -10.517 412 H ILE 49 H ILE 49 7.004 16.708 -5.827 413 HA ILE 49 HA ILE 49 6.581 14.118 -4.964 414 HB ILE 49 HB ILE 49 8.707 15.353 -6.004 415 HG12 ILE 49 1HG1 ILE 49 8.906 12.874 -4.279 416 HG13 ILE 49 2HG1 ILE 49 8.257 12.911 -5.915 417 HG21 ILE 49 1HG2 ILE 49 10.482 15.687 -4.508 418 HG22 ILE 49 2HG2 ILE 49 9.092 16.449 -3.735 419 HG23 ILE 49 3HG2 ILE 49 9.642 14.864 -3.193 420 HD11 ILE 49 3HD1 ILE 49 10.840 12.364 -5.240 421 HD12 ILE 49 1HD1 ILE 49 10.285 12.881 -6.833 422 HD13 ILE 49 2HD1 ILE 49 10.923 14.067 -5.693 423 H GLN 50 H GLN 50 6.923 17.001 -3.096 424 HA GLN 50 HA GLN 50 7.826 16.002 -0.662 425 HB2 GLN 50 1HB GLN 50 6.815 18.436 -1.615 426 HB3 GLN 50 2HB GLN 50 5.769 17.995 -0.272 427 HG2 GLN 50 1HG GLN 50 7.728 17.760 1.172 428 HG3 GLN 50 2HG GLN 50 8.769 18.219 -0.175 429 HE21 GLN 50 2HE2 GLN 50 8.503 19.519 2.376 430 HE22 GLN 50 1HE2 GLN 50 7.966 21.131 2.064 431 H VAL 51 H VAL 51 4.550 16.122 -1.991 432 HA VAL 51 HA VAL 51 3.210 15.179 0.303 433 HB VAL 51 HB VAL 51 1.310 14.857 -1.059 434 HG11 VAL 51 1HG1 VAL 51 2.351 16.926 -2.823 435 HG12 VAL 51 2HG1 VAL 51 1.057 17.003 -1.625 436 HG13 VAL 51 3HG1 VAL 51 2.736 17.209 -1.126 437 HG21 VAL 51 3HG2 VAL 51 3.309 14.318 -3.185 438 HG22 VAL 51 1HG2 VAL 51 1.800 13.486 -2.810 439 HG23 VAL 51 2HG2 VAL 51 1.768 15.024 -3.672 440 H TRP 52 H TRP 52 4.873 13.548 -2.310 441 HA TRP 52 HA TRP 52 3.908 10.934 -1.523 442 HB2 TRP 52 1HB TRP 52 5.518 12.046 -3.740 443 HB3 TRP 52 2HB TRP 52 5.926 10.403 -3.253 444 HD1 TRP 52 HD1 TRP 52 3.903 8.558 -3.438 445 HE1 TRP 52 HE1 TRP 52 1.914 8.450 -5.068 446 HE3 TRP 52 HE3 TRP 52 3.903 13.412 -5.042 447 HZ2 TRP 52 HZ2 TRP 52 0.529 10.192 -6.804 448 HZ3 TRP 52 HZ3 TRP 52 2.214 14.110 -6.689 449 HH2 TRP 52 HH2 TRP 52 0.563 12.532 -7.551 450 H PHE 53 H PHE 53 6.491 13.018 -0.711 451 HA PHE 53 HA PHE 53 8.523 11.225 -0.054 452 HB2 PHE 53 1HB PHE 53 8.896 13.630 -0.094 453 HB3 PHE 53 2HB PHE 53 7.791 13.850 1.259 454 HD1 PHE 53 HD2 PHE 53 10.651 11.542 0.600 455 HD2 PHE 53 HD1 PHE 53 8.916 14.475 3.151 456 HE1 PHE 53 HE2 PHE 53 12.528 11.283 2.169 457 HE2 PHE 53 HE1 PHE 53 10.791 14.221 4.724 458 HZ PHE 53 HZ PHE 53 12.600 12.622 4.235 459 H LYS 54 H LYS 54 5.480 11.739 1.416 460 HA LYS 54 HA LYS 54 6.264 10.620 3.979 461 HB2 LYS 54 1HB LYS 54 4.323 12.399 3.266 462 HB3 LYS 54 2HB LYS 54 3.394 10.910 3.380 463 HG2 LYS 54 1HG LYS 54 4.901 10.838 5.664 464 HG3 LYS 54 2HG LYS 54 4.560 12.560 5.480 465 HD2 LYS 54 1HD LYS 54 2.158 12.024 5.254 466 HD3 LYS 54 2HD LYS 54 2.534 10.323 5.534 467 HE2 LYS 54 1HE LYS 54 3.765 11.605 7.642 468 HE3 LYS 54 2HE LYS 54 2.273 12.520 7.428 469 HZ1 LYS 54 3HZ LYS 54 2.648 9.910 8.506 470 HZ2 LYS 54 1HZ LYS 54 1.523 9.891 7.242 471 HZ3 LYS 54 2HZ LYS 54 1.286 10.912 8.570 472 H ASN 55 H ASN 55 5.170 9.513 0.956 473 HA ASN 55 HA ASN 55 3.539 7.405 1.338 474 HB2 ASN 55 1HB ASN 55 4.302 7.777 -0.863 475 HB3 ASN 55 2HB ASN 55 5.993 7.623 -0.394 476 HD21 ASN 55 2HD2 ASN 55 3.201 5.566 0.306 477 HD22 ASN 55 1HD2 ASN 55 3.850 4.140 -0.422 478 H ARG 56 H ARG 56 7.060 6.853 1.328 479 HA ARG 56 HA ARG 56 6.699 4.487 2.964 480 HB2 ARG 56 1HB ARG 56 8.356 4.889 0.947 481 HB3 ARG 56 2HB ARG 56 9.392 5.538 2.210 482 HG2 ARG 56 1HG ARG 56 8.360 3.066 3.128 483 HG3 ARG 56 2HG ARG 56 8.957 2.833 1.484 484 HD2 ARG 56 1HD ARG 56 10.727 2.413 3.088 485 HD3 ARG 56 2HD ARG 56 11.096 3.848 2.133 486 HE ARG 56 HE ARG 56 10.917 5.134 4.034 487 HH11 ARG 56 1HH1 ARG 56 9.730 1.922 4.661 488 HH12 ARG 56 2HH1 ARG 56 9.630 2.152 6.375 489 HH21 ARG 56 1HH2 ARG 56 10.790 5.450 6.289 490 HH22 ARG 56 2HH2 ARG 56 10.233 4.160 7.300 491 H ARG 57 H ARG 57 8.184 7.682 3.225 492 HA ARG 57 HA ARG 57 9.540 7.463 5.603 493 HB2 ARG 57 1HB ARG 57 9.642 9.491 4.312 494 HB3 ARG 57 2HB ARG 57 7.923 9.781 4.541 495 HG2 ARG 57 1HG ARG 57 9.225 11.244 5.956 496 HG3 ARG 57 2HG ARG 57 8.305 10.104 6.939 497 HD2 ARG 57 1HD ARG 57 10.309 8.709 7.176 498 HD3 ARG 57 2HD ARG 57 11.222 9.867 6.211 499 HE ARG 57 HE ARG 57 10.478 10.117 8.978 500 HH11 ARG 57 1HH1 ARG 57 11.386 11.826 6.084 501 HH12 ARG 57 2HH1 ARG 57 11.976 13.215 6.934 502 HH21 ARG 57 1HH2 ARG 57 11.253 11.941 10.108 503 HH22 ARG 57 2HH2 ARG 57 11.901 13.279 9.222 504 H ALA 58 H ALA 58 6.095 7.614 5.075 505 HA ALA 58 HA ALA 58 5.522 7.946 7.905 506 HB1 ALA 58 1HB ALA 58 4.136 9.075 6.203 507 HB2 ALA 58 2HB ALA 58 3.611 7.496 5.616 508 HB3 ALA 58 3HB ALA 58 3.198 8.011 7.251 509 H LYS 59 H LYS 59 5.548 5.433 5.469 510 HA LYS 59 HA LYS 59 4.049 3.469 6.751 511 HB2 LYS 59 1HB LYS 59 5.962 3.596 4.571 512 HB3 LYS 59 2HB LYS 59 6.124 2.100 5.481 513 HG2 LYS 59 1HG LYS 59 4.603 1.770 3.650 514 HG3 LYS 59 2HG LYS 59 3.714 1.684 5.173 515 HD2 LYS 59 1HD LYS 59 3.475 4.316 4.615 516 HD3 LYS 59 2HD LYS 59 3.542 3.649 2.982 517 HE2 LYS 59 1HE LYS 59 1.689 2.626 5.125 518 HE3 LYS 59 2HE LYS 59 1.238 3.874 3.965 519 HZ1 LYS 59 3HZ LYS 59 0.481 1.943 2.983 520 HZ2 LYS 59 1HZ LYS 59 1.811 1.024 3.483 521 HZ3 LYS 59 2HZ LYS 59 1.983 2.149 2.232 522 H TYR 60 H TYR 60 7.146 4.739 7.524 523 HA TYR 60 HA TYR 60 8.429 2.660 8.793 524 HB2 TYR 60 1HB TYR 60 9.782 4.248 9.773 525 HB3 TYR 60 2HB TYR 60 9.074 5.194 8.469 526 HD1 TYR 60 HD1 TYR 60 6.806 6.417 9.133 527 HD2 TYR 60 HD2 TYR 60 9.794 5.165 11.890 528 HE1 TYR 60 HE1 TYR 60 5.976 8.057 10.768 529 HE2 TYR 60 HE2 TYR 60 8.972 6.800 13.533 530 HH TYR 60 HH TYR 60 7.529 9.219 13.156 531 H ARG 61 H ARG 61 5.643 4.471 9.838 532 HA ARG 61 HA ARG 61 5.728 3.533 12.554 533 HB2 ARG 61 1HB ARG 61 3.668 4.694 12.856 534 HB3 ARG 61 2HB ARG 61 4.671 5.696 11.816 535 HG2 ARG 61 1HG ARG 61 3.369 4.393 9.918 536 HG3 ARG 61 2HG ARG 61 2.171 4.228 11.203 537 HD2 ARG 61 1HD ARG 61 3.358 6.802 10.174 538 HD3 ARG 61 2HD ARG 61 1.724 6.211 9.875 539 HE ARG 61 HE ARG 61 2.278 6.453 12.661 540 HH11 ARG 61 1HH1 ARG 61 1.408 8.254 9.812 541 HH12 ARG 61 2HH1 ARG 61 0.616 9.517 10.694 542 HH21 ARG 61 1HH2 ARG 61 1.237 8.110 13.833 543 HH22 ARG 61 2HH2 ARG 61 0.519 9.435 12.981 544 H LEU 62 H LEU 62 4.142 2.580 9.572 545 HA LEU 62 HA LEU 62 2.380 0.686 10.778 546 HB2 LEU 62 1HB LEU 62 2.348 1.863 8.420 547 HB3 LEU 62 2HB LEU 62 3.258 0.431 7.944 548 HG LEU 62 HG LEU 62 0.895 0.170 7.443 549 HD11 LEU 62 1HD1 LEU 62 1.514 -1.595 9.791 550 HD12 LEU 62 2HD1 LEU 62 2.353 -1.750 8.248 551 HD13 LEU 62 3HD1 LEU 62 0.607 -1.984 8.330 552 HD21 LEU 62 3HD2 LEU 62 0.585 1.352 10.041 553 HD22 LEU 62 1HD2 LEU 62 -0.275 -0.187 9.965 554 HD23 LEU 62 2HD2 LEU 62 -0.623 1.077 8.784 555 H GLN 63 H GLN 63 5.362 0.326 8.856 556 HA GLN 63 HA GLN 63 5.583 -2.453 9.131 557 HB2 GLN 63 1HB GLN 63 7.916 -2.164 8.455 558 HB3 GLN 63 2HB GLN 63 6.846 -1.178 7.467 559 HG2 GLN 63 1HG GLN 63 7.592 0.794 8.381 560 HG3 GLN 63 2HG GLN 63 8.141 0.020 9.867 561 HE21 GLN 63 2HE2 GLN 63 10.219 0.644 9.909 562 HE22 GLN 63 1HE2 GLN 63 11.382 0.267 8.689 563 H GLU 64 H GLU 64 6.183 0.083 11.361 564 HA GLU 64 HA GLU 64 8.160 -0.928 12.999 565 HB2 GLU 64 1HB GLU 64 6.815 1.283 13.152 566 HB3 GLU 64 2HB GLU 64 5.704 0.360 14.153 567 HG2 GLU 64 1HG GLU 64 8.640 0.509 14.745 568 HG3 GLU 64 2HG GLU 64 7.493 1.708 15.340 569 H LYS 65 H LYS 65 4.794 -1.873 12.753 570 HA LYS 65 HA LYS 65 5.267 -3.949 14.791 571 HB2 LYS 65 1HB LYS 65 2.751 -4.000 14.987 572 HB3 LYS 65 2HB LYS 65 3.523 -2.529 15.564 573 HG2 LYS 65 1HG LYS 65 2.575 -2.593 12.752 574 HG3 LYS 65 2HG LYS 65 1.373 -2.470 14.039 575 HD2 LYS 65 1HD LYS 65 3.132 -0.617 14.876 576 HD3 LYS 65 2HD LYS 65 3.400 -0.519 13.134 577 HE2 LYS 65 1HE LYS 65 0.790 -0.173 14.601 578 HE3 LYS 65 2HE LYS 65 1.707 1.071 13.753 579 HZ1 LYS 65 3HZ LYS 65 0.442 0.585 12.008 580 HZ2 LYS 65 1HZ LYS 65 -0.163 -0.826 12.719 581 HZ3 LYS 65 2HZ LYS 65 1.302 -0.866 11.875 582 H GLN 66 H GLN 66 4.154 -3.258 11.557 583 HA GLN 66 HA GLN 66 2.908 -5.623 10.861 584 HB2 GLN 66 1HB GLN 66 3.797 -3.353 9.519 585 HB3 GLN 66 2HB GLN 66 4.655 -4.675 8.740 586 HG2 GLN 66 1HG GLN 66 2.282 -5.778 8.692 587 HG3 GLN 66 2HG GLN 66 1.738 -4.108 8.848 588 HE21 GLN 66 2HE2 GLN 66 0.909 -5.200 6.664 589 HE22 GLN 66 1HE2 GLN 66 1.830 -4.736 5.278 590 H LYS 67 H LYS 67 6.341 -4.862 10.242 591 HA LYS 67 HA LYS 67 7.033 -7.518 9.565 592 HB2 LYS 67 1HB LYS 67 8.956 -5.454 10.623 593 HB3 LYS 67 2HB LYS 67 9.282 -6.765 9.497 594 HG2 LYS 67 1HG LYS 67 7.801 -5.628 7.850 595 HG3 LYS 67 2HG LYS 67 7.686 -4.269 8.970 596 HD2 LYS 67 1HD LYS 67 10.234 -5.346 7.762 597 HD3 LYS 67 2HD LYS 67 9.388 -3.884 7.248 598 HE2 LYS 67 1HE LYS 67 10.908 -2.938 8.651 599 HE3 LYS 67 2HE LYS 67 9.641 -3.294 9.823 600 HZ1 LYS 67 3HZ LYS 67 10.945 -4.740 10.871 601 HZ2 LYS 67 1HZ LYS 67 12.234 -4.103 9.979 602 HZ3 LYS 67 2HZ LYS 67 11.435 -5.491 9.437 603 HA PRO 68 HA PRO 68 7.584 -9.491 13.449 604 HB2 PRO 68 1HB PRO 68 9.655 -11.158 12.898 605 HB3 PRO 68 2HB PRO 68 8.022 -11.416 12.272 606 HG2 PRO 68 1HG PRO 68 10.399 -10.202 10.917 607 HG3 PRO 68 2HG PRO 68 9.215 -11.357 10.278 608 HD2 PRO 68 1HD PRO 68 9.111 -8.708 9.727 609 HD3 PRO 68 2HD PRO 68 7.654 -9.714 9.855 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.387 -0.962 0.817 2 HA2 GLY 1 1HA GLY 1 3.485 -0.862 -0.820 3 HA3 GLY 1 2HA GLY 1 1.855 -0.667 -1.448 4 HA PRO 2 HA PRO 2 4.523 3.125 -2.320 5 HB2 PRO 2 1HB PRO 2 4.511 2.909 -5.026 6 HB3 PRO 2 2HB PRO 2 5.742 2.153 -4.008 7 HG2 PRO 2 1HG PRO 2 3.304 0.938 -5.248 8 HG3 PRO 2 2HG PRO 2 4.948 0.283 -5.138 9 HD2 PRO 2 1HD PRO 2 2.959 -0.485 -3.469 10 HD3 PRO 2 2HD PRO 2 4.659 -0.417 -2.961 11 H ARG 3 H ARG 3 2.406 3.934 -1.465 12 HA ARG 3 HA ARG 3 1.164 5.621 -3.354 13 HB2 ARG 3 1HB ARG 3 0.041 3.551 -4.043 14 HB3 ARG 3 2HB ARG 3 -0.515 3.298 -2.394 15 HG2 ARG 3 1HG ARG 3 -1.910 5.247 -2.503 16 HG3 ARG 3 2HG ARG 3 -1.256 5.674 -4.085 17 HD2 ARG 3 1HD ARG 3 -3.437 4.633 -4.321 18 HD3 ARG 3 2HD ARG 3 -2.185 3.606 -5.017 19 HE ARG 3 HE ARG 3 -2.688 2.883 -2.326 20 HH11 ARG 3 1HH1 ARG 3 -4.034 2.665 -5.529 21 HH12 ARG 3 2HH1 ARG 3 -4.907 1.204 -5.204 22 HH21 ARG 3 1HH2 ARG 3 -3.833 0.959 -1.886 23 HH22 ARG 3 2HH2 ARG 3 -4.792 0.235 -3.131 24 H LYS 4 H LYS 4 0.068 7.264 -2.363 25 HA LYS 4 HA LYS 4 -0.471 6.997 0.515 26 HB2 LYS 4 1HB LYS 4 1.709 8.255 -0.136 27 HB3 LYS 4 2HB LYS 4 0.624 9.549 -0.628 28 HG2 LYS 4 1HG LYS 4 0.306 8.382 2.088 29 HG3 LYS 4 2HG LYS 4 1.656 9.476 1.782 30 HD2 LYS 4 1HD LYS 4 -1.061 10.286 0.874 31 HD3 LYS 4 2HD LYS 4 -0.690 10.374 2.597 32 HE2 LYS 4 1HE LYS 4 1.215 11.803 2.141 33 HE3 LYS 4 2HE LYS 4 0.940 11.656 0.406 34 HZ1 LYS 4 3HZ LYS 4 -0.711 13.151 0.457 35 HZ2 LYS 4 1HZ LYS 4 -0.006 13.650 1.912 36 HZ3 LYS 4 2HZ LYS 4 -1.331 12.599 1.931 37 H ASN 5 H ASN 5 -1.076 8.776 -2.477 38 HA ASN 5 HA ASN 5 -3.837 9.176 -1.638 39 HB2 ASN 5 1HB ASN 5 -1.878 11.283 -1.648 40 HB3 ASN 5 2HB ASN 5 -3.105 11.611 -2.869 41 HD21 ASN 5 2HD2 ASN 5 -2.465 12.823 -0.209 42 HD22 ASN 5 1HD2 ASN 5 -3.969 12.822 0.643 43 H ARG 6 H ARG 6 -1.733 10.412 -4.239 44 HA ARG 6 HA ARG 6 -2.742 8.679 -6.229 45 HB2 ARG 6 1HB ARG 6 -4.000 10.411 -7.543 46 HB3 ARG 6 2HB ARG 6 -4.800 9.879 -6.070 47 HG2 ARG 6 1HG ARG 6 -3.211 12.107 -5.387 48 HG3 ARG 6 2HG ARG 6 -4.079 12.514 -6.869 49 HD2 ARG 6 1HD ARG 6 -6.187 11.891 -5.820 50 HD3 ARG 6 2HD ARG 6 -5.332 11.430 -4.349 51 HE ARG 6 HE ARG 6 -4.657 14.063 -4.854 52 HH11 ARG 6 1HH1 ARG 6 -7.548 12.241 -4.186 53 HH12 ARG 6 2HH1 ARG 6 -8.357 13.561 -3.408 54 HH21 ARG 6 1HH2 ARG 6 -5.711 15.808 -3.832 55 HH22 ARG 6 2HH2 ARG 6 -7.311 15.590 -3.208 56 H ARG 7 H ARG 7 -2.360 9.911 -8.521 57 HA ARG 7 HA ARG 7 -0.801 10.713 -9.970 58 HB2 ARG 7 1HB ARG 7 0.292 12.347 -7.683 59 HB3 ARG 7 2HB ARG 7 0.392 12.696 -9.404 60 HG2 ARG 7 1HG ARG 7 -2.171 12.644 -7.826 61 HG3 ARG 7 2HG ARG 7 -1.241 14.101 -8.184 62 HD2 ARG 7 1HD ARG 7 -1.496 13.621 -10.597 63 HD3 ARG 7 2HD ARG 7 -2.508 12.236 -10.187 64 HE ARG 7 HE ARG 7 -3.495 14.624 -9.004 65 HH11 ARG 7 1HH1 ARG 7 -3.319 12.883 -12.014 66 HH12 ARG 7 2HH1 ARG 7 -4.769 13.583 -12.653 67 HH21 ARG 7 1HH2 ARG 7 -5.405 15.552 -9.835 68 HH22 ARG 7 2HH2 ARG 7 -5.955 15.101 -11.414 69 H GLU 8 H GLU 8 0.058 8.500 -9.845 70 HA GLU 8 HA GLU 8 2.677 8.384 -8.504 71 HB2 GLU 8 1HB GLU 8 2.467 5.930 -8.646 72 HB3 GLU 8 2HB GLU 8 1.161 6.658 -7.722 73 HG2 GLU 8 1HG GLU 8 -0.251 6.535 -9.782 74 HG3 GLU 8 2HG GLU 8 1.043 5.604 -10.535 75 H ARG 9 H ARG 9 4.380 7.187 -9.647 76 HA ARG 9 HA ARG 9 4.805 8.179 -12.231 77 HB2 ARG 9 1HB ARG 9 6.471 7.242 -10.437 78 HB3 ARG 9 2HB ARG 9 6.208 5.715 -11.269 79 HG2 ARG 9 1HG ARG 9 6.875 8.061 -12.943 80 HG3 ARG 9 2HG ARG 9 8.156 7.399 -11.925 81 HD2 ARG 9 1HD ARG 9 7.488 5.125 -12.903 82 HD3 ARG 9 2HD ARG 9 6.614 6.054 -14.121 83 HE ARG 9 HE ARG 9 9.192 7.070 -14.027 84 HH11 ARG 9 1HH1 ARG 9 7.628 4.057 -14.799 85 HH12 ARG 9 2HH1 ARG 9 8.838 3.572 -15.941 86 HH21 ARG 9 1HH2 ARG 9 10.791 6.442 -15.527 87 HH22 ARG 9 2HH2 ARG 9 10.637 4.928 -16.353 88 H THR 10 H THR 10 3.397 5.189 -11.100 89 HA THR 10 HA THR 10 2.107 4.651 -13.540 90 HB THR 10 HB THR 10 4.490 4.053 -14.167 91 HG1 THR 10 HG1 THR 10 3.776 2.198 -15.273 92 HG21 THR 10 3HG2 THR 10 5.635 2.381 -13.150 93 HG22 THR 10 1HG2 THR 10 4.179 1.449 -12.803 94 HG23 THR 10 2HG2 THR 10 4.617 2.817 -11.778 95 H THR 11 H THR 11 1.691 1.985 -13.493 96 HA THR 11 HA THR 11 -0.189 1.572 -11.540 97 HB THR 11 HB THR 11 1.358 -0.807 -12.473 98 HG1 THR 11 HG1 THR 11 0.804 -0.513 -14.535 99 HG21 THR 11 3HG2 THR 11 -1.605 -0.252 -12.485 100 HG22 THR 11 1HG2 THR 11 -0.751 -0.935 -11.102 101 HG23 THR 11 2HG2 THR 11 -0.799 -1.813 -12.631 102 H TYR 12 H TYR 12 3.145 0.304 -11.513 103 HA TYR 12 HA TYR 12 3.366 0.673 -8.681 104 HB2 TYR 12 1HB TYR 12 3.904 -1.873 -8.400 105 HB3 TYR 12 2HB TYR 12 2.235 -1.318 -8.327 106 HD1 TYR 12 HD1 TYR 12 4.726 -3.099 -10.358 107 HD2 TYR 12 HD2 TYR 12 0.657 -1.894 -10.056 108 HE1 TYR 12 HE1 TYR 12 4.137 -4.657 -12.168 109 HE2 TYR 12 HE2 TYR 12 0.056 -3.449 -11.864 110 HH TYR 12 HH TYR 12 0.810 -4.881 -13.387 111 H SER 13 H SER 13 5.326 1.559 -8.682 112 HA SER 13 HA SER 13 7.530 0.043 -9.887 113 HB2 SER 13 1HB SER 13 7.002 1.809 -11.483 114 HB3 SER 13 2HB SER 13 7.085 3.021 -10.205 115 HG SER 13 HG SER 13 9.078 1.957 -11.676 116 H ARG 14 H ARG 14 9.687 0.860 -9.094 117 HA ARG 14 HA ARG 14 9.576 1.065 -6.222 118 HB2 ARG 14 1HB ARG 14 12.071 0.964 -6.396 119 HB3 ARG 14 2HB ARG 14 11.239 -0.390 -7.149 120 HG2 ARG 14 1HG ARG 14 11.705 1.782 -9.013 121 HG3 ARG 14 2HG ARG 14 13.198 1.174 -8.294 122 HD2 ARG 14 1HD ARG 14 11.218 -0.820 -9.243 123 HD3 ARG 14 2HD ARG 14 12.108 0.087 -10.465 124 HE ARG 14 HE ARG 14 13.915 -0.906 -8.558 125 HH11 ARG 14 1HH1 ARG 14 11.826 -2.017 -11.112 126 HH12 ARG 14 2HH1 ARG 14 12.798 -3.402 -11.481 127 HH21 ARG 14 1HH2 ARG 14 15.203 -2.727 -9.035 128 HH22 ARG 14 2HH2 ARG 14 14.718 -3.806 -10.299 129 H GLN 15 H GLN 15 9.924 3.223 -8.866 130 HA GLN 15 HA GLN 15 11.471 5.272 -7.873 131 HB2 GLN 15 1HB GLN 15 8.942 5.488 -9.515 132 HB3 GLN 15 2HB GLN 15 10.108 6.786 -9.290 133 HG2 GLN 15 1HG GLN 15 10.432 4.217 -10.793 134 HG3 GLN 15 2HG GLN 15 10.617 5.871 -11.374 135 HE21 GLN 15 2HE2 GLN 15 12.583 6.738 -11.393 136 HE22 GLN 15 1HE2 GLN 15 13.989 6.046 -10.666 137 H GLN 16 H GLN 16 7.973 4.807 -7.406 138 HA GLN 16 HA GLN 16 7.462 7.055 -5.865 139 HB2 GLN 16 1HB GLN 16 6.190 4.318 -5.707 140 HB3 GLN 16 2HB GLN 16 5.538 5.765 -4.950 141 HG2 GLN 16 1HG GLN 16 4.854 6.665 -6.929 142 HG3 GLN 16 2HG GLN 16 6.100 5.839 -7.863 143 HE21 GLN 16 2HE2 GLN 16 5.601 4.001 -8.878 144 HE22 GLN 16 1HE2 GLN 16 4.096 3.165 -8.734 145 H LEU 17 H LEU 17 8.896 3.993 -4.965 146 HA LEU 17 HA LEU 17 8.860 4.668 -2.136 147 HB2 LEU 17 1HB LEU 17 9.966 2.283 -3.611 148 HB3 LEU 17 2HB LEU 17 9.982 2.476 -1.859 149 HG LEU 17 HG LEU 17 7.309 2.759 -2.946 150 HD11 LEU 17 1HD1 LEU 17 7.088 0.307 -3.462 151 HD12 LEU 17 2HD1 LEU 17 8.848 0.246 -3.552 152 HD13 LEU 17 3HD1 LEU 17 7.942 1.264 -4.672 153 HD21 LEU 17 3HD2 LEU 17 7.815 2.405 -0.590 154 HD22 LEU 17 1HD2 LEU 17 8.556 0.850 -0.971 155 HD23 LEU 17 2HD2 LEU 17 6.826 1.088 -1.224 156 H GLU 18 H GLU 18 10.822 5.242 -4.800 157 HA GLU 18 HA GLU 18 13.380 5.101 -3.541 158 HB2 GLU 18 1HB GLU 18 12.386 6.400 -6.071 159 HB3 GLU 18 2HB GLU 18 14.053 6.559 -5.536 160 HG2 GLU 18 1HG GLU 18 12.948 3.821 -5.685 161 HG3 GLU 18 2HG GLU 18 13.243 4.657 -7.208 162 H ILE 19 H ILE 19 11.032 7.674 -4.122 163 HA ILE 19 HA ILE 19 12.405 9.929 -3.477 164 HB ILE 19 HB ILE 19 9.647 9.310 -2.416 165 HG12 ILE 19 1HG1 ILE 19 9.513 10.855 -4.775 166 HG13 ILE 19 2HG1 ILE 19 10.611 9.524 -5.120 167 HG21 ILE 19 1HG2 ILE 19 10.424 12.013 -3.326 168 HG22 ILE 19 2HG2 ILE 19 9.381 11.519 -1.994 169 HG23 ILE 19 3HG2 ILE 19 11.134 11.450 -1.813 170 HD11 ILE 19 3HD1 ILE 19 8.982 7.945 -4.908 171 HD12 ILE 19 1HD1 ILE 19 8.027 8.918 -3.789 172 HD13 ILE 19 2HD1 ILE 19 8.031 9.302 -5.510 173 H LEU 20 H LEU 20 11.179 7.500 -1.230 174 HA LEU 20 HA LEU 20 12.251 8.984 1.043 175 HB2 LEU 20 1HB LEU 20 11.097 6.303 1.452 176 HB3 LEU 20 2HB LEU 20 10.858 7.792 2.363 177 HG LEU 20 HG LEU 20 8.757 7.252 1.456 178 HD11 LEU 20 1HD1 LEU 20 9.657 9.141 -0.659 179 HD12 LEU 20 2HD1 LEU 20 9.799 9.626 1.030 180 HD13 LEU 20 3HD1 LEU 20 8.224 9.191 0.367 181 HD21 LEU 20 3HD2 LEU 20 8.454 6.049 -0.390 182 HD22 LEU 20 1HD2 LEU 20 10.210 5.932 -0.510 183 HD23 LEU 20 2HD2 LEU 20 9.350 7.207 -1.374 184 H GLU 21 H GLU 21 12.407 5.597 -0.079 185 HA GLU 21 HA GLU 21 14.449 4.660 1.444 186 HB2 GLU 21 1HB GLU 21 13.095 3.704 -0.712 187 HB3 GLU 21 2HB GLU 21 14.700 3.916 -1.399 188 HG2 GLU 21 1HG GLU 21 15.479 2.641 0.732 189 HG3 GLU 21 2HG GLU 21 13.802 2.103 0.788 190 H THR 22 H THR 22 14.680 6.916 -1.196 191 HA THR 22 HA THR 22 17.590 6.782 -1.236 192 HB THR 22 HB THR 22 15.794 8.628 -2.816 193 HG1 THR 22 HG1 THR 22 16.403 6.959 -4.501 194 HG21 THR 22 3HG2 THR 22 17.771 8.681 -4.346 195 HG22 THR 22 1HG2 THR 22 18.681 7.802 -3.118 196 HG23 THR 22 2HG2 THR 22 18.061 9.416 -2.769 197 H LEU 23 H LEU 23 15.096 9.283 -0.736 198 HA LEU 23 HA LEU 23 16.947 11.212 0.240 199 HB2 LEU 23 1HB LEU 23 14.706 11.673 -0.813 200 HB3 LEU 23 2HB LEU 23 13.973 11.156 0.704 201 HG LEU 23 HG LEU 23 15.942 13.425 0.573 202 HD11 LEU 23 1HD1 LEU 23 13.689 14.762 0.786 203 HD12 LEU 23 2HD1 LEU 23 13.043 13.380 -0.098 204 HD13 LEU 23 3HD1 LEU 23 14.351 14.338 -0.793 205 HD21 LEU 23 3HD2 LEU 23 15.734 13.179 2.783 206 HD22 LEU 23 1HD2 LEU 23 14.331 12.122 2.624 207 HD23 LEU 23 2HD2 LEU 23 14.125 13.873 2.582 208 H PHE 24 H PHE 24 14.260 9.606 1.955 209 HA PHE 24 HA PHE 24 14.845 10.302 4.516 210 HB2 PHE 24 1HB PHE 24 12.871 9.014 4.013 211 HB3 PHE 24 2HB PHE 24 13.843 7.637 3.504 212 HD1 PHE 24 HD1 PHE 24 12.622 9.563 6.368 213 HD2 PHE 24 HD2 PHE 24 14.849 6.161 5.110 214 HE1 PHE 24 HE1 PHE 24 12.542 8.668 8.659 215 HE2 PHE 24 HE2 PHE 24 14.772 5.260 7.398 216 HZ PHE 24 HZ PHE 24 13.617 6.513 9.176 217 H ASN 25 H ASN 25 16.435 7.831 2.588 218 HA ASN 25 HA ASN 25 18.006 6.799 4.747 219 HB2 ASN 25 1HB ASN 25 17.459 5.432 2.774 220 HB3 ASN 25 2HB ASN 25 18.396 6.524 1.758 221 HD21 ASN 25 2HD2 ASN 25 20.364 5.877 1.314 222 HD22 ASN 25 1HD2 ASN 25 21.336 4.824 2.279 223 H GLU 26 H GLU 26 18.621 9.013 2.043 224 HA GLU 26 HA GLU 26 21.328 9.446 2.401 225 HB2 GLU 26 1HB GLU 26 19.726 10.351 0.588 226 HB3 GLU 26 2HB GLU 26 19.451 11.687 1.697 227 HG2 GLU 26 1HG GLU 26 22.268 11.027 1.151 228 HG3 GLU 26 2HG GLU 26 21.346 11.681 -0.201 229 H THR 27 H THR 27 18.613 11.161 3.922 230 HA THR 27 HA THR 27 19.897 11.526 6.382 231 HB THR 27 HB THR 27 19.846 14.235 5.813 232 HG1 THR 27 HG1 THR 27 19.900 13.999 3.613 233 HG21 THR 27 3HG2 THR 27 21.880 12.171 6.348 234 HG22 THR 27 1HG2 THR 27 21.592 13.714 7.151 235 HG23 THR 27 2HG2 THR 27 22.486 13.664 5.632 236 H GLN 28 H GLN 28 18.748 13.256 7.734 237 HA GLN 28 HA GLN 28 15.893 13.107 7.097 238 HB2 GLN 28 1HB GLN 28 17.101 12.399 9.366 239 HB3 GLN 28 2HB GLN 28 16.855 14.101 9.733 240 HG2 GLN 28 1HG GLN 28 14.538 13.909 9.661 241 HG3 GLN 28 2HG GLN 28 14.598 12.392 8.765 242 HE21 GLN 28 2HE2 GLN 28 15.704 10.578 9.966 243 HE22 GLN 28 1HE2 GLN 28 15.324 10.416 11.643 244 H TYR 29 H TYR 29 17.232 14.965 5.596 245 HA TYR 29 HA TYR 29 16.512 17.532 6.849 246 HB2 TYR 29 1HB TYR 29 18.392 17.083 4.524 247 HB3 TYR 29 2HB TYR 29 18.098 18.602 5.362 248 HD1 TYR 29 HD1 TYR 29 18.195 17.767 8.180 249 HD2 TYR 29 HD2 TYR 29 20.641 16.608 4.897 250 HE1 TYR 29 HE1 TYR 29 20.035 17.268 9.735 251 HE2 TYR 29 HE2 TYR 29 22.487 16.105 6.442 252 HH TYR 29 HH TYR 29 22.875 17.187 9.257 253 HA PRO 30 HA PRO 30 13.370 16.804 3.536 254 HB2 PRO 30 1HB PRO 30 11.297 17.798 4.980 255 HB3 PRO 30 2HB PRO 30 11.827 16.116 5.093 256 HG2 PRO 30 1HG PRO 30 12.435 18.420 6.905 257 HG3 PRO 30 2HG PRO 30 12.010 16.750 7.323 258 HD2 PRO 30 1HD PRO 30 14.561 17.658 7.363 259 HD3 PRO 30 2HD PRO 30 14.150 15.980 6.954 260 H ASP 31 H ASP 31 14.746 18.569 2.588 261 HA ASP 31 HA ASP 31 13.326 21.143 2.776 262 HB2 ASP 31 1HB ASP 31 16.295 20.765 2.329 263 HB3 ASP 31 2HB ASP 31 15.444 22.306 2.379 264 H VAL 32 H VAL 32 13.954 22.548 0.774 265 HA VAL 32 HA VAL 32 12.843 21.416 -1.488 266 HB VAL 32 HB VAL 32 13.926 23.305 -2.757 267 HG11 VAL 32 1HG1 VAL 32 12.780 25.086 -1.216 268 HG12 VAL 32 2HG1 VAL 32 11.815 23.848 -2.023 269 HG13 VAL 32 3HG1 VAL 32 12.243 23.665 -0.321 270 HG21 VAL 32 3HG2 VAL 32 15.131 23.821 -0.046 271 HG22 VAL 32 1HG2 VAL 32 15.967 23.600 -1.584 272 HG23 VAL 32 2HG2 VAL 32 15.010 25.054 -1.301 273 H PHE 33 H PHE 33 16.271 21.761 -0.650 274 HA PHE 33 HA PHE 33 17.394 20.842 -3.019 275 HB2 PHE 33 1HB PHE 33 18.313 21.504 -0.445 276 HB3 PHE 33 2HB PHE 33 18.884 19.866 -0.747 277 HD1 PHE 33 HD2 PHE 33 18.496 22.920 -2.860 278 HD2 PHE 33 HD1 PHE 33 21.070 19.850 -1.422 279 HE1 PHE 33 HE2 PHE 33 20.329 23.819 -4.233 280 HE2 PHE 33 HE1 PHE 33 22.908 20.745 -2.792 281 HZ PHE 33 HZ PHE 33 22.538 22.730 -4.201 282 H ALA 34 H ALA 34 15.701 19.120 -0.559 283 HA ALA 34 HA ALA 34 16.698 16.523 -1.388 284 HB1 ALA 34 1HB ALA 34 15.807 15.703 0.519 285 HB2 ALA 34 2HB ALA 34 15.847 17.400 0.999 286 HB3 ALA 34 3HB ALA 34 14.351 16.690 0.394 287 H ARG 35 H ARG 35 13.414 17.892 -1.075 288 HA ARG 35 HA ARG 35 12.116 15.993 -2.630 289 HB2 ARG 35 1HB ARG 35 10.344 17.729 -2.924 290 HB3 ARG 35 2HB ARG 35 10.847 17.496 -1.255 291 HG2 ARG 35 1HG ARG 35 12.333 19.487 -1.509 292 HG3 ARG 35 2HG ARG 35 11.595 19.758 -3.089 293 HD2 ARG 35 1HD ARG 35 9.397 19.484 -1.523 294 HD3 ARG 35 2HD ARG 35 10.527 20.226 -0.391 295 HE ARG 35 HE ARG 35 10.391 21.537 -2.951 296 HH11 ARG 35 1HH1 ARG 35 9.045 21.329 0.253 297 HH12 ARG 35 2HH1 ARG 35 8.414 22.942 0.235 298 HH21 ARG 35 1HH2 ARG 35 9.565 23.663 -2.987 299 HH22 ARG 35 2HH2 ARG 35 8.710 24.269 -1.610 300 H GLU 36 H GLU 36 13.503 19.114 -3.603 301 HA GLU 36 HA GLU 36 12.734 19.015 -6.299 302 HB2 GLU 36 1HB GLU 36 13.594 21.037 -5.128 303 HB3 GLU 36 2HB GLU 36 15.201 20.325 -5.144 304 HG2 GLU 36 1HG GLU 36 15.434 20.572 -7.432 305 HG3 GLU 36 2HG GLU 36 13.695 20.701 -7.695 306 H ARG 37 H ARG 37 15.240 17.382 -4.571 307 HA ARG 37 HA ARG 37 16.815 16.732 -6.888 308 HB2 ARG 37 1HB ARG 37 17.845 16.902 -4.667 309 HB3 ARG 37 2HB ARG 37 16.851 15.568 -4.098 310 HG2 ARG 37 1HG ARG 37 17.972 14.274 -6.069 311 HG3 ARG 37 2HG ARG 37 19.197 15.536 -5.931 312 HD2 ARG 37 1HD ARG 37 18.279 14.123 -3.471 313 HD3 ARG 37 2HD ARG 37 19.399 13.307 -4.561 314 HE ARG 37 HE ARG 37 20.566 15.711 -4.186 315 HH11 ARG 37 1HH1 ARG 37 19.314 13.309 -2.000 316 HH12 ARG 37 2HH1 ARG 37 20.434 13.689 -0.734 317 HH21 ARG 37 1HH2 ARG 37 22.046 16.221 -2.527 318 HH22 ARG 37 2HH2 ARG 37 21.987 15.346 -1.035 319 H VAL 38 H VAL 38 15.003 14.671 -4.604 320 HA VAL 38 HA VAL 38 15.021 12.352 -6.120 321 HB VAL 38 HB VAL 38 12.847 11.805 -4.880 322 HG11 VAL 38 1HG1 VAL 38 14.949 10.993 -4.078 323 HG12 VAL 38 2HG1 VAL 38 15.357 12.569 -3.397 324 HG13 VAL 38 3HG1 VAL 38 14.046 11.618 -2.698 325 HG21 VAL 38 3HG2 VAL 38 13.475 14.177 -3.179 326 HG22 VAL 38 1HG2 VAL 38 12.444 14.370 -4.597 327 HG23 VAL 38 2HG2 VAL 38 11.978 13.255 -3.312 328 H ALA 39 H ALA 39 13.149 15.229 -6.528 329 HA ALA 39 HA ALA 39 10.942 14.283 -7.935 330 HB1 ALA 39 1HB ALA 39 11.563 16.700 -9.143 331 HB2 ALA 39 2HB ALA 39 10.536 16.462 -7.729 332 HB3 ALA 39 3HB ALA 39 12.247 16.834 -7.523 333 H ASP 40 H ASP 40 14.253 14.702 -8.942 334 HA ASP 40 HA ASP 40 13.637 14.361 -11.752 335 HB2 ASP 40 1HB ASP 40 15.561 15.768 -10.742 336 HB3 ASP 40 2HB ASP 40 16.396 14.228 -10.564 337 H GLN 41 H GLN 41 14.215 12.368 -9.066 338 HA GLN 41 HA GLN 41 15.382 10.162 -10.491 339 HB2 GLN 41 1HB GLN 41 14.187 10.408 -7.730 340 HB3 GLN 41 2HB GLN 41 14.867 8.912 -8.356 341 HG2 GLN 41 1HG GLN 41 16.447 11.458 -8.248 342 HG3 GLN 41 2HG GLN 41 16.354 10.346 -6.883 343 HE21 GLN 41 2HE2 GLN 41 17.019 8.112 -7.294 344 HE22 GLN 41 1HE2 GLN 41 18.303 7.824 -8.412 345 H ILE 42 H ILE 42 12.191 10.779 -9.030 346 HA ILE 42 HA ILE 42 11.086 8.470 -10.418 347 HB ILE 42 HB ILE 42 9.161 8.699 -9.096 348 HG12 ILE 42 1HG1 ILE 42 10.075 11.471 -8.300 349 HG13 ILE 42 2HG1 ILE 42 8.863 11.140 -9.534 350 HG21 ILE 42 1HG2 ILE 42 11.347 9.706 -7.287 351 HG22 ILE 42 2HG2 ILE 42 9.974 8.685 -6.861 352 HG23 ILE 42 3HG2 ILE 42 11.262 8.049 -7.885 353 HD11 ILE 42 3HD1 ILE 42 8.685 10.907 -6.582 354 HD12 ILE 42 1HD1 ILE 42 7.525 11.556 -7.742 355 HD13 ILE 42 2HD1 ILE 42 7.723 9.811 -7.573 356 H ARG 43 H ARG 43 11.642 11.653 -11.140 357 HA ARG 43 HA ARG 43 10.987 12.988 -12.864 358 HB2 ARG 43 1HB ARG 43 10.883 10.704 -14.040 359 HB3 ARG 43 2HB ARG 43 9.143 10.801 -13.798 360 HG2 ARG 43 1HG ARG 43 9.724 11.557 -16.015 361 HG3 ARG 43 2HG ARG 43 9.099 12.904 -15.061 362 HD2 ARG 43 1HD ARG 43 11.314 13.746 -14.690 363 HD3 ARG 43 2HD ARG 43 12.030 12.319 -15.437 364 HE ARG 43 HE ARG 43 10.348 13.536 -17.308 365 HH11 ARG 43 1HH1 ARG 43 13.324 14.171 -15.617 366 HH12 ARG 43 2HH1 ARG 43 13.979 15.166 -16.875 367 HH21 ARG 43 1HH2 ARG 43 11.199 14.844 -18.972 368 HH22 ARG 43 2HH2 ARG 43 12.769 15.549 -18.782 369 H LEU 44 H LEU 44 9.855 13.698 -10.643 370 HA LEU 44 HA LEU 44 7.094 14.331 -11.395 371 HB2 LEU 44 1HB LEU 44 7.148 12.438 -9.755 372 HB3 LEU 44 2HB LEU 44 7.898 13.540 -8.602 373 HG LEU 44 HG LEU 44 5.899 14.916 -8.575 374 HD11 LEU 44 1HD1 LEU 44 5.128 14.681 -10.828 375 HD12 LEU 44 2HD1 LEU 44 3.856 14.115 -9.746 376 HD13 LEU 44 3HD1 LEU 44 4.861 12.951 -10.609 377 HD21 LEU 44 3HD2 LEU 44 4.419 13.393 -7.445 378 HD22 LEU 44 1HD2 LEU 44 6.086 12.962 -7.062 379 HD23 LEU 44 2HD2 LEU 44 5.176 12.008 -8.234 380 H GLN 45 H GLN 45 6.214 16.160 -10.076 381 HA GLN 45 HA GLN 45 7.848 18.398 -10.243 382 HB2 GLN 45 1HB GLN 45 5.178 17.795 -9.300 383 HB3 GLN 45 2HB GLN 45 5.945 19.010 -8.286 384 HG2 GLN 45 1HG GLN 45 5.820 19.205 -11.282 385 HG3 GLN 45 2HG GLN 45 4.595 19.883 -10.210 386 HE21 GLN 45 2HE2 GLN 45 7.845 20.139 -11.380 387 HE22 GLN 45 1HE2 GLN 45 8.181 21.700 -10.720 388 H GLU 46 H GLU 46 8.787 19.746 -8.632 389 HA GLU 46 HA GLU 46 10.226 18.294 -6.646 390 HB2 GLU 46 1HB GLU 46 11.167 20.494 -6.038 391 HB3 GLU 46 2HB GLU 46 11.253 20.184 -7.766 392 HG2 GLU 46 1HG GLU 46 8.988 21.494 -7.804 393 HG3 GLU 46 2HG GLU 46 9.577 22.133 -6.271 394 H SER 47 H SER 47 7.551 20.607 -6.561 395 HA SER 47 HA SER 47 7.384 20.504 -3.676 396 HB2 SER 47 1HB SER 47 5.462 22.018 -3.955 397 HB3 SER 47 2HB SER 47 6.863 22.594 -4.858 398 HG SER 47 HG SER 47 4.938 22.683 -6.097 399 H ARG 48 H ARG 48 6.057 18.818 -6.356 400 HA ARG 48 HA ARG 48 3.703 17.872 -5.001 401 HB2 ARG 48 1HB ARG 48 3.803 18.116 -7.462 402 HB3 ARG 48 2HB ARG 48 5.020 16.848 -7.523 403 HG2 ARG 48 1HG ARG 48 2.861 15.957 -8.119 404 HG3 ARG 48 2HG ARG 48 3.394 15.264 -6.586 405 HD2 ARG 48 1HD ARG 48 1.026 15.874 -6.522 406 HD3 ARG 48 2HD ARG 48 1.970 16.819 -5.371 407 HE ARG 48 HE ARG 48 1.623 18.122 -7.904 408 HH11 ARG 48 1HH1 ARG 48 0.203 17.532 -4.781 409 HH12 ARG 48 2HH1 ARG 48 -0.771 18.964 -4.809 410 HH21 ARG 48 1HH2 ARG 48 0.345 20.011 -7.953 411 HH22 ARG 48 2HH2 ARG 48 -0.691 20.373 -6.614 412 H ILE 49 H ILE 49 6.863 16.508 -5.865 413 HA ILE 49 HA ILE 49 6.510 13.911 -4.986 414 HB ILE 49 HB ILE 49 8.597 15.194 -6.045 415 HG12 ILE 49 1HG1 ILE 49 8.864 12.733 -4.305 416 HG13 ILE 49 2HG1 ILE 49 8.217 12.743 -5.942 417 HG21 ILE 49 1HG2 ILE 49 9.586 14.736 -3.252 418 HG22 ILE 49 2HG2 ILE 49 10.358 15.614 -4.571 419 HG23 ILE 49 3HG2 ILE 49 8.950 16.300 -3.760 420 HD11 ILE 49 3HD1 ILE 49 10.246 12.759 -6.857 421 HD12 ILE 49 1HD1 ILE 49 10.850 13.970 -5.727 422 HD13 ILE 49 2HD1 ILE 49 10.814 12.269 -5.261 423 H GLN 50 H GLN 50 6.772 16.814 -3.141 424 HA GLN 50 HA GLN 50 7.717 15.855 -0.703 425 HB2 GLN 50 1HB GLN 50 6.653 18.258 -1.668 426 HB3 GLN 50 2HB GLN 50 5.609 17.802 -0.328 427 HG2 GLN 50 1HG GLN 50 7.625 17.565 1.094 428 HG3 GLN 50 2HG GLN 50 8.593 18.173 -0.248 429 HE21 GLN 50 2HE2 GLN 50 8.741 19.501 2.059 430 HE22 GLN 50 1HE2 GLN 50 7.901 21.008 1.968 431 H VAL 51 H VAL 51 4.426 15.904 -2.007 432 HA VAL 51 HA VAL 51 3.122 14.940 0.295 433 HB VAL 51 HB VAL 51 1.224 14.560 -1.058 434 HG11 VAL 51 1HG1 VAL 51 0.894 16.645 -1.943 435 HG12 VAL 51 2HG1 VAL 51 2.332 16.948 -0.966 436 HG13 VAL 51 3HG1 VAL 51 2.483 16.695 -2.705 437 HG21 VAL 51 3HG2 VAL 51 1.675 14.728 -3.674 438 HG22 VAL 51 1HG2 VAL 51 3.229 14.054 -3.183 439 HG23 VAL 51 2HG2 VAL 51 1.736 13.194 -2.806 440 H TRP 52 H TRP 52 4.808 13.327 -2.315 441 HA TRP 52 HA TRP 52 3.911 10.699 -1.500 442 HB2 TRP 52 1HB TRP 52 5.627 11.784 -3.690 443 HB3 TRP 52 2HB TRP 52 5.808 10.090 -3.244 444 HD1 TRP 52 HD1 TRP 52 3.207 12.533 -4.679 445 HE1 TRP 52 HE1 TRP 52 1.411 11.168 -5.919 446 HE3 TRP 52 HE3 TRP 52 4.744 7.826 -3.408 447 HZ2 TRP 52 HZ2 TRP 52 0.736 8.455 -6.307 448 HZ3 TRP 52 HZ3 TRP 52 3.468 5.899 -4.254 449 HH2 TRP 52 HH2 TRP 52 1.505 6.210 -5.673 450 H PHE 53 H PHE 53 6.455 12.849 -0.732 451 HA PHE 53 HA PHE 53 8.530 11.107 -0.072 452 HB2 PHE 53 1HB PHE 53 8.840 13.525 -0.143 453 HB3 PHE 53 2HB PHE 53 7.755 13.726 1.229 454 HD1 PHE 53 HD2 PHE 53 10.610 11.415 0.580 455 HD2 PHE 53 HD1 PHE 53 8.947 14.459 3.046 456 HE1 PHE 53 HE2 PHE 53 12.521 11.210 2.116 457 HE2 PHE 53 HE1 PHE 53 10.856 14.260 4.586 458 HZ PHE 53 HZ PHE 53 12.646 12.633 4.122 459 H LYS 54 H LYS 54 5.490 11.580 1.422 460 HA LYS 54 HA LYS 54 6.322 10.496 3.987 461 HB2 LYS 54 1HB LYS 54 4.351 12.245 3.287 462 HB3 LYS 54 2HB LYS 54 3.441 10.746 3.418 463 HG2 LYS 54 1HG LYS 54 4.984 10.712 5.685 464 HG3 LYS 54 2HG LYS 54 4.595 12.423 5.497 465 HD2 LYS 54 1HD LYS 54 2.209 11.838 5.319 466 HD3 LYS 54 2HD LYS 54 2.622 10.140 5.568 467 HE2 LYS 54 1HE LYS 54 3.861 11.403 7.677 468 HE3 LYS 54 2HE LYS 54 2.359 12.310 7.497 469 HZ1 LYS 54 3HZ LYS 54 1.374 10.677 8.600 470 HZ2 LYS 54 1HZ LYS 54 2.763 9.711 8.562 471 HZ3 LYS 54 2HZ LYS 54 1.658 9.656 7.282 472 H ASN 55 H ASN 55 5.203 9.351 0.986 473 HA ASN 55 HA ASN 55 3.605 7.225 1.404 474 HB2 ASN 55 1HB ASN 55 4.381 7.643 -0.808 475 HB3 ASN 55 2HB ASN 55 6.061 7.398 -0.341 476 HD21 ASN 55 2HD2 ASN 55 6.752 5.664 -1.366 477 HD22 ASN 55 1HD2 ASN 55 5.937 4.142 -1.445 478 H ARG 56 H ARG 56 7.134 6.724 1.364 479 HA ARG 56 HA ARG 56 6.822 4.364 3.019 480 HB2 ARG 56 1HB ARG 56 8.449 4.760 0.986 481 HB3 ARG 56 2HB ARG 56 9.488 5.457 2.222 482 HG2 ARG 56 1HG ARG 56 8.506 2.969 3.181 483 HG3 ARG 56 2HG ARG 56 9.132 2.737 1.547 484 HD2 ARG 56 1HD ARG 56 11.271 3.361 2.134 485 HD3 ARG 56 2HD ARG 56 10.725 4.319 3.510 486 HE ARG 56 HE ARG 56 10.084 1.753 4.174 487 HH11 ARG 56 1HH1 ARG 56 13.006 3.387 3.221 488 HH12 ARG 56 2HH1 ARG 56 14.044 2.338 4.129 489 HH21 ARG 56 1HH2 ARG 56 11.439 0.366 5.374 490 HH22 ARG 56 2HH2 ARG 56 13.152 0.619 5.353 491 H ARG 57 H ARG 57 8.280 7.575 3.242 492 HA ARG 57 HA ARG 57 9.655 7.395 5.609 493 HB2 ARG 57 1HB ARG 57 9.729 9.418 4.323 494 HB3 ARG 57 2HB ARG 57 8.001 9.676 4.527 495 HG2 ARG 57 1HG ARG 57 9.549 9.502 7.020 496 HG3 ARG 57 2HG ARG 57 9.904 10.894 5.995 497 HD2 ARG 57 1HD ARG 57 7.273 11.047 5.887 498 HD3 ARG 57 2HD ARG 57 7.388 10.156 7.404 499 HE ARG 57 HE ARG 57 9.075 12.483 7.291 500 HH11 ARG 57 1HH1 ARG 57 5.894 11.279 8.038 501 HH12 ARG 57 2HH1 ARG 57 5.513 12.580 9.117 502 HH21 ARG 57 1HH2 ARG 57 8.585 14.200 8.709 503 HH22 ARG 57 2HH2 ARG 57 7.044 14.241 9.497 504 H ALA 58 H ALA 58 6.201 7.504 5.115 505 HA ALA 58 HA ALA 58 5.652 7.842 7.949 506 HB1 ALA 58 1HB ALA 58 3.750 7.375 5.655 507 HB2 ALA 58 2HB ALA 58 3.308 7.827 7.303 508 HB3 ALA 58 3HB ALA 58 4.221 8.949 6.295 509 H LYS 59 H LYS 59 5.663 5.314 5.522 510 HA LYS 59 HA LYS 59 4.220 3.340 6.855 511 HB2 LYS 59 1HB LYS 59 6.071 3.476 4.622 512 HB3 LYS 59 2HB LYS 59 6.271 1.986 5.534 513 HG2 LYS 59 1HG LYS 59 4.706 1.614 3.761 514 HG3 LYS 59 2HG LYS 59 3.844 1.567 5.300 515 HD2 LYS 59 1HD LYS 59 3.557 4.166 4.723 516 HD3 LYS 59 2HD LYS 59 3.681 3.524 3.084 517 HE2 LYS 59 1HE LYS 59 1.438 3.303 3.369 518 HE3 LYS 59 2HE LYS 59 1.945 1.765 4.067 519 HZ1 LYS 59 3HZ LYS 59 1.908 3.950 5.944 520 HZ2 LYS 59 1HZ LYS 59 1.282 2.385 6.092 521 HZ3 LYS 59 2HZ LYS 59 0.387 3.583 5.302 522 H TYR 60 H TYR 60 7.326 4.645 7.530 523 HA TYR 60 HA TYR 60 8.677 2.596 8.766 524 HB2 TYR 60 1HB TYR 60 10.023 4.210 9.711 525 HB3 TYR 60 2HB TYR 60 9.250 5.153 8.441 526 HD1 TYR 60 HD1 TYR 60 6.991 6.330 9.183 527 HD2 TYR 60 HD2 TYR 60 10.067 5.085 11.846 528 HE1 TYR 60 HE1 TYR 60 6.176 7.932 10.863 529 HE2 TYR 60 HE2 TYR 60 9.260 6.682 13.534 530 HH TYR 60 HH TYR 60 7.474 8.000 14.117 531 H ARG 61 H ARG 61 5.876 4.337 9.887 532 HA ARG 61 HA ARG 61 6.048 3.405 12.598 533 HB2 ARG 61 1HB ARG 61 4.910 5.528 11.912 534 HB3 ARG 61 2HB ARG 61 3.653 4.555 11.160 535 HG2 ARG 61 1HG ARG 61 2.911 3.723 13.230 536 HG3 ARG 61 2HG ARG 61 4.357 4.293 14.065 537 HD2 ARG 61 1HD ARG 61 2.371 6.127 12.739 538 HD3 ARG 61 2HD ARG 61 2.276 5.660 14.436 539 HE ARG 61 HE ARG 61 4.808 6.617 14.155 540 HH11 ARG 61 1HH1 ARG 61 1.633 7.873 13.472 541 HH12 ARG 61 2HH1 ARG 61 2.084 9.523 13.749 542 HH21 ARG 61 1HH2 ARG 61 5.413 8.785 14.522 543 HH22 ARG 61 2HH2 ARG 61 4.234 10.041 14.345 544 H LEU 62 H LEU 62 4.283 2.467 9.689 545 HA LEU 62 HA LEU 62 2.635 0.521 10.904 546 HB2 LEU 62 1HB LEU 62 2.608 1.637 8.516 547 HB3 LEU 62 2HB LEU 62 3.552 0.213 8.087 548 HG LEU 62 HG LEU 62 1.200 -0.109 7.565 549 HD11 LEU 62 1HD1 LEU 62 2.720 -1.961 8.495 550 HD12 LEU 62 2HD1 LEU 62 0.982 -2.252 8.441 551 HD13 LEU 62 3HD1 LEU 62 1.756 -1.814 9.964 552 HD21 LEU 62 3HD2 LEU 62 0.031 -0.420 10.105 553 HD22 LEU 62 1HD2 LEU 62 -0.366 0.771 8.866 554 HD23 LEU 62 2HD2 LEU 62 0.829 1.153 10.106 555 H GLN 63 H GLN 63 5.754 0.273 9.221 556 HA GLN 63 HA GLN 63 6.037 -2.504 9.371 557 HB2 GLN 63 1HB GLN 63 8.423 -2.116 9.009 558 HB3 GLN 63 2HB GLN 63 7.454 -1.092 7.958 559 HG2 GLN 63 1HG GLN 63 7.834 0.808 9.406 560 HG3 GLN 63 2HG GLN 63 8.732 -0.206 10.534 561 HE21 GLN 63 2HE2 GLN 63 8.708 0.736 7.116 562 HE22 GLN 63 1HE2 GLN 63 10.425 0.824 6.950 563 H GLU 64 H GLU 64 6.473 -0.032 11.764 564 HA GLU 64 HA GLU 64 8.139 -1.407 13.562 565 HB2 GLU 64 1HB GLU 64 7.276 1.080 13.524 566 HB3 GLU 64 2HB GLU 64 6.003 0.437 14.551 567 HG2 GLU 64 1HG GLU 64 7.932 -0.531 15.957 568 HG3 GLU 64 2HG GLU 64 8.937 0.626 15.086 569 H LYS 65 H LYS 65 4.603 -0.955 13.748 570 HA LYS 65 HA LYS 65 4.153 -2.744 15.835 571 HB2 LYS 65 1HB LYS 65 2.452 -1.169 15.151 572 HB3 LYS 65 2HB LYS 65 2.341 -1.916 13.563 573 HG2 LYS 65 1HG LYS 65 1.866 -3.957 15.436 574 HG3 LYS 65 2HG LYS 65 0.933 -2.555 15.964 575 HD2 LYS 65 1HD LYS 65 0.384 -2.495 13.337 576 HD3 LYS 65 2HD LYS 65 0.652 -4.228 13.540 577 HE2 LYS 65 1HE LYS 65 -1.225 -2.577 15.226 578 HE3 LYS 65 2HE LYS 65 -1.719 -3.531 13.829 579 HZ1 LYS 65 3HZ LYS 65 -2.103 -4.999 15.514 580 HZ2 LYS 65 1HZ LYS 65 -0.831 -4.431 16.474 581 HZ3 LYS 65 2HZ LYS 65 -0.508 -5.418 15.140 582 H GLN 66 H GLN 66 4.343 -3.288 12.360 583 HA GLN 66 HA GLN 66 3.367 -5.885 12.228 584 HB2 GLN 66 1HB GLN 66 4.654 -4.097 10.487 585 HB3 GLN 66 2HB GLN 66 5.636 -5.556 10.473 586 HG2 GLN 66 1HG GLN 66 2.723 -5.944 10.236 587 HG3 GLN 66 2HG GLN 66 3.527 -5.168 8.872 588 HE21 GLN 66 2HE2 GLN 66 5.707 -6.328 8.347 589 HE22 GLN 66 1HE2 GLN 66 5.586 -8.044 8.189 590 H LYS 67 H LYS 67 6.795 -4.915 12.443 591 HA LYS 67 HA LYS 67 7.877 -7.443 12.789 592 HB2 LYS 67 1HB LYS 67 8.755 -4.698 13.608 593 HB3 LYS 67 2HB LYS 67 9.676 -6.097 14.143 594 HG2 LYS 67 1HG LYS 67 9.051 -5.472 11.265 595 HG3 LYS 67 2HG LYS 67 10.556 -5.044 12.084 596 HD2 LYS 67 1HD LYS 67 10.932 -7.441 12.561 597 HD3 LYS 67 2HD LYS 67 9.471 -7.828 11.649 598 HE2 LYS 67 1HE LYS 67 10.526 -6.655 9.685 599 HE3 LYS 67 2HE LYS 67 12.018 -6.591 10.622 600 HZ1 LYS 67 3HZ LYS 67 11.010 -9.216 10.668 601 HZ2 LYS 67 1HZ LYS 67 12.468 -8.656 10.017 602 HZ3 LYS 67 2HZ LYS 67 11.074 -8.691 9.061 603 HA PRO 68 HA PRO 68 6.885 -8.803 16.841 604 HB2 PRO 68 1HB PRO 68 9.201 -9.976 17.637 605 HB3 PRO 68 2HB PRO 68 8.139 -10.680 16.412 606 HG2 PRO 68 1HG PRO 68 10.646 -9.083 16.054 607 HG3 PRO 68 2HG PRO 68 10.121 -10.547 15.203 608 HD2 PRO 68 1HD PRO 68 9.874 -8.072 14.133 609 HD3 PRO 68 2HD PRO 68 8.719 -9.378 13.796 Start of MODEL 3 1 H1 GLY 1 H GLY 1 4.866 -1.051 -1.081 2 HA2 GLY 1 1HA GLY 1 2.540 -1.165 -2.884 3 HA3 GLY 1 2HA GLY 1 2.301 -0.878 -1.167 4 HA PRO 2 HA PRO 2 4.622 3.001 -2.916 5 HB2 PRO 2 1HB PRO 2 4.758 3.192 -5.621 6 HB3 PRO 2 2HB PRO 2 6.012 2.413 -4.648 7 HG2 PRO 2 1HG PRO 2 3.772 1.171 -6.197 8 HG3 PRO 2 2HG PRO 2 5.468 0.666 -6.083 9 HD2 PRO 2 1HD PRO 2 3.494 -0.529 -4.667 10 HD3 PRO 2 2HD PRO 2 5.152 -0.376 -4.052 11 H ARG 3 H ARG 3 2.535 3.692 -2.095 12 HA ARG 3 HA ARG 3 1.171 5.420 -3.817 13 HB2 ARG 3 1HB ARG 3 0.209 2.691 -3.855 14 HB3 ARG 3 2HB ARG 3 -1.035 3.784 -3.262 15 HG2 ARG 3 1HG ARG 3 -0.085 5.140 -5.429 16 HG3 ARG 3 2HG ARG 3 0.058 3.460 -5.949 17 HD2 ARG 3 1HD ARG 3 -2.415 3.503 -4.777 18 HD3 ARG 3 2HD ARG 3 -2.322 5.102 -5.513 19 HE ARG 3 HE ARG 3 -1.545 2.965 -7.273 20 HH11 ARG 3 1HH1 ARG 3 -4.205 4.840 -6.037 21 HH12 ARG 3 2HH1 ARG 3 -5.223 4.541 -7.408 22 HH21 ARG 3 1HH2 ARG 3 -2.875 2.564 -9.082 23 HH22 ARG 3 2HH2 ARG 3 -4.466 3.246 -9.139 24 H LYS 4 H LYS 4 1.217 6.907 -2.213 25 HA LYS 4 HA LYS 4 0.429 6.289 0.480 26 HB2 LYS 4 1HB LYS 4 2.157 8.011 -0.165 27 HB3 LYS 4 2HB LYS 4 0.838 9.020 -0.744 28 HG2 LYS 4 1HG LYS 4 0.580 8.012 2.014 29 HG3 LYS 4 2HG LYS 4 1.867 9.186 1.726 30 HD2 LYS 4 1HD LYS 4 -0.999 9.598 0.888 31 HD3 LYS 4 2HD LYS 4 -0.329 10.179 2.414 32 HE2 LYS 4 1HE LYS 4 1.462 11.021 0.438 33 HE3 LYS 4 2HE LYS 4 -0.142 11.317 -0.229 34 HZ1 LYS 4 3HZ LYS 4 -0.219 12.161 2.406 35 HZ2 LYS 4 1HZ LYS 4 -0.229 13.128 1.018 36 HZ3 LYS 4 2HZ LYS 4 1.235 12.753 1.776 37 H ASN 5 H ASN 5 -1.128 7.467 -2.374 38 HA ASN 5 HA ASN 5 -3.697 7.344 -1.079 39 HB2 ASN 5 1HB ASN 5 -3.072 9.621 -0.490 40 HB3 ASN 5 2HB ASN 5 -2.682 9.978 -2.169 41 HD21 ASN 5 2HD2 ASN 5 -4.184 11.731 -1.944 42 HD22 ASN 5 1HD2 ASN 5 -5.878 11.439 -2.118 43 H ARG 6 H ARG 6 -2.156 8.748 -3.977 44 HA ARG 6 HA ARG 6 -3.946 7.084 -5.616 45 HB2 ARG 6 1HB ARG 6 -3.096 9.863 -6.413 46 HB3 ARG 6 2HB ARG 6 -4.348 8.861 -7.134 47 HG2 ARG 6 1HG ARG 6 -4.456 10.046 -4.368 48 HG3 ARG 6 2HG ARG 6 -5.261 10.703 -5.794 49 HD2 ARG 6 1HD ARG 6 -6.107 8.115 -5.829 50 HD3 ARG 6 2HD ARG 6 -5.983 8.422 -4.097 51 HE ARG 6 HE ARG 6 -7.344 10.546 -5.366 52 HH11 ARG 6 1HH1 ARG 6 -7.761 7.225 -4.410 53 HH12 ARG 6 2HH1 ARG 6 -9.479 7.356 -4.232 54 HH21 ARG 6 1HH2 ARG 6 -9.606 10.731 -5.134 55 HH22 ARG 6 2HH2 ARG 6 -10.528 9.350 -4.645 56 H ARG 7 H ARG 7 -3.006 7.668 -8.099 57 HA ARG 7 HA ARG 7 -0.413 6.368 -8.047 58 HB2 ARG 7 1HB ARG 7 -0.735 5.959 -10.376 59 HB3 ARG 7 2HB ARG 7 -2.275 5.658 -9.582 60 HG2 ARG 7 1HG ARG 7 -2.986 7.952 -10.257 61 HG3 ARG 7 2HG ARG 7 -1.498 8.072 -11.198 62 HD2 ARG 7 1HD ARG 7 -2.151 6.237 -12.587 63 HD3 ARG 7 2HD ARG 7 -3.535 5.882 -11.555 64 HE ARG 7 HE ARG 7 -3.404 7.824 -13.642 65 HH11 ARG 7 1HH1 ARG 7 -4.871 7.101 -10.568 66 HH12 ARG 7 2HH1 ARG 7 -6.274 8.073 -10.862 67 HH21 ARG 7 1HH2 ARG 7 -5.247 9.108 -14.040 68 HH22 ARG 7 2HH2 ARG 7 -6.488 9.214 -12.837 69 H GLU 8 H GLU 8 1.396 7.131 -9.302 70 HA GLU 8 HA GLU 8 1.392 10.013 -9.857 71 HB2 GLU 8 1HB GLU 8 2.350 9.776 -7.639 72 HB3 GLU 8 2HB GLU 8 3.456 8.537 -8.216 73 HG2 GLU 8 1HG GLU 8 3.624 11.074 -9.665 74 HG3 GLU 8 2HG GLU 8 4.054 11.173 -7.958 75 H ARG 9 H ARG 9 3.960 7.560 -9.819 76 HA ARG 9 HA ARG 9 4.799 8.346 -12.463 77 HB2 ARG 9 1HB ARG 9 6.217 7.515 -10.388 78 HB3 ARG 9 2HB ARG 9 5.903 5.934 -11.092 79 HG2 ARG 9 1HG ARG 9 6.966 8.119 -12.819 80 HG3 ARG 9 2HG ARG 9 8.053 7.260 -11.726 81 HD2 ARG 9 1HD ARG 9 7.085 5.122 -12.750 82 HD3 ARG 9 2HD ARG 9 6.442 6.171 -14.013 83 HE ARG 9 HE ARG 9 9.074 6.830 -13.901 84 HH11 ARG 9 1HH1 ARG 9 7.336 3.838 -14.288 85 HH12 ARG 9 2HH1 ARG 9 8.572 3.093 -15.247 86 HH21 ARG 9 1HH2 ARG 9 10.709 5.859 -15.162 87 HH22 ARG 9 2HH2 ARG 9 10.490 4.243 -15.742 88 H THR 10 H THR 10 3.238 5.558 -10.969 89 HA THR 10 HA THR 10 1.883 4.808 -13.315 90 HB THR 10 HB THR 10 4.227 4.100 -13.946 91 HG1 THR 10 HG1 THR 10 3.318 2.535 -15.082 92 HG21 THR 10 3HG2 THR 10 4.421 3.135 -11.440 93 HG22 THR 10 1HG2 THR 10 5.393 2.540 -12.785 94 HG23 THR 10 2HG2 THR 10 3.941 1.668 -12.292 95 H THR 11 H THR 11 1.289 2.248 -13.028 96 HA THR 11 HA THR 11 -0.467 2.086 -10.923 97 HB THR 11 HB THR 11 0.837 -0.438 -11.864 98 HG1 THR 11 HG1 THR 11 -1.098 0.824 -13.477 99 HG21 THR 11 3HG2 THR 11 -1.366 -1.324 -11.733 100 HG22 THR 11 1HG2 THR 11 -2.079 0.285 -11.616 101 HG23 THR 11 2HG2 THR 11 -1.128 -0.358 -10.277 102 H TYR 12 H TYR 12 2.783 0.629 -11.072 103 HA TYR 12 HA TYR 12 3.213 1.082 -8.276 104 HB2 TYR 12 1HB TYR 12 3.655 -1.476 -7.940 105 HB3 TYR 12 2HB TYR 12 2.022 -0.841 -7.776 106 HD1 TYR 12 HD1 TYR 12 4.287 -2.794 -9.912 107 HD2 TYR 12 HD2 TYR 12 0.302 -1.407 -9.363 108 HE1 TYR 12 HE1 TYR 12 3.505 -4.382 -11.621 109 HE2 TYR 12 HE2 TYR 12 -0.491 -2.991 -11.069 110 HH TYR 12 HH TYR 12 1.509 -4.531 -13.218 111 H SER 13 H SER 13 5.210 1.865 -8.428 112 HA SER 13 HA SER 13 7.252 0.214 -9.738 113 HB2 SER 13 1HB SER 13 6.661 2.002 -11.317 114 HB3 SER 13 2HB SER 13 6.981 3.212 -10.075 115 HG SER 13 HG SER 13 8.809 1.497 -11.380 116 H ARG 14 H ARG 14 9.507 1.049 -9.146 117 HA ARG 14 HA ARG 14 9.623 1.230 -6.272 118 HB2 ARG 14 1HB ARG 14 12.087 1.103 -6.628 119 HB3 ARG 14 2HB ARG 14 11.197 -0.223 -7.364 120 HG2 ARG 14 1HG ARG 14 11.608 2.045 -9.153 121 HG3 ARG 14 2HG ARG 14 13.103 1.289 -8.598 122 HD2 ARG 14 1HD ARG 14 10.910 -0.492 -9.506 123 HD3 ARG 14 2HD ARG 14 11.775 0.428 -10.736 124 HE ARG 14 HE ARG 14 12.752 -1.820 -9.263 125 HH11 ARG 14 1HH1 ARG 14 13.686 1.120 -10.877 126 HH12 ARG 14 2HH1 ARG 14 15.299 0.580 -11.207 127 HH21 ARG 14 1HH2 ARG 14 14.872 -2.542 -9.692 128 HH22 ARG 14 2HH2 ARG 14 15.972 -1.504 -10.534 129 H GLN 15 H GLN 15 9.726 3.413 -8.904 130 HA GLN 15 HA GLN 15 11.362 5.450 -7.955 131 HB2 GLN 15 1HB GLN 15 8.813 5.683 -9.564 132 HB3 GLN 15 2HB GLN 15 10.004 6.962 -9.369 133 HG2 GLN 15 1HG GLN 15 10.688 4.286 -10.543 134 HG3 GLN 15 2HG GLN 15 10.094 5.630 -11.516 135 HE21 GLN 15 2HE2 GLN 15 12.213 5.247 -12.566 136 HE22 GLN 15 1HE2 GLN 15 13.588 6.079 -11.933 137 H GLN 16 H GLN 16 7.858 5.025 -7.478 138 HA GLN 16 HA GLN 16 7.390 7.271 -5.917 139 HB2 GLN 16 1HB GLN 16 6.070 4.599 -6.153 140 HB3 GLN 16 2HB GLN 16 5.563 5.688 -4.868 141 HG2 GLN 16 1HG GLN 16 5.735 6.927 -7.517 142 HG3 GLN 16 2HG GLN 16 4.530 5.648 -7.375 143 HE21 GLN 16 2HE2 GLN 16 2.703 6.000 -6.220 144 HE22 GLN 16 1HE2 GLN 16 2.304 7.511 -5.482 145 H LEU 17 H LEU 17 8.761 4.172 -5.044 146 HA LEU 17 HA LEU 17 8.740 4.822 -2.209 147 HB2 LEU 17 1HB LEU 17 9.759 2.431 -3.731 148 HB3 LEU 17 2HB LEU 17 9.864 2.605 -1.980 149 HG LEU 17 HG LEU 17 7.159 2.902 -3.092 150 HD11 LEU 17 1HD1 LEU 17 8.609 0.263 -3.219 151 HD12 LEU 17 2HD1 LEU 17 7.935 1.167 -4.575 152 HD13 LEU 17 3HD1 LEU 17 6.863 0.468 -3.363 153 HD21 LEU 17 3HD2 LEU 17 7.572 2.878 -0.706 154 HD22 LEU 17 1HD2 LEU 17 8.362 1.306 -0.833 155 HD23 LEU 17 2HD2 LEU 17 6.637 1.455 -1.169 156 H GLU 18 H GLU 18 10.715 5.379 -4.868 157 HA GLU 18 HA GLU 18 13.269 5.183 -3.610 158 HB2 GLU 18 1HB GLU 18 12.278 6.469 -6.140 159 HB3 GLU 18 2HB GLU 18 13.935 6.693 -5.597 160 HG2 GLU 18 1HG GLU 18 13.549 3.959 -5.445 161 HG3 GLU 18 2HG GLU 18 12.704 4.433 -6.918 162 H ILE 19 H ILE 19 10.977 7.811 -4.184 163 HA ILE 19 HA ILE 19 12.395 10.029 -3.508 164 HB ILE 19 HB ILE 19 9.615 9.468 -2.472 165 HG12 ILE 19 1HG1 ILE 19 9.534 11.021 -4.829 166 HG13 ILE 19 2HG1 ILE 19 10.602 9.664 -5.170 167 HG21 ILE 19 1HG2 ILE 19 9.398 11.681 -2.044 168 HG22 ILE 19 2HG2 ILE 19 11.148 11.571 -1.855 169 HG23 ILE 19 3HG2 ILE 19 10.459 12.155 -3.370 170 HD11 ILE 19 3HD1 ILE 19 8.932 8.118 -4.940 171 HD12 ILE 19 1HD1 ILE 19 7.978 9.144 -3.868 172 HD13 ILE 19 2HD1 ILE 19 8.036 9.488 -5.598 173 H LEU 20 H LEU 20 11.102 7.605 -1.295 174 HA LEU 20 HA LEU 20 12.182 9.048 1.001 175 HB2 LEU 20 1HB LEU 20 10.965 6.389 1.374 176 HB3 LEU 20 2HB LEU 20 10.753 7.874 2.299 177 HG LEU 20 HG LEU 20 8.648 7.393 1.370 178 HD11 LEU 20 1HD1 LEU 20 9.745 9.746 0.979 179 HD12 LEU 20 2HD1 LEU 20 8.168 9.354 0.294 180 HD13 LEU 20 3HD1 LEU 20 9.610 9.283 -0.718 181 HD21 LEU 20 3HD2 LEU 20 10.084 6.059 -0.598 182 HD22 LEU 20 1HD2 LEU 20 9.263 7.363 -1.455 183 HD23 LEU 20 2HD2 LEU 20 8.330 6.218 -0.491 184 H GLU 21 H GLU 21 12.273 5.667 -0.147 185 HA GLU 21 HA GLU 21 14.282 4.673 1.386 186 HB2 GLU 21 1HB GLU 21 12.924 3.761 -0.784 187 HB3 GLU 21 2HB GLU 21 14.534 3.948 -1.463 188 HG2 GLU 21 1HG GLU 21 15.281 2.641 0.660 189 HG3 GLU 21 2HG GLU 21 13.594 2.134 0.705 190 H THR 22 H THR 22 14.583 6.946 -1.232 191 HA THR 22 HA THR 22 17.490 6.747 -1.250 192 HB THR 22 HB THR 22 15.761 8.658 -2.828 193 HG1 THR 22 HG1 THR 22 15.330 6.361 -3.215 194 HG21 THR 22 3HG2 THR 22 18.008 9.405 -2.843 195 HG22 THR 22 1HG2 THR 22 17.778 8.550 -4.367 196 HG23 THR 22 2HG2 THR 22 18.631 7.767 -3.036 197 H LEU 23 H LEU 23 15.031 9.272 -0.710 198 HA LEU 23 HA LEU 23 16.924 11.160 0.288 199 HB2 LEU 23 1HB LEU 23 14.705 11.679 -0.790 200 HB3 LEU 23 2HB LEU 23 13.946 11.177 0.720 201 HG LEU 23 HG LEU 23 15.975 13.394 0.611 202 HD11 LEU 23 1HD1 LEU 23 14.448 14.413 -0.722 203 HD12 LEU 23 2HD1 LEU 23 13.696 14.746 0.838 204 HD13 LEU 23 3HD1 LEU 23 13.113 13.409 -0.154 205 HD21 LEU 23 3HD2 LEU 23 15.737 13.185 2.818 206 HD22 LEU 23 1HD2 LEU 23 14.348 12.112 2.649 207 HD23 LEU 23 2HD2 LEU 23 14.122 13.861 2.602 208 H PHE 24 H PHE 24 14.177 9.601 1.950 209 HA PHE 24 HA PHE 24 14.747 10.260 4.526 210 HB2 PHE 24 1HB PHE 24 12.743 9.043 4.023 211 HB3 PHE 24 2HB PHE 24 13.662 7.655 3.449 212 HD1 PHE 24 HD1 PHE 24 13.122 9.705 6.510 213 HD2 PHE 24 HD2 PHE 24 14.044 5.885 4.876 214 HE1 PHE 24 HE1 PHE 24 13.033 8.724 8.764 215 HE2 PHE 24 HE2 PHE 24 13.956 4.897 7.128 216 HZ PHE 24 HZ PHE 24 13.449 6.316 9.075 217 H ASN 25 H ASN 25 16.299 7.776 2.588 218 HA ASN 25 HA ASN 25 17.840 6.734 4.785 219 HB2 ASN 25 1HB ASN 25 17.116 5.412 2.741 220 HB3 ASN 25 2HB ASN 25 18.349 6.291 1.841 221 HD21 ASN 25 2HD2 ASN 25 17.688 3.698 3.926 222 HD22 ASN 25 1HD2 ASN 25 19.312 3.154 4.151 223 H GLU 26 H GLU 26 18.439 8.847 2.007 224 HA GLU 26 HA GLU 26 21.177 9.164 2.225 225 HB2 GLU 26 1HB GLU 26 19.889 10.076 0.366 226 HB3 GLU 26 2HB GLU 26 19.112 11.228 1.443 227 HG2 GLU 26 1HG GLU 26 20.947 12.163 0.037 228 HG3 GLU 26 2HG GLU 26 21.131 12.421 1.771 229 H THR 27 H THR 27 18.617 11.011 3.853 230 HA THR 27 HA THR 27 20.060 11.366 6.231 231 HB THR 27 HB THR 27 20.028 14.069 5.621 232 HG1 THR 27 HG1 THR 27 20.424 14.260 3.559 233 HG21 THR 27 3HG2 THR 27 21.840 13.533 6.861 234 HG22 THR 27 1HG2 THR 27 22.641 13.437 5.294 235 HG23 THR 27 2HG2 THR 27 22.048 11.970 6.072 236 H GLN 28 H GLN 28 19.045 13.184 7.604 237 HA GLN 28 HA GLN 28 16.149 13.083 7.154 238 HB2 GLN 28 1HB GLN 28 17.820 13.505 9.625 239 HB3 GLN 28 2HB GLN 28 16.091 13.824 9.601 240 HG2 GLN 28 1HG GLN 28 17.013 11.180 8.634 241 HG3 GLN 28 2HG GLN 28 17.094 11.499 10.366 242 HE21 GLN 28 2HE2 GLN 28 15.344 11.080 11.503 243 HE22 GLN 28 1HE2 GLN 28 13.740 10.920 10.879 244 H TYR 29 H TYR 29 17.459 14.897 5.566 245 HA TYR 29 HA TYR 29 16.871 17.488 6.837 246 HB2 TYR 29 1HB TYR 29 18.621 16.977 4.424 247 HB3 TYR 29 2HB TYR 29 18.406 18.509 5.264 248 HD1 TYR 29 HD1 TYR 29 18.606 17.649 8.085 249 HD2 TYR 29 HD2 TYR 29 20.888 16.492 4.686 250 HE1 TYR 29 HE1 TYR 29 20.508 17.116 9.551 251 HE2 TYR 29 HE2 TYR 29 22.795 15.954 6.142 252 HH TYR 29 HH TYR 29 22.731 16.660 9.590 253 HA PRO 30 HA PRO 30 13.554 16.815 3.682 254 HB2 PRO 30 1HB PRO 30 11.571 17.840 5.228 255 HB3 PRO 30 2HB PRO 30 12.077 16.149 5.311 256 HG2 PRO 30 1HG PRO 30 12.811 18.436 7.097 257 HG3 PRO 30 2HG PRO 30 12.378 16.773 7.531 258 HD2 PRO 30 1HD PRO 30 14.943 17.636 7.450 259 HD3 PRO 30 2HD PRO 30 14.484 15.966 7.057 260 H ASP 31 H ASP 31 14.916 18.560 2.676 261 HA ASP 31 HA ASP 31 13.514 21.139 2.892 262 HB2 ASP 31 1HB ASP 31 16.443 20.577 2.961 263 HB3 ASP 31 2HB ASP 31 15.898 22.035 2.138 264 H VAL 32 H VAL 32 14.163 22.552 0.895 265 HA VAL 32 HA VAL 32 13.062 21.430 -1.375 266 HB VAL 32 HB VAL 32 14.170 23.310 -2.635 267 HG11 VAL 32 1HG1 VAL 32 13.026 25.098 -1.098 268 HG12 VAL 32 2HG1 VAL 32 12.059 23.873 -1.923 269 HG13 VAL 32 3HG1 VAL 32 12.465 23.677 -0.218 270 HG21 VAL 32 3HG2 VAL 32 15.258 25.049 -1.177 271 HG22 VAL 32 1HG2 VAL 32 15.350 23.822 0.087 272 HG23 VAL 32 2HG2 VAL 32 16.205 23.584 -1.437 273 H PHE 33 H PHE 33 16.485 21.740 -0.511 274 HA PHE 33 HA PHE 33 17.625 20.823 -2.870 275 HB2 PHE 33 1HB PHE 33 18.466 21.146 -0.095 276 HB3 PHE 33 2HB PHE 33 19.269 19.795 -0.889 277 HD1 PHE 33 HD1 PHE 33 20.140 20.372 -3.338 278 HD2 PHE 33 HD2 PHE 33 19.459 23.204 -0.234 279 HE1 PHE 33 HE1 PHE 33 21.695 21.936 -4.429 280 HE2 PHE 33 HE2 PHE 33 21.012 24.773 -1.320 281 HZ PHE 33 HZ PHE 33 22.132 24.140 -3.421 282 H ALA 34 H ALA 34 15.879 19.101 -0.447 283 HA ALA 34 HA ALA 34 16.853 16.499 -1.282 284 HB1 ALA 34 1HB ALA 34 14.473 16.705 0.459 285 HB2 ALA 34 2HB ALA 34 15.893 15.667 0.592 286 HB3 ALA 34 3HB ALA 34 15.984 17.354 1.096 287 H ARG 35 H ARG 35 13.577 17.896 -1.016 288 HA ARG 35 HA ARG 35 12.290 16.029 -2.617 289 HB2 ARG 35 1HB ARG 35 10.557 17.821 -2.947 290 HB3 ARG 35 2HB ARG 35 10.986 17.506 -1.271 291 HG2 ARG 35 1HG ARG 35 12.471 19.473 -1.312 292 HG3 ARG 35 2HG ARG 35 11.943 19.804 -2.963 293 HD2 ARG 35 1HD ARG 35 10.052 20.757 -2.261 294 HD3 ARG 35 2HD ARG 35 9.705 19.423 -1.161 295 HE ARG 35 HE ARG 35 10.963 21.934 -0.510 296 HH11 ARG 35 1HH1 ARG 35 10.470 18.620 0.436 297 HH12 ARG 35 2HH1 ARG 35 10.802 18.912 2.111 298 HH21 ARG 35 1HH2 ARG 35 11.402 22.331 1.692 299 HH22 ARG 35 2HH2 ARG 35 11.331 21.024 2.825 300 H GLU 36 H GLU 36 13.746 19.136 -3.529 301 HA GLU 36 HA GLU 36 13.020 19.093 -6.236 302 HB2 GLU 36 1HB GLU 36 13.896 21.085 -5.061 303 HB3 GLU 36 2HB GLU 36 15.482 20.329 -4.991 304 HG2 GLU 36 1HG GLU 36 15.837 20.559 -7.267 305 HG3 GLU 36 2HG GLU 36 14.119 20.741 -7.617 306 H ARG 37 H ARG 37 15.454 17.368 -4.496 307 HA ARG 37 HA ARG 37 17.046 16.710 -6.800 308 HB2 ARG 37 1HB ARG 37 18.015 16.835 -4.530 309 HB3 ARG 37 2HB ARG 37 17.023 15.466 -4.045 310 HG2 ARG 37 1HG ARG 37 18.215 14.305 -6.082 311 HG3 ARG 37 2HG ARG 37 19.434 15.545 -5.778 312 HD2 ARG 37 1HD ARG 37 18.414 14.050 -3.434 313 HD3 ARG 37 2HD ARG 37 19.443 13.166 -4.561 314 HE ARG 37 HE ARG 37 20.243 15.245 -2.748 315 HH11 ARG 37 1HH1 ARG 37 20.996 13.602 -5.723 316 HH12 ARG 37 2HH1 ARG 37 22.682 13.995 -5.666 317 HH21 ARG 37 1HH2 ARG 37 22.462 15.769 -2.661 318 HH22 ARG 37 2HH2 ARG 37 23.515 15.227 -3.923 319 H VAL 38 H VAL 38 15.144 14.674 -4.566 320 HA VAL 38 HA VAL 38 15.126 12.371 -6.110 321 HB VAL 38 HB VAL 38 12.929 11.860 -4.901 322 HG11 VAL 38 1HG1 VAL 38 14.108 11.671 -2.687 323 HG12 VAL 38 2HG1 VAL 38 14.967 10.972 -4.061 324 HG13 VAL 38 3HG1 VAL 38 15.459 12.538 -3.416 325 HG21 VAL 38 3HG2 VAL 38 12.073 13.312 -3.326 326 HG22 VAL 38 1HG2 VAL 38 13.586 14.205 -3.173 327 HG23 VAL 38 2HG2 VAL 38 12.570 14.428 -4.597 328 H ALA 39 H ALA 39 13.348 15.303 -6.516 329 HA ALA 39 HA ALA 39 11.122 14.446 -7.945 330 HB1 ALA 39 1HB ALA 39 10.733 16.628 -7.983 331 HB2 ALA 39 2HB ALA 39 12.352 16.911 -7.343 332 HB3 ALA 39 3HB ALA 39 12.087 16.878 -9.086 333 H ASP 40 H ASP 40 14.454 14.752 -8.932 334 HA ASP 40 HA ASP 40 13.843 14.421 -11.744 335 HB2 ASP 40 1HB ASP 40 15.806 15.769 -10.728 336 HB3 ASP 40 2HB ASP 40 16.589 14.203 -10.539 337 H GLN 41 H GLN 41 14.352 12.420 -9.048 338 HA GLN 41 HA GLN 41 15.458 10.174 -10.452 339 HB2 GLN 41 1HB GLN 41 14.203 10.432 -7.717 340 HB3 GLN 41 2HB GLN 41 14.905 8.942 -8.333 341 HG2 GLN 41 1HG GLN 41 16.572 11.400 -8.356 342 HG3 GLN 41 2HG GLN 41 16.275 10.597 -6.815 343 HE21 GLN 41 2HE2 GLN 41 18.569 10.897 -8.921 344 HE22 GLN 41 1HE2 GLN 41 19.234 9.303 -8.969 345 H ILE 42 H ILE 42 12.264 10.895 -9.048 346 HA ILE 42 HA ILE 42 11.112 8.623 -10.461 347 HB ILE 42 HB ILE 42 9.183 8.891 -9.158 348 HG12 ILE 42 1HG1 ILE 42 10.144 11.642 -8.347 349 HG13 ILE 42 2HG1 ILE 42 8.942 11.338 -9.597 350 HG21 ILE 42 1HG2 ILE 42 11.242 8.186 -7.918 351 HG22 ILE 42 2HG2 ILE 42 11.376 9.842 -7.328 352 HG23 ILE 42 3HG2 ILE 42 9.967 8.868 -6.908 353 HD11 ILE 42 3HD1 ILE 42 7.584 11.773 -7.830 354 HD12 ILE 42 1HD1 ILE 42 7.754 10.028 -7.648 355 HD13 ILE 42 2HD1 ILE 42 8.718 11.117 -6.650 356 H ARG 43 H ARG 43 11.748 11.814 -11.124 357 HA ARG 43 HA ARG 43 11.162 13.174 -12.856 358 HB2 ARG 43 1HB ARG 43 10.859 10.753 -13.931 359 HB3 ARG 43 2HB ARG 43 9.170 11.244 -13.937 360 HG2 ARG 43 1HG ARG 43 11.460 12.688 -15.253 361 HG3 ARG 43 2HG ARG 43 10.192 11.761 -16.057 362 HD2 ARG 43 1HD ARG 43 8.515 13.334 -15.223 363 HD3 ARG 43 2HD ARG 43 9.780 14.255 -14.411 364 HE ARG 43 HE ARG 43 9.090 14.351 -17.186 365 HH11 ARG 43 1HH1 ARG 43 11.686 14.754 -14.902 366 HH12 ARG 43 2HH1 ARG 43 12.586 15.832 -15.916 367 HH21 ARG 43 1HH2 ARG 43 10.265 15.771 -18.530 368 HH22 ARG 43 2HH2 ARG 43 11.776 16.411 -17.979 369 H LEU 44 H LEU 44 10.036 13.932 -10.666 370 HA LEU 44 HA LEU 44 7.305 14.649 -11.439 371 HB2 LEU 44 1HB LEU 44 7.248 12.736 -9.835 372 HB3 LEU 44 2HB LEU 44 8.042 13.773 -8.653 373 HG LEU 44 HG LEU 44 6.107 15.256 -8.635 374 HD11 LEU 44 1HD1 LEU 44 4.898 13.295 -10.579 375 HD12 LEU 44 2HD1 LEU 44 5.380 14.952 -10.939 376 HD13 LEU 44 3HD1 LEU 44 4.058 14.644 -9.814 377 HD21 LEU 44 3HD2 LEU 44 5.673 12.333 -8.126 378 HD22 LEU 44 1HD2 LEU 44 4.416 13.522 -7.781 379 HD23 LEU 44 2HD2 LEU 44 5.978 13.630 -6.969 380 H GLN 45 H GLN 45 6.466 16.494 -10.127 381 HA GLN 45 HA GLN 45 8.204 18.665 -10.212 382 HB2 GLN 45 1HB GLN 45 5.469 18.180 -9.446 383 HB3 GLN 45 2HB GLN 45 6.222 19.300 -8.318 384 HG2 GLN 45 1HG GLN 45 6.547 20.911 -9.916 385 HG3 GLN 45 2HG GLN 45 6.558 19.748 -11.241 386 HE21 GLN 45 2HE2 GLN 45 4.627 21.743 -9.196 387 HE22 GLN 45 1HE2 GLN 45 3.124 21.495 -10.010 388 H GLU 46 H GLU 46 9.160 19.937 -8.565 389 HA GLU 46 HA GLU 46 10.450 18.421 -6.540 390 HB2 GLU 46 1HB GLU 46 11.385 20.611 -5.826 391 HB3 GLU 46 2HB GLU 46 11.597 20.288 -7.540 392 HG2 GLU 46 1HG GLU 46 10.857 22.390 -7.760 393 HG3 GLU 46 2HG GLU 46 9.272 21.633 -7.608 394 H SER 47 H SER 47 7.876 20.857 -6.484 395 HA SER 47 HA SER 47 7.581 20.710 -3.625 396 HB2 SER 47 1HB SER 47 7.051 22.706 -5.229 397 HB3 SER 47 2HB SER 47 5.504 21.887 -5.445 398 HG SER 47 HG SER 47 5.271 23.288 -3.746 399 H ARG 48 H ARG 48 6.243 19.107 -6.382 400 HA ARG 48 HA ARG 48 3.884 18.135 -5.080 401 HB2 ARG 48 1HB ARG 48 3.945 18.365 -7.502 402 HB3 ARG 48 2HB ARG 48 5.280 17.226 -7.601 403 HG2 ARG 48 1HG ARG 48 3.329 16.052 -8.228 404 HG3 ARG 48 2HG ARG 48 3.751 15.502 -6.605 405 HD2 ARG 48 1HD ARG 48 1.915 16.442 -5.664 406 HD3 ARG 48 2HD ARG 48 1.912 17.808 -6.779 407 HE ARG 48 HE ARG 48 1.187 15.300 -7.991 408 HH11 ARG 48 1HH1 ARG 48 0.040 18.102 -6.274 409 HH12 ARG 48 2HH1 ARG 48 -1.585 17.955 -6.856 410 HH21 ARG 48 1HH2 ARG 48 -0.949 15.095 -8.764 411 HH22 ARG 48 2HH2 ARG 48 -2.147 16.244 -8.272 412 H ILE 49 H ILE 49 7.047 16.740 -5.893 413 HA ILE 49 HA ILE 49 6.634 14.149 -5.000 414 HB ILE 49 HB ILE 49 8.749 15.398 -6.071 415 HG12 ILE 49 1HG1 ILE 49 8.925 12.898 -4.376 416 HG13 ILE 49 2HG1 ILE 49 8.308 12.965 -6.023 417 HG21 ILE 49 1HG2 ILE 49 9.735 14.865 -3.290 418 HG22 ILE 49 2HG2 ILE 49 10.527 15.742 -4.598 419 HG23 ILE 49 3HG2 ILE 49 9.144 16.456 -3.769 420 HD11 ILE 49 3HD1 ILE 49 10.975 14.101 -5.739 421 HD12 ILE 49 1HD1 ILE 49 10.878 12.395 -5.302 422 HD13 ILE 49 2HD1 ILE 49 10.354 12.927 -6.900 423 H GLN 50 H GLN 50 6.932 17.061 -3.187 424 HA GLN 50 HA GLN 50 7.881 16.103 -0.743 425 HB2 GLN 50 1HB GLN 50 6.969 18.529 -1.712 426 HB3 GLN 50 2HB GLN 50 5.795 18.125 -0.467 427 HG2 GLN 50 1HG GLN 50 8.625 17.773 0.266 428 HG3 GLN 50 2HG GLN 50 8.088 19.432 0.006 429 HE21 GLN 50 2HE2 GLN 50 6.582 20.334 1.388 430 HE22 GLN 50 1HE2 GLN 50 6.165 19.618 2.904 431 H VAL 51 H VAL 51 4.585 16.236 -2.030 432 HA VAL 51 HA VAL 51 3.285 15.301 0.296 433 HB VAL 51 HB VAL 51 1.347 15.026 -1.017 434 HG11 VAL 51 1HG1 VAL 51 2.769 17.354 -1.079 435 HG12 VAL 51 2HG1 VAL 51 2.441 17.081 -2.791 436 HG13 VAL 51 3HG1 VAL 51 1.108 17.166 -1.640 437 HG21 VAL 51 3HG2 VAL 51 3.277 14.435 -3.189 438 HG22 VAL 51 1HG2 VAL 51 1.750 13.651 -2.782 439 HG23 VAL 51 2HG2 VAL 51 1.750 15.190 -3.644 440 H TRP 52 H TRP 52 4.892 13.674 -2.347 441 HA TRP 52 HA TRP 52 3.894 11.066 -1.589 442 HB2 TRP 52 1HB TRP 52 5.978 11.898 -3.617 443 HB3 TRP 52 2HB TRP 52 5.409 10.248 -3.387 444 HD1 TRP 52 HD1 TRP 52 4.738 13.243 -5.407 445 HE1 TRP 52 HE1 TRP 52 2.491 13.030 -6.644 446 HE3 TRP 52 HE3 TRP 52 2.799 9.243 -2.882 447 HZ2 TRP 52 HZ2 TRP 52 0.199 11.384 -6.559 448 HZ3 TRP 52 HZ3 TRP 52 0.574 8.411 -3.522 449 HH2 TRP 52 HH2 TRP 52 -0.698 9.461 -5.322 450 H PHE 53 H PHE 53 6.508 13.102 -0.755 451 HA PHE 53 HA PHE 53 8.512 11.268 -0.121 452 HB2 PHE 53 1HB PHE 53 8.925 13.667 -0.141 453 HB3 PHE 53 2HB PHE 53 7.828 13.893 1.217 454 HD1 PHE 53 HD2 PHE 53 10.628 11.519 0.544 455 HD2 PHE 53 HD1 PHE 53 8.989 14.507 3.094 456 HE1 PHE 53 HE2 PHE 53 12.506 11.213 2.104 457 HE2 PHE 53 HE1 PHE 53 10.865 14.207 4.657 458 HZ PHE 53 HZ PHE 53 12.626 12.557 4.164 459 H LYS 54 H LYS 54 5.478 11.809 1.351 460 HA LYS 54 HA LYS 54 6.244 10.669 3.910 461 HB2 LYS 54 1HB LYS 54 4.333 12.476 3.217 462 HB3 LYS 54 2HB LYS 54 3.379 11.000 3.289 463 HG2 LYS 54 1HG LYS 54 4.879 10.878 5.588 464 HG3 LYS 54 2HG LYS 54 4.515 12.598 5.434 465 HD2 LYS 54 1HD LYS 54 2.139 12.093 5.248 466 HD3 LYS 54 2HD LYS 54 2.485 10.364 5.341 467 HE2 LYS 54 1HE LYS 54 1.714 11.313 7.489 468 HE3 LYS 54 2HE LYS 54 3.327 10.608 7.587 469 HZ1 LYS 54 3HZ LYS 54 4.304 12.643 7.828 470 HZ2 LYS 54 1HZ LYS 54 2.832 12.939 8.607 471 HZ3 LYS 54 2HZ LYS 54 3.072 13.475 7.021 472 H ASN 55 H ASN 55 5.151 9.587 0.878 473 HA ASN 55 HA ASN 55 3.497 7.494 1.243 474 HB2 ASN 55 1HB ASN 55 4.398 8.003 -0.943 475 HB3 ASN 55 2HB ASN 55 6.014 7.524 -0.433 476 HD21 ASN 55 2HD2 ASN 55 6.553 5.383 -0.355 477 HD22 ASN 55 1HD2 ASN 55 5.537 4.128 -0.971 478 H ARG 56 H ARG 56 7.012 6.902 1.245 479 HA ARG 56 HA ARG 56 6.617 4.536 2.873 480 HB2 ARG 56 1HB ARG 56 8.279 4.908 0.863 481 HB3 ARG 56 2HB ARG 56 9.320 5.565 2.119 482 HG2 ARG 56 1HG ARG 56 8.262 3.095 3.042 483 HG3 ARG 56 2HG ARG 56 8.901 2.861 1.413 484 HD2 ARG 56 1HD ARG 56 11.049 3.446 2.030 485 HD3 ARG 56 2HD ARG 56 10.505 4.372 3.428 486 HE ARG 56 HE ARG 56 11.101 1.568 3.336 487 HH11 ARG 56 1HH1 ARG 56 9.257 4.035 4.958 488 HH12 ARG 56 2HH1 ARG 56 9.122 3.144 6.438 489 HH21 ARG 56 1HH2 ARG 56 10.931 0.386 5.279 490 HH22 ARG 56 2HH2 ARG 56 10.075 1.069 6.620 491 H ARG 57 H ARG 57 8.140 7.711 3.148 492 HA ARG 57 HA ARG 57 9.487 7.471 5.528 493 HB2 ARG 57 1HB ARG 57 9.591 9.502 4.223 494 HB3 ARG 57 2HB ARG 57 7.883 9.814 4.499 495 HG2 ARG 57 1HG ARG 57 8.431 9.966 6.956 496 HG3 ARG 57 2HG ARG 57 10.131 9.958 6.484 497 HD2 ARG 57 1HD ARG 57 10.054 12.067 5.687 498 HD3 ARG 57 2HD ARG 57 8.426 11.870 5.038 499 HE ARG 57 HE ARG 57 8.554 12.014 7.914 500 HH11 ARG 57 1HH1 ARG 57 8.268 13.804 4.942 501 HH12 ARG 57 2HH1 ARG 57 7.508 15.172 5.687 502 HH21 ARG 57 1HH2 ARG 57 7.555 13.809 8.906 503 HH22 ARG 57 2HH2 ARG 57 7.104 15.174 7.942 504 H ALA 58 H ALA 58 6.044 7.661 4.996 505 HA ALA 58 HA ALA 58 5.469 7.986 7.826 506 HB1 ALA 58 1HB ALA 58 4.086 9.141 6.161 507 HB2 ALA 58 2HB ALA 58 3.580 7.581 5.510 508 HB3 ALA 58 3HB ALA 58 3.135 8.036 7.155 509 H LYS 59 H LYS 59 5.474 5.480 5.382 510 HA LYS 59 HA LYS 59 3.965 3.527 6.682 511 HB2 LYS 59 1HB LYS 59 5.835 3.643 4.462 512 HB3 LYS 59 2HB LYS 59 5.991 2.138 5.360 513 HG2 LYS 59 1HG LYS 59 4.431 1.811 3.581 514 HG3 LYS 59 2HG LYS 59 3.547 1.796 5.109 515 HD2 LYS 59 1HD LYS 59 3.335 4.394 4.537 516 HD3 LYS 59 2HD LYS 59 3.493 3.768 2.894 517 HE2 LYS 59 1HE LYS 59 1.678 2.060 3.701 518 HE3 LYS 59 2HE LYS 59 1.347 3.295 4.915 519 HZ1 LYS 59 3HZ LYS 59 0.573 4.747 3.363 520 HZ2 LYS 59 1HZ LYS 59 0.142 3.298 2.602 521 HZ3 LYS 59 2HZ LYS 59 1.532 4.128 2.115 522 H TYR 60 H TYR 60 7.094 4.756 7.389 523 HA TYR 60 HA TYR 60 8.394 2.667 8.612 524 HB2 TYR 60 1HB TYR 60 9.768 4.241 9.579 525 HB3 TYR 60 2HB TYR 60 9.019 5.216 8.320 526 HD1 TYR 60 HD1 TYR 60 6.785 6.433 9.067 527 HD2 TYR 60 HD2 TYR 60 9.818 5.084 11.728 528 HE1 TYR 60 HE1 TYR 60 5.996 8.028 10.765 529 HE2 TYR 60 HE2 TYR 60 9.037 6.674 13.434 530 HH TYR 60 HH TYR 60 7.062 7.924 14.019 531 H ARG 61 H ARG 61 5.622 4.453 9.734 532 HA ARG 61 HA ARG 61 5.755 3.513 12.439 533 HB2 ARG 61 1HB ARG 61 4.560 5.623 11.473 534 HB3 ARG 61 2HB ARG 61 3.239 4.509 11.148 535 HG2 ARG 61 1HG ARG 61 2.758 5.496 13.225 536 HG3 ARG 61 2HG ARG 61 3.345 3.872 13.590 537 HD2 ARG 61 1HD ARG 61 5.547 4.768 14.108 538 HD3 ARG 61 2HD ARG 61 5.001 6.391 13.689 539 HE ARG 61 HE ARG 61 4.501 4.971 16.137 540 HH11 ARG 61 1HH1 ARG 61 3.391 7.492 14.009 541 HH12 ARG 61 2HH1 ARG 61 2.534 8.343 15.252 542 HH21 ARG 61 1HH2 ARG 61 3.376 6.082 17.782 543 HH22 ARG 61 2HH2 ARG 61 2.527 7.540 17.397 544 H LEU 62 H LEU 62 4.003 2.577 9.518 545 HA LEU 62 HA LEU 62 2.335 0.644 10.708 546 HB2 LEU 62 1HB LEU 62 2.307 1.723 8.335 547 HB3 LEU 62 2HB LEU 62 3.348 0.366 7.910 548 HG LEU 62 HG LEU 62 1.000 -0.045 7.335 549 HD11 LEU 62 1HD1 LEU 62 1.357 -1.944 9.545 550 HD12 LEU 62 2HD1 LEU 62 2.745 -1.774 8.472 551 HD13 LEU 62 3HD1 LEU 62 1.174 -2.231 7.814 552 HD21 LEU 62 3HD2 LEU 62 0.256 -0.319 10.195 553 HD22 LEU 62 1HD2 LEU 62 -0.741 0.080 8.795 554 HD23 LEU 62 2HD2 LEU 62 0.305 1.307 9.511 555 H GLN 63 H GLN 63 5.529 0.399 9.192 556 HA GLN 63 HA GLN 63 5.723 -2.429 9.546 557 HB2 GLN 63 1HB GLN 63 8.052 -2.152 8.855 558 HB3 GLN 63 2HB GLN 63 6.971 -1.270 7.786 559 HG2 GLN 63 1HG GLN 63 7.821 0.728 8.351 560 HG3 GLN 63 2HG GLN 63 8.031 0.279 10.043 561 HE21 GLN 63 2HE2 GLN 63 10.086 0.819 10.420 562 HE22 GLN 63 1HE2 GLN 63 11.447 0.214 9.544 563 H GLU 64 H GLU 64 6.277 0.301 11.553 564 HA GLU 64 HA GLU 64 8.255 -0.568 13.281 565 HB2 GLU 64 1HB GLU 64 6.734 1.630 13.181 566 HB3 GLU 64 2HB GLU 64 5.898 0.790 14.479 567 HG2 GLU 64 1HG GLU 64 7.698 0.909 15.904 568 HG3 GLU 64 2HG GLU 64 8.861 1.076 14.591 569 H LYS 65 H LYS 65 4.922 -1.567 13.036 570 HA LYS 65 HA LYS 65 5.195 -3.224 15.442 571 HB2 LYS 65 1HB LYS 65 2.730 -3.575 15.169 572 HB3 LYS 65 2HB LYS 65 3.196 -1.903 15.451 573 HG2 LYS 65 1HG LYS 65 2.986 -2.719 12.629 574 HG3 LYS 65 2HG LYS 65 1.476 -2.675 13.542 575 HD2 LYS 65 1HD LYS 65 3.413 -0.383 13.608 576 HD3 LYS 65 2HD LYS 65 2.216 -0.538 12.320 577 HE2 LYS 65 1HE LYS 65 1.396 -0.696 15.196 578 HE3 LYS 65 2HE LYS 65 1.645 0.867 14.420 579 HZ1 LYS 65 3HZ LYS 65 0.097 -0.295 12.621 580 HZ2 LYS 65 1HZ LYS 65 -0.524 0.589 13.923 581 HZ3 LYS 65 2HZ LYS 65 -0.460 -1.099 14.001 582 H GLN 66 H GLN 66 4.986 -3.371 11.992 583 HA GLN 66 HA GLN 66 4.202 -6.089 11.757 584 HB2 GLN 66 1HB GLN 66 5.777 -4.408 9.800 585 HB3 GLN 66 2HB GLN 66 4.921 -5.901 9.435 586 HG2 GLN 66 1HG GLN 66 3.256 -3.831 10.659 587 HG3 GLN 66 2HG GLN 66 3.928 -3.395 9.088 588 HE21 GLN 66 2HE2 GLN 66 1.269 -4.538 10.435 589 HE22 GLN 66 1HE2 GLN 66 0.693 -5.594 9.196 590 H LYS 67 H LYS 67 7.386 -4.601 11.132 591 HA LYS 67 HA LYS 67 8.636 -7.194 11.687 592 HB2 LYS 67 1HB LYS 67 10.681 -6.083 10.701 593 HB3 LYS 67 2HB LYS 67 9.333 -6.308 9.595 594 HG2 LYS 67 1HG LYS 67 8.707 -3.981 9.837 595 HG3 LYS 67 2HG LYS 67 9.995 -3.738 11.020 596 HD2 LYS 67 1HD LYS 67 10.667 -2.921 8.824 597 HD3 LYS 67 2HD LYS 67 11.661 -4.296 9.311 598 HE2 LYS 67 1HE LYS 67 10.326 -5.774 7.912 599 HE3 LYS 67 2HE LYS 67 9.281 -4.427 7.461 600 HZ1 LYS 67 3HZ LYS 67 12.142 -4.115 6.977 601 HZ2 LYS 67 1HZ LYS 67 10.824 -3.574 6.064 602 HZ3 LYS 67 2HZ LYS 67 11.308 -5.193 5.975 603 HA PRO 68 HA PRO 68 10.342 -5.947 15.534 604 HB2 PRO 68 1HB PRO 68 12.742 -7.216 15.497 605 HB3 PRO 68 2HB PRO 68 11.208 -8.068 15.709 606 HG2 PRO 68 1HG PRO 68 12.866 -7.736 13.238 607 HG3 PRO 68 2HG PRO 68 12.037 -9.182 13.844 608 HD2 PRO 68 1HD PRO 68 11.019 -7.641 11.864 609 HD3 PRO 68 2HD PRO 68 9.992 -8.506 13.025 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.831 0.389 -0.295 2 HA2 GLY 1 1HA GLY 1 3.135 -0.788 -1.698 3 HA3 GLY 1 2HA GLY 1 1.635 -0.521 -2.574 4 HA PRO 2 HA PRO 2 4.416 3.250 -2.848 5 HB2 PRO 2 1HB PRO 2 4.607 3.271 -5.556 6 HB3 PRO 2 2HB PRO 2 5.728 2.379 -4.522 7 HG2 PRO 2 1HG PRO 2 3.352 1.381 -6.044 8 HG3 PRO 2 2HG PRO 2 4.958 0.649 -5.872 9 HD2 PRO 2 1HD PRO 2 2.819 -0.177 -4.432 10 HD3 PRO 2 2HD PRO 2 4.476 -0.225 -3.795 11 H ARG 3 H ARG 3 2.236 4.030 -2.084 12 HA ARG 3 HA ARG 3 1.229 5.969 -3.856 13 HB2 ARG 3 1HB ARG 3 0.191 3.704 -4.666 14 HB3 ARG 3 2HB ARG 3 -0.870 3.911 -3.279 15 HG2 ARG 3 1HG ARG 3 -2.164 5.043 -4.704 16 HG3 ARG 3 2HG ARG 3 -1.021 6.363 -4.445 17 HD2 ARG 3 1HD ARG 3 -0.125 6.162 -6.504 18 HD3 ARG 3 2HD ARG 3 -0.236 4.402 -6.491 19 HE ARG 3 HE ARG 3 -2.141 6.245 -7.581 20 HH11 ARG 3 1HH1 ARG 3 -1.719 3.078 -6.199 21 HH12 ARG 3 2HH1 ARG 3 -3.121 2.412 -6.969 22 HH21 ARG 3 1HH2 ARG 3 -3.990 5.380 -8.600 23 HH22 ARG 3 2HH2 ARG 3 -4.411 3.722 -8.335 24 H LYS 4 H LYS 4 0.591 7.585 -2.598 25 HA LYS 4 HA LYS 4 -0.214 6.982 0.161 26 HB2 LYS 4 1HB LYS 4 1.750 8.523 -0.330 27 HB3 LYS 4 2HB LYS 4 0.574 9.676 -0.946 28 HG2 LYS 4 1HG LYS 4 -0.045 8.638 1.719 29 HG3 LYS 4 2HG LYS 4 1.458 9.560 1.621 30 HD2 LYS 4 1HD LYS 4 -0.129 11.187 0.213 31 HD3 LYS 4 2HD LYS 4 -1.347 10.442 1.251 32 HE2 LYS 4 1HE LYS 4 1.190 11.730 2.250 33 HE3 LYS 4 2HE LYS 4 -0.372 12.544 2.167 34 HZ1 LYS 4 3HZ LYS 4 -0.851 10.188 3.495 35 HZ2 LYS 4 1HZ LYS 4 -0.759 11.732 4.179 36 HZ3 LYS 4 2HZ LYS 4 0.613 10.744 4.135 37 H ASN 5 H ASN 5 -1.403 8.117 -2.833 38 HA ASN 5 HA ASN 5 -4.042 8.453 -1.713 39 HB2 ASN 5 1HB ASN 5 -2.429 10.738 -2.040 40 HB3 ASN 5 2HB ASN 5 -3.575 10.763 -3.376 41 HD21 ASN 5 2HD2 ASN 5 -3.763 9.761 0.023 42 HD22 ASN 5 1HD2 ASN 5 -5.138 10.733 0.409 43 H ARG 6 H ARG 6 -2.361 9.497 -4.683 44 HA ARG 6 HA ARG 6 -3.273 7.418 -6.316 45 HB2 ARG 6 1HB ARG 6 -4.985 8.734 -7.637 46 HB3 ARG 6 2HB ARG 6 -5.502 8.185 -6.048 47 HG2 ARG 6 1HG ARG 6 -4.359 10.754 -5.731 48 HG3 ARG 6 2HG ARG 6 -5.472 10.821 -7.099 49 HD2 ARG 6 1HD ARG 6 -6.148 9.711 -4.378 50 HD3 ARG 6 2HD ARG 6 -6.545 11.339 -4.925 51 HE ARG 6 HE ARG 6 -7.607 9.669 -6.821 52 HH11 ARG 6 1HH1 ARG 6 -7.942 10.071 -3.379 53 HH12 ARG 6 2HH1 ARG 6 -9.585 9.521 -3.343 54 HH21 ARG 6 1HH2 ARG 6 -9.769 8.944 -6.787 55 HH22 ARG 6 2HH2 ARG 6 -10.623 8.879 -5.282 56 H ARG 7 H ARG 7 -3.285 8.221 -8.747 57 HA ARG 7 HA ARG 7 -1.963 8.947 -10.453 58 HB2 ARG 7 1HB ARG 7 -2.222 11.348 -8.686 59 HB3 ARG 7 2HB ARG 7 -1.153 11.418 -10.080 60 HG2 ARG 7 1HG ARG 7 -3.019 12.160 -11.097 61 HG3 ARG 7 2HG ARG 7 -3.343 10.433 -11.261 62 HD2 ARG 7 1HD ARG 7 -4.964 10.444 -9.649 63 HD3 ARG 7 2HD ARG 7 -4.236 11.791 -8.774 64 HE ARG 7 HE ARG 7 -5.519 13.225 -10.004 65 HH11 ARG 7 1HH1 ARG 7 -5.424 10.138 -11.611 66 HH12 ARG 7 2HH1 ARG 7 -6.596 10.579 -12.809 67 HH21 ARG 7 1HH2 ARG 7 -7.063 13.817 -11.575 68 HH22 ARG 7 2HH2 ARG 7 -7.526 12.672 -12.788 69 H GLU 8 H GLU 8 -0.264 7.491 -10.194 70 HA GLU 8 HA GLU 8 2.103 8.559 -8.799 71 HB2 GLU 8 1HB GLU 8 2.815 6.074 -8.814 72 HB3 GLU 8 2HB GLU 8 1.601 6.594 -7.653 73 HG2 GLU 8 1HG GLU 8 -0.163 5.698 -9.024 74 HG3 GLU 8 2HG GLU 8 0.989 5.287 -10.293 75 H ARG 9 H ARG 9 4.122 7.173 -9.763 76 HA ARG 9 HA ARG 9 4.639 8.285 -12.272 77 HB2 ARG 9 1HB ARG 9 6.247 7.321 -10.449 78 HB3 ARG 9 2HB ARG 9 6.065 5.818 -11.344 79 HG2 ARG 9 1HG ARG 9 6.766 8.263 -12.871 80 HG3 ARG 9 2HG ARG 9 8.009 7.528 -11.857 81 HD2 ARG 9 1HD ARG 9 8.392 6.042 -13.461 82 HD3 ARG 9 2HD ARG 9 6.754 5.425 -13.244 83 HE ARG 9 HE ARG 9 6.387 7.557 -14.858 84 HH11 ARG 9 1HH1 ARG 9 8.522 4.811 -14.998 85 HH12 ARG 9 2HH1 ARG 9 8.574 4.775 -16.729 86 HH21 ARG 9 1HH2 ARG 9 6.447 7.520 -17.137 87 HH22 ARG 9 2HH2 ARG 9 7.394 6.316 -17.945 88 H THR 10 H THR 10 3.323 5.170 -11.362 89 HA THR 10 HA THR 10 2.144 4.725 -13.878 90 HB THR 10 HB THR 10 4.571 4.265 -14.444 91 HG1 THR 10 HG1 THR 10 2.971 3.389 -15.754 92 HG21 THR 10 3HG2 THR 10 5.759 2.607 -13.462 93 HG22 THR 10 1HG2 THR 10 4.345 1.577 -13.246 94 HG23 THR 10 2HG2 THR 10 4.654 2.898 -12.118 95 H THR 11 H THR 11 1.823 2.058 -14.003 96 HA THR 11 HA THR 11 -0.103 1.451 -12.155 97 HB THR 11 HB THR 11 0.423 -1.001 -12.689 98 HG1 THR 11 HG1 THR 11 2.039 -1.411 -14.073 99 HG21 THR 11 3HG2 THR 11 0.146 0.212 -15.319 100 HG22 THR 11 1HG2 THR 11 -0.890 0.976 -14.113 101 HG23 THR 11 2HG2 THR 11 -1.002 -0.761 -14.399 102 H TYR 12 H TYR 12 3.284 0.337 -12.053 103 HA TYR 12 HA TYR 12 3.347 0.530 -9.190 104 HB2 TYR 12 1HB TYR 12 2.977 -2.101 -10.532 105 HB3 TYR 12 2HB TYR 12 4.101 -2.031 -9.179 106 HD1 TYR 12 HD2 TYR 12 3.162 -0.839 -7.022 107 HD2 TYR 12 HD1 TYR 12 0.741 -2.504 -10.099 108 HE1 TYR 12 HE2 TYR 12 1.281 -1.002 -5.446 109 HE2 TYR 12 HE1 TYR 12 -1.147 -2.670 -8.532 110 HH TYR 12 HH TYR 12 -0.765 -2.019 -5.119 111 H SER 13 H SER 13 5.234 1.557 -9.043 112 HA SER 13 HA SER 13 7.600 0.272 -10.206 113 HB2 SER 13 1HB SER 13 7.053 2.063 -11.750 114 HB3 SER 13 2HB SER 13 6.925 3.215 -10.421 115 HG SER 13 HG SER 13 9.080 2.569 -11.805 116 H ARG 14 H ARG 14 9.631 1.014 -9.210 117 HA ARG 14 HA ARG 14 9.317 1.208 -6.352 118 HB2 ARG 14 1HB ARG 14 11.765 0.986 -6.291 119 HB3 ARG 14 2HB ARG 14 11.023 -0.262 -7.284 120 HG2 ARG 14 1HG ARG 14 11.823 2.142 -8.754 121 HG3 ARG 14 2HG ARG 14 13.153 1.248 -8.016 122 HD2 ARG 14 1HD ARG 14 11.823 -0.804 -9.073 123 HD3 ARG 14 2HD ARG 14 11.296 0.457 -10.188 124 HE ARG 14 HE ARG 14 14.138 0.403 -9.775 125 HH11 ARG 14 1HH1 ARG 14 11.488 -0.931 -11.597 126 HH12 ARG 14 2HH1 ARG 14 12.475 -1.385 -12.947 127 HH21 ARG 14 1HH2 ARG 14 15.447 -0.190 -11.546 128 HH22 ARG 14 2HH2 ARG 14 14.727 -0.964 -12.916 129 H GLN 15 H GLN 15 9.818 3.381 -8.943 130 HA GLN 15 HA GLN 15 11.345 5.406 -7.901 131 HB2 GLN 15 1HB GLN 15 8.857 5.600 -9.601 132 HB3 GLN 15 2HB GLN 15 9.929 6.956 -9.282 133 HG2 GLN 15 1HG GLN 15 10.825 4.392 -10.569 134 HG3 GLN 15 2HG GLN 15 10.285 5.807 -11.469 135 HE21 GLN 15 2HE2 GLN 15 12.638 5.166 -12.187 136 HE22 GLN 15 1HE2 GLN 15 13.882 6.106 -11.443 137 H GLN 16 H GLN 16 7.842 4.959 -7.469 138 HA GLN 16 HA GLN 16 7.331 7.190 -5.902 139 HB2 GLN 16 1HB GLN 16 5.931 4.870 -6.700 140 HB3 GLN 16 2HB GLN 16 5.777 4.969 -4.951 141 HG2 GLN 16 1HG GLN 16 3.931 6.087 -6.048 142 HG3 GLN 16 2HG GLN 16 4.914 7.238 -5.145 143 HE21 GLN 16 2HE2 GLN 16 3.610 8.646 -6.664 144 HE22 GLN 16 1HE2 GLN 16 4.345 9.030 -8.180 145 H LEU 17 H LEU 17 8.714 4.094 -5.022 146 HA LEU 17 HA LEU 17 8.677 4.748 -2.188 147 HB2 LEU 17 1HB LEU 17 9.725 2.358 -3.694 148 HB3 LEU 17 2HB LEU 17 9.793 2.535 -1.942 149 HG LEU 17 HG LEU 17 7.110 2.819 -3.112 150 HD11 LEU 17 1HD1 LEU 17 8.616 0.215 -3.249 151 HD12 LEU 17 2HD1 LEU 17 7.857 1.090 -4.579 152 HD13 LEU 17 3HD1 LEU 17 6.859 0.348 -3.329 153 HD21 LEU 17 3HD2 LEU 17 6.812 1.048 -1.197 154 HD22 LEU 17 1HD2 LEU 17 7.070 2.752 -0.821 155 HD23 LEU 17 2HD2 LEU 17 8.414 1.614 -0.719 156 H GLU 18 H GLU 18 10.656 5.330 -4.832 157 HA GLU 18 HA GLU 18 13.207 5.135 -3.561 158 HB2 GLU 18 1HB GLU 18 12.243 6.459 -6.088 159 HB3 GLU 18 2HB GLU 18 13.907 6.610 -5.541 160 HG2 GLU 18 1HG GLU 18 13.688 3.962 -5.424 161 HG3 GLU 18 2HG GLU 18 12.481 4.279 -6.670 162 H ILE 19 H ILE 19 10.895 7.743 -4.127 163 HA ILE 19 HA ILE 19 12.295 9.976 -3.459 164 HB ILE 19 HB ILE 19 9.525 9.376 -2.418 165 HG12 ILE 19 1HG1 ILE 19 9.430 10.965 -4.753 166 HG13 ILE 19 2HG1 ILE 19 10.506 9.619 -5.112 167 HG21 ILE 19 1HG2 ILE 19 9.307 11.559 -1.906 168 HG22 ILE 19 2HG2 ILE 19 11.067 11.504 -1.815 169 HG23 ILE 19 3HG2 ILE 19 10.278 12.088 -3.280 170 HD11 ILE 19 3HD1 ILE 19 7.902 9.043 -3.806 171 HD12 ILE 19 1HD1 ILE 19 7.924 9.452 -5.522 172 HD13 ILE 19 2HD1 ILE 19 8.845 8.067 -4.932 173 H LEU 20 H LEU 20 11.044 7.535 -1.240 174 HA LEU 20 HA LEU 20 12.125 8.988 1.050 175 HB2 LEU 20 1HB LEU 20 10.936 6.320 1.433 176 HB3 LEU 20 2HB LEU 20 10.714 7.805 2.356 177 HG LEU 20 HG LEU 20 8.608 7.295 1.439 178 HD11 LEU 20 1HD1 LEU 20 9.681 9.662 1.041 179 HD12 LEU 20 2HD1 LEU 20 8.100 9.254 0.375 180 HD13 LEU 20 3HD1 LEU 20 9.531 9.198 -0.654 181 HD21 LEU 20 3HD2 LEU 20 10.048 5.977 -0.535 182 HD22 LEU 20 1HD2 LEU 20 9.215 7.277 -1.390 183 HD23 LEU 20 2HD2 LEU 20 8.293 6.123 -0.426 184 H GLU 21 H GLU 21 12.240 5.611 -0.105 185 HA GLU 21 HA GLU 21 14.266 4.632 1.414 186 HB2 GLU 21 1HB GLU 21 12.903 3.709 -0.746 187 HB3 GLU 21 2HB GLU 21 14.505 3.916 -1.439 188 HG2 GLU 21 1HG GLU 21 13.836 2.286 1.000 189 HG3 GLU 21 2HG GLU 21 14.175 1.655 -0.610 190 H THR 22 H THR 22 14.532 6.909 -1.205 191 HA THR 22 HA THR 22 17.441 6.737 -1.239 192 HB THR 22 HB THR 22 15.698 8.646 -2.801 193 HG1 THR 22 HG1 THR 22 15.146 6.966 -3.949 194 HG21 THR 22 3HG2 THR 22 18.545 7.698 -3.108 195 HG22 THR 22 1HG2 THR 22 17.988 9.340 -2.787 196 HG23 THR 22 2HG2 THR 22 17.672 8.591 -4.352 197 H LEU 23 H LEU 23 14.957 9.228 -0.664 198 HA LEU 23 HA LEU 23 16.838 11.138 0.316 199 HB2 LEU 23 1HB LEU 23 14.603 11.635 -0.737 200 HB3 LEU 23 2HB LEU 23 13.864 11.117 0.777 201 HG LEU 23 HG LEU 23 15.872 13.349 0.684 202 HD11 LEU 23 1HD1 LEU 23 14.356 14.353 -0.680 203 HD12 LEU 23 2HD1 LEU 23 13.599 14.703 0.873 204 HD13 LEU 23 3HD1 LEU 23 13.014 13.361 -0.109 205 HD21 LEU 23 3HD2 LEU 23 13.930 13.756 2.640 206 HD22 LEU 23 1HD2 LEU 23 15.589 13.211 2.884 207 HD23 LEU 23 2HD2 LEU 23 14.291 12.031 2.705 208 H PHE 24 H PHE 24 14.134 9.523 1.997 209 HA PHE 24 HA PHE 24 14.722 10.188 4.572 210 HB2 PHE 24 1HB PHE 24 12.726 8.945 4.066 211 HB3 PHE 24 2HB PHE 24 13.665 7.564 3.510 212 HD1 PHE 24 HD1 PHE 24 13.117 9.647 6.548 213 HD2 PHE 24 HD2 PHE 24 14.048 5.811 4.955 214 HE1 PHE 24 HE1 PHE 24 13.041 8.690 8.814 215 HE2 PHE 24 HE2 PHE 24 13.972 4.849 7.218 216 HZ PHE 24 HZ PHE 24 13.468 6.288 9.151 217 H ASN 25 H ASN 25 16.301 7.758 2.596 218 HA ASN 25 HA ASN 25 17.872 6.715 4.775 219 HB2 ASN 25 1HB ASN 25 17.148 5.380 2.749 220 HB3 ASN 25 2HB ASN 25 18.333 6.293 1.819 221 HD21 ASN 25 2HD2 ASN 25 18.031 4.309 4.735 222 HD22 ASN 25 1HD2 ASN 25 19.583 3.563 4.597 223 H GLU 26 H GLU 26 18.400 8.863 2.013 224 HA GLU 26 HA GLU 26 21.138 9.212 2.185 225 HB2 GLU 26 1HB GLU 26 19.802 10.134 0.363 226 HB3 GLU 26 2HB GLU 26 19.034 11.261 1.472 227 HG2 GLU 26 1HG GLU 26 20.688 12.443 0.238 228 HG3 GLU 26 2HG GLU 26 21.261 12.273 1.896 229 H THR 27 H THR 27 18.584 10.990 3.896 230 HA THR 27 HA THR 27 20.065 11.332 6.249 231 HB THR 27 HB THR 27 19.997 14.043 5.679 232 HG1 THR 27 HG1 THR 27 19.935 13.904 3.504 233 HG21 THR 27 3HG2 THR 27 21.751 12.316 6.747 234 HG22 THR 27 1HG2 THR 27 22.182 13.965 6.296 235 HG23 THR 27 2HG2 THR 27 22.554 12.627 5.208 236 H GLN 28 H GLN 28 19.070 13.222 7.611 237 HA GLN 28 HA GLN 28 16.162 13.064 7.228 238 HB2 GLN 28 1HB GLN 28 17.693 13.770 9.736 239 HB3 GLN 28 2HB GLN 28 15.961 13.494 9.608 240 HG2 GLN 28 1HG GLN 28 16.704 11.502 10.473 241 HG3 GLN 28 2HG GLN 28 16.649 11.153 8.746 242 HE21 GLN 28 2HE2 GLN 28 18.204 9.632 8.627 243 HE22 GLN 28 1HE2 GLN 28 19.866 9.905 9.016 244 H TYR 29 H TYR 29 17.525 14.912 5.664 245 HA TYR 29 HA TYR 29 16.877 17.481 6.951 246 HB2 TYR 29 1HB TYR 29 18.696 16.983 4.586 247 HB3 TYR 29 2HB TYR 29 18.416 18.530 5.376 248 HD1 TYR 29 HD1 TYR 29 18.531 17.709 8.229 249 HD2 TYR 29 HD2 TYR 29 20.978 16.604 4.928 250 HE1 TYR 29 HE1 TYR 29 20.397 17.264 9.769 251 HE2 TYR 29 HE2 TYR 29 22.850 16.154 6.459 252 HH TYR 29 HH TYR 29 22.471 16.485 9.972 253 HA PRO 30 HA PRO 30 13.610 16.833 3.749 254 HB2 PRO 30 1HB PRO 30 11.616 17.888 5.259 255 HB3 PRO 30 2HB PRO 30 12.106 16.193 5.363 256 HG2 PRO 30 1HG PRO 30 12.837 18.488 7.141 257 HG3 PRO 30 2HG PRO 30 12.384 16.831 7.582 258 HD2 PRO 30 1HD PRO 30 14.957 17.672 7.528 259 HD3 PRO 30 2HD PRO 30 14.489 16.004 7.142 260 H ASP 31 H ASP 31 15.003 18.560 2.749 261 HA ASP 31 HA ASP 31 13.636 21.160 2.948 262 HB2 ASP 31 1HB ASP 31 16.559 20.546 2.963 263 HB3 ASP 31 2HB ASP 31 16.015 22.022 2.170 264 H VAL 32 H VAL 32 14.327 22.547 0.929 265 HA VAL 32 HA VAL 32 13.158 21.447 -1.319 266 HB VAL 32 HB VAL 32 14.325 23.274 -2.607 267 HG11 VAL 32 1HG1 VAL 32 12.243 23.923 -1.890 268 HG12 VAL 32 2HG1 VAL 32 12.646 23.718 -0.185 269 HG13 VAL 32 3HG1 VAL 32 13.255 25.114 -1.075 270 HG21 VAL 32 3HG2 VAL 32 15.490 24.985 -1.183 271 HG22 VAL 32 1HG2 VAL 32 15.533 23.780 0.105 272 HG23 VAL 32 2HG2 VAL 32 16.377 23.478 -1.415 273 H PHE 33 H PHE 33 16.597 21.628 -0.486 274 HA PHE 33 HA PHE 33 17.677 20.654 -2.852 275 HB2 PHE 33 1HB PHE 33 18.624 21.270 -0.279 276 HB3 PHE 33 2HB PHE 33 19.110 19.604 -0.576 277 HD1 PHE 33 HD2 PHE 33 19.180 22.989 -2.108 278 HD2 PHE 33 HD1 PHE 33 21.000 19.152 -1.835 279 HE1 PHE 33 HE2 PHE 33 21.061 23.788 -3.478 280 HE2 PHE 33 HE1 PHE 33 22.885 19.944 -3.204 281 HZ PHE 33 HZ PHE 33 22.916 22.265 -4.028 282 H ALA 34 H ALA 34 15.898 19.017 -0.394 283 HA ALA 34 HA ALA 34 16.765 16.374 -1.220 284 HB1 ALA 34 1HB ALA 34 15.808 15.594 0.676 285 HB2 ALA 34 2HB ALA 34 15.960 17.283 1.163 286 HB3 ALA 34 3HB ALA 34 14.420 16.676 0.553 287 H ARG 35 H ARG 35 13.550 17.899 -0.922 288 HA ARG 35 HA ARG 35 12.166 16.069 -2.483 289 HB2 ARG 35 1HB ARG 35 10.488 17.894 -2.792 290 HB3 ARG 35 2HB ARG 35 10.967 17.637 -1.120 291 HG2 ARG 35 1HG ARG 35 12.502 19.557 -1.294 292 HG3 ARG 35 2HG ARG 35 11.930 19.833 -2.940 293 HD2 ARG 35 1HD ARG 35 10.132 20.917 -2.205 294 HD3 ARG 35 2HD ARG 35 9.715 19.597 -1.114 295 HE ARG 35 HE ARG 35 11.089 22.038 -0.445 296 HH11 ARG 35 1HH1 ARG 35 10.465 18.739 0.474 297 HH12 ARG 35 2HH1 ARG 35 10.820 19.002 2.150 298 HH21 ARG 35 1HH2 ARG 35 11.558 22.397 1.758 299 HH22 ARG 35 2HH2 ARG 35 11.440 21.083 2.879 300 H GLU 36 H GLU 36 13.782 19.073 -3.449 301 HA GLU 36 HA GLU 36 13.005 19.020 -6.153 302 HB2 GLU 36 1HB GLU 36 13.942 21.008 -5.012 303 HB3 GLU 36 2HB GLU 36 15.509 20.214 -4.953 304 HG2 GLU 36 1HG GLU 36 15.786 20.336 -7.276 305 HG3 GLU 36 2HG GLU 36 14.083 20.703 -7.543 306 H ARG 37 H ARG 37 15.405 17.266 -4.397 307 HA ARG 37 HA ARG 37 16.975 16.531 -6.690 308 HB2 ARG 37 1HB ARG 37 17.982 16.637 -4.458 309 HB3 ARG 37 2HB ARG 37 16.900 15.368 -3.900 310 HG2 ARG 37 1HG ARG 37 18.019 14.099 -5.971 311 HG3 ARG 37 2HG ARG 37 19.337 15.196 -5.554 312 HD2 ARG 37 1HD ARG 37 19.270 14.392 -3.243 313 HD3 ARG 37 2HD ARG 37 17.950 13.300 -3.661 314 HE ARG 37 HE ARG 37 20.308 12.928 -5.261 315 HH11 ARG 37 1HH1 ARG 37 18.703 12.089 -2.288 316 HH12 ARG 37 2HH1 ARG 37 19.557 10.594 -2.096 317 HH21 ARG 37 1HH2 ARG 37 21.440 10.963 -5.019 318 HH22 ARG 37 2HH2 ARG 37 21.115 9.955 -3.649 319 H VAL 38 H VAL 38 15.012 14.569 -4.443 320 HA VAL 38 HA VAL 38 14.928 12.251 -5.952 321 HB VAL 38 HB VAL 38 12.695 11.836 -4.771 322 HG11 VAL 38 1HG1 VAL 38 14.895 11.039 -3.975 323 HG12 VAL 38 2HG1 VAL 38 15.072 12.531 -3.050 324 HG13 VAL 38 3HG1 VAL 38 13.777 11.397 -2.660 325 HG21 VAL 38 3HG2 VAL 38 12.429 14.421 -4.509 326 HG22 VAL 38 1HG2 VAL 38 11.868 13.340 -3.233 327 HG23 VAL 38 2HG2 VAL 38 13.410 14.179 -3.063 328 H ALA 39 H ALA 39 13.185 15.219 -6.379 329 HA ALA 39 HA ALA 39 10.999 14.366 -7.878 330 HB1 ALA 39 1HB ALA 39 12.400 16.878 -7.418 331 HB2 ALA 39 2HB ALA 39 11.659 16.778 -9.016 332 HB3 ALA 39 3HB ALA 39 10.673 16.554 -7.571 333 H ASP 40 H ASP 40 14.352 14.713 -8.762 334 HA ASP 40 HA ASP 40 13.824 14.450 -11.599 335 HB2 ASP 40 1HB ASP 40 15.751 15.780 -10.485 336 HB3 ASP 40 2HB ASP 40 16.538 14.212 -10.329 337 H GLN 41 H GLN 41 14.258 12.386 -8.939 338 HA GLN 41 HA GLN 41 15.405 10.179 -10.384 339 HB2 GLN 41 1HB GLN 41 14.175 10.419 -7.640 340 HB3 GLN 41 2HB GLN 41 14.793 8.902 -8.282 341 HG2 GLN 41 1HG GLN 41 16.480 11.376 -8.090 342 HG3 GLN 41 2HG GLN 41 16.332 10.219 -6.769 343 HE21 GLN 41 2HE2 GLN 41 17.274 8.207 -6.953 344 HE22 GLN 41 1HE2 GLN 41 18.414 7.820 -8.191 345 H ILE 42 H ILE 42 12.206 10.838 -8.962 346 HA ILE 42 HA ILE 42 11.066 8.592 -10.416 347 HB ILE 42 HB ILE 42 9.126 8.847 -9.128 348 HG12 ILE 42 1HG1 ILE 42 10.076 11.600 -8.307 349 HG13 ILE 42 2HG1 ILE 42 8.870 11.289 -9.552 350 HG21 ILE 42 1HG2 ILE 42 9.889 8.814 -6.871 351 HG22 ILE 42 2HG2 ILE 42 11.174 8.141 -7.873 352 HG23 ILE 42 3HG2 ILE 42 11.300 9.794 -7.272 353 HD11 ILE 42 3HD1 ILE 42 8.660 11.067 -6.603 354 HD12 ILE 42 1HD1 ILE 42 7.517 11.719 -7.778 355 HD13 ILE 42 2HD1 ILE 42 7.697 9.973 -7.597 356 H ARG 43 H ARG 43 11.722 11.772 -11.073 357 HA ARG 43 HA ARG 43 11.140 13.155 -12.785 358 HB2 ARG 43 1HB ARG 43 11.030 10.906 -14.015 359 HB3 ARG 43 2HB ARG 43 9.288 11.012 -13.805 360 HG2 ARG 43 1HG ARG 43 9.837 11.820 -15.980 361 HG3 ARG 43 2HG ARG 43 9.337 13.194 -14.992 362 HD2 ARG 43 1HD ARG 43 11.585 13.909 -14.703 363 HD3 ARG 43 2HD ARG 43 12.216 12.411 -15.388 364 HE ARG 43 HE ARG 43 10.670 13.558 -17.361 365 HH11 ARG 43 1HH1 ARG 43 13.488 14.431 -15.512 366 HH12 ARG 43 2HH1 ARG 43 14.165 15.417 -16.766 367 HH21 ARG 43 1HH2 ARG 43 11.552 14.853 -19.019 368 HH22 ARG 43 2HH2 ARG 43 13.063 15.657 -18.760 369 H LEU 44 H LEU 44 10.001 13.992 -10.688 370 HA LEU 44 HA LEU 44 7.274 14.666 -11.477 371 HB2 LEU 44 1HB LEU 44 7.220 12.719 -9.886 372 HB3 LEU 44 2HB LEU 44 7.923 13.785 -8.672 373 HG LEU 44 HG LEU 44 5.946 15.195 -8.729 374 HD11 LEU 44 1HD1 LEU 44 3.964 14.484 -10.022 375 HD12 LEU 44 2HD1 LEU 44 4.955 13.263 -10.819 376 HD13 LEU 44 3HD1 LEU 44 5.317 14.974 -11.043 377 HD21 LEU 44 3HD2 LEU 44 5.077 12.322 -8.493 378 HD22 LEU 44 1HD2 LEU 44 4.438 13.725 -7.635 379 HD23 LEU 44 2HD2 LEU 44 6.064 13.141 -7.281 380 H GLN 45 H GLN 45 6.398 16.474 -10.110 381 HA GLN 45 HA GLN 45 8.117 18.661 -10.148 382 HB2 GLN 45 1HB GLN 45 5.387 18.124 -9.327 383 HB3 GLN 45 2HB GLN 45 6.155 19.299 -8.268 384 HG2 GLN 45 1HG GLN 45 6.274 19.582 -11.245 385 HG3 GLN 45 2HG GLN 45 4.884 20.149 -10.321 386 HE21 GLN 45 2HE2 GLN 45 5.260 21.747 -8.673 387 HE22 GLN 45 1HE2 GLN 45 6.570 22.861 -8.840 388 H GLU 46 H GLU 46 9.052 19.911 -8.468 389 HA GLU 46 HA GLU 46 10.319 18.345 -6.451 390 HB2 GLU 46 1HB GLU 46 11.263 20.556 -5.717 391 HB3 GLU 46 2HB GLU 46 11.564 20.146 -7.400 392 HG2 GLU 46 1HG GLU 46 9.146 21.581 -7.341 393 HG3 GLU 46 2HG GLU 46 10.279 22.445 -6.303 394 H SER 47 H SER 47 7.664 20.650 -6.493 395 HA SER 47 HA SER 47 7.399 20.634 -3.612 396 HB2 SER 47 1HB SER 47 5.459 22.103 -4.008 397 HB3 SER 47 2HB SER 47 6.888 22.681 -4.864 398 HG SER 47 HG SER 47 5.865 22.422 -6.675 399 H ARG 48 H ARG 48 6.011 19.011 -6.357 400 HA ARG 48 HA ARG 48 3.699 18.012 -5.011 401 HB2 ARG 48 1HB ARG 48 3.856 18.240 -7.478 402 HB3 ARG 48 2HB ARG 48 5.057 16.956 -7.496 403 HG2 ARG 48 1HG ARG 48 3.395 15.517 -7.752 404 HG3 ARG 48 2HG ARG 48 2.893 15.895 -6.102 405 HD2 ARG 48 1HD ARG 48 2.047 17.716 -8.298 406 HD3 ARG 48 2HD ARG 48 1.242 16.155 -8.147 407 HE ARG 48 HE ARG 48 1.311 17.419 -5.634 408 HH11 ARG 48 1HH1 ARG 48 -0.226 17.683 -8.747 409 HH12 ARG 48 2HH1 ARG 48 -1.659 18.429 -8.121 410 HH21 ARG 48 1HH2 ARG 48 -0.570 18.401 -4.798 411 HH22 ARG 48 2HH2 ARG 48 -1.853 18.838 -5.875 412 H ILE 49 H ILE 49 6.862 16.628 -5.847 413 HA ILE 49 HA ILE 49 6.492 14.049 -4.919 414 HB ILE 49 HB ILE 49 8.596 15.345 -5.988 415 HG12 ILE 49 1HG1 ILE 49 8.752 12.802 -4.354 416 HG13 ILE 49 2HG1 ILE 49 8.181 12.917 -6.015 417 HG21 ILE 49 1HG2 ILE 49 10.375 15.653 -4.501 418 HG22 ILE 49 2HG2 ILE 49 8.988 16.359 -3.672 419 HG23 ILE 49 3HG2 ILE 49 9.570 14.759 -3.211 420 HD11 ILE 49 3HD1 ILE 49 10.819 14.064 -5.688 421 HD12 ILE 49 1HD1 ILE 49 10.753 12.373 -5.194 422 HD13 ILE 49 2HD1 ILE 49 10.247 12.837 -6.818 423 H GLN 50 H GLN 50 6.750 16.979 -3.132 424 HA GLN 50 HA GLN 50 7.690 16.002 -0.674 425 HB2 GLN 50 1HB GLN 50 6.787 18.458 -1.684 426 HB3 GLN 50 2HB GLN 50 5.731 18.097 -0.325 427 HG2 GLN 50 1HG GLN 50 7.635 17.866 1.142 428 HG3 GLN 50 2HG GLN 50 8.738 18.111 -0.212 429 HE21 GLN 50 2HE2 GLN 50 7.980 19.590 2.383 430 HE22 GLN 50 1HE2 GLN 50 7.834 21.232 1.869 431 H VAL 51 H VAL 51 4.595 15.784 -2.217 432 HA VAL 51 HA VAL 51 3.120 15.131 0.157 433 HB VAL 51 HB VAL 51 1.251 14.770 -1.234 434 HG11 VAL 51 1HG1 VAL 51 2.904 16.836 -2.680 435 HG12 VAL 51 2HG1 VAL 51 1.143 16.752 -2.588 436 HG13 VAL 51 3HG1 VAL 51 2.087 17.109 -1.141 437 HG21 VAL 51 3HG2 VAL 51 1.753 14.770 -3.834 438 HG22 VAL 51 1HG2 VAL 51 3.291 14.102 -3.288 439 HG23 VAL 51 2HG2 VAL 51 1.782 13.284 -2.885 440 H TRP 52 H TRP 52 4.800 13.351 -2.352 441 HA TRP 52 HA TRP 52 3.810 10.794 -1.414 442 HB2 TRP 52 1HB TRP 52 5.977 11.333 -3.452 443 HB3 TRP 52 2HB TRP 52 5.096 9.827 -3.213 444 HD1 TRP 52 HD1 TRP 52 5.217 12.317 -5.684 445 HE1 TRP 52 HE1 TRP 52 2.959 12.708 -6.856 446 HE3 TRP 52 HE3 TRP 52 2.134 10.080 -2.274 447 HZ2 TRP 52 HZ2 TRP 52 0.232 12.144 -6.395 448 HZ3 TRP 52 HZ3 TRP 52 -0.287 10.049 -2.714 449 HH2 TRP 52 HH2 TRP 52 -1.216 11.060 -4.733 450 H PHE 53 H PHE 53 6.400 12.901 -0.731 451 HA PHE 53 HA PHE 53 8.458 11.166 -0.033 452 HB2 PHE 53 1HB PHE 53 8.833 13.548 -0.112 453 HB3 PHE 53 2HB PHE 53 7.667 13.820 1.178 454 HD1 PHE 53 HD2 PHE 53 10.603 11.558 0.722 455 HD2 PHE 53 HD1 PHE 53 8.666 14.492 3.121 456 HE1 PHE 53 HE2 PHE 53 12.409 11.386 2.384 457 HE2 PHE 53 HE1 PHE 53 10.469 14.326 4.786 458 HZ PHE 53 HZ PHE 53 12.343 12.771 4.420 459 H LYS 54 H LYS 54 5.420 11.678 1.465 460 HA LYS 54 HA LYS 54 6.252 10.587 4.029 461 HB2 LYS 54 1HB LYS 54 4.385 12.412 3.456 462 HB3 LYS 54 2HB LYS 54 3.377 10.973 3.365 463 HG2 LYS 54 1HG LYS 54 4.850 10.679 5.713 464 HG3 LYS 54 2HG LYS 54 4.368 12.377 5.672 465 HD2 LYS 54 1HD LYS 54 2.051 11.759 5.409 466 HD3 LYS 54 2HD LYS 54 2.484 10.053 5.277 467 HE2 LYS 54 1HE LYS 54 2.391 9.838 7.484 468 HE3 LYS 54 2HE LYS 54 3.608 11.099 7.678 469 HZ1 LYS 54 3HZ LYS 54 1.326 11.425 8.760 470 HZ2 LYS 54 1HZ LYS 54 0.781 11.794 7.201 471 HZ3 LYS 54 2HZ LYS 54 1.997 12.727 7.914 472 H ASN 55 H ASN 55 5.078 9.462 1.039 473 HA ASN 55 HA ASN 55 3.448 7.363 1.485 474 HB2 ASN 55 1HB ASN 55 4.268 7.859 -0.737 475 HB3 ASN 55 2HB ASN 55 5.903 7.389 -0.282 476 HD21 ASN 55 2HD2 ASN 55 2.753 5.867 0.281 477 HD22 ASN 55 1HD2 ASN 55 3.153 4.365 -0.473 478 H ARG 56 H ARG 56 6.964 6.792 1.361 479 HA ARG 56 HA ARG 56 6.649 4.438 3.020 480 HB2 ARG 56 1HB ARG 56 8.247 4.829 0.956 481 HB3 ARG 56 2HB ARG 56 9.319 5.485 2.185 482 HG2 ARG 56 1HG ARG 56 8.302 3.009 3.131 483 HG3 ARG 56 2HG ARG 56 8.885 2.781 1.481 484 HD2 ARG 56 1HD ARG 56 11.047 3.585 2.044 485 HD3 ARG 56 2HD ARG 56 10.493 4.170 3.612 486 HE ARG 56 HE ARG 56 11.331 1.518 2.966 487 HH11 ARG 56 1HH1 ARG 56 9.221 3.380 5.016 488 HH12 ARG 56 2HH1 ARG 56 9.173 2.188 6.272 489 HH21 ARG 56 1HH2 ARG 56 11.276 -0.060 4.613 490 HH22 ARG 56 2HH2 ARG 56 10.344 0.232 6.042 491 H ARG 57 H ARG 57 8.132 7.635 3.231 492 HA ARG 57 HA ARG 57 9.560 7.424 5.568 493 HB2 ARG 57 1HB ARG 57 9.583 9.446 4.231 494 HB3 ARG 57 2HB ARG 57 7.890 9.748 4.599 495 HG2 ARG 57 1HG ARG 57 9.654 9.495 6.935 496 HG3 ARG 57 2HG ARG 57 9.959 10.889 5.898 497 HD2 ARG 57 1HD ARG 57 7.935 11.844 6.352 498 HD3 ARG 57 2HD ARG 57 7.144 10.292 6.629 499 HE ARG 57 HE ARG 57 8.974 10.646 8.682 500 HH11 ARG 57 1HH1 ARG 57 6.101 12.202 7.481 501 HH12 ARG 57 2HH1 ARG 57 5.618 12.800 9.034 502 HH21 ARG 57 1HH2 ARG 57 8.348 11.427 10.732 503 HH22 ARG 57 2HH2 ARG 57 6.897 12.359 10.882 504 H ALA 58 H ALA 58 6.112 7.477 5.138 505 HA ALA 58 HA ALA 58 5.597 7.876 7.972 506 HB1 ALA 58 1HB ALA 58 4.153 8.877 6.189 507 HB2 ALA 58 2HB ALA 58 3.601 7.245 5.808 508 HB3 ALA 58 3HB ALA 58 3.285 7.933 7.400 509 H LYS 59 H LYS 59 5.583 5.298 5.591 510 HA LYS 59 HA LYS 59 4.218 3.335 7.030 511 HB2 LYS 59 1HB LYS 59 5.954 3.446 4.701 512 HB3 LYS 59 2HB LYS 59 6.194 1.968 5.623 513 HG2 LYS 59 1HG LYS 59 4.550 1.435 4.056 514 HG3 LYS 59 2HG LYS 59 3.661 1.710 5.556 515 HD2 LYS 59 1HD LYS 59 3.537 4.176 4.614 516 HD3 LYS 59 2HD LYS 59 3.764 3.348 3.072 517 HE2 LYS 59 1HE LYS 59 1.663 2.529 5.061 518 HE3 LYS 59 2HE LYS 59 1.368 3.741 3.816 519 HZ1 LYS 59 3HZ LYS 59 0.783 2.002 2.570 520 HZ2 LYS 59 1HZ LYS 59 1.536 0.877 3.585 521 HZ3 LYS 59 2HZ LYS 59 2.440 1.699 2.416 522 H TYR 60 H TYR 60 7.345 4.679 7.506 523 HA TYR 60 HA TYR 60 8.772 2.656 8.707 524 HB2 TYR 60 1HB TYR 60 10.193 4.287 9.445 525 HB3 TYR 60 2HB TYR 60 9.264 5.251 8.301 526 HD1 TYR 60 HD1 TYR 60 7.163 6.461 9.294 527 HD2 TYR 60 HD2 TYR 60 10.425 5.036 11.625 528 HE1 TYR 60 HE1 TYR 60 6.544 8.013 11.099 529 HE2 TYR 60 HE2 TYR 60 9.814 6.584 13.437 530 HH TYR 60 HH TYR 60 7.253 7.800 14.032 531 H ARG 61 H ARG 61 6.041 4.428 9.941 532 HA ARG 61 HA ARG 61 6.373 3.595 12.666 533 HB2 ARG 61 1HB ARG 61 5.094 5.654 11.750 534 HB3 ARG 61 2HB ARG 61 3.776 4.523 11.476 535 HG2 ARG 61 1HG ARG 61 3.704 3.981 13.830 536 HG3 ARG 61 2HG ARG 61 5.097 5.020 14.135 537 HD2 ARG 61 1HD ARG 61 2.610 6.104 12.863 538 HD3 ARG 61 2HD ARG 61 2.731 5.934 14.614 539 HE ARG 61 HE ARG 61 4.996 7.295 13.658 540 HH11 ARG 61 1HH1 ARG 61 1.573 7.751 14.097 541 HH12 ARG 61 2HH1 ARG 61 1.694 9.468 14.291 542 HH21 ARG 61 1HH2 ARG 61 5.169 9.555 13.913 543 HH22 ARG 61 2HH2 ARG 61 3.740 10.493 14.186 544 H LEU 62 H LEU 62 4.500 2.495 9.889 545 HA LEU 62 HA LEU 62 2.867 0.633 11.189 546 HB2 LEU 62 1HB LEU 62 2.800 1.481 8.767 547 HB3 LEU 62 2HB LEU 62 3.978 0.213 8.434 548 HG LEU 62 HG LEU 62 1.284 -0.353 9.651 549 HD11 LEU 62 1HD1 LEU 62 0.691 0.607 7.605 550 HD12 LEU 62 2HD1 LEU 62 0.743 -1.124 7.275 551 HD13 LEU 62 3HD1 LEU 62 2.079 -0.090 6.770 552 HD21 LEU 62 3HD2 LEU 62 2.474 -2.261 9.983 553 HD22 LEU 62 1HD2 LEU 62 3.572 -1.945 8.639 554 HD23 LEU 62 2HD2 LEU 62 1.949 -2.559 8.325 555 H GLN 63 H GLN 63 6.150 0.356 9.930 556 HA GLN 63 HA GLN 63 6.325 -2.458 10.526 557 HB2 GLN 63 1HB GLN 63 8.674 -2.231 9.836 558 HB3 GLN 63 2HB GLN 63 7.576 -1.545 8.646 559 HG2 GLN 63 1HG GLN 63 8.114 0.667 9.292 560 HG3 GLN 63 2HG GLN 63 8.974 0.110 10.725 561 HE21 GLN 63 2HE2 GLN 63 10.873 1.136 10.158 562 HE22 GLN 63 1HE2 GLN 63 11.873 0.594 8.858 563 H GLU 64 H GLU 64 6.983 0.524 12.149 564 HA GLU 64 HA GLU 64 8.891 -0.297 14.017 565 HB2 GLU 64 1HB GLU 64 8.129 2.057 13.618 566 HB3 GLU 64 2HB GLU 64 6.656 1.677 14.499 567 HG2 GLU 64 1HG GLU 64 7.834 1.357 16.522 568 HG3 GLU 64 2HG GLU 64 9.392 1.368 15.696 569 H LYS 65 H LYS 65 5.366 -0.037 14.510 570 HA LYS 65 HA LYS 65 5.351 -1.375 16.985 571 HB2 LYS 65 1HB LYS 65 2.910 -1.589 16.616 572 HB3 LYS 65 2HB LYS 65 3.502 0.042 16.329 573 HG2 LYS 65 1HG LYS 65 2.253 -0.121 14.472 574 HG3 LYS 65 2HG LYS 65 3.670 -0.961 13.839 575 HD2 LYS 65 1HD LYS 65 2.016 -2.462 13.306 576 HD3 LYS 65 2HD LYS 65 2.499 -3.063 14.894 577 HE2 LYS 65 1HE LYS 65 0.315 -1.035 14.659 578 HE3 LYS 65 2HE LYS 65 -0.025 -2.735 14.340 579 HZ1 LYS 65 3HZ LYS 65 1.208 -3.017 16.621 580 HZ2 LYS 65 1HZ LYS 65 -0.441 -2.644 16.560 581 HZ3 LYS 65 2HZ LYS 65 0.692 -1.423 16.856 582 H GLN 66 H GLN 66 5.317 -2.524 13.703 583 HA GLN 66 HA GLN 66 4.360 -5.143 14.230 584 HB2 GLN 66 1HB GLN 66 5.762 -3.804 11.962 585 HB3 GLN 66 2HB GLN 66 5.721 -5.562 11.997 586 HG2 GLN 66 1HG GLN 66 3.173 -4.094 12.397 587 HG3 GLN 66 2HG GLN 66 3.864 -4.148 10.776 588 HE21 GLN 66 2HE2 GLN 66 4.696 -6.470 10.242 589 HE22 GLN 66 1HE2 GLN 66 3.552 -7.729 10.544 590 H LYS 67 H LYS 67 7.654 -3.906 13.657 591 HA LYS 67 HA LYS 67 8.895 -6.385 14.339 592 HB2 LYS 67 1HB LYS 67 9.828 -3.626 13.702 593 HB3 LYS 67 2HB LYS 67 10.946 -4.704 14.528 594 HG2 LYS 67 1HG LYS 67 10.934 -6.246 12.745 595 HG3 LYS 67 2HG LYS 67 9.533 -5.478 11.993 596 HD2 LYS 67 1HD LYS 67 10.928 -3.434 11.657 597 HD3 LYS 67 2HD LYS 67 12.319 -4.349 12.243 598 HE2 LYS 67 1HE LYS 67 11.818 -6.027 10.421 599 HE3 LYS 67 2HE LYS 67 10.672 -4.855 9.774 600 HZ1 LYS 67 3HZ LYS 67 13.472 -4.087 10.294 601 HZ2 LYS 67 1HZ LYS 67 12.355 -3.383 9.235 602 HZ3 LYS 67 2HZ LYS 67 13.050 -4.878 8.859 603 HA PRO 68 HA PRO 68 9.301 -6.110 18.699 604 HB2 PRO 68 1HB PRO 68 11.820 -7.033 19.115 605 HB3 PRO 68 2HB PRO 68 10.484 -8.079 18.620 606 HG2 PRO 68 1HG PRO 68 12.652 -6.861 16.954 607 HG3 PRO 68 2HG PRO 68 11.990 -8.505 16.900 608 HD2 PRO 68 1HD PRO 68 11.267 -6.584 15.134 609 HD3 PRO 68 2HD PRO 68 10.152 -7.859 15.668 Start of MODEL 5 1 H1 GLY 1 H GLY 1 0.877 -1.264 -1.866 2 HA2 GLY 1 1HA GLY 1 2.542 -0.308 -0.540 3 HA3 GLY 1 2HA GLY 1 3.516 -0.942 -1.858 4 HA PRO 2 HA PRO 2 4.873 3.076 -2.947 5 HB2 PRO 2 1HB PRO 2 4.825 3.041 -5.661 6 HB3 PRO 2 2HB PRO 2 6.008 2.136 -4.710 7 HG2 PRO 2 1HG PRO 2 3.480 1.179 -5.997 8 HG3 PRO 2 2HG PRO 2 5.075 0.405 -5.951 9 HD2 PRO 2 1HD PRO 2 3.049 -0.332 -4.312 10 HD3 PRO 2 2HD PRO 2 4.754 -0.416 -3.821 11 H ARG 3 H ARG 3 2.802 3.947 -2.013 12 HA ARG 3 HA ARG 3 1.714 5.911 -3.673 13 HB2 ARG 3 1HB ARG 3 -0.686 5.009 -3.673 14 HB3 ARG 3 2HB ARG 3 0.435 4.333 -4.847 15 HG2 ARG 3 1HG ARG 3 0.670 2.332 -3.615 16 HG3 ARG 3 2HG ARG 3 -0.124 3.027 -2.201 17 HD2 ARG 3 1HD ARG 3 -2.207 3.225 -3.531 18 HD3 ARG 3 2HD ARG 3 -1.394 2.406 -4.864 19 HE ARG 3 HE ARG 3 -1.155 0.789 -2.611 20 HH11 ARG 3 1HH1 ARG 3 -3.658 2.019 -4.694 21 HH12 ARG 3 2HH1 ARG 3 -4.707 0.662 -4.452 22 HH21 ARG 3 1HH2 ARG 3 -2.527 -1.003 -2.284 23 HH22 ARG 3 2HH2 ARG 3 -4.064 -1.056 -3.080 24 H LYS 4 H LYS 4 0.793 7.470 -2.454 25 HA LYS 4 HA LYS 4 0.419 6.873 0.395 26 HB2 LYS 4 1HB LYS 4 2.019 8.698 -0.419 27 HB3 LYS 4 2HB LYS 4 0.581 9.615 -0.845 28 HG2 LYS 4 1HG LYS 4 0.668 8.541 1.899 29 HG3 LYS 4 2HG LYS 4 1.825 9.818 1.518 30 HD2 LYS 4 1HD LYS 4 -0.368 10.899 0.438 31 HD3 LYS 4 2HD LYS 4 -1.133 9.912 1.686 32 HE2 LYS 4 1HE LYS 4 -0.774 11.853 2.850 33 HE3 LYS 4 2HE LYS 4 0.716 10.984 3.212 34 HZ1 LYS 4 3HZ LYS 4 1.928 12.293 1.755 35 HZ2 LYS 4 1HZ LYS 4 0.872 13.411 2.461 36 HZ3 LYS 4 2HZ LYS 4 0.562 12.819 0.907 37 H ASN 5 H ASN 5 -1.255 7.841 -2.464 38 HA ASN 5 HA ASN 5 -3.747 7.983 -0.919 39 HB2 ASN 5 1HB ASN 5 -2.653 10.021 -2.812 40 HB3 ASN 5 2HB ASN 5 -4.395 9.762 -2.770 41 HD21 ASN 5 2HD2 ASN 5 -4.958 9.353 -0.198 42 HD22 ASN 5 1HD2 ASN 5 -4.526 10.724 0.760 43 H ARG 6 H ARG 6 -2.749 8.242 -4.335 44 HA ARG 6 HA ARG 6 -3.830 5.703 -5.037 45 HB2 ARG 6 1HB ARG 6 -5.635 6.598 -6.531 46 HB3 ARG 6 2HB ARG 6 -5.964 6.759 -4.811 47 HG2 ARG 6 1HG ARG 6 -4.681 9.127 -5.527 48 HG3 ARG 6 2HG ARG 6 -5.804 8.785 -6.845 49 HD2 ARG 6 1HD ARG 6 -7.449 8.284 -4.840 50 HD3 ARG 6 2HD ARG 6 -6.348 9.356 -3.976 51 HE ARG 6 HE ARG 6 -7.012 10.620 -6.354 52 HH11 ARG 6 1HH1 ARG 6 -8.622 9.519 -3.470 53 HH12 ARG 6 2HH1 ARG 6 -9.854 10.735 -3.537 54 HH21 ARG 6 1HH2 ARG 6 -8.630 12.226 -6.453 55 HH22 ARG 6 2HH2 ARG 6 -9.858 12.273 -5.235 56 H ARG 7 H ARG 7 -2.837 8.918 -6.084 57 HA ARG 7 HA ARG 7 -2.196 8.149 -8.754 58 HB2 ARG 7 1HB ARG 7 -2.390 10.551 -7.341 59 HB3 ARG 7 2HB ARG 7 -0.695 10.436 -7.793 60 HG2 ARG 7 1HG ARG 7 -1.187 10.402 -10.080 61 HG3 ARG 7 2HG ARG 7 -2.886 10.020 -9.794 62 HD2 ARG 7 1HD ARG 7 -2.171 12.471 -8.472 63 HD3 ARG 7 2HD ARG 7 -1.738 12.548 -10.180 64 HE ARG 7 HE ARG 7 -4.365 12.598 -9.078 65 HH11 ARG 7 1HH1 ARG 7 -2.508 11.561 -11.833 66 HH12 ARG 7 2HH1 ARG 7 -3.851 11.623 -12.926 67 HH21 ARG 7 1HH2 ARG 7 -6.141 12.685 -10.507 68 HH22 ARG 7 2HH2 ARG 7 -5.916 12.264 -12.171 69 H GLU 8 H GLU 8 0.029 8.299 -9.651 70 HA GLU 8 HA GLU 8 2.337 8.060 -8.086 71 HB2 GLU 8 1HB GLU 8 2.696 5.541 -8.653 72 HB3 GLU 8 2HB GLU 8 1.755 5.988 -7.237 73 HG2 GLU 8 1HG GLU 8 -0.308 5.652 -8.505 74 HG3 GLU 8 2HG GLU 8 0.641 5.188 -9.916 75 H ARG 9 H ARG 9 4.207 7.139 -9.390 76 HA ARG 9 HA ARG 9 4.372 8.439 -11.848 77 HB2 ARG 9 1HB ARG 9 6.250 7.565 -10.306 78 HB3 ARG 9 2HB ARG 9 6.061 6.045 -11.170 79 HG2 ARG 9 1HG ARG 9 6.442 8.546 -12.737 80 HG3 ARG 9 2HG ARG 9 7.831 7.821 -11.924 81 HD2 ARG 9 1HD ARG 9 7.923 6.097 -13.360 82 HD3 ARG 9 2HD ARG 9 6.169 5.915 -13.402 83 HE ARG 9 HE ARG 9 6.825 8.231 -14.810 84 HH11 ARG 9 1HH1 ARG 9 7.277 4.788 -15.052 85 HH12 ARG 9 2HH1 ARG 9 7.340 4.786 -16.783 86 HH21 ARG 9 1HH2 ARG 9 6.907 8.242 -17.090 87 HH22 ARG 9 2HH2 ARG 9 7.130 6.752 -17.941 88 H THR 10 H THR 10 3.212 5.270 -11.046 89 HA THR 10 HA THR 10 1.957 4.894 -13.535 90 HB THR 10 HB THR 10 4.378 4.488 -14.188 91 HG1 THR 10 HG1 THR 10 3.717 2.406 -15.254 92 HG21 THR 10 3HG2 THR 10 5.620 2.905 -13.202 93 HG22 THR 10 1HG2 THR 10 4.302 1.735 -13.235 94 HG23 THR 10 2HG2 THR 10 4.405 2.910 -11.924 95 H THR 11 H THR 11 1.683 2.220 -13.741 96 HA THR 11 HA THR 11 -0.177 1.519 -11.859 97 HB THR 11 HB THR 11 0.170 -0.842 -12.532 98 HG1 THR 11 HG1 THR 11 2.401 0.252 -13.932 99 HG21 THR 11 3HG2 THR 11 -1.252 0.138 -14.035 100 HG22 THR 11 1HG2 THR 11 0.074 -0.279 -15.120 101 HG23 THR 11 2HG2 THR 11 -0.081 1.368 -14.509 102 H TYR 12 H TYR 12 3.230 0.464 -11.891 103 HA TYR 12 HA TYR 12 3.383 0.577 -9.030 104 HB2 TYR 12 1HB TYR 12 2.990 -2.023 -10.424 105 HB3 TYR 12 2HB TYR 12 4.157 -1.977 -9.108 106 HD1 TYR 12 HD2 TYR 12 3.297 -0.895 -6.880 107 HD2 TYR 12 HD1 TYR 12 0.757 -2.409 -9.940 108 HE1 TYR 12 HE2 TYR 12 1.470 -1.114 -5.248 109 HE2 TYR 12 HE1 TYR 12 -1.077 -2.631 -8.316 110 HH TYR 12 HH TYR 12 -0.826 -2.821 -5.274 111 H SER 13 H SER 13 5.262 1.624 -8.926 112 HA SER 13 HA SER 13 7.603 0.383 -10.184 113 HB2 SER 13 1HB SER 13 8.289 2.982 -10.440 114 HB3 SER 13 2HB SER 13 7.505 2.062 -11.724 115 HG SER 13 HG SER 13 6.426 4.027 -11.348 116 H ARG 14 H ARG 14 9.653 1.100 -9.233 117 HA ARG 14 HA ARG 14 9.420 1.280 -6.366 118 HB2 ARG 14 1HB ARG 14 11.867 1.046 -6.375 119 HB3 ARG 14 2HB ARG 14 11.093 -0.191 -7.355 120 HG2 ARG 14 1HG ARG 14 11.879 2.230 -8.815 121 HG3 ARG 14 2HG ARG 14 13.211 1.289 -8.142 122 HD2 ARG 14 1HD ARG 14 11.756 -0.697 -9.200 123 HD3 ARG 14 2HD ARG 14 11.291 0.611 -10.287 124 HE ARG 14 HE ARG 14 13.387 0.547 -11.202 125 HH11 ARG 14 1HH1 ARG 14 13.414 -1.168 -8.173 126 HH12 ARG 14 2HH1 ARG 14 15.020 -1.782 -8.385 127 HH21 ARG 14 1HH2 ARG 14 15.503 -0.255 -11.493 128 HH22 ARG 14 2HH2 ARG 14 16.207 -1.261 -10.274 129 H GLN 15 H GLN 15 9.861 3.465 -8.959 130 HA GLN 15 HA GLN 15 11.420 5.478 -7.916 131 HB2 GLN 15 1HB GLN 15 8.936 5.692 -9.621 132 HB3 GLN 15 2HB GLN 15 10.025 7.036 -9.303 133 HG2 GLN 15 1HG GLN 15 10.921 6.368 -11.256 134 HG3 GLN 15 2HG GLN 15 11.804 5.266 -10.201 135 HE21 GLN 15 2HE2 GLN 15 11.616 3.149 -10.529 136 HE22 GLN 15 1HE2 GLN 15 10.496 2.402 -11.613 137 H GLN 16 H GLN 16 7.913 5.044 -7.494 138 HA GLN 16 HA GLN 16 7.407 7.278 -5.930 139 HB2 GLN 16 1HB GLN 16 6.112 4.550 -5.868 140 HB3 GLN 16 2HB GLN 16 5.476 5.956 -5.025 141 HG2 GLN 16 1HG GLN 16 4.238 5.996 -6.944 142 HG3 GLN 16 2HG GLN 16 5.574 7.059 -7.384 143 HE21 GLN 16 2HE2 GLN 16 3.948 4.114 -8.019 144 HE22 GLN 16 1HE2 GLN 16 4.916 3.605 -9.356 145 H LEU 17 H LEU 17 8.786 4.183 -5.048 146 HA LEU 17 HA LEU 17 8.737 4.833 -2.213 147 HB2 LEU 17 1HB LEU 17 9.793 2.444 -3.715 148 HB3 LEU 17 2HB LEU 17 9.844 2.619 -1.962 149 HG LEU 17 HG LEU 17 7.187 2.860 -3.248 150 HD11 LEU 17 1HD1 LEU 17 8.236 0.989 -4.468 151 HD12 LEU 17 2HD1 LEU 17 6.893 0.476 -3.447 152 HD13 LEU 17 3HD1 LEU 17 8.554 0.193 -2.926 153 HD21 LEU 17 3HD2 LEU 17 7.972 1.210 -0.872 154 HD22 LEU 17 1HD2 LEU 17 6.424 1.973 -1.237 155 HD23 LEU 17 2HD2 LEU 17 7.800 2.962 -0.749 156 H GLU 18 H GLU 18 10.729 5.406 -4.852 157 HA GLU 18 HA GLU 18 13.275 5.209 -3.573 158 HB2 GLU 18 1HB GLU 18 12.326 6.549 -6.098 159 HB3 GLU 18 2HB GLU 18 13.990 6.675 -5.546 160 HG2 GLU 18 1HG GLU 18 12.838 3.958 -5.734 161 HG3 GLU 18 2HG GLU 18 13.165 4.804 -7.246 162 H ILE 19 H ILE 19 10.980 7.831 -4.160 163 HA ILE 19 HA ILE 19 12.383 10.054 -3.475 164 HB ILE 19 HB ILE 19 9.603 9.475 -2.451 165 HG12 ILE 19 1HG1 ILE 19 9.523 11.040 -4.799 166 HG13 ILE 19 2HG1 ILE 19 10.600 9.691 -5.142 167 HG21 ILE 19 1HG2 ILE 19 11.134 11.589 -1.832 168 HG22 ILE 19 2HG2 ILE 19 10.415 12.171 -3.333 169 HG23 ILE 19 3HG2 ILE 19 9.380 11.677 -1.993 170 HD11 ILE 19 3HD1 ILE 19 7.977 9.145 -3.853 171 HD12 ILE 19 1HD1 ILE 19 8.032 9.509 -5.577 172 HD13 ILE 19 2HD1 ILE 19 8.937 8.137 -4.936 173 H LEU 20 H LEU 20 11.094 7.623 -1.267 174 HA LEU 20 HA LEU 20 12.164 9.068 1.033 175 HB2 LEU 20 1HB LEU 20 10.955 6.405 1.401 176 HB3 LEU 20 2HB LEU 20 10.736 7.888 2.326 177 HG LEU 20 HG LEU 20 8.634 7.398 1.392 178 HD11 LEU 20 1HD1 LEU 20 9.716 9.757 1.014 179 HD12 LEU 20 2HD1 LEU 20 8.148 9.358 0.312 180 HD13 LEU 20 3HD1 LEU 20 9.601 9.300 -0.686 181 HD21 LEU 20 3HD2 LEU 20 10.087 6.083 -0.582 182 HD22 LEU 20 1HD2 LEU 20 9.246 7.380 -1.431 183 HD23 LEU 20 2HD2 LEU 20 8.332 6.218 -0.469 184 H GLU 21 H GLU 21 12.268 5.687 -0.115 185 HA GLU 21 HA GLU 21 14.279 4.703 1.422 186 HB2 GLU 21 1HB GLU 21 12.925 3.785 -0.751 187 HB3 GLU 21 2HB GLU 21 14.539 3.969 -1.423 188 HG2 GLU 21 1HG GLU 21 15.276 2.668 0.707 189 HG3 GLU 21 2HG GLU 21 13.588 2.163 0.749 190 H THR 22 H THR 22 14.573 6.975 -1.196 191 HA THR 22 HA THR 22 17.481 6.782 -1.218 192 HB THR 22 HB THR 22 15.710 8.653 -2.802 193 HG1 THR 22 HG1 THR 22 16.431 6.978 -4.483 194 HG21 THR 22 3HG2 THR 22 17.855 8.434 -4.313 195 HG22 THR 22 1HG2 THR 22 18.630 8.043 -2.778 196 HG23 THR 22 2HG2 THR 22 17.804 9.588 -2.981 197 H LEU 23 H LEU 23 15.017 9.303 -0.677 198 HA LEU 23 HA LEU 23 16.907 11.194 0.320 199 HB2 LEU 23 1HB LEU 23 14.689 11.713 -0.755 200 HB3 LEU 23 2HB LEU 23 13.928 11.202 0.750 201 HG LEU 23 HG LEU 23 15.961 13.412 0.687 202 HD11 LEU 23 1HD1 LEU 23 13.739 14.821 0.814 203 HD12 LEU 23 2HD1 LEU 23 13.102 13.470 -0.124 204 HD13 LEU 23 3HD1 LEU 23 14.472 14.398 -0.734 205 HD21 LEU 23 3HD2 LEU 23 14.015 13.872 2.608 206 HD22 LEU 23 1HD2 LEU 23 15.640 13.242 2.883 207 HD23 LEU 23 2HD2 LEU 23 14.287 12.130 2.672 208 H PHE 24 H PHE 24 14.163 9.633 1.985 209 HA PHE 24 HA PHE 24 14.732 10.292 4.560 210 HB2 PHE 24 1HB PHE 24 12.734 9.064 4.052 211 HB3 PHE 24 2HB PHE 24 13.663 7.678 3.489 212 HD1 PHE 24 HD1 PHE 24 13.104 9.740 6.538 213 HD2 PHE 24 HD2 PHE 24 14.047 5.916 4.924 214 HE1 PHE 24 HE1 PHE 24 13.014 8.769 8.797 215 HE2 PHE 24 HE2 PHE 24 13.958 4.939 7.180 216 HZ PHE 24 HZ PHE 24 13.440 6.365 9.120 217 H ASN 25 H ASN 25 16.252 7.752 2.650 218 HA ASN 25 HA ASN 25 17.822 6.762 4.846 219 HB2 ASN 25 1HB ASN 25 17.078 5.377 2.869 220 HB3 ASN 25 2HB ASN 25 18.257 6.255 1.899 221 HD21 ASN 25 2HD2 ASN 25 17.877 4.157 4.693 222 HD22 ASN 25 1HD2 ASN 25 19.463 3.473 4.625 223 H GLU 26 H GLU 26 18.380 8.834 2.034 224 HA GLU 26 HA GLU 26 21.125 9.139 2.193 225 HB2 GLU 26 1HB GLU 26 18.888 10.716 1.098 226 HB3 GLU 26 2HB GLU 26 20.348 11.635 1.436 227 HG2 GLU 26 1HG GLU 26 20.547 9.085 -0.090 228 HG3 GLU 26 2HG GLU 26 19.976 10.543 -0.899 229 H THR 27 H THR 27 18.605 11.014 3.853 230 HA THR 27 HA THR 27 20.073 11.380 6.206 231 HB THR 27 HB THR 27 20.109 14.074 5.563 232 HG1 THR 27 HG1 THR 27 20.789 14.288 3.545 233 HG21 THR 27 3HG2 THR 27 22.051 11.933 6.072 234 HG22 THR 27 1HG2 THR 27 21.935 13.547 6.772 235 HG23 THR 27 2HG2 THR 27 22.706 13.321 5.202 236 H GLN 28 H GLN 28 19.098 13.171 7.597 237 HA GLN 28 HA GLN 28 16.204 13.163 7.147 238 HB2 GLN 28 1HB GLN 28 17.777 13.802 9.649 239 HB3 GLN 28 2HB GLN 28 16.024 13.714 9.535 240 HG2 GLN 28 1HG GLN 28 16.273 11.324 8.850 241 HG3 GLN 28 2HG GLN 28 17.992 11.464 9.216 242 HE21 GLN 28 2HE2 GLN 28 14.795 11.956 10.650 243 HE22 GLN 28 1HE2 GLN 28 15.245 11.483 12.249 244 H TYR 29 H TYR 29 17.532 14.930 5.532 245 HA TYR 29 HA TYR 29 17.023 17.547 6.785 246 HB2 TYR 29 1HB TYR 29 18.924 16.711 4.606 247 HB3 TYR 29 2HB TYR 29 18.453 18.394 4.819 248 HD1 TYR 29 HD2 TYR 29 19.607 15.562 6.982 249 HD2 TYR 29 HD1 TYR 29 19.934 19.691 6.007 250 HE1 TYR 29 HE2 TYR 29 21.346 15.824 8.701 251 HE2 TYR 29 HE1 TYR 29 21.675 19.964 7.723 252 HH TYR 29 HH TYR 29 22.198 17.961 10.147 253 HA PRO 30 HA PRO 30 13.663 16.919 3.663 254 HB2 PRO 30 1HB PRO 30 11.713 17.988 5.220 255 HB3 PRO 30 2HB PRO 30 12.187 16.288 5.307 256 HG2 PRO 30 1HG PRO 30 12.980 18.568 7.077 257 HG3 PRO 30 2HG PRO 30 12.518 16.914 7.521 258 HD2 PRO 30 1HD PRO 30 15.099 17.728 7.416 259 HD3 PRO 30 2HD PRO 30 14.605 16.066 7.033 260 H ASP 31 H ASP 31 15.023 18.625 2.614 261 HA ASP 31 HA ASP 31 13.677 21.231 2.834 262 HB2 ASP 31 1HB ASP 31 16.144 20.976 3.781 263 HB3 ASP 31 2HB ASP 31 16.563 21.158 2.080 264 H VAL 32 H VAL 32 14.401 22.623 0.823 265 HA VAL 32 HA VAL 32 13.250 21.531 -1.437 266 HB VAL 32 HB VAL 32 14.438 23.354 -2.712 267 HG11 VAL 32 1HG1 VAL 32 12.345 23.996 -2.004 268 HG12 VAL 32 2HG1 VAL 32 12.750 23.818 -0.296 269 HG13 VAL 32 3HG1 VAL 32 13.358 25.200 -1.208 270 HG21 VAL 32 3HG2 VAL 32 15.592 25.059 -1.266 271 HG22 VAL 32 1HG2 VAL 32 15.629 23.842 0.010 272 HG23 VAL 32 2HG2 VAL 32 16.479 23.554 -1.509 273 H PHE 33 H PHE 33 16.686 21.712 -0.583 274 HA PHE 33 HA PHE 33 17.775 20.722 -2.938 275 HB2 PHE 33 1HB PHE 33 18.646 21.036 -0.165 276 HB3 PHE 33 2HB PHE 33 19.408 19.670 -0.972 277 HD1 PHE 33 HD2 PHE 33 18.957 23.314 -1.013 278 HD2 PHE 33 HD1 PHE 33 20.994 19.991 -2.724 279 HE1 PHE 33 HE2 PHE 33 20.534 24.851 -2.111 280 HE2 PHE 33 HE1 PHE 33 22.575 21.523 -3.824 281 HZ PHE 33 HZ PHE 33 22.345 23.956 -3.519 282 H ALA 34 H ALA 34 15.985 19.103 -0.478 283 HA ALA 34 HA ALA 34 16.857 16.454 -1.282 284 HB1 ALA 34 1HB ALA 34 15.916 15.695 0.626 285 HB2 ALA 34 2HB ALA 34 16.028 17.392 1.092 286 HB3 ALA 34 3HB ALA 34 14.507 16.745 0.479 287 H ARG 35 H ARG 35 13.643 17.987 -1.005 288 HA ARG 35 HA ARG 35 12.262 16.143 -2.556 289 HB2 ARG 35 1HB ARG 35 10.579 17.958 -2.874 290 HB3 ARG 35 2HB ARG 35 11.067 17.728 -1.200 291 HG2 ARG 35 1HG ARG 35 12.626 19.645 -1.451 292 HG3 ARG 35 2HG ARG 35 11.965 19.912 -3.065 293 HD2 ARG 35 1HD ARG 35 10.221 21.008 -2.229 294 HD3 ARG 35 2HD ARG 35 9.839 19.668 -1.150 295 HE ARG 35 HE ARG 35 11.879 20.868 0.123 296 HH11 ARG 35 1HH1 ARG 35 8.928 22.094 -1.258 297 HH12 ARG 35 2HH1 ARG 35 8.788 23.400 -0.129 298 HH21 ARG 35 1HH2 ARG 35 11.707 22.584 1.616 299 HH22 ARG 35 2HH2 ARG 35 10.370 23.679 1.505 300 H GLU 36 H GLU 36 13.858 19.155 -3.539 301 HA GLU 36 HA GLU 36 13.093 19.078 -6.244 302 HB2 GLU 36 1HB GLU 36 14.031 21.071 -5.101 303 HB3 GLU 36 2HB GLU 36 15.601 20.281 -5.060 304 HG2 GLU 36 1HG GLU 36 15.853 20.408 -7.384 305 HG3 GLU 36 2HG GLU 36 14.145 20.763 -7.635 306 H ARG 37 H ARG 37 15.512 17.356 -4.472 307 HA ARG 37 HA ARG 37 17.084 16.606 -6.755 308 HB2 ARG 37 1HB ARG 37 18.081 16.725 -4.520 309 HB3 ARG 37 2HB ARG 37 17.000 15.455 -3.961 310 HG2 ARG 37 1HG ARG 37 18.129 14.176 -6.018 311 HG3 ARG 37 2HG ARG 37 19.442 15.281 -5.608 312 HD2 ARG 37 1HD ARG 37 19.101 14.499 -3.197 313 HD3 ARG 37 2HD ARG 37 18.144 13.190 -3.888 314 HE ARG 37 HE ARG 37 20.090 12.171 -4.489 315 HH11 ARG 37 1HH1 ARG 37 20.716 15.565 -4.027 316 HH12 ARG 37 2HH1 ARG 37 22.426 15.415 -4.266 317 HH21 ARG 37 1HH2 ARG 37 22.340 11.962 -4.806 318 HH22 ARG 37 2HH2 ARG 37 23.348 13.366 -4.710 319 H VAL 38 H VAL 38 15.118 14.648 -4.507 320 HA VAL 38 HA VAL 38 15.045 12.326 -6.014 321 HB VAL 38 HB VAL 38 12.814 11.904 -4.829 322 HG11 VAL 38 1HG1 VAL 38 15.267 12.575 -3.206 323 HG12 VAL 38 2HG1 VAL 38 13.921 11.573 -2.660 324 HG13 VAL 38 3HG1 VAL 38 14.930 11.040 -4.005 325 HG21 VAL 38 3HG2 VAL 38 13.529 14.255 -3.130 326 HG22 VAL 38 1HG2 VAL 38 12.533 14.482 -4.567 327 HG23 VAL 38 2HG2 VAL 38 11.991 13.405 -3.280 328 H ALA 39 H ALA 39 13.297 15.288 -6.445 329 HA ALA 39 HA ALA 39 11.106 14.432 -7.933 330 HB1 ALA 39 1HB ALA 39 10.763 16.618 -7.690 331 HB2 ALA 39 2HB ALA 39 12.481 16.937 -7.449 332 HB3 ALA 39 3HB ALA 39 11.822 16.846 -9.082 333 H ASP 40 H ASP 40 14.457 14.766 -8.831 334 HA ASP 40 HA ASP 40 13.920 14.490 -11.664 335 HB2 ASP 40 1HB ASP 40 15.852 15.822 -10.580 336 HB3 ASP 40 2HB ASP 40 16.632 14.255 -10.385 337 H GLN 41 H GLN 41 14.367 12.437 -8.994 338 HA GLN 41 HA GLN 41 15.492 10.218 -10.434 339 HB2 GLN 41 1HB GLN 41 14.275 10.477 -7.686 340 HB3 GLN 41 2HB GLN 41 14.883 8.954 -8.322 341 HG2 GLN 41 1HG GLN 41 16.607 11.401 -8.206 342 HG3 GLN 41 2HG GLN 41 16.417 10.333 -6.817 343 HE21 GLN 41 2HE2 GLN 41 18.884 10.610 -7.694 344 HE22 GLN 41 1HE2 GLN 41 19.417 9.220 -8.571 345 H ILE 42 H ILE 42 12.300 10.912 -9.013 346 HA ILE 42 HA ILE 42 11.145 8.661 -10.455 347 HB ILE 42 HB ILE 42 9.215 8.920 -9.153 348 HG12 ILE 42 1HG1 ILE 42 10.176 11.667 -8.328 349 HG13 ILE 42 2HG1 ILE 42 8.969 11.367 -9.574 350 HG21 ILE 42 1HG2 ILE 42 11.238 8.185 -7.903 351 HG22 ILE 42 2HG2 ILE 42 11.432 9.843 -7.335 352 HG23 ILE 42 3HG2 ILE 42 9.997 8.920 -6.888 353 HD11 ILE 42 3HD1 ILE 42 7.800 10.040 -7.616 354 HD12 ILE 42 1HD1 ILE 42 8.756 11.144 -6.628 355 HD13 ILE 42 2HD1 ILE 42 7.609 11.783 -7.807 356 H ARG 43 H ARG 43 11.818 11.830 -11.124 357 HA ARG 43 HA ARG 43 11.224 13.224 -12.822 358 HB2 ARG 43 1HB ARG 43 11.121 10.994 -14.069 359 HB3 ARG 43 2HB ARG 43 9.380 11.066 -13.833 360 HG2 ARG 43 1HG ARG 43 9.900 11.894 -16.015 361 HG3 ARG 43 2HG ARG 43 9.358 13.243 -15.015 362 HD2 ARG 43 1HD ARG 43 11.207 14.295 -15.690 363 HD3 ARG 43 2HD ARG 43 12.080 13.211 -14.607 364 HE ARG 43 HE ARG 43 11.742 11.911 -17.056 365 HH11 ARG 43 1HH1 ARG 43 13.427 14.653 -15.730 366 HH12 ARG 43 2HH1 ARG 43 14.726 14.573 -16.874 367 HH21 ARG 43 1HH2 ARG 43 13.446 11.794 -18.567 368 HH22 ARG 43 2HH2 ARG 43 14.736 12.947 -18.487 369 H LEU 44 H LEU 44 10.087 14.035 -10.703 370 HA LEU 44 HA LEU 44 7.351 14.702 -11.482 371 HB2 LEU 44 1HB LEU 44 7.333 12.773 -9.866 372 HB3 LEU 44 2HB LEU 44 8.040 13.861 -8.674 373 HG LEU 44 HG LEU 44 6.051 15.247 -8.715 374 HD11 LEU 44 1HD1 LEU 44 5.038 13.301 -10.781 375 HD12 LEU 44 2HD1 LEU 44 5.419 15.004 -11.034 376 HD13 LEU 44 3HD1 LEU 44 4.069 14.547 -9.996 377 HD21 LEU 44 3HD2 LEU 44 5.259 12.350 -8.456 378 HD22 LEU 44 1HD2 LEU 44 4.526 13.738 -7.652 379 HD23 LEU 44 2HD2 LEU 44 6.167 13.245 -7.236 380 H GLN 45 H GLN 45 6.479 16.517 -10.119 381 HA GLN 45 HA GLN 45 8.191 18.714 -10.200 382 HB2 GLN 45 1HB GLN 45 5.463 18.194 -9.455 383 HB3 GLN 45 2HB GLN 45 6.195 19.293 -8.294 384 HG2 GLN 45 1HG GLN 45 6.332 19.731 -11.261 385 HG3 GLN 45 2HG GLN 45 5.025 20.352 -10.255 386 HE21 GLN 45 2HE2 GLN 45 5.921 21.495 -8.207 387 HE22 GLN 45 1HE2 GLN 45 7.174 22.646 -8.508 388 H GLU 46 H GLU 46 9.192 19.949 -8.577 389 HA GLU 46 HA GLU 46 10.453 18.429 -6.538 390 HB2 GLU 46 1HB GLU 46 11.435 20.604 -5.848 391 HB3 GLU 46 2HB GLU 46 11.633 20.265 -7.561 392 HG2 GLU 46 1HG GLU 46 9.346 21.656 -7.646 393 HG3 GLU 46 2HG GLU 46 10.076 22.371 -6.210 394 H SER 47 H SER 47 7.916 20.901 -6.510 395 HA SER 47 HA SER 47 7.623 20.785 -3.646 396 HB2 SER 47 1HB SER 47 7.126 22.900 -4.557 397 HB3 SER 47 2HB SER 47 6.147 22.210 -5.852 398 HG SER 47 HG SER 47 4.480 22.161 -4.562 399 H ARG 48 H ARG 48 6.327 19.128 -6.365 400 HA ARG 48 HA ARG 48 3.919 18.238 -5.066 401 HB2 ARG 48 1HB ARG 48 4.074 18.489 -7.522 402 HB3 ARG 48 2HB ARG 48 5.265 17.196 -7.565 403 HG2 ARG 48 1HG ARG 48 3.631 15.721 -7.758 404 HG3 ARG 48 2HG ARG 48 3.016 16.207 -6.177 405 HD2 ARG 48 1HD ARG 48 2.359 17.966 -8.464 406 HD3 ARG 48 2HD ARG 48 1.578 16.386 -8.429 407 HE ARG 48 HE ARG 48 1.383 17.721 -5.919 408 HH11 ARG 48 1HH1 ARG 48 0.030 17.579 -9.124 409 HH12 ARG 48 2HH1 ARG 48 -1.520 18.182 -8.637 410 HH21 ARG 48 1HH2 ARG 48 -0.652 18.515 -5.266 411 HH22 ARG 48 2HH2 ARG 48 -1.907 18.715 -6.443 412 H ILE 49 H ILE 49 7.050 16.781 -5.893 413 HA ILE 49 HA ILE 49 6.607 14.198 -5.015 414 HB ILE 49 HB ILE 49 8.750 15.434 -6.044 415 HG12 ILE 49 1HG1 ILE 49 8.884 12.922 -4.362 416 HG13 ILE 49 2HG1 ILE 49 8.282 13.003 -6.014 417 HG21 ILE 49 1HG2 ILE 49 9.121 16.475 -3.733 418 HG22 ILE 49 2HG2 ILE 49 9.683 14.876 -3.249 419 HG23 ILE 49 3HG2 ILE 49 10.510 15.748 -4.539 420 HD11 ILE 49 3HD1 ILE 49 10.847 12.420 -5.261 421 HD12 ILE 49 1HD1 ILE 49 10.333 12.931 -6.868 422 HD13 ILE 49 2HD1 ILE 49 10.950 14.120 -5.720 423 H GLN 50 H GLN 50 6.918 17.091 -3.170 424 HA GLN 50 HA GLN 50 7.802 16.069 -0.719 425 HB2 GLN 50 1HB GLN 50 6.896 18.541 -1.699 426 HB3 GLN 50 2HB GLN 50 5.843 18.155 -0.345 427 HG2 GLN 50 1HG GLN 50 7.760 17.894 1.110 428 HG3 GLN 50 2HG GLN 50 8.850 18.193 -0.242 429 HE21 GLN 50 2HE2 GLN 50 8.855 19.670 2.133 430 HE22 GLN 50 1HE2 GLN 50 8.386 21.292 1.768 431 H VAL 51 H VAL 51 4.674 15.995 -2.259 432 HA VAL 51 HA VAL 51 3.189 15.266 0.068 433 HB VAL 51 HB VAL 51 1.336 14.936 -1.348 434 HG11 VAL 51 1HG1 VAL 51 2.082 17.263 -1.223 435 HG12 VAL 51 2HG1 VAL 51 3.069 17.025 -2.666 436 HG13 VAL 51 3HG1 VAL 51 1.312 16.916 -2.771 437 HG21 VAL 51 3HG2 VAL 51 1.833 14.938 -3.933 438 HG22 VAL 51 1HG2 VAL 51 3.394 14.308 -3.407 439 HG23 VAL 51 2HG2 VAL 51 1.911 13.447 -2.995 440 H TRP 52 H TRP 52 4.875 13.508 -2.457 441 HA TRP 52 HA TRP 52 3.867 10.945 -1.559 442 HB2 TRP 52 1HB TRP 52 6.033 11.546 -3.585 443 HB3 TRP 52 2HB TRP 52 5.225 10.000 -3.343 444 HD1 TRP 52 HD1 TRP 52 5.071 12.979 -5.471 445 HE1 TRP 52 HE1 TRP 52 2.849 13.075 -6.766 446 HE3 TRP 52 HE3 TRP 52 2.460 9.438 -2.867 447 HZ2 TRP 52 HZ2 TRP 52 0.324 11.816 -6.694 448 HZ3 TRP 52 HZ3 TRP 52 0.147 8.944 -3.544 449 HH2 TRP 52 HH2 TRP 52 -0.898 10.110 -5.417 450 H PHE 53 H PHE 53 6.456 13.029 -0.811 451 HA PHE 53 HA PHE 53 8.493 11.265 -0.112 452 HB2 PHE 53 1HB PHE 53 8.930 13.624 -0.164 453 HB3 PHE 53 2HB PHE 53 7.713 13.933 1.070 454 HD1 PHE 53 HD2 PHE 53 10.666 11.671 0.732 455 HD2 PHE 53 HD1 PHE 53 8.593 14.547 3.086 456 HE1 PHE 53 HE2 PHE 53 12.393 11.483 2.474 457 HE2 PHE 53 HE1 PHE 53 10.317 14.365 4.833 458 HZ PHE 53 HZ PHE 53 12.220 12.830 4.528 459 H LYS 54 H LYS 54 5.443 11.788 1.349 460 HA LYS 54 HA LYS 54 6.231 10.688 3.921 461 HB2 LYS 54 1HB LYS 54 4.301 12.475 3.205 462 HB3 LYS 54 2HB LYS 54 3.361 10.993 3.327 463 HG2 LYS 54 1HG LYS 54 4.869 10.916 5.609 464 HG3 LYS 54 2HG LYS 54 4.547 12.641 5.419 465 HD2 LYS 54 1HD LYS 54 2.196 12.287 5.409 466 HD3 LYS 54 2HD LYS 54 2.396 10.539 5.262 467 HE2 LYS 54 1HE LYS 54 1.912 10.778 7.507 468 HE3 LYS 54 2HE LYS 54 3.675 10.764 7.515 469 HZ1 LYS 54 3HZ LYS 54 3.731 12.822 8.315 470 HZ2 LYS 54 1HZ LYS 54 2.071 12.682 8.610 471 HZ3 LYS 54 2HZ LYS 54 2.618 13.397 7.178 472 H ASN 55 H ASN 55 5.113 9.568 0.910 473 HA ASN 55 HA ASN 55 3.474 7.470 1.319 474 HB2 ASN 55 1HB ASN 55 4.263 7.880 -0.890 475 HB3 ASN 55 2HB ASN 55 5.937 7.603 -0.419 476 HD21 ASN 55 2HD2 ASN 55 6.510 5.912 -1.619 477 HD22 ASN 55 1HD2 ASN 55 5.702 4.385 -1.637 478 H ARG 56 H ARG 56 6.992 6.904 1.282 479 HA ARG 56 HA ARG 56 6.635 4.548 2.934 480 HB2 ARG 56 1HB ARG 56 8.277 4.931 0.901 481 HB3 ARG 56 2HB ARG 56 9.326 5.583 2.153 482 HG2 ARG 56 1HG ARG 56 8.270 3.107 3.067 483 HG3 ARG 56 2HG ARG 56 8.909 2.885 1.437 484 HD2 ARG 56 1HD ARG 56 11.056 3.449 2.058 485 HD3 ARG 56 2HD ARG 56 10.517 4.394 3.446 486 HE ARG 56 HE ARG 56 9.835 1.736 3.919 487 HH11 ARG 56 1HH1 ARG 56 12.701 3.675 3.530 488 HH12 ARG 56 2HH1 ARG 56 13.677 2.670 4.549 489 HH21 ARG 56 1HH2 ARG 56 11.110 0.405 5.263 490 HH22 ARG 56 2HH2 ARG 56 12.772 0.810 5.534 491 H ARG 57 H ARG 57 8.142 7.735 3.164 492 HA ARG 57 HA ARG 57 9.515 7.524 5.532 493 HB2 ARG 57 1HB ARG 57 9.595 9.544 4.210 494 HB3 ARG 57 2HB ARG 57 7.887 9.849 4.497 495 HG2 ARG 57 1HG ARG 57 9.526 9.608 6.920 496 HG3 ARG 57 2HG ARG 57 9.904 10.988 5.887 497 HD2 ARG 57 1HD ARG 57 7.901 11.992 6.264 498 HD3 ARG 57 2HD ARG 57 7.042 10.460 6.420 499 HE ARG 57 HE ARG 57 7.431 10.506 8.679 500 HH11 ARG 57 1HH1 ARG 57 9.464 12.856 7.108 501 HH12 ARG 57 2HH1 ARG 57 10.002 13.574 8.591 502 HH21 ARG 57 1HH2 ARG 57 8.133 11.442 10.637 503 HH22 ARG 57 2HH2 ARG 57 9.245 12.768 10.597 504 H ALA 58 H ALA 58 6.065 7.689 5.034 505 HA ALA 58 HA ALA 58 5.518 8.036 7.867 506 HB1 ALA 58 1HB ALA 58 4.109 9.171 6.216 507 HB2 ALA 58 2HB ALA 58 3.613 7.607 5.569 508 HB3 ALA 58 3HB ALA 58 3.175 8.059 7.217 509 H LYS 59 H LYS 59 5.502 5.509 5.442 510 HA LYS 59 HA LYS 59 4.019 3.559 6.768 511 HB2 LYS 59 1HB LYS 59 5.866 3.670 4.535 512 HB3 LYS 59 2HB LYS 59 6.061 2.180 5.449 513 HG2 LYS 59 1HG LYS 59 4.468 1.963 3.589 514 HG3 LYS 59 2HG LYS 59 3.731 1.642 5.161 515 HD2 LYS 59 1HD LYS 59 2.279 3.322 4.919 516 HD3 LYS 59 2HD LYS 59 3.549 4.443 4.422 517 HE2 LYS 59 1HE LYS 59 3.462 3.391 2.151 518 HE3 LYS 59 2HE LYS 59 2.050 2.484 2.690 519 HZ1 LYS 59 3HZ LYS 59 2.299 5.432 2.458 520 HZ2 LYS 59 1HZ LYS 59 0.984 4.653 3.183 521 HZ3 LYS 59 2HZ LYS 59 1.307 4.414 1.541 522 H TYR 60 H TYR 60 7.144 4.813 7.452 523 HA TYR 60 HA TYR 60 8.464 2.746 8.687 524 HB2 TYR 60 1HB TYR 60 9.814 4.341 9.671 525 HB3 TYR 60 2HB TYR 60 9.085 5.282 8.374 526 HD1 TYR 60 HD1 TYR 60 6.789 6.458 9.075 527 HD2 TYR 60 HD2 TYR 60 9.860 5.282 11.774 528 HE1 TYR 60 HE1 TYR 60 5.960 8.088 10.719 529 HE2 TYR 60 HE2 TYR 60 9.039 6.908 13.426 530 HH TYR 60 HH TYR 60 7.218 9.396 12.808 531 H ARG 61 H ARG 61 5.674 4.505 9.802 532 HA ARG 61 HA ARG 61 5.826 3.549 12.509 533 HB2 ARG 61 1HB ARG 61 4.636 5.682 11.526 534 HB3 ARG 61 2HB ARG 61 3.292 4.573 11.294 535 HG2 ARG 61 1HG ARG 61 3.118 4.149 13.612 536 HG3 ARG 61 2HG ARG 61 4.665 4.933 13.941 537 HD2 ARG 61 1HD ARG 61 2.166 6.287 12.930 538 HD3 ARG 61 2HD ARG 61 2.790 6.363 14.578 539 HE ARG 61 HE ARG 61 4.839 7.245 12.974 540 HH11 ARG 61 1HH1 ARG 61 1.545 8.187 13.592 541 HH12 ARG 61 2HH1 ARG 61 1.827 9.866 13.268 542 HH21 ARG 61 1HH2 ARG 61 5.223 9.452 12.544 543 HH22 ARG 61 2HH2 ARG 61 3.919 10.584 12.671 544 H LEU 62 H LEU 62 4.036 2.681 9.590 545 HA LEU 62 HA LEU 62 2.354 0.752 10.774 546 HB2 LEU 62 1HB LEU 62 2.354 1.885 8.400 547 HB3 LEU 62 2HB LEU 62 3.293 0.460 7.960 548 HG LEU 62 HG LEU 62 0.931 0.179 7.421 549 HD11 LEU 62 1HD1 LEU 62 1.338 -1.635 9.741 550 HD12 LEU 62 2HD1 LEU 62 2.509 -1.673 8.423 551 HD13 LEU 62 3HD1 LEU 62 0.806 -1.998 8.099 552 HD21 LEU 62 3HD2 LEU 62 -0.789 0.199 9.041 553 HD22 LEU 62 1HD2 LEU 62 0.144 1.672 9.304 554 HD23 LEU 62 2HD2 LEU 62 0.364 0.288 10.374 555 H GLN 63 H GLN 63 5.432 0.410 9.020 556 HA GLN 63 HA GLN 63 5.661 -2.363 9.215 557 HB2 GLN 63 1HB GLN 63 8.068 -2.019 8.833 558 HB3 GLN 63 2HB GLN 63 7.087 -1.045 7.746 559 HG2 GLN 63 1HG GLN 63 7.544 0.934 8.961 560 HG3 GLN 63 2HG GLN 63 8.264 0.029 10.292 561 HE21 GLN 63 2HE2 GLN 63 10.377 0.175 10.352 562 HE22 GLN 63 1HE2 GLN 63 11.435 0.318 8.994 563 H GLU 64 H GLU 64 6.239 0.135 11.560 564 HA GLU 64 HA GLU 64 7.859 -1.354 13.341 565 HB2 GLU 64 1HB GLU 64 7.300 1.215 13.235 566 HB3 GLU 64 2HB GLU 64 5.991 0.767 14.319 567 HG2 GLU 64 1HG GLU 64 7.764 -0.333 15.763 568 HG3 GLU 64 2HG GLU 64 8.945 0.519 14.769 569 H LYS 65 H LYS 65 4.387 -0.549 13.499 570 HA LYS 65 HA LYS 65 3.914 -2.400 15.635 571 HB2 LYS 65 1HB LYS 65 1.550 -1.807 15.336 572 HB3 LYS 65 2HB LYS 65 2.568 -0.374 15.418 573 HG2 LYS 65 1HG LYS 65 1.356 0.253 13.635 574 HG3 LYS 65 2HG LYS 65 2.512 -0.751 12.756 575 HD2 LYS 65 1HD LYS 65 0.547 -1.607 11.952 576 HD3 LYS 65 2HD LYS 65 0.789 -2.657 13.350 577 HE2 LYS 65 1HE LYS 65 -0.583 -0.806 14.593 578 HE3 LYS 65 2HE LYS 65 -1.139 -0.410 12.968 579 HZ1 LYS 65 3HZ LYS 65 -1.825 -2.749 12.724 580 HZ2 LYS 65 1HZ LYS 65 -2.650 -1.953 13.969 581 HZ3 LYS 65 2HZ LYS 65 -1.399 -3.031 14.337 582 H GLN 66 H GLN 66 4.319 -2.760 12.330 583 HA GLN 66 HA GLN 66 2.503 -5.015 12.057 584 HB2 GLN 66 1HB GLN 66 2.542 -3.790 10.084 585 HB3 GLN 66 2HB GLN 66 4.270 -3.482 10.191 586 HG2 GLN 66 1HG GLN 66 4.824 -5.423 9.180 587 HG3 GLN 66 2HG GLN 66 3.454 -6.298 9.862 588 HE21 GLN 66 2HE2 GLN 66 2.724 -7.202 8.000 589 HE22 GLN 66 1HE2 GLN 66 2.077 -6.295 6.679 590 H LYS 67 H LYS 67 5.987 -4.521 11.456 591 HA LYS 67 HA LYS 67 6.565 -7.306 11.520 592 HB2 LYS 67 1HB LYS 67 8.264 -4.824 11.552 593 HB3 LYS 67 2HB LYS 67 8.980 -6.422 11.716 594 HG2 LYS 67 1HG LYS 67 7.218 -5.631 9.412 595 HG3 LYS 67 2HG LYS 67 8.975 -5.470 9.399 596 HD2 LYS 67 1HD LYS 67 9.282 -7.813 9.585 597 HD3 LYS 67 2HD LYS 67 7.581 -8.074 9.979 598 HE2 LYS 67 1HE LYS 67 8.113 -8.711 7.664 599 HE3 LYS 67 2HE LYS 67 6.929 -7.407 7.744 600 HZ1 LYS 67 3HZ LYS 67 9.648 -6.483 7.599 601 HZ2 LYS 67 1HZ LYS 67 8.297 -6.013 6.697 602 HZ3 LYS 67 2HZ LYS 67 9.179 -7.384 6.246 603 HA PRO 68 HA PRO 68 7.146 -8.111 15.795 604 HB2 PRO 68 1HB PRO 68 9.263 -9.810 15.759 605 HB3 PRO 68 2HB PRO 68 7.649 -10.276 15.210 606 HG2 PRO 68 1HG PRO 68 10.026 -9.428 13.600 607 HG3 PRO 68 2HG PRO 68 8.880 -10.746 13.294 608 HD2 PRO 68 1HD PRO 68 8.730 -8.360 12.023 609 HD3 PRO 68 2HD PRO 68 7.293 -9.328 12.408 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.978 -1.617 -0.824 2 HA2 GLY 1 1HA GLY 1 3.345 -1.157 -1.787 3 HA3 GLY 1 2HA GLY 1 1.974 -0.928 -2.861 4 HA PRO 2 HA PRO 2 4.477 2.997 -2.706 5 HB2 PRO 2 1HB PRO 2 4.685 3.269 -5.400 6 HB3 PRO 2 2HB PRO 2 5.833 2.331 -4.437 7 HG2 PRO 2 1HG PRO 2 3.509 1.381 -6.067 8 HG3 PRO 2 2HG PRO 2 5.142 0.701 -5.944 9 HD2 PRO 2 1HD PRO 2 3.028 -0.334 -4.605 10 HD3 PRO 2 2HD PRO 2 4.681 -0.374 -3.958 11 H ARG 3 H ARG 3 2.415 3.820 -1.890 12 HA ARG 3 HA ARG 3 1.238 5.681 -3.680 13 HB2 ARG 3 1HB ARG 3 -0.038 3.843 -4.518 14 HB3 ARG 3 2HB ARG 3 -0.389 3.266 -2.895 15 HG2 ARG 3 1HG ARG 3 -1.729 5.293 -2.491 16 HG3 ARG 3 2HG ARG 3 -1.422 5.797 -4.155 17 HD2 ARG 3 1HD ARG 3 -3.625 4.653 -3.768 18 HD3 ARG 3 2HD ARG 3 -2.618 3.942 -5.028 19 HE ARG 3 HE ARG 3 -2.274 2.726 -2.446 20 HH11 ARG 3 1HH1 ARG 3 -4.143 2.735 -5.383 21 HH12 ARG 3 2HH1 ARG 3 -4.662 1.091 -5.211 22 HH21 ARG 3 1HH2 ARG 3 -2.951 0.561 -2.209 23 HH22 ARG 3 2HH2 ARG 3 -3.985 -0.144 -3.405 24 H LYS 4 H LYS 4 -0.014 7.232 -2.617 25 HA LYS 4 HA LYS 4 -0.198 6.924 0.307 26 HB2 LYS 4 1HB LYS 4 1.662 8.445 -0.433 27 HB3 LYS 4 2HB LYS 4 0.443 9.498 -1.140 28 HG2 LYS 4 1HG LYS 4 1.190 10.272 1.062 29 HG3 LYS 4 2HG LYS 4 -0.534 9.891 1.035 30 HD2 LYS 4 1HD LYS 4 -0.114 7.762 2.108 31 HD3 LYS 4 2HD LYS 4 1.628 8.043 2.047 32 HE2 LYS 4 1HE LYS 4 1.336 10.010 3.498 33 HE3 LYS 4 2HE LYS 4 -0.392 9.674 3.585 34 HZ1 LYS 4 3HZ LYS 4 0.224 7.463 4.529 35 HZ2 LYS 4 1HZ LYS 4 0.605 8.780 5.520 36 HZ3 LYS 4 2HZ LYS 4 1.822 8.006 4.636 37 H ASN 5 H ASN 5 -1.498 8.448 -2.597 38 HA ASN 5 HA ASN 5 -4.146 8.425 -1.395 39 HB2 ASN 5 1HB ASN 5 -3.432 10.972 -2.756 40 HB3 ASN 5 2HB ASN 5 -4.558 10.680 -1.434 41 HD21 ASN 5 2HD2 ASN 5 -3.867 10.839 0.642 42 HD22 ASN 5 1HD2 ASN 5 -2.282 11.362 1.088 43 H ARG 6 H ARG 6 -3.461 6.702 -3.274 44 HA ARG 6 HA ARG 6 -4.089 5.867 -5.294 45 HB2 ARG 6 1HB ARG 6 -5.739 8.306 -5.846 46 HB3 ARG 6 2HB ARG 6 -6.060 6.629 -6.267 47 HG2 ARG 6 1HG ARG 6 -6.268 7.884 -3.540 48 HG3 ARG 6 2HG ARG 6 -7.592 7.317 -4.560 49 HD2 ARG 6 1HD ARG 6 -5.435 5.628 -3.297 50 HD3 ARG 6 2HD ARG 6 -7.131 5.697 -2.820 51 HE ARG 6 HE ARG 6 -6.007 4.215 -5.003 52 HH11 ARG 6 1HH1 ARG 6 -8.880 5.763 -3.791 53 HH12 ARG 6 2HH1 ARG 6 -9.961 4.782 -4.725 54 HH21 ARG 6 1HH2 ARG 6 -7.419 2.917 -6.238 55 HH22 ARG 6 2HH2 ARG 6 -9.129 3.163 -6.115 56 H ARG 7 H ARG 7 -2.032 8.182 -4.894 57 HA ARG 7 HA ARG 7 -1.737 8.842 -7.750 58 HB2 ARG 7 1HB ARG 7 -1.047 10.340 -5.251 59 HB3 ARG 7 2HB ARG 7 -0.124 10.635 -6.718 60 HG2 ARG 7 1HG ARG 7 -3.120 10.809 -6.640 61 HG3 ARG 7 2HG ARG 7 -2.074 12.180 -6.266 62 HD2 ARG 7 1HD ARG 7 -1.016 11.931 -8.485 63 HD3 ARG 7 2HD ARG 7 -2.146 10.627 -8.850 64 HE ARG 7 HE ARG 7 -2.668 13.430 -8.960 65 HH11 ARG 7 1HH1 ARG 7 -4.118 10.325 -8.348 66 HH12 ARG 7 2HH1 ARG 7 -5.713 10.836 -8.792 67 HH21 ARG 7 1HH2 ARG 7 -4.763 14.115 -9.547 68 HH22 ARG 7 2HH2 ARG 7 -6.078 12.992 -9.475 69 H GLU 8 H GLU 8 0.082 8.263 -8.806 70 HA GLU 8 HA GLU 8 2.541 7.655 -7.511 71 HB2 GLU 8 1HB GLU 8 2.518 5.210 -8.309 72 HB3 GLU 8 2HB GLU 8 1.650 5.602 -6.831 73 HG2 GLU 8 1HG GLU 8 0.210 5.589 -9.444 74 HG3 GLU 8 2HG GLU 8 0.555 4.073 -8.614 75 H ARG 9 H ARG 9 4.230 7.119 -9.004 76 HA ARG 9 HA ARG 9 4.130 8.489 -11.414 77 HB2 ARG 9 1HB ARG 9 6.141 7.520 -10.009 78 HB3 ARG 9 2HB ARG 9 5.987 6.166 -11.121 79 HG2 ARG 9 1HG ARG 9 6.074 8.870 -12.314 80 HG3 ARG 9 2HG ARG 9 7.564 8.259 -11.590 81 HD2 ARG 9 1HD ARG 9 7.680 6.455 -13.060 82 HD3 ARG 9 2HD ARG 9 5.974 6.573 -13.488 83 HE ARG 9 HE ARG 9 8.139 7.914 -14.747 84 HH11 ARG 9 1HH1 ARG 9 4.795 8.280 -13.849 85 HH12 ARG 9 2HH1 ARG 9 4.444 9.411 -15.113 86 HH21 ARG 9 1HH2 ARG 9 7.689 9.402 -16.416 87 HH22 ARG 9 2HH2 ARG 9 6.090 10.047 -16.574 88 H THR 10 H THR 10 3.139 5.262 -10.656 89 HA THR 10 HA THR 10 1.739 4.924 -13.072 90 HB THR 10 HB THR 10 4.116 4.608 -13.894 91 HG1 THR 10 HG1 THR 10 3.004 3.568 -15.354 92 HG21 THR 10 3HG2 THR 10 4.077 1.843 -12.838 93 HG22 THR 10 1HG2 THR 10 4.503 3.117 -11.696 94 HG23 THR 10 2HG2 THR 10 5.441 2.908 -13.174 95 H THR 11 H THR 11 1.551 2.238 -13.340 96 HA THR 11 HA THR 11 -0.192 1.422 -11.401 97 HB THR 11 HB THR 11 0.331 -0.940 -12.098 98 HG1 THR 11 HG1 THR 11 1.903 -1.260 -13.643 99 HG21 THR 11 3HG2 THR 11 -1.338 -0.145 -13.427 100 HG22 THR 11 1HG2 THR 11 -0.087 -0.300 -14.659 101 HG23 THR 11 2HG2 THR 11 -0.415 1.271 -13.928 102 H TYR 12 H TYR 12 3.178 0.259 -11.612 103 HA TYR 12 HA TYR 12 3.484 0.447 -8.747 104 HB2 TYR 12 1HB TYR 12 3.259 -2.200 -10.154 105 HB3 TYR 12 2HB TYR 12 4.207 -2.037 -8.680 106 HD1 TYR 12 HD2 TYR 12 2.806 -0.566 -6.816 107 HD2 TYR 12 HD1 TYR 12 1.156 -3.068 -9.836 108 HE1 TYR 12 HE2 TYR 12 0.766 -0.837 -5.469 109 HE2 TYR 12 HE1 TYR 12 -0.889 -3.344 -8.498 110 HH TYR 12 HH TYR 12 -1.099 -2.608 -5.287 111 H SER 13 H SER 13 5.353 1.521 -8.734 112 HA SER 13 HA SER 13 7.651 0.301 -10.085 113 HB2 SER 13 1HB SER 13 6.429 2.614 -11.034 114 HB3 SER 13 2HB SER 13 7.806 3.210 -10.108 115 HG SER 13 HG SER 13 8.336 2.747 -12.300 116 H ARG 14 H ARG 14 9.734 1.086 -9.239 117 HA ARG 14 HA ARG 14 9.627 1.265 -6.364 118 HB2 ARG 14 1HB ARG 14 12.085 1.103 -6.493 119 HB3 ARG 14 2HB ARG 14 11.286 -0.175 -7.401 120 HG2 ARG 14 1HG ARG 14 11.907 2.212 -8.977 121 HG3 ARG 14 2HG ARG 14 13.317 1.370 -8.331 122 HD2 ARG 14 1HD ARG 14 11.915 -0.731 -9.234 123 HD3 ARG 14 2HD ARG 14 11.343 0.505 -10.355 124 HE ARG 14 HE ARG 14 14.201 0.439 -10.079 125 HH11 ARG 14 1HH1 ARG 14 11.457 -0.920 -11.735 126 HH12 ARG 14 2HH1 ARG 14 12.373 -1.417 -13.119 127 HH21 ARG 14 1HH2 ARG 14 15.418 -0.211 -11.896 128 HH22 ARG 14 2HH2 ARG 14 14.626 -1.014 -13.209 129 H GLN 15 H GLN 15 9.915 3.447 -8.984 130 HA GLN 15 HA GLN 15 11.469 5.498 -7.998 131 HB2 GLN 15 1HB GLN 15 8.907 5.738 -9.585 132 HB3 GLN 15 2HB GLN 15 10.106 7.011 -9.395 133 HG2 GLN 15 1HG GLN 15 11.611 5.997 -10.788 134 HG3 GLN 15 2HG GLN 15 10.972 4.383 -10.483 135 HE21 GLN 15 2HE2 GLN 15 11.021 7.003 -12.585 136 HE22 GLN 15 1HE2 GLN 15 9.747 6.507 -13.641 137 H GLN 16 H GLN 16 7.974 5.027 -7.504 138 HA GLN 16 HA GLN 16 7.485 7.252 -5.922 139 HB2 GLN 16 1HB GLN 16 6.201 4.520 -5.771 140 HB3 GLN 16 2HB GLN 16 5.555 5.976 -5.028 141 HG2 GLN 16 1HG GLN 16 4.480 6.436 -6.898 142 HG3 GLN 16 2HG GLN 16 6.022 6.578 -7.739 143 HE21 GLN 16 2HE2 GLN 16 6.350 5.253 -9.373 144 HE22 GLN 16 1HE2 GLN 16 5.510 3.771 -9.664 145 H LEU 17 H LEU 17 8.905 4.166 -5.081 146 HA LEU 17 HA LEU 17 8.893 4.791 -2.241 147 HB2 LEU 17 1HB LEU 17 10.089 2.445 -3.707 148 HB3 LEU 17 2HB LEU 17 9.924 2.602 -1.960 149 HG LEU 17 HG LEU 17 7.366 2.881 -3.277 150 HD11 LEU 17 1HD1 LEU 17 9.048 0.492 -3.946 151 HD12 LEU 17 2HD1 LEU 17 8.049 1.481 -5.011 152 HD13 LEU 17 3HD1 LEU 17 7.290 0.386 -3.855 153 HD21 LEU 17 3HD2 LEU 17 7.623 2.419 -0.917 154 HD22 LEU 17 1HD2 LEU 17 8.490 0.925 -1.275 155 HD23 LEU 17 2HD2 LEU 17 6.784 1.078 -1.699 156 H GLU 18 H GLU 18 10.845 5.404 -4.909 157 HA GLU 18 HA GLU 18 13.408 5.251 -3.664 158 HB2 GLU 18 1HB GLU 18 12.398 6.588 -6.167 159 HB3 GLU 18 2HB GLU 18 14.066 6.749 -5.637 160 HG2 GLU 18 1HG GLU 18 13.005 4.002 -5.800 161 HG3 GLU 18 2HG GLU 18 13.226 4.855 -7.327 162 H ILE 19 H ILE 19 11.077 7.851 -4.230 163 HA ILE 19 HA ILE 19 12.461 10.081 -3.523 164 HB ILE 19 HB ILE 19 9.681 9.485 -2.512 165 HG12 ILE 19 1HG1 ILE 19 9.592 11.034 -4.869 166 HG13 ILE 19 2HG1 ILE 19 10.682 9.693 -5.204 167 HG21 ILE 19 1HG2 ILE 19 10.536 12.177 -3.404 168 HG22 ILE 19 2HG2 ILE 19 9.422 11.708 -2.121 169 HG23 ILE 19 3HG2 ILE 19 11.162 11.596 -1.861 170 HD11 ILE 19 3HD1 ILE 19 8.040 9.163 -3.933 171 HD12 ILE 19 1HD1 ILE 19 8.142 9.458 -5.668 172 HD13 ILE 19 2HD1 ILE 19 9.031 8.116 -4.948 173 H LEU 20 H LEU 20 11.189 7.616 -1.346 174 HA LEU 20 HA LEU 20 12.227 9.056 0.973 175 HB2 LEU 20 1HB LEU 20 11.031 6.382 1.309 176 HB3 LEU 20 2HB LEU 20 10.802 7.854 2.251 177 HG LEU 20 HG LEU 20 8.707 7.359 1.299 178 HD11 LEU 20 1HD1 LEU 20 9.706 9.313 -0.722 179 HD12 LEU 20 2HD1 LEU 20 9.740 9.733 0.990 180 HD13 LEU 20 3HD1 LEU 20 8.210 9.324 0.212 181 HD21 LEU 20 3HD2 LEU 20 8.420 6.214 -0.586 182 HD22 LEU 20 1HD2 LEU 20 10.177 6.085 -0.686 183 HD23 LEU 20 2HD2 LEU 20 9.340 7.394 -1.522 184 H GLU 21 H GLU 21 12.361 5.683 -0.194 185 HA GLU 21 HA GLU 21 14.368 4.702 1.348 186 HB2 GLU 21 1HB GLU 21 13.033 3.782 -0.829 187 HB3 GLU 21 2HB GLU 21 14.641 3.999 -1.506 188 HG2 GLU 21 1HG GLU 21 15.391 2.694 0.631 189 HG3 GLU 21 2HG GLU 21 13.717 2.142 0.628 190 H THR 22 H THR 22 14.664 6.998 -1.248 191 HA THR 22 HA THR 22 17.575 6.826 -1.246 192 HB THR 22 HB THR 22 15.820 8.702 -2.838 193 HG1 THR 22 HG1 THR 22 15.704 6.226 -3.118 194 HG21 THR 22 3HG2 THR 22 18.037 9.532 -2.810 195 HG22 THR 22 1HG2 THR 22 17.865 8.678 -4.343 196 HG23 THR 22 2HG2 THR 22 18.723 7.919 -3.002 197 H LEU 23 H LEU 23 15.072 9.303 -0.690 198 HA LEU 23 HA LEU 23 16.953 11.199 0.342 199 HB2 LEU 23 1HB LEU 23 14.762 11.720 -0.807 200 HB3 LEU 23 2HB LEU 23 13.965 11.239 0.689 201 HG LEU 23 HG LEU 23 16.010 13.442 0.597 202 HD11 LEU 23 1HD1 LEU 23 13.165 13.461 -0.216 203 HD12 LEU 23 2HD1 LEU 23 14.509 14.466 -0.757 204 HD13 LEU 23 3HD1 LEU 23 13.725 14.798 0.788 205 HD21 LEU 23 3HD2 LEU 23 14.376 12.176 2.629 206 HD22 LEU 23 1HD2 LEU 23 14.117 13.919 2.558 207 HD23 LEU 23 2HD2 LEU 23 15.742 13.278 2.802 208 H PHE 24 H PHE 24 14.144 9.650 1.908 209 HA PHE 24 HA PHE 24 14.630 10.299 4.503 210 HB2 PHE 24 1HB PHE 24 12.641 9.093 3.942 211 HB3 PHE 24 2HB PHE 24 13.568 7.707 3.376 212 HD1 PHE 24 HD1 PHE 24 12.452 9.567 6.341 213 HD2 PHE 24 HD2 PHE 24 14.407 6.074 4.895 214 HE1 PHE 24 HE1 PHE 24 12.299 8.559 8.580 215 HE2 PHE 24 HE2 PHE 24 14.255 5.059 7.131 216 HZ PHE 24 HZ PHE 24 13.200 6.301 8.977 217 H ASN 25 H ASN 25 16.235 7.808 2.614 218 HA ASN 25 HA ASN 25 17.695 6.749 4.854 219 HB2 ASN 25 1HB ASN 25 17.061 5.423 2.805 220 HB3 ASN 25 2HB ASN 25 18.271 6.342 1.915 221 HD21 ASN 25 2HD2 ASN 25 18.331 3.577 2.159 222 HD22 ASN 25 1HD2 ASN 25 19.715 3.131 3.092 223 H GLU 26 H GLU 26 18.411 8.880 2.116 224 HA GLU 26 HA GLU 26 21.138 9.193 2.456 225 HB2 GLU 26 1HB GLU 26 19.946 10.115 0.543 226 HB3 GLU 26 2HB GLU 26 19.104 11.253 1.586 227 HG2 GLU 26 1HG GLU 26 20.903 12.341 0.381 228 HG3 GLU 26 2HG GLU 26 21.212 12.348 2.116 229 H THR 27 H THR 27 18.507 11.024 3.986 230 HA THR 27 HA THR 27 19.870 11.379 6.416 231 HB THR 27 HB THR 27 19.803 14.083 5.832 232 HG1 THR 27 HG1 THR 27 20.090 14.231 3.746 233 HG21 THR 27 3HG2 THR 27 21.530 12.386 6.975 234 HG22 THR 27 1HG2 THR 27 21.973 14.029 6.515 235 HG23 THR 27 2HG2 THR 27 22.385 12.677 5.461 236 H GLN 28 H GLN 28 18.793 13.273 7.713 237 HA GLN 28 HA GLN 28 15.908 13.087 7.189 238 HB2 GLN 28 1HB GLN 28 17.328 13.764 9.770 239 HB3 GLN 28 2HB GLN 28 15.596 13.538 9.566 240 HG2 GLN 28 1HG GLN 28 16.236 11.518 10.443 241 HG3 GLN 28 2HG GLN 28 16.265 11.183 8.713 242 HE21 GLN 28 2HE2 GLN 28 17.713 9.474 9.056 243 HE22 GLN 28 1HE2 GLN 28 19.385 9.758 9.383 244 H TYR 29 H TYR 29 17.344 14.951 5.707 245 HA TYR 29 HA TYR 29 16.608 17.509 6.967 246 HB2 TYR 29 1HB TYR 29 18.567 17.025 4.713 247 HB3 TYR 29 2HB TYR 29 18.223 18.574 5.473 248 HD1 TYR 29 HD1 TYR 29 18.220 17.911 8.319 249 HD2 TYR 29 HD2 TYR 29 20.781 16.537 5.212 250 HE1 TYR 29 HE1 TYR 29 19.993 17.497 9.972 251 HE2 TYR 29 HE2 TYR 29 22.561 16.118 6.857 252 HH TYR 29 HH TYR 29 22.957 17.315 9.482 253 HA PRO 30 HA PRO 30 13.535 16.851 3.579 254 HB2 PRO 30 1HB PRO 30 11.446 17.872 4.981 255 HB3 PRO 30 2HB PRO 30 11.948 16.181 5.099 256 HG2 PRO 30 1HG PRO 30 12.551 18.469 6.934 257 HG3 PRO 30 2HG PRO 30 12.090 16.804 7.335 258 HD2 PRO 30 1HD PRO 30 14.653 17.671 7.436 259 HD3 PRO 30 2HD PRO 30 14.226 16.002 7.010 260 H ASP 31 H ASP 31 14.935 18.589 2.644 261 HA ASP 31 HA ASP 31 13.562 21.188 2.825 262 HB2 ASP 31 1HB ASP 31 16.013 20.914 3.801 263 HB3 ASP 31 2HB ASP 31 16.458 21.093 2.106 264 H VAL 32 H VAL 32 14.243 22.588 0.837 265 HA VAL 32 HA VAL 32 13.148 21.484 -1.445 266 HB VAL 32 HB VAL 32 14.294 23.354 -2.691 267 HG11 VAL 32 1HG1 VAL 32 12.177 23.929 -2.000 268 HG12 VAL 32 2HG1 VAL 32 12.567 23.742 -0.289 269 HG13 VAL 32 3HG1 VAL 32 13.145 25.152 -1.178 270 HG21 VAL 32 3HG2 VAL 32 15.376 25.081 -1.206 271 HG22 VAL 32 1HG2 VAL 32 15.449 23.840 0.046 272 HG23 VAL 32 2HG2 VAL 32 16.316 23.612 -1.474 273 H PHE 33 H PHE 33 16.572 21.773 -0.565 274 HA PHE 33 HA PHE 33 17.712 20.834 -2.914 275 HB2 PHE 33 1HB PHE 33 18.547 21.152 -0.132 276 HB3 PHE 33 2HB PHE 33 19.355 19.813 -0.939 277 HD1 PHE 33 HD1 PHE 33 20.242 20.406 -3.370 278 HD2 PHE 33 HD2 PHE 33 19.509 23.226 -0.267 279 HE1 PHE 33 HE1 PHE 33 21.789 21.988 -4.447 280 HE2 PHE 33 HE2 PHE 33 21.054 24.813 -1.340 281 HZ PHE 33 HZ PHE 33 22.195 24.195 -3.433 282 H ALA 34 H ALA 34 15.953 19.137 -0.482 283 HA ALA 34 HA ALA 34 16.913 16.524 -1.302 284 HB1 ALA 34 1HB ALA 34 14.536 16.752 0.441 285 HB2 ALA 34 2HB ALA 34 15.952 15.710 0.580 286 HB3 ALA 34 3HB ALA 34 16.050 17.400 1.072 287 H ARG 35 H ARG 35 13.648 17.948 -1.045 288 HA ARG 35 HA ARG 35 12.347 16.077 -2.632 289 HB2 ARG 35 1HB ARG 35 10.608 17.840 -2.949 290 HB3 ARG 35 2HB ARG 35 11.082 17.599 -1.272 291 HG2 ARG 35 1HG ARG 35 12.599 19.568 -1.498 292 HG3 ARG 35 2HG ARG 35 11.897 19.849 -3.093 293 HD2 ARG 35 1HD ARG 35 9.650 19.651 -1.644 294 HD3 ARG 35 2HD ARG 35 10.743 20.263 -0.403 295 HE ARG 35 HE ARG 35 10.854 21.739 -2.865 296 HH11 ARG 35 1HH1 ARG 35 9.213 21.380 0.184 297 HH12 ARG 35 2HH1 ARG 35 8.642 23.015 0.218 298 HH21 ARG 35 1HH2 ARG 35 10.110 23.894 -2.832 299 HH22 ARG 35 2HH2 ARG 35 9.152 24.445 -1.499 300 H GLU 36 H GLU 36 13.815 19.173 -3.565 301 HA GLU 36 HA GLU 36 13.090 19.109 -6.273 302 HB2 GLU 36 1HB GLU 36 13.970 21.107 -5.098 303 HB3 GLU 36 2HB GLU 36 15.557 20.354 -5.048 304 HG2 GLU 36 1HG GLU 36 15.817 20.498 -7.379 305 HG3 GLU 36 2HG GLU 36 14.110 20.862 -7.625 306 H ARG 37 H ARG 37 15.543 17.420 -4.515 307 HA ARG 37 HA ARG 37 17.135 16.740 -6.809 308 HB2 ARG 37 1HB ARG 37 18.120 16.869 -4.562 309 HB3 ARG 37 2HB ARG 37 17.092 15.544 -4.033 310 HG2 ARG 37 1HG ARG 37 18.245 14.293 -6.042 311 HG3 ARG 37 2HG ARG 37 19.500 15.504 -5.770 312 HD2 ARG 37 1HD ARG 37 18.418 14.053 -3.413 313 HD3 ARG 37 2HD ARG 37 19.492 13.176 -4.502 314 HE ARG 37 HE ARG 37 20.499 15.743 -3.677 315 HH11 ARG 37 1HH1 ARG 37 20.288 12.354 -2.907 316 HH12 ARG 37 2HH1 ARG 37 21.712 12.356 -1.920 317 HH21 ARG 37 1HH2 ARG 37 22.375 15.758 -2.380 318 HH22 ARG 37 2HH2 ARG 37 22.898 14.293 -1.620 319 H VAL 38 H VAL 38 15.223 14.712 -4.577 320 HA VAL 38 HA VAL 38 15.212 12.405 -6.116 321 HB VAL 38 HB VAL 38 13.016 11.891 -4.910 322 HG11 VAL 38 1HG1 VAL 38 14.172 11.657 -2.716 323 HG12 VAL 38 2HG1 VAL 38 15.105 11.048 -4.085 324 HG13 VAL 38 3HG1 VAL 38 15.505 12.609 -3.368 325 HG21 VAL 38 3HG2 VAL 38 12.638 14.453 -4.616 326 HG22 VAL 38 1HG2 VAL 38 12.156 13.342 -3.334 327 HG23 VAL 38 2HG2 VAL 38 13.661 14.251 -3.194 328 H ALA 39 H ALA 39 13.438 15.335 -6.535 329 HA ALA 39 HA ALA 39 11.214 14.473 -7.966 330 HB1 ALA 39 1HB ALA 39 12.610 16.971 -7.540 331 HB2 ALA 39 2HB ALA 39 11.943 16.863 -9.169 332 HB3 ALA 39 3HB ALA 39 10.888 16.665 -7.770 333 H ASP 40 H ASP 40 14.548 14.772 -8.942 334 HA ASP 40 HA ASP 40 13.946 14.443 -11.757 335 HB2 ASP 40 1HB ASP 40 15.910 15.785 -10.724 336 HB3 ASP 40 2HB ASP 40 16.690 14.215 -10.552 337 H GLN 41 H GLN 41 14.433 12.441 -9.059 338 HA GLN 41 HA GLN 41 15.547 10.193 -10.455 339 HB2 GLN 41 1HB GLN 41 14.249 10.419 -7.735 340 HB3 GLN 41 2HB GLN 41 15.017 8.961 -8.349 341 HG2 GLN 41 1HG GLN 41 16.569 11.502 -8.281 342 HG3 GLN 41 2HG GLN 41 16.312 10.602 -6.787 343 HE21 GLN 41 2HE2 GLN 41 18.374 11.039 -9.288 344 HE22 GLN 41 1HE2 GLN 41 19.208 9.526 -9.253 345 H ILE 42 H ILE 42 12.344 10.916 -9.072 346 HA ILE 42 HA ILE 42 11.199 8.646 -10.494 347 HB ILE 42 HB ILE 42 9.262 8.916 -9.204 348 HG12 ILE 42 1HG1 ILE 42 10.218 11.666 -8.382 349 HG13 ILE 42 2HG1 ILE 42 9.032 11.366 -9.648 350 HG21 ILE 42 1HG2 ILE 42 10.027 8.864 -6.960 351 HG22 ILE 42 2HG2 ILE 42 11.336 8.230 -7.956 352 HG23 ILE 42 3HG2 ILE 42 11.417 9.880 -7.340 353 HD11 ILE 42 3HD1 ILE 42 7.666 11.818 -7.881 354 HD12 ILE 42 1HD1 ILE 42 7.797 10.065 -7.737 355 HD13 ILE 42 2HD1 ILE 42 8.770 11.110 -6.702 356 H ARG 43 H ARG 43 11.839 11.842 -11.146 357 HA ARG 43 HA ARG 43 11.269 13.200 -12.885 358 HB2 ARG 43 1HB ARG 43 10.970 10.782 -13.963 359 HB3 ARG 43 2HB ARG 43 9.281 11.272 -13.977 360 HG2 ARG 43 1HG ARG 43 11.581 12.699 -15.293 361 HG3 ARG 43 2HG ARG 43 10.291 11.798 -16.092 362 HD2 ARG 43 1HD ARG 43 8.648 13.397 -15.240 363 HD3 ARG 43 2HD ARG 43 9.935 14.292 -14.433 364 HE ARG 43 HE ARG 43 10.713 14.239 -17.035 365 HH11 ARG 43 1HH1 ARG 43 7.810 15.229 -15.388 366 HH12 ARG 43 2HH1 ARG 43 7.409 16.448 -16.552 367 HH21 ARG 43 1HH2 ARG 43 10.197 15.842 -18.574 368 HH22 ARG 43 2HH2 ARG 43 8.767 16.795 -18.364 369 H LEU 44 H LEU 44 10.134 13.974 -10.711 370 HA LEU 44 HA LEU 44 7.409 14.694 -11.499 371 HB2 LEU 44 1HB LEU 44 7.320 12.782 -9.903 372 HB3 LEU 44 2HB LEU 44 8.130 13.799 -8.713 373 HG LEU 44 HG LEU 44 6.219 15.303 -8.668 374 HD11 LEU 44 1HD1 LEU 44 5.040 13.426 -10.709 375 HD12 LEU 44 2HD1 LEU 44 5.462 15.121 -10.946 376 HD13 LEU 44 3HD1 LEU 44 4.144 14.685 -9.858 377 HD21 LEU 44 3HD2 LEU 44 6.336 13.196 -7.261 378 HD22 LEU 44 1HD2 LEU 44 5.190 12.491 -8.401 379 HD23 LEU 44 2HD2 LEU 44 4.739 13.917 -7.467 380 H GLN 45 H GLN 45 6.568 16.545 -10.206 381 HA GLN 45 HA GLN 45 8.284 18.718 -10.287 382 HB2 GLN 45 1HB GLN 45 5.575 18.199 -9.406 383 HB3 GLN 45 2HB GLN 45 6.364 19.374 -8.363 384 HG2 GLN 45 1HG GLN 45 6.641 20.904 -10.072 385 HG3 GLN 45 2HG GLN 45 6.495 19.677 -11.330 386 HE21 GLN 45 2HE2 GLN 45 4.742 20.007 -12.479 387 HE22 GLN 45 1HE2 GLN 45 3.193 20.471 -11.872 388 H GLU 46 H GLU 46 9.246 20.001 -8.642 389 HA GLU 46 HA GLU 46 10.586 18.472 -6.648 390 HB2 GLU 46 1HB GLU 46 11.560 20.655 -5.969 391 HB3 GLU 46 2HB GLU 46 11.727 20.324 -7.687 392 HG2 GLU 46 1HG GLU 46 9.394 21.692 -7.659 393 HG3 GLU 46 2HG GLU 46 10.240 22.439 -6.305 394 H SER 47 H SER 47 7.993 20.877 -6.578 395 HA SER 47 HA SER 47 7.761 20.732 -3.699 396 HB2 SER 47 1HB SER 47 5.924 22.086 -5.688 397 HB3 SER 47 2HB SER 47 5.973 22.357 -3.946 398 HG SER 47 HG SER 47 7.505 23.738 -4.281 399 H ARG 48 H ARG 48 6.440 19.131 -6.431 400 HA ARG 48 HA ARG 48 4.025 18.246 -5.139 401 HB2 ARG 48 1HB ARG 48 4.210 18.542 -7.603 402 HB3 ARG 48 2HB ARG 48 5.340 17.195 -7.649 403 HG2 ARG 48 1HG ARG 48 3.718 15.639 -7.350 404 HG3 ARG 48 2HG ARG 48 2.712 16.713 -6.376 405 HD2 ARG 48 1HD ARG 48 2.417 18.023 -8.599 406 HD3 ARG 48 2HD ARG 48 2.953 16.522 -9.351 407 HE ARG 48 HE ARG 48 0.926 15.582 -8.846 408 HH11 ARG 48 1HH1 ARG 48 1.321 18.516 -7.013 409 HH12 ARG 48 2HH1 ARG 48 -0.308 18.521 -6.423 410 HH21 ARG 48 1HH2 ARG 48 -1.221 15.578 -8.076 411 HH22 ARG 48 2HH2 ARG 48 -1.753 16.850 -7.028 412 H ILE 49 H ILE 49 7.153 16.795 -5.972 413 HA ILE 49 HA ILE 49 6.697 14.193 -5.157 414 HB ILE 49 HB ILE 49 8.841 15.408 -6.158 415 HG12 ILE 49 1HG1 ILE 49 9.004 12.939 -4.415 416 HG13 ILE 49 2HG1 ILE 49 8.398 12.970 -6.068 417 HG21 ILE 49 1HG2 ILE 49 9.179 16.502 -3.862 418 HG22 ILE 49 2HG2 ILE 49 9.770 14.922 -3.350 419 HG23 ILE 49 3HG2 ILE 49 10.584 15.788 -4.653 420 HD11 ILE 49 3HD1 ILE 49 10.957 12.412 -5.334 421 HD12 ILE 49 1HD1 ILE 49 10.450 12.946 -6.936 422 HD13 ILE 49 2HD1 ILE 49 11.063 14.118 -5.769 423 H GLN 50 H GLN 50 7.021 17.046 -3.244 424 HA GLN 50 HA GLN 50 7.882 16.004 -0.810 425 HB2 GLN 50 1HB GLN 50 6.919 18.462 -1.743 426 HB3 GLN 50 2HB GLN 50 5.835 18.014 -0.433 427 HG2 GLN 50 1HG GLN 50 7.890 17.618 0.972 428 HG3 GLN 50 2HG GLN 50 8.812 18.384 -0.321 429 HE21 GLN 50 2HE2 GLN 50 8.358 19.196 2.468 430 HE22 GLN 50 1HE2 GLN 50 7.694 20.788 2.388 431 H VAL 51 H VAL 51 4.629 16.176 -2.188 432 HA VAL 51 HA VAL 51 3.238 15.221 0.066 433 HB VAL 51 HB VAL 51 1.367 14.898 -1.348 434 HG11 VAL 51 1HG1 VAL 51 2.639 17.262 -1.218 435 HG12 VAL 51 2HG1 VAL 51 2.593 17.037 -2.968 436 HG13 VAL 51 3HG1 VAL 51 1.094 17.032 -2.037 437 HG21 VAL 51 3HG2 VAL 51 1.868 13.594 -3.134 438 HG22 VAL 51 1HG2 VAL 51 1.937 15.155 -3.950 439 HG23 VAL 51 2HG2 VAL 51 3.424 14.377 -3.409 440 H TRP 52 H TRP 52 4.958 13.595 -2.508 441 HA TRP 52 HA TRP 52 3.954 10.983 -1.769 442 HB2 TRP 52 1HB TRP 52 5.902 11.986 -3.828 443 HB3 TRP 52 2HB TRP 52 5.777 10.266 -3.467 444 HD1 TRP 52 HD1 TRP 52 2.418 11.686 -3.138 445 HE1 TRP 52 HE1 TRP 52 1.024 11.264 -5.260 446 HE3 TRP 52 HE3 TRP 52 6.171 10.261 -6.304 447 HZ2 TRP 52 HZ2 TRP 52 1.457 10.435 -7.923 448 HZ3 TRP 52 HZ3 TRP 52 5.596 9.669 -8.622 449 HH2 TRP 52 HH2 TRP 52 3.288 9.754 -9.413 450 H PHE 53 H PHE 53 6.524 13.044 -0.864 451 HA PHE 53 HA PHE 53 8.526 11.238 -0.161 452 HB2 PHE 53 1HB PHE 53 8.901 13.645 -0.163 453 HB3 PHE 53 2HB PHE 53 7.762 13.847 1.165 454 HD1 PHE 53 HD2 PHE 53 10.665 11.589 0.518 455 HD2 PHE 53 HD1 PHE 53 8.810 14.400 3.120 456 HE1 PHE 53 HE2 PHE 53 12.502 11.304 2.129 457 HE2 PHE 53 HE1 PHE 53 10.645 14.120 4.736 458 HZ PHE 53 HZ PHE 53 12.494 12.569 4.242 459 H LYS 54 H LYS 54 5.438 11.733 1.211 460 HA LYS 54 HA LYS 54 6.132 10.604 3.794 461 HB2 LYS 54 1HB LYS 54 4.208 12.367 3.027 462 HB3 LYS 54 2HB LYS 54 3.285 10.870 3.063 463 HG2 LYS 54 1HG LYS 54 4.669 10.754 5.419 464 HG3 LYS 54 2HG LYS 54 4.339 12.481 5.254 465 HD2 LYS 54 1HD LYS 54 1.927 11.565 4.617 466 HD3 LYS 54 2HD LYS 54 2.462 10.206 5.609 467 HE2 LYS 54 1HE LYS 54 1.397 11.631 7.122 468 HE3 LYS 54 2HE LYS 54 3.112 11.975 7.343 469 HZ1 LYS 54 3HZ LYS 54 1.107 13.780 6.746 470 HZ2 LYS 54 1HZ LYS 54 2.026 13.644 5.332 471 HZ3 LYS 54 2HZ LYS 54 2.771 14.078 6.787 472 H ASN 55 H ASN 55 5.163 9.499 0.724 473 HA ASN 55 HA ASN 55 3.551 7.364 1.044 474 HB2 ASN 55 1HB ASN 55 4.375 7.764 -1.131 475 HB3 ASN 55 2HB ASN 55 6.053 7.631 -0.612 476 HD21 ASN 55 2HD2 ASN 55 3.224 5.555 -0.111 477 HD22 ASN 55 1HD2 ASN 55 3.934 4.133 -0.790 478 H ARG 56 H ARG 56 7.076 6.849 1.117 479 HA ARG 56 HA ARG 56 6.700 4.477 2.741 480 HB2 ARG 56 1HB ARG 56 8.400 4.905 0.763 481 HB3 ARG 56 2HB ARG 56 9.402 5.551 2.056 482 HG2 ARG 56 1HG ARG 56 8.370 3.070 2.940 483 HG3 ARG 56 2HG ARG 56 8.987 2.845 1.302 484 HD2 ARG 56 1HD ARG 56 10.780 2.421 2.818 485 HD3 ARG 56 2HD ARG 56 11.098 3.966 2.030 486 HE ARG 56 HE ARG 56 10.895 5.009 4.062 487 HH11 ARG 56 1HH1 ARG 56 9.646 1.768 4.298 488 HH12 ARG 56 2HH1 ARG 56 9.472 1.822 6.021 489 HH21 ARG 56 1HH2 ARG 56 10.671 5.092 6.330 490 HH22 ARG 56 2HH2 ARG 56 10.054 3.713 7.176 491 H ARG 57 H ARG 57 8.142 7.687 3.043 492 HA ARG 57 HA ARG 57 9.455 7.484 5.444 493 HB2 ARG 57 1HB ARG 57 9.452 9.514 4.071 494 HB3 ARG 57 2HB ARG 57 7.768 9.802 4.486 495 HG2 ARG 57 1HG ARG 57 8.861 9.645 6.950 496 HG3 ARG 57 2HG ARG 57 10.211 10.315 6.030 497 HD2 ARG 57 1HD ARG 57 8.367 11.916 5.083 498 HD3 ARG 57 2HD ARG 57 7.507 11.464 6.554 499 HE ARG 57 HE ARG 57 10.209 12.310 7.024 500 HH11 ARG 57 1HH1 ARG 57 6.922 13.368 6.588 501 HH12 ARG 57 2HH1 ARG 57 7.148 14.854 7.451 502 HH21 ARG 57 1HH2 ARG 57 10.520 14.262 8.162 503 HH22 ARG 57 2HH2 ARG 57 9.195 15.361 8.345 504 H ALA 58 H ALA 58 6.015 7.579 4.860 505 HA ALA 58 HA ALA 58 5.389 7.879 7.681 506 HB1 ALA 58 1HB ALA 58 3.571 7.456 5.312 507 HB2 ALA 58 2HB ALA 58 3.054 7.826 6.958 508 HB3 ALA 58 3HB ALA 58 3.986 9.008 6.039 509 H LYS 59 H LYS 59 5.496 5.381 5.229 510 HA LYS 59 HA LYS 59 4.022 3.382 6.492 511 HB2 LYS 59 1HB LYS 59 5.950 3.554 4.324 512 HB3 LYS 59 2HB LYS 59 6.114 2.050 5.220 513 HG2 LYS 59 1HG LYS 59 4.613 1.707 3.387 514 HG3 LYS 59 2HG LYS 59 3.695 1.642 4.893 515 HD2 LYS 59 1HD LYS 59 3.457 4.259 4.326 516 HD3 LYS 59 2HD LYS 59 3.602 3.611 2.690 517 HE2 LYS 59 1HE LYS 59 1.654 2.573 4.742 518 HE3 LYS 59 2HE LYS 59 1.255 3.809 3.550 519 HZ1 LYS 59 3HZ LYS 59 2.431 1.315 2.578 520 HZ2 LYS 59 1HZ LYS 59 1.273 2.317 1.858 521 HZ3 LYS 59 2HZ LYS 59 0.824 1.266 3.104 522 H TYR 60 H TYR 60 7.092 4.703 7.284 523 HA TYR 60 HA TYR 60 8.425 2.652 8.533 524 HB2 TYR 60 1HB TYR 60 9.713 4.265 9.564 525 HB3 TYR 60 2HB TYR 60 8.992 5.208 8.264 526 HD1 TYR 60 HD1 TYR 60 6.672 6.341 8.915 527 HD2 TYR 60 HD2 TYR 60 9.669 5.154 11.692 528 HE1 TYR 60 HE1 TYR 60 5.766 7.928 10.562 529 HE2 TYR 60 HE2 TYR 60 8.771 6.737 13.347 530 HH TYR 60 HH TYR 60 7.038 8.088 13.851 531 H ARG 61 H ARG 61 5.571 4.347 9.592 532 HA ARG 61 HA ARG 61 5.666 3.363 12.289 533 HB2 ARG 61 1HB ARG 61 4.476 5.487 11.339 534 HB3 ARG 61 2HB ARG 61 3.166 4.371 10.980 535 HG2 ARG 61 1HG ARG 61 2.916 3.812 13.288 536 HG3 ARG 61 2HG ARG 61 4.371 4.715 13.714 537 HD2 ARG 61 1HD ARG 61 3.327 6.792 13.163 538 HD3 ARG 61 2HD ARG 61 1.933 5.967 12.467 539 HE ARG 61 HE ARG 61 2.358 6.581 15.215 540 HH11 ARG 61 1HH1 ARG 61 0.929 4.244 13.066 541 HH12 ARG 61 2HH1 ARG 61 -0.255 3.717 14.216 542 HH21 ARG 61 1HH2 ARG 61 0.805 5.895 16.738 543 HH22 ARG 61 2HH2 ARG 61 -0.325 4.658 16.304 544 H LEU 62 H LEU 62 4.004 2.475 9.306 545 HA LEU 62 HA LEU 62 2.325 0.499 10.429 546 HB2 LEU 62 1HB LEU 62 2.381 1.668 8.060 547 HB3 LEU 62 2HB LEU 62 3.322 0.239 7.637 548 HG LEU 62 HG LEU 62 0.971 -0.028 7.046 549 HD11 LEU 62 1HD1 LEU 62 1.263 -1.858 9.359 550 HD12 LEU 62 2HD1 LEU 62 2.531 -1.880 8.134 551 HD13 LEU 62 3HD1 LEU 62 0.859 -2.206 7.678 552 HD21 LEU 62 3HD2 LEU 62 0.425 1.378 9.310 553 HD22 LEU 62 1HD2 LEU 62 0.036 -0.267 9.814 554 HD23 LEU 62 2HD2 LEU 62 -0.756 0.433 8.402 555 H GLN 63 H GLN 63 5.614 0.438 9.204 556 HA GLN 63 HA GLN 63 5.815 -2.437 9.369 557 HB2 GLN 63 1HB GLN 63 8.192 -2.061 8.787 558 HB3 GLN 63 2HB GLN 63 7.085 -1.295 7.656 559 HG2 GLN 63 1HG GLN 63 7.588 0.838 8.407 560 HG3 GLN 63 2HG GLN 63 8.231 0.253 9.940 561 HE21 GLN 63 2HE2 GLN 63 8.878 -0.565 6.549 562 HE22 GLN 63 1HE2 GLN 63 10.583 -0.294 6.631 563 H GLU 64 H GLU 64 6.422 0.289 11.412 564 HA GLU 64 HA GLU 64 8.330 -0.686 13.163 565 HB2 GLU 64 1HB GLU 64 7.050 1.608 13.061 566 HB3 GLU 64 2HB GLU 64 5.988 0.838 14.232 567 HG2 GLU 64 1HG GLU 64 8.956 0.930 14.627 568 HG3 GLU 64 2HG GLU 64 7.912 2.265 15.110 569 H LYS 65 H LYS 65 4.798 -0.830 13.658 570 HA LYS 65 HA LYS 65 4.952 -2.619 15.842 571 HB2 LYS 65 1HB LYS 65 2.566 -2.777 15.683 572 HB3 LYS 65 2HB LYS 65 3.018 -1.115 15.327 573 HG2 LYS 65 1HG LYS 65 1.563 -1.417 13.631 574 HG3 LYS 65 2HG LYS 65 2.994 -2.080 12.839 575 HD2 LYS 65 1HD LYS 65 2.196 -4.191 12.882 576 HD3 LYS 65 2HD LYS 65 1.457 -3.989 14.472 577 HE2 LYS 65 1HE LYS 65 -0.468 -3.000 13.574 578 HE3 LYS 65 2HE LYS 65 0.317 -2.666 12.031 579 HZ1 LYS 65 3HZ LYS 65 -1.328 -4.673 12.328 580 HZ2 LYS 65 1HZ LYS 65 0.071 -5.459 12.866 581 HZ3 LYS 65 2HZ LYS 65 0.022 -4.788 11.314 582 H GLN 66 H GLN 66 4.726 -3.080 12.382 583 HA GLN 66 HA GLN 66 3.884 -5.709 12.229 584 HB2 GLN 66 1HB GLN 66 4.768 -3.855 10.431 585 HB3 GLN 66 2HB GLN 66 6.079 -5.026 10.393 586 HG2 GLN 66 1HG GLN 66 3.319 -6.077 10.220 587 HG3 GLN 66 2HG GLN 66 3.946 -5.202 8.824 588 HE21 GLN 66 2HE2 GLN 66 4.699 -6.532 7.354 589 HE22 GLN 66 1HE2 GLN 66 5.577 -7.990 7.646 590 H LYS 67 H LYS 67 7.287 -4.633 12.188 591 HA LYS 67 HA LYS 67 8.372 -7.206 12.528 592 HB2 LYS 67 1HB LYS 67 9.390 -4.420 12.732 593 HB3 LYS 67 2HB LYS 67 10.352 -5.682 13.490 594 HG2 LYS 67 1HG LYS 67 10.737 -6.770 11.456 595 HG3 LYS 67 2HG LYS 67 9.432 -5.902 10.645 596 HD2 LYS 67 1HD LYS 67 11.258 -4.766 9.841 597 HD3 LYS 67 2HD LYS 67 10.879 -3.798 11.268 598 HE2 LYS 67 1HE LYS 67 12.741 -6.098 11.573 599 HE3 LYS 67 2HE LYS 67 13.335 -4.646 10.770 600 HZ1 LYS 67 3HZ LYS 67 13.458 -4.960 13.375 601 HZ2 LYS 67 1HZ LYS 67 11.907 -4.288 13.290 602 HZ3 LYS 67 2HZ LYS 67 13.232 -3.440 12.668 603 HA PRO 68 HA PRO 68 8.068 -8.070 16.819 604 HB2 PRO 68 1HB PRO 68 10.486 -9.173 17.371 605 HB3 PRO 68 2HB PRO 68 9.247 -10.001 16.420 606 HG2 PRO 68 1HG PRO 68 11.658 -8.491 15.486 607 HG3 PRO 68 2HG PRO 68 11.012 -10.037 14.906 608 HD2 PRO 68 1HD PRO 68 10.585 -7.701 13.605 609 HD3 PRO 68 2HD PRO 68 9.399 -9.022 13.610 Start of MODEL 7 1 H1 GLY 1 H GLY 1 0.867 -0.820 -0.176 2 HA2 GLY 1 1HA GLY 1 3.249 -0.906 -1.571 3 HA3 GLY 1 2HA GLY 1 1.688 -0.574 -2.308 4 HA PRO 2 HA PRO 2 4.574 3.129 -2.665 5 HB2 PRO 2 1HB PRO 2 4.682 3.173 -5.377 6 HB3 PRO 2 2HB PRO 2 5.818 2.251 -4.385 7 HG2 PRO 2 1HG PRO 2 3.379 1.310 -5.843 8 HG3 PRO 2 2HG PRO 2 4.977 0.548 -5.727 9 HD2 PRO 2 1HD PRO 2 2.868 -0.254 -4.229 10 HD3 PRO 2 2HD PRO 2 4.542 -0.337 -3.644 11 H ARG 3 H ARG 3 2.538 4.064 -1.833 12 HA ARG 3 HA ARG 3 1.456 5.947 -3.623 13 HB2 ARG 3 1HB ARG 3 0.192 4.089 -4.527 14 HB3 ARG 3 2HB ARG 3 -0.348 3.628 -2.919 15 HG2 ARG 3 1HG ARG 3 -0.996 6.383 -3.678 16 HG3 ARG 3 2HG ARG 3 -1.772 5.139 -4.660 17 HD2 ARG 3 1HD ARG 3 -2.247 4.076 -2.285 18 HD3 ARG 3 2HD ARG 3 -2.079 5.753 -1.766 19 HE ARG 3 HE ARG 3 -4.093 6.221 -2.746 20 HH11 ARG 3 1HH1 ARG 3 -2.932 3.160 -3.930 21 HH12 ARG 3 2HH1 ARG 3 -4.401 2.778 -4.767 22 HH21 ARG 3 1HH2 ARG 3 -6.032 5.730 -3.844 23 HH22 ARG 3 2HH2 ARG 3 -6.163 4.242 -4.718 24 H LYS 4 H LYS 4 0.238 7.525 -2.575 25 HA LYS 4 HA LYS 4 0.021 7.191 0.346 26 HB2 LYS 4 1HB LYS 4 1.707 8.899 -0.743 27 HB3 LYS 4 2HB LYS 4 0.265 9.890 -0.921 28 HG2 LYS 4 1HG LYS 4 1.044 8.692 1.716 29 HG3 LYS 4 2HG LYS 4 1.689 10.238 1.160 30 HD2 LYS 4 1HD LYS 4 -0.149 11.252 1.890 31 HD3 LYS 4 2HD LYS 4 -1.114 10.295 0.763 32 HE2 LYS 4 1HE LYS 4 -1.005 8.452 2.543 33 HE3 LYS 4 2HE LYS 4 -0.459 9.723 3.637 34 HZ1 LYS 4 3HZ LYS 4 -2.496 10.956 3.112 35 HZ2 LYS 4 1HZ LYS 4 -2.829 9.451 3.809 36 HZ3 LYS 4 2HZ LYS 4 -3.025 9.674 2.144 37 H ASN 5 H ASN 5 -1.509 8.287 -2.588 38 HA ASN 5 HA ASN 5 -4.108 7.993 -1.561 39 HB2 ASN 5 1HB ASN 5 -2.873 10.569 -1.077 40 HB3 ASN 5 2HB ASN 5 -4.302 10.735 -2.094 41 HD21 ASN 5 2HD2 ASN 5 -6.014 8.920 -1.196 42 HD22 ASN 5 1HD2 ASN 5 -6.408 9.191 0.464 43 H ARG 6 H ARG 6 -2.850 10.541 -3.697 44 HA ARG 6 HA ARG 6 -4.634 9.757 -5.802 45 HB2 ARG 6 1HB ARG 6 -2.342 11.717 -5.959 46 HB3 ARG 6 2HB ARG 6 -3.736 11.623 -7.027 47 HG2 ARG 6 1HG ARG 6 -3.903 12.275 -4.094 48 HG3 ARG 6 2HG ARG 6 -3.820 13.481 -5.379 49 HD2 ARG 6 1HD ARG 6 -5.964 11.391 -5.019 50 HD3 ARG 6 2HD ARG 6 -6.124 13.116 -4.694 51 HE ARG 6 HE ARG 6 -5.337 12.864 -7.340 52 HH11 ARG 6 1HH1 ARG 6 -8.044 11.951 -5.351 53 HH12 ARG 6 2HH1 ARG 6 -9.189 12.020 -6.650 54 HH21 ARG 6 1HH2 ARG 6 -6.834 12.959 -9.058 55 HH22 ARG 6 2HH2 ARG 6 -8.499 12.593 -8.758 56 H ARG 7 H ARG 7 -3.478 9.823 -8.128 57 HA ARG 7 HA ARG 7 -2.228 7.355 -8.443 58 HB2 ARG 7 1HB ARG 7 -3.232 9.324 -10.126 59 HB3 ARG 7 2HB ARG 7 -1.526 9.245 -10.543 60 HG2 ARG 7 1HG ARG 7 -2.789 7.767 -11.964 61 HG3 ARG 7 2HG ARG 7 -1.746 6.822 -10.899 62 HD2 ARG 7 1HD ARG 7 -3.591 6.273 -9.475 63 HD3 ARG 7 2HD ARG 7 -4.652 7.386 -10.338 64 HE ARG 7 HE ARG 7 -3.628 5.451 -12.120 65 HH11 ARG 7 1HH1 ARG 7 -5.894 5.813 -9.502 66 HH12 ARG 7 2HH1 ARG 7 -6.924 4.529 -10.043 67 HH21 ARG 7 1HH2 ARG 7 -4.975 3.758 -12.842 68 HH22 ARG 7 2HH2 ARG 7 -6.399 3.360 -11.943 69 H GLU 8 H GLU 8 -0.037 7.223 -9.728 70 HA GLU 8 HA GLU 8 1.973 9.004 -8.573 71 HB2 GLU 8 1HB GLU 8 2.343 6.018 -8.449 72 HB3 GLU 8 2HB GLU 8 3.296 7.267 -7.660 73 HG2 GLU 8 1HG GLU 8 2.085 6.567 -5.883 74 HG3 GLU 8 2HG GLU 8 0.979 7.793 -6.501 75 H ARG 9 H ARG 9 4.239 7.677 -9.391 76 HA ARG 9 HA ARG 9 4.552 8.455 -12.013 77 HB2 ARG 9 1HB ARG 9 6.252 7.586 -10.155 78 HB3 ARG 9 2HB ARG 9 6.123 6.101 -11.088 79 HG2 ARG 9 1HG ARG 9 6.635 8.614 -12.574 80 HG3 ARG 9 2HG ARG 9 7.949 7.945 -11.605 81 HD2 ARG 9 1HD ARG 9 7.260 5.711 -12.806 82 HD3 ARG 9 2HD ARG 9 6.586 6.817 -14.003 83 HE ARG 9 HE ARG 9 9.081 7.765 -13.679 84 HH11 ARG 9 1HH1 ARG 9 7.842 4.567 -14.274 85 HH12 ARG 9 2HH1 ARG 9 9.244 4.045 -15.149 86 HH21 ARG 9 1HH2 ARG 9 10.932 7.090 -14.829 87 HH22 ARG 9 2HH2 ARG 9 11.001 5.481 -15.463 88 H THR 10 H THR 10 3.307 5.447 -10.755 89 HA THR 10 HA THR 10 2.027 4.746 -13.156 90 HB THR 10 HB THR 10 4.427 4.253 -13.797 91 HG1 THR 10 HG1 THR 10 3.806 2.299 -14.802 92 HG21 THR 10 3HG2 THR 10 4.169 1.772 -12.142 93 HG22 THR 10 1HG2 THR 10 4.843 3.239 -11.435 94 HG23 THR 10 2HG2 THR 10 5.613 2.504 -12.841 95 H THR 11 H THR 11 1.584 2.158 -13.041 96 HA THR 11 HA THR 11 -0.141 1.738 -10.945 97 HB THR 11 HB THR 11 0.059 -0.714 -11.454 98 HG1 THR 11 HG1 THR 11 2.024 0.236 -13.290 99 HG21 THR 11 3HG2 THR 11 -0.332 -0.126 -14.096 100 HG22 THR 11 1HG2 THR 11 -0.638 1.430 -13.326 101 HG23 THR 11 2HG2 THR 11 -1.560 0.008 -12.837 102 H TYR 12 H TYR 12 3.089 0.242 -11.239 103 HA TYR 12 HA TYR 12 3.535 0.571 -8.397 104 HB2 TYR 12 1HB TYR 12 3.271 -2.158 -9.665 105 HB3 TYR 12 2HB TYR 12 4.054 -1.884 -8.113 106 HD1 TYR 12 HD2 TYR 12 2.613 -0.617 -6.331 107 HD2 TYR 12 HD1 TYR 12 1.000 -2.621 -9.720 108 HE1 TYR 12 HE2 TYR 12 0.434 -0.763 -5.200 109 HE2 TYR 12 HE1 TYR 12 -1.184 -2.771 -8.598 110 HH TYR 12 HH TYR 12 -2.182 -1.016 -6.274 111 H SER 13 H SER 13 5.459 1.536 -8.498 112 HA SER 13 HA SER 13 7.628 0.140 -9.894 113 HB2 SER 13 1HB SER 13 6.609 2.846 -10.460 114 HB3 SER 13 2HB SER 13 8.358 2.749 -10.256 115 HG SER 13 HG SER 13 8.293 1.013 -11.822 116 H ARG 14 H ARG 14 9.801 0.977 -9.204 117 HA ARG 14 HA ARG 14 9.858 1.125 -6.327 118 HB2 ARG 14 1HB ARG 14 12.301 0.987 -6.593 119 HB3 ARG 14 2HB ARG 14 11.473 -0.276 -7.494 120 HG2 ARG 14 1HG ARG 14 11.949 2.133 -9.062 121 HG3 ARG 14 2HG ARG 14 13.427 1.370 -8.470 122 HD2 ARG 14 1HD ARG 14 13.114 -0.515 -9.709 123 HD3 ARG 14 2HD ARG 14 11.356 -0.396 -9.645 124 HE ARG 14 HE ARG 14 12.441 1.708 -11.199 125 HH11 ARG 14 1HH1 ARG 14 11.785 -1.710 -11.281 126 HH12 ARG 14 2HH1 ARG 14 11.620 -1.769 -13.005 127 HH21 ARG 14 1HH2 ARG 14 12.226 1.643 -13.468 128 HH22 ARG 14 2HH2 ARG 14 11.872 0.138 -14.248 129 H GLN 15 H GLN 15 9.972 3.343 -8.932 130 HA GLN 15 HA GLN 15 11.540 5.402 -7.920 131 HB2 GLN 15 1HB GLN 15 9.013 5.646 -9.561 132 HB3 GLN 15 2HB GLN 15 10.234 6.896 -9.366 133 HG2 GLN 15 1HG GLN 15 11.193 4.294 -10.361 134 HG3 GLN 15 2HG GLN 15 10.144 5.207 -11.444 135 HE21 GLN 15 2HE2 GLN 15 12.925 5.727 -9.301 136 HE22 GLN 15 1HE2 GLN 15 13.771 6.785 -10.373 137 H GLN 16 H GLN 16 8.043 4.878 -7.517 138 HA GLN 16 HA GLN 16 7.468 7.097 -5.958 139 HB2 GLN 16 1HB GLN 16 6.249 4.334 -5.866 140 HB3 GLN 16 2HB GLN 16 5.563 5.745 -5.071 141 HG2 GLN 16 1HG GLN 16 4.353 5.724 -7.000 142 HG3 GLN 16 2HG GLN 16 5.686 6.777 -7.472 143 HE21 GLN 16 2HE2 GLN 16 4.074 3.810 -8.014 144 HE22 GLN 16 1HE2 GLN 16 5.059 3.251 -9.318 145 H LEU 17 H LEU 17 8.897 4.026 -5.050 146 HA LEU 17 HA LEU 17 8.835 4.699 -2.222 147 HB2 LEU 17 1HB LEU 17 9.950 2.319 -3.696 148 HB3 LEU 17 2HB LEU 17 9.969 2.508 -1.944 149 HG LEU 17 HG LEU 17 7.300 2.773 -3.087 150 HD11 LEU 17 1HD1 LEU 17 8.964 0.387 -3.722 151 HD12 LEU 17 2HD1 LEU 17 7.711 1.177 -4.678 152 HD13 LEU 17 3HD1 LEU 17 7.265 0.160 -3.308 153 HD21 LEU 17 3HD2 LEU 17 6.683 1.734 -1.160 154 HD22 LEU 17 1HD2 LEU 17 8.263 2.333 -0.653 155 HD23 LEU 17 2HD2 LEU 17 8.079 0.654 -1.162 156 H GLU 18 H GLU 18 10.830 5.273 -4.863 157 HA GLU 18 HA GLU 18 13.372 5.136 -3.573 158 HB2 GLU 18 1HB GLU 18 12.389 6.391 -6.123 159 HB3 GLU 18 2HB GLU 18 14.037 6.640 -5.563 160 HG2 GLU 18 1HG GLU 18 13.207 3.840 -5.584 161 HG3 GLU 18 2HG GLU 18 13.200 4.606 -7.172 162 H ILE 19 H ILE 19 11.037 7.715 -4.194 163 HA ILE 19 HA ILE 19 12.402 9.966 -3.520 164 HB ILE 19 HB ILE 19 9.624 9.352 -2.511 165 HG12 ILE 19 1HG1 ILE 19 9.554 10.903 -4.876 166 HG13 ILE 19 2HG1 ILE 19 10.633 9.549 -5.194 167 HG21 ILE 19 1HG2 ILE 19 10.427 12.054 -3.402 168 HG22 ILE 19 2HG2 ILE 19 9.353 11.562 -2.094 169 HG23 ILE 19 3HG2 ILE 19 11.101 11.486 -1.875 170 HD11 ILE 19 3HD1 ILE 19 7.999 9.021 -3.918 171 HD12 ILE 19 1HD1 ILE 19 8.068 9.364 -5.647 172 HD13 ILE 19 2HD1 ILE 19 8.966 7.999 -4.981 173 H LEU 20 H LEU 20 11.132 7.536 -1.299 174 HA LEU 20 HA LEU 20 12.168 9.016 0.995 175 HB2 LEU 20 1HB LEU 20 10.990 6.343 1.382 176 HB3 LEU 20 2HB LEU 20 10.744 7.834 2.289 177 HG LEU 20 HG LEU 20 8.657 7.302 1.343 178 HD11 LEU 20 1HD1 LEU 20 9.587 9.191 -0.755 179 HD12 LEU 20 2HD1 LEU 20 9.731 9.672 0.935 180 HD13 LEU 20 3HD1 LEU 20 8.153 9.252 0.269 181 HD21 LEU 20 3HD2 LEU 20 10.140 5.984 -0.602 182 HD22 LEU 20 1HD2 LEU 20 9.299 7.265 -1.475 183 HD23 LEU 20 2HD2 LEU 20 8.382 6.106 -0.512 184 H GLU 21 H GLU 21 12.321 5.626 -0.120 185 HA GLU 21 HA GLU 21 14.331 4.679 1.439 186 HB2 GLU 21 1HB GLU 21 13.006 3.724 -0.733 187 HB3 GLU 21 2HB GLU 21 14.619 3.931 -1.401 188 HG2 GLU 21 1HG GLU 21 13.882 2.302 1.019 189 HG3 GLU 21 2HG GLU 21 14.331 1.684 -0.569 190 H THR 22 H THR 22 14.620 6.932 -1.197 191 HA THR 22 HA THR 22 17.530 6.778 -1.189 192 HB THR 22 HB THR 22 15.816 8.676 -2.794 193 HG1 THR 22 HG1 THR 22 16.435 5.961 -3.180 194 HG21 THR 22 3HG2 THR 22 18.169 9.271 -2.699 195 HG22 THR 22 1HG2 THR 22 17.769 8.668 -4.307 196 HG23 THR 22 2HG2 THR 22 18.627 7.633 -3.164 197 H LEU 23 H LEU 23 15.028 9.270 -0.697 198 HA LEU 23 HA LEU 23 16.886 11.193 0.303 199 HB2 LEU 23 1HB LEU 23 14.672 11.672 -0.809 200 HB3 LEU 23 2HB LEU 23 13.902 11.180 0.698 201 HG LEU 23 HG LEU 23 15.911 13.412 0.600 202 HD11 LEU 23 1HD1 LEU 23 13.083 13.397 -0.263 203 HD12 LEU 23 2HD1 LEU 23 14.423 14.421 -0.777 204 HD13 LEU 23 3HD1 LEU 23 13.604 14.742 0.752 205 HD21 LEU 23 3HD2 LEU 23 15.611 13.263 2.801 206 HD22 LEU 23 1HD2 LEU 23 14.263 12.139 2.615 207 HD23 LEU 23 2HD2 LEU 23 13.980 13.878 2.530 208 H PHE 24 H PHE 24 14.135 9.618 1.944 209 HA PHE 24 HA PHE 24 14.661 10.310 4.521 210 HB2 PHE 24 1HB PHE 24 12.681 9.059 3.997 211 HB3 PHE 24 2HB PHE 24 13.630 7.676 3.461 212 HD1 PHE 24 HD1 PHE 24 13.701 9.800 6.529 213 HD2 PHE 24 HD2 PHE 24 13.318 5.898 4.872 214 HE1 PHE 24 HE1 PHE 24 13.588 8.851 8.797 215 HE2 PHE 24 HE2 PHE 24 13.204 4.943 7.137 216 HZ PHE 24 HZ PHE 24 13.338 6.421 9.103 217 H ASN 25 H ASN 25 16.262 7.811 2.637 218 HA ASN 25 HA ASN 25 17.791 6.820 4.863 219 HB2 ASN 25 1HB ASN 25 17.122 5.443 2.857 220 HB3 ASN 25 2HB ASN 25 18.305 6.353 1.922 221 HD21 ASN 25 2HD2 ASN 25 20.073 5.228 1.619 222 HD22 ASN 25 1HD2 ASN 25 20.831 4.183 2.768 223 H GLU 26 H GLU 26 18.396 8.914 2.074 224 HA GLU 26 HA GLU 26 21.128 9.267 2.322 225 HB2 GLU 26 1HB GLU 26 19.868 10.146 0.435 226 HB3 GLU 26 2HB GLU 26 19.039 11.285 1.487 227 HG2 GLU 26 1HG GLU 26 20.826 12.327 0.165 228 HG3 GLU 26 2HG GLU 26 21.086 12.473 1.902 229 H THR 27 H THR 27 18.522 11.075 3.916 230 HA THR 27 HA THR 27 19.969 11.490 6.290 231 HB THR 27 HB THR 27 19.822 14.182 5.690 232 HG1 THR 27 HG1 THR 27 19.626 13.710 3.458 233 HG21 THR 27 3HG2 THR 27 21.633 12.560 6.772 234 HG22 THR 27 1HG2 THR 27 22.043 14.184 6.221 235 HG23 THR 27 2HG2 THR 27 22.401 12.790 5.201 236 H GLN 28 H GLN 28 18.896 13.368 7.608 237 HA GLN 28 HA GLN 28 15.998 13.117 7.193 238 HB2 GLN 28 1HB GLN 28 17.661 13.568 9.663 239 HB3 GLN 28 2HB GLN 28 15.924 13.841 9.647 240 HG2 GLN 28 1HG GLN 28 15.682 11.462 8.846 241 HG3 GLN 28 2HG GLN 28 17.393 11.259 9.218 242 HE21 GLN 28 2HE2 GLN 28 18.076 11.424 11.388 243 HE22 GLN 28 1HE2 GLN 28 16.970 11.178 12.692 244 H TYR 29 H TYR 29 17.330 15.000 5.647 245 HA TYR 29 HA TYR 29 16.593 17.550 6.923 246 HB2 TYR 29 1HB TYR 29 18.461 17.110 4.586 247 HB3 TYR 29 2HB TYR 29 18.132 18.643 5.384 248 HD1 TYR 29 HD1 TYR 29 18.238 17.837 8.229 249 HD2 TYR 29 HD2 TYR 29 20.736 16.748 4.961 250 HE1 TYR 29 HE1 TYR 29 20.092 17.424 9.792 251 HE2 TYR 29 HE2 TYR 29 22.596 16.331 6.515 252 HH TYR 29 HH TYR 29 23.056 15.923 8.771 253 HA PRO 30 HA PRO 30 13.406 16.809 3.659 254 HB2 PRO 30 1HB PRO 30 11.351 17.793 5.136 255 HB3 PRO 30 2HB PRO 30 11.893 16.114 5.243 256 HG2 PRO 30 1HG PRO 30 12.517 18.424 7.042 257 HG3 PRO 30 2HG PRO 30 12.108 16.752 7.468 258 HD2 PRO 30 1HD PRO 30 14.654 17.673 7.466 259 HD3 PRO 30 2HD PRO 30 14.247 15.993 7.065 260 H ASP 31 H ASP 31 14.754 18.579 2.684 261 HA ASP 31 HA ASP 31 13.296 21.130 2.857 262 HB2 ASP 31 1HB ASP 31 16.263 20.948 2.337 263 HB3 ASP 31 2HB ASP 31 15.311 22.388 2.690 264 H VAL 32 H VAL 32 13.990 22.549 0.866 265 HA VAL 32 HA VAL 32 12.942 21.409 -1.421 266 HB VAL 32 HB VAL 32 14.060 23.292 -2.667 267 HG11 VAL 32 1HG1 VAL 32 12.319 23.672 -0.272 268 HG12 VAL 32 2HG1 VAL 32 12.868 25.081 -1.182 269 HG13 VAL 32 3HG1 VAL 32 11.925 23.824 -1.984 270 HG21 VAL 32 3HG2 VAL 32 15.105 25.046 -1.189 271 HG22 VAL 32 1HG2 VAL 32 15.190 23.817 0.073 272 HG23 VAL 32 2HG2 VAL 32 16.070 23.591 -1.438 273 H PHE 33 H PHE 33 16.345 21.754 -0.489 274 HA PHE 33 HA PHE 33 17.538 20.831 -2.820 275 HB2 PHE 33 1HB PHE 33 18.376 21.481 -0.214 276 HB3 PHE 33 2HB PHE 33 18.957 19.846 -0.510 277 HD1 PHE 33 HD2 PHE 33 18.694 23.032 -2.442 278 HD2 PHE 33 HD1 PHE 33 21.099 19.715 -1.290 279 HE1 PHE 33 HE2 PHE 33 20.567 23.939 -3.754 280 HE2 PHE 33 HE1 PHE 33 22.977 20.617 -2.600 281 HZ PHE 33 HZ PHE 33 22.712 22.731 -3.835 282 H ALA 34 H ALA 34 15.766 19.110 -0.414 283 HA ALA 34 HA ALA 34 16.780 16.512 -1.216 284 HB1 ALA 34 1HB ALA 34 15.880 17.372 1.146 285 HB2 ALA 34 2HB ALA 34 14.377 16.713 0.498 286 HB3 ALA 34 3HB ALA 34 15.799 15.681 0.650 287 H ARG 35 H ARG 35 13.488 17.881 -1.001 288 HA ARG 35 HA ARG 35 12.235 15.990 -2.601 289 HB2 ARG 35 1HB ARG 35 10.485 17.746 -2.960 290 HB3 ARG 35 2HB ARG 35 10.918 17.488 -1.275 291 HG2 ARG 35 1HG ARG 35 12.448 19.469 -1.469 292 HG3 ARG 35 2HG ARG 35 11.728 19.772 -3.051 293 HD2 ARG 35 1HD ARG 35 10.421 21.109 -1.720 294 HD3 ARG 35 2HD ARG 35 9.480 19.618 -1.718 295 HE ARG 35 HE ARG 35 11.044 19.315 0.447 296 HH11 ARG 35 1HH1 ARG 35 9.025 21.934 -0.641 297 HH12 ARG 35 2HH1 ARG 35 8.658 22.489 0.959 298 HH21 ARG 35 1HH2 ARG 35 10.568 20.036 2.559 299 HH22 ARG 35 2HH2 ARG 35 9.537 21.409 2.778 300 H GLU 36 H GLU 36 13.629 19.125 -3.534 301 HA GLU 36 HA GLU 36 12.956 19.039 -6.245 302 HB2 GLU 36 1HB GLU 36 13.812 21.043 -5.059 303 HB3 GLU 36 2HB GLU 36 15.405 20.302 -5.004 304 HG2 GLU 36 1HG GLU 36 15.724 20.515 -7.294 305 HG3 GLU 36 2HG GLU 36 14.003 20.723 -7.611 306 H ARG 37 H ARG 37 15.382 17.348 -4.462 307 HA ARG 37 HA ARG 37 17.004 16.681 -6.743 308 HB2 ARG 37 1HB ARG 37 17.922 16.838 -4.438 309 HB3 ARG 37 2HB ARG 37 16.967 15.431 -3.991 310 HG2 ARG 37 1HG ARG 37 18.260 14.402 -6.084 311 HG3 ARG 37 2HG ARG 37 19.442 15.616 -5.591 312 HD2 ARG 37 1HD ARG 37 19.347 14.697 -3.289 313 HD3 ARG 37 2HD ARG 37 18.274 13.428 -3.877 314 HE ARG 37 HE ARG 37 20.103 12.338 -4.690 315 HH11 ARG 37 1HH1 ARG 37 20.922 15.690 -4.228 316 HH12 ARG 37 2HH1 ARG 37 22.595 15.471 -4.621 317 HH21 ARG 37 1HH2 ARG 37 22.303 12.037 -5.209 318 HH22 ARG 37 2HH2 ARG 37 23.379 13.392 -5.180 319 H VAL 38 H VAL 38 15.099 14.648 -4.509 320 HA VAL 38 HA VAL 38 15.115 12.328 -6.018 321 HB VAL 38 HB VAL 38 12.896 11.824 -4.851 322 HG11 VAL 38 1HG1 VAL 38 13.976 11.394 -2.757 323 HG12 VAL 38 2HG1 VAL 38 15.161 11.161 -4.044 324 HG13 VAL 38 3HG1 VAL 38 15.190 12.633 -3.073 325 HG21 VAL 38 3HG2 VAL 38 12.031 13.291 -3.269 326 HG22 VAL 38 1HG2 VAL 38 13.514 14.242 -3.198 327 HG23 VAL 38 2HG2 VAL 38 12.458 14.360 -4.605 328 H ALA 39 H ALA 39 13.299 15.236 -6.485 329 HA ALA 39 HA ALA 39 11.132 14.325 -7.972 330 HB1 ALA 39 1HB ALA 39 12.101 16.789 -9.070 331 HB2 ALA 39 2HB ALA 39 10.686 16.497 -8.058 332 HB3 ALA 39 3HB ALA 39 12.253 16.813 -7.313 333 H ASP 40 H ASP 40 14.482 14.685 -8.859 334 HA ASP 40 HA ASP 40 13.961 14.363 -11.691 335 HB2 ASP 40 1HB ASP 40 15.864 15.745 -10.643 336 HB3 ASP 40 2HB ASP 40 16.664 14.199 -10.375 337 H GLN 41 H GLN 41 14.422 12.356 -8.988 338 HA GLN 41 HA GLN 41 15.595 10.132 -10.375 339 HB2 GLN 41 1HB GLN 41 14.303 10.396 -7.661 340 HB3 GLN 41 2HB GLN 41 14.974 8.887 -8.265 341 HG2 GLN 41 1HG GLN 41 16.623 11.382 -8.134 342 HG3 GLN 41 2HG GLN 41 16.421 10.334 -6.732 343 HE21 GLN 41 2HE2 GLN 41 18.901 10.621 -7.474 344 HE22 GLN 41 1HE2 GLN 41 19.499 9.249 -8.336 345 H ILE 42 H ILE 42 12.363 10.795 -9.030 346 HA ILE 42 HA ILE 42 11.272 8.512 -10.469 347 HB ILE 42 HB ILE 42 9.309 8.761 -9.214 348 HG12 ILE 42 1HG1 ILE 42 10.223 11.532 -8.412 349 HG13 ILE 42 2HG1 ILE 42 9.030 11.193 -9.661 350 HG21 ILE 42 1HG2 ILE 42 11.460 9.738 -7.346 351 HG22 ILE 42 2HG2 ILE 42 10.040 8.776 -6.939 352 HG23 ILE 42 3HG2 ILE 42 11.329 8.074 -7.917 353 HD11 ILE 42 3HD1 ILE 42 7.853 9.889 -7.703 354 HD12 ILE 42 1HD1 ILE 42 8.800 10.998 -6.711 355 HD13 ILE 42 2HD1 ILE 42 7.661 11.631 -7.901 356 H ARG 43 H ARG 43 11.914 11.682 -11.163 357 HA ARG 43 HA ARG 43 11.341 13.039 -12.899 358 HB2 ARG 43 1HB ARG 43 11.263 10.778 -14.102 359 HB3 ARG 43 2HB ARG 43 9.518 10.865 -13.908 360 HG2 ARG 43 1HG ARG 43 10.149 11.643 -16.101 361 HG3 ARG 43 2HG ARG 43 9.500 12.982 -15.152 362 HD2 ARG 43 1HD ARG 43 11.686 13.847 -14.743 363 HD3 ARG 43 2HD ARG 43 12.443 12.407 -15.424 364 HE ARG 43 HE ARG 43 10.959 13.398 -17.475 365 HH11 ARG 43 1HH1 ARG 43 13.398 14.724 -15.374 366 HH12 ARG 43 2HH1 ARG 43 13.993 15.843 -16.555 367 HH21 ARG 43 1HH2 ARG 43 11.733 14.867 -19.039 368 HH22 ARG 43 2HH2 ARG 43 13.045 15.924 -18.639 369 H LEU 44 H LEU 44 10.143 13.787 -10.744 370 HA LEU 44 HA LEU 44 7.423 14.459 -11.596 371 HB2 LEU 44 1HB LEU 44 7.419 12.540 -9.953 372 HB3 LEU 44 2HB LEU 44 8.063 13.669 -8.763 373 HG LEU 44 HG LEU 44 6.039 15.003 -8.894 374 HD11 LEU 44 1HD1 LEU 44 4.203 13.452 -10.257 375 HD12 LEU 44 2HD1 LEU 44 5.623 13.445 -11.303 376 HD13 LEU 44 3HD1 LEU 44 4.902 14.976 -10.805 377 HD21 LEU 44 3HD2 LEU 44 5.281 12.104 -8.591 378 HD22 LEU 44 1HD2 LEU 44 4.550 13.502 -7.802 379 HD23 LEU 44 2HD2 LEU 44 6.191 13.008 -7.380 380 H GLN 45 H GLN 45 6.515 16.278 -10.258 381 HA GLN 45 HA GLN 45 8.194 18.493 -10.343 382 HB2 GLN 45 1HB GLN 45 5.478 17.924 -9.508 383 HB3 GLN 45 2HB GLN 45 6.226 19.124 -8.463 384 HG2 GLN 45 1HG GLN 45 6.661 20.571 -10.295 385 HG3 GLN 45 2HG GLN 45 6.210 19.327 -11.460 386 HE21 GLN 45 2HE2 GLN 45 4.224 19.396 -12.229 387 HE22 GLN 45 1HE2 GLN 45 2.890 20.235 -11.522 388 H GLU 46 H GLU 46 9.030 19.833 -8.643 389 HA GLU 46 HA GLU 46 10.378 18.323 -6.626 390 HB2 GLU 46 1HB GLU 46 11.246 20.570 -5.917 391 HB3 GLU 46 2HB GLU 46 11.553 20.159 -7.598 392 HG2 GLU 46 1HG GLU 46 9.097 21.501 -7.576 393 HG3 GLU 46 2HG GLU 46 10.158 22.406 -6.498 394 H SER 47 H SER 47 7.656 20.553 -6.680 395 HA SER 47 HA SER 47 7.391 20.541 -3.800 396 HB2 SER 47 1HB SER 47 6.800 22.483 -5.404 397 HB3 SER 47 2HB SER 47 5.318 21.580 -5.720 398 HG SER 47 HG SER 47 6.134 22.925 -3.429 399 H ARG 48 H ARG 48 6.004 18.902 -6.547 400 HA ARG 48 HA ARG 48 3.731 17.841 -5.206 401 HB2 ARG 48 1HB ARG 48 3.791 17.997 -7.633 402 HB3 ARG 48 2HB ARG 48 5.170 16.907 -7.694 403 HG2 ARG 48 1HG ARG 48 3.690 15.281 -8.012 404 HG3 ARG 48 2HG ARG 48 3.283 15.462 -6.304 405 HD2 ARG 48 1HD ARG 48 1.309 16.445 -6.751 406 HD3 ARG 48 2HD ARG 48 1.967 17.380 -8.093 407 HE ARG 48 HE ARG 48 1.834 14.727 -8.914 408 HH11 ARG 48 1HH1 ARG 48 -0.340 17.273 -7.960 409 HH12 ARG 48 2HH1 ARG 48 -1.649 16.700 -8.940 410 HH21 ARG 48 1HH2 ARG 48 0.119 13.963 -10.209 411 HH22 ARG 48 2HH2 ARG 48 -1.387 14.817 -10.219 412 H ILE 49 H ILE 49 6.937 16.522 -5.980 413 HA ILE 49 HA ILE 49 6.606 13.953 -4.993 414 HB ILE 49 HB ILE 49 8.687 15.266 -6.102 415 HG12 ILE 49 1HG1 ILE 49 8.887 12.745 -4.438 416 HG13 ILE 49 2HG1 ILE 49 8.290 12.831 -6.092 417 HG21 ILE 49 1HG2 ILE 49 9.091 16.321 -3.816 418 HG22 ILE 49 2HG2 ILE 49 9.659 14.731 -3.312 419 HG23 ILE 49 3HG2 ILE 49 10.478 15.586 -4.619 420 HD11 ILE 49 3HD1 ILE 49 10.343 12.780 -6.932 421 HD12 ILE 49 1HD1 ILE 49 10.924 14.007 -5.807 422 HD13 ILE 49 2HD1 ILE 49 10.874 12.314 -5.316 423 H GLN 50 H GLN 50 6.824 16.934 -3.290 424 HA GLN 50 HA GLN 50 7.814 16.082 -0.818 425 HB2 GLN 50 1HB GLN 50 6.838 18.456 -1.872 426 HB3 GLN 50 2HB GLN 50 5.706 18.077 -0.581 427 HG2 GLN 50 1HG GLN 50 8.485 17.727 0.204 428 HG3 GLN 50 2HG GLN 50 8.105 19.373 -0.301 429 HE21 GLN 50 2HE2 GLN 50 8.505 17.717 2.336 430 HE22 GLN 50 1HE2 GLN 50 7.281 18.372 3.363 431 H VAL 51 H VAL 51 4.516 16.102 -2.099 432 HA VAL 51 HA VAL 51 3.268 15.201 0.284 433 HB VAL 51 HB VAL 51 1.294 14.952 -0.963 434 HG11 VAL 51 1HG1 VAL 51 2.703 17.262 -1.084 435 HG12 VAL 51 2HG1 VAL 51 2.405 16.963 -2.797 436 HG13 VAL 51 3HG1 VAL 51 1.051 17.074 -1.671 437 HG21 VAL 51 3HG2 VAL 51 3.142 14.295 -3.188 438 HG22 VAL 51 1HG2 VAL 51 1.622 13.537 -2.713 439 HG23 VAL 51 2HG2 VAL 51 1.608 15.058 -3.605 440 H TRP 52 H TRP 52 4.840 13.585 -2.377 441 HA TRP 52 HA TRP 52 3.845 10.973 -1.627 442 HB2 TRP 52 1HB TRP 52 5.977 11.744 -3.632 443 HB3 TRP 52 2HB TRP 52 5.259 10.145 -3.455 444 HD1 TRP 52 HD1 TRP 52 5.020 12.952 -5.660 445 HE1 TRP 52 HE1 TRP 52 2.733 13.085 -6.832 446 HE3 TRP 52 HE3 TRP 52 2.383 9.766 -2.656 447 HZ2 TRP 52 HZ2 TRP 52 0.151 11.986 -6.523 448 HZ3 TRP 52 HZ3 TRP 52 0.009 9.361 -3.162 449 HH2 TRP 52 HH2 TRP 52 -1.082 10.449 -5.056 450 H PHE 53 H PHE 53 6.474 13.003 -0.811 451 HA PHE 53 HA PHE 53 8.468 11.152 -0.184 452 HB2 PHE 53 1HB PHE 53 8.988 13.496 -0.215 453 HB3 PHE 53 2HB PHE 53 7.808 13.830 1.048 454 HD1 PHE 53 HD2 PHE 53 10.717 11.534 0.577 455 HD2 PHE 53 HD1 PHE 53 8.702 14.313 3.093 456 HE1 PHE 53 HE2 PHE 53 12.470 11.256 2.282 457 HE2 PHE 53 HE1 PHE 53 10.452 14.041 4.802 458 HZ PHE 53 HZ PHE 53 12.338 12.510 4.397 459 H LYS 54 H LYS 54 5.451 11.725 1.300 460 HA LYS 54 HA LYS 54 6.222 10.625 3.874 461 HB2 LYS 54 1HB LYS 54 4.524 12.460 3.629 462 HB3 LYS 54 2HB LYS 54 3.451 11.292 2.868 463 HG2 LYS 54 1HG LYS 54 3.433 9.959 4.902 464 HG3 LYS 54 2HG LYS 54 4.545 11.096 5.668 465 HD2 LYS 54 1HD LYS 54 2.858 12.882 5.376 466 HD3 LYS 54 2HD LYS 54 1.743 11.685 4.711 467 HE2 LYS 54 1HE LYS 54 1.700 10.486 6.788 468 HE3 LYS 54 2HE LYS 54 2.979 11.500 7.454 469 HZ1 LYS 54 3HZ LYS 54 0.974 12.302 8.344 470 HZ2 LYS 54 1HZ LYS 54 0.184 12.264 6.848 471 HZ3 LYS 54 2HZ LYS 54 1.393 13.410 7.136 472 H ASN 55 H ASN 55 5.134 9.483 0.860 473 HA ASN 55 HA ASN 55 3.501 7.378 1.270 474 HB2 ASN 55 1HB ASN 55 4.298 7.783 -0.936 475 HB3 ASN 55 2HB ASN 55 5.972 7.519 -0.457 476 HD21 ASN 55 2HD2 ASN 55 6.666 5.762 -1.434 477 HD22 ASN 55 1HD2 ASN 55 5.827 4.255 -1.531 478 H ARG 56 H ARG 56 7.016 6.802 1.223 479 HA ARG 56 HA ARG 56 6.665 4.464 2.897 480 HB2 ARG 56 1HB ARG 56 8.303 4.833 0.863 481 HB3 ARG 56 2HB ARG 56 9.352 5.503 2.105 482 HG2 ARG 56 1HG ARG 56 8.300 3.026 3.037 483 HG3 ARG 56 2HG ARG 56 8.960 2.798 1.416 484 HD2 ARG 56 1HD ARG 56 11.094 3.356 2.059 485 HD3 ARG 56 2HD ARG 56 10.542 4.346 3.410 486 HE ARG 56 HE ARG 56 10.525 2.474 4.744 487 HH11 ARG 56 1HH1 ARG 56 10.884 1.535 1.410 488 HH12 ARG 56 2HH1 ARG 56 11.249 -0.118 1.779 489 HH21 ARG 56 1HH2 ARG 56 11.004 0.300 5.242 490 HH22 ARG 56 2HH2 ARG 56 11.315 -0.820 3.959 491 H ARG 57 H ARG 57 8.127 7.668 3.116 492 HA ARG 57 HA ARG 57 9.536 7.503 5.457 493 HB2 ARG 57 1HB ARG 57 9.531 9.538 4.180 494 HB3 ARG 57 2HB ARG 57 7.806 9.757 4.439 495 HG2 ARG 57 1HG ARG 57 8.977 11.277 5.853 496 HG3 ARG 57 2HG ARG 57 8.266 10.021 6.868 497 HD2 ARG 57 1HD ARG 57 10.962 9.390 5.943 498 HD3 ARG 57 2HD ARG 57 10.882 10.847 6.933 499 HE ARG 57 HE ARG 57 10.547 8.148 7.813 500 HH11 ARG 57 1HH1 ARG 57 9.630 11.450 8.428 501 HH12 ARG 57 2HH1 ARG 57 9.308 11.184 10.110 502 HH21 ARG 57 1HH2 ARG 57 10.126 7.786 10.025 503 HH22 ARG 57 2HH2 ARG 57 9.591 9.099 11.017 504 H ALA 58 H ALA 58 6.074 7.517 5.031 505 HA ALA 58 HA ALA 58 5.571 7.826 7.877 506 HB1 ALA 58 1HB ALA 58 3.749 7.490 5.506 507 HB2 ALA 58 2HB ALA 58 3.170 7.555 7.171 508 HB3 ALA 58 3HB ALA 58 4.015 8.939 6.476 509 H LYS 59 H LYS 59 5.557 5.318 5.421 510 HA LYS 59 HA LYS 59 4.206 3.299 6.769 511 HB2 LYS 59 1HB LYS 59 6.056 3.484 4.522 512 HB3 LYS 59 2HB LYS 59 6.227 1.975 5.408 513 HG2 LYS 59 1HG LYS 59 4.649 1.811 3.531 514 HG3 LYS 59 2HG LYS 59 3.894 1.468 5.089 515 HD2 LYS 59 1HD LYS 59 2.462 3.166 4.866 516 HD3 LYS 59 2HD LYS 59 3.748 4.284 4.405 517 HE2 LYS 59 1HE LYS 59 2.587 4.288 2.455 518 HE3 LYS 59 2HE LYS 59 3.605 2.882 2.146 519 HZ1 LYS 59 3HZ LYS 59 1.029 2.772 1.816 520 HZ2 LYS 59 1HZ LYS 59 1.027 2.476 3.482 521 HZ3 LYS 59 2HZ LYS 59 1.875 1.447 2.440 522 H TYR 60 H TYR 60 7.300 4.667 7.388 523 HA TYR 60 HA TYR 60 8.714 2.640 8.590 524 HB2 TYR 60 1HB TYR 60 10.052 4.275 9.501 525 HB3 TYR 60 2HB TYR 60 9.223 5.214 8.264 526 HD1 TYR 60 HD1 TYR 60 6.979 6.356 9.072 527 HD2 TYR 60 HD2 TYR 60 10.124 5.112 11.654 528 HE1 TYR 60 HE1 TYR 60 6.180 7.924 10.790 529 HE2 TYR 60 HE2 TYR 60 9.333 6.676 13.380 530 HH TYR 60 HH TYR 60 7.153 9.143 12.765 531 H ARG 61 H ARG 61 5.906 4.328 9.775 532 HA ARG 61 HA ARG 61 6.155 3.353 12.472 533 HB2 ARG 61 1HB ARG 61 4.931 5.494 11.567 534 HB3 ARG 61 2HB ARG 61 3.585 4.385 11.338 535 HG2 ARG 61 1HG ARG 61 3.237 4.122 13.569 536 HG3 ARG 61 2HG ARG 61 4.934 4.382 13.978 537 HD2 ARG 61 1HD ARG 61 3.915 6.304 14.778 538 HD3 ARG 61 2HD ARG 61 4.507 6.807 13.195 539 HE ARG 61 HE ARG 61 1.930 5.908 12.798 540 HH11 ARG 61 1HH1 ARG 61 3.499 8.397 14.659 541 HH12 ARG 61 2HH1 ARG 61 2.141 9.472 14.609 542 HH21 ARG 61 1HH2 ARG 61 0.135 7.314 12.725 543 HH22 ARG 61 2HH2 ARG 61 0.228 8.855 13.510 544 H LEU 62 H LEU 62 4.321 2.492 9.586 545 HA LEU 62 HA LEU 62 2.660 0.553 10.786 546 HB2 LEU 62 1HB LEU 62 2.665 1.696 8.398 547 HB3 LEU 62 2HB LEU 62 3.546 0.232 7.966 548 HG LEU 62 HG LEU 62 1.168 0.030 7.464 549 HD11 LEU 62 1HD1 LEU 62 1.857 -1.723 9.810 550 HD12 LEU 62 2HD1 LEU 62 2.542 -1.933 8.199 551 HD13 LEU 62 3HD1 LEU 62 0.805 -2.102 8.447 552 HD21 LEU 62 3HD2 LEU 62 0.828 1.395 9.873 553 HD22 LEU 62 1HD2 LEU 62 0.187 -0.223 10.161 554 HD23 LEU 62 2HD2 LEU 62 -0.435 0.747 8.826 555 H GLN 63 H GLN 63 5.686 0.201 8.937 556 HA GLN 63 HA GLN 63 5.904 -2.585 9.245 557 HB2 GLN 63 1HB GLN 63 8.197 -2.328 8.518 558 HB3 GLN 63 2HB GLN 63 7.164 -1.263 7.573 559 HG2 GLN 63 1HG GLN 63 7.893 0.649 8.778 560 HG3 GLN 63 2HG GLN 63 8.730 -0.346 9.968 561 HE21 GLN 63 2HE2 GLN 63 10.748 -1.096 9.536 562 HE22 GLN 63 1HE2 GLN 63 11.649 -0.671 8.125 563 H GLU 64 H GLU 64 6.593 0.034 11.387 564 HA GLU 64 HA GLU 64 8.523 -1.009 13.062 565 HB2 GLU 64 1HB GLU 64 7.217 1.268 13.104 566 HB3 GLU 64 2HB GLU 64 6.173 0.423 14.238 567 HG2 GLU 64 1HG GLU 64 7.783 0.305 15.854 568 HG3 GLU 64 2HG GLU 64 9.108 0.352 14.693 569 H LYS 65 H LYS 65 5.092 -1.745 12.908 570 HA LYS 65 HA LYS 65 5.444 -3.722 15.061 571 HB2 LYS 65 1HB LYS 65 2.911 -3.697 15.123 572 HB3 LYS 65 2HB LYS 65 3.706 -2.222 15.657 573 HG2 LYS 65 1HG LYS 65 2.962 -2.362 12.802 574 HG3 LYS 65 2HG LYS 65 1.641 -2.243 13.967 575 HD2 LYS 65 1HD LYS 65 3.983 -0.406 14.210 576 HD3 LYS 65 2HD LYS 65 2.749 -0.080 12.991 577 HE2 LYS 65 1HE LYS 65 2.134 -0.532 15.905 578 HE3 LYS 65 2HE LYS 65 2.415 1.063 15.208 579 HZ1 LYS 65 3HZ LYS 65 0.570 0.539 13.626 580 HZ2 LYS 65 1HZ LYS 65 0.092 0.712 15.240 581 HZ3 LYS 65 2HZ LYS 65 0.228 -0.830 14.559 582 H GLN 66 H GLN 66 4.598 -3.267 11.724 583 HA GLN 66 HA GLN 66 3.288 -5.651 11.157 584 HB2 GLN 66 1HB GLN 66 4.178 -3.506 9.690 585 HB3 GLN 66 2HB GLN 66 5.192 -4.812 9.090 586 HG2 GLN 66 1HG GLN 66 2.300 -5.369 9.319 587 HG3 GLN 66 2HG GLN 66 2.801 -4.232 8.069 588 HE21 GLN 66 2HE2 GLN 66 1.736 -7.051 8.046 589 HE22 GLN 66 1HE2 GLN 66 2.840 -7.915 7.036 590 H LYS 67 H LYS 67 6.765 -4.987 10.694 591 HA LYS 67 HA LYS 67 7.264 -7.875 10.746 592 HB2 LYS 67 1HB LYS 67 9.559 -7.192 9.935 593 HB3 LYS 67 2HB LYS 67 8.232 -6.847 8.834 594 HG2 LYS 67 1HG LYS 67 8.240 -4.520 9.507 595 HG3 LYS 67 2HG LYS 67 9.513 -4.846 10.685 596 HD2 LYS 67 1HD LYS 67 10.441 -3.857 8.661 597 HD3 LYS 67 2HD LYS 67 11.016 -5.513 8.866 598 HE2 LYS 67 1HE LYS 67 9.643 -6.322 7.155 599 HE3 LYS 67 2HE LYS 67 8.608 -4.895 7.188 600 HZ1 LYS 67 3HZ LYS 67 9.827 -4.140 5.512 601 HZ2 LYS 67 1HZ LYS 67 10.981 -5.365 5.686 602 HZ3 LYS 67 2HZ LYS 67 11.111 -3.946 6.596 603 HA PRO 68 HA PRO 68 9.129 -7.837 14.719 604 HB2 PRO 68 1HB PRO 68 11.105 -9.672 14.406 605 HB3 PRO 68 2HB PRO 68 9.394 -10.108 14.491 606 HG2 PRO 68 1HG PRO 68 11.152 -9.793 12.088 607 HG3 PRO 68 2HG PRO 68 9.951 -11.051 12.440 608 HD2 PRO 68 1HD PRO 68 9.437 -8.965 10.791 609 HD3 PRO 68 2HD PRO 68 8.183 -9.719 11.797 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.441 0.101 1.307 2 HA2 GLY 1 1HA GLY 1 2.926 -0.203 -0.657 3 HA3 GLY 1 2HA GLY 1 1.407 0.553 -1.116 4 HA PRO 2 HA PRO 2 5.113 3.184 -2.379 5 HB2 PRO 2 1HB PRO 2 4.731 3.008 -5.061 6 HB3 PRO 2 2HB PRO 2 5.727 1.862 -4.155 7 HG2 PRO 2 1HG PRO 2 2.898 1.584 -5.094 8 HG3 PRO 2 2HG PRO 2 4.213 0.396 -5.138 9 HD2 PRO 2 1HD PRO 2 2.277 0.355 -3.246 10 HD3 PRO 2 2HD PRO 2 3.939 -0.177 -2.923 11 H ARG 3 H ARG 3 1.744 3.094 -2.720 12 HA ARG 3 HA ARG 3 1.690 5.877 -3.687 13 HB2 ARG 3 1HB ARG 3 -0.760 5.323 -4.202 14 HB3 ARG 3 2HB ARG 3 0.468 4.619 -5.245 15 HG2 ARG 3 1HG ARG 3 0.066 2.502 -4.528 16 HG3 ARG 3 2HG ARG 3 -0.416 3.023 -2.912 17 HD2 ARG 3 1HD ARG 3 -2.516 3.920 -3.891 18 HD3 ARG 3 2HD ARG 3 -2.037 3.237 -5.445 19 HE ARG 3 HE ARG 3 -2.092 1.325 -3.296 20 HH11 ARG 3 1HH1 ARG 3 -3.952 2.916 -5.772 21 HH12 ARG 3 2HH1 ARG 3 -5.139 1.658 -5.871 22 HH21 ARG 3 1HH2 ARG 3 -3.649 -0.337 -3.417 23 HH22 ARG 3 2HH2 ARG 3 -4.967 -0.191 -4.530 24 H LYS 4 H LYS 4 1.221 7.349 -2.206 25 HA LYS 4 HA LYS 4 0.100 6.539 0.348 26 HB2 LYS 4 1HB LYS 4 2.062 8.210 -0.077 27 HB3 LYS 4 2HB LYS 4 0.775 9.370 -0.378 28 HG2 LYS 4 1HG LYS 4 0.837 7.740 2.134 29 HG3 LYS 4 2HG LYS 4 1.768 9.232 1.979 30 HD2 LYS 4 1HD LYS 4 -0.656 10.041 1.074 31 HD3 LYS 4 2HD LYS 4 -1.133 8.828 2.264 32 HE2 LYS 4 1HE LYS 4 -1.011 10.688 3.595 33 HE3 LYS 4 2HE LYS 4 0.633 10.074 3.759 34 HZ1 LYS 4 3HZ LYS 4 -0.210 12.193 1.857 35 HZ2 LYS 4 1HZ LYS 4 1.370 11.636 2.097 36 HZ3 LYS 4 2HZ LYS 4 0.569 12.467 3.333 37 H ASN 5 H ASN 5 -0.866 8.194 -2.547 38 HA ASN 5 HA ASN 5 -3.594 8.342 -1.528 39 HB2 ASN 5 1HB ASN 5 -3.648 10.703 -2.724 40 HB3 ASN 5 2HB ASN 5 -3.150 10.548 -1.042 41 HD21 ASN 5 2HD2 ASN 5 -1.147 11.144 -0.466 42 HD22 ASN 5 1HD2 ASN 5 0.060 11.714 -1.562 43 H ARG 6 H ARG 6 -1.704 9.425 -4.358 44 HA ARG 6 HA ARG 6 -3.451 7.770 -6.048 45 HB2 ARG 6 1HB ARG 6 -2.502 10.554 -6.745 46 HB3 ARG 6 2HB ARG 6 -3.532 9.522 -7.729 47 HG2 ARG 6 1HG ARG 6 -5.384 9.969 -6.509 48 HG3 ARG 6 2HG ARG 6 -4.484 10.133 -4.999 49 HD2 ARG 6 1HD ARG 6 -5.281 12.293 -5.514 50 HD3 ARG 6 2HD ARG 6 -3.569 12.297 -5.936 51 HE ARG 6 HE ARG 6 -4.156 12.671 -8.110 52 HH11 ARG 6 1HH1 ARG 6 -6.925 11.440 -6.397 53 HH12 ARG 6 2HH1 ARG 6 -8.013 11.673 -7.725 54 HH21 ARG 6 1HH2 ARG 6 -5.578 12.982 -9.866 55 HH22 ARG 6 2HH2 ARG 6 -7.246 12.549 -9.698 56 H ARG 7 H ARG 7 -2.328 8.209 -8.481 57 HA ARG 7 HA ARG 7 0.448 7.294 -8.106 58 HB2 ARG 7 1HB ARG 7 -1.359 6.584 -10.418 59 HB3 ARG 7 2HB ARG 7 0.204 5.880 -10.024 60 HG2 ARG 7 1HG ARG 7 -1.017 5.240 -7.785 61 HG3 ARG 7 2HG ARG 7 -2.457 5.406 -8.792 62 HD2 ARG 7 1HD ARG 7 -0.472 3.927 -10.220 63 HD3 ARG 7 2HD ARG 7 -0.685 3.215 -8.622 64 HE ARG 7 HE ARG 7 -2.785 2.527 -9.239 65 HH11 ARG 7 1HH1 ARG 7 -1.600 4.846 -11.550 66 HH12 ARG 7 2HH1 ARG 7 -2.894 4.584 -12.672 67 HH21 ARG 7 1HH2 ARG 7 -4.493 2.174 -10.708 68 HH22 ARG 7 2HH2 ARG 7 -4.540 3.065 -12.192 69 H GLU 8 H GLU 8 1.850 7.666 -10.056 70 HA GLU 8 HA GLU 8 1.126 9.837 -11.805 71 HB2 GLU 8 1HB GLU 8 2.262 10.505 -9.342 72 HB3 GLU 8 2HB GLU 8 3.594 10.596 -10.486 73 HG2 GLU 8 1HG GLU 8 2.796 12.721 -10.626 74 HG3 GLU 8 2HG GLU 8 1.860 11.955 -11.908 75 H ARG 9 H ARG 9 3.710 7.803 -10.500 76 HA ARG 9 HA ARG 9 5.347 8.032 -12.843 77 HB2 ARG 9 1HB ARG 9 5.808 7.256 -10.260 78 HB3 ARG 9 2HB ARG 9 5.795 5.710 -11.098 79 HG2 ARG 9 1HG ARG 9 7.411 7.941 -12.224 80 HG3 ARG 9 2HG ARG 9 8.010 7.070 -10.811 81 HD2 ARG 9 1HD ARG 9 8.310 5.123 -11.967 82 HD3 ARG 9 2HD ARG 9 7.011 5.474 -13.106 83 HE ARG 9 HE ARG 9 8.934 7.325 -13.672 84 HH11 ARG 9 1HH1 ARG 9 8.840 3.850 -13.487 85 HH12 ARG 9 2HH1 ARG 9 10.071 3.623 -14.685 86 HH21 ARG 9 1HH2 ARG 9 10.555 7.039 -15.251 87 HH22 ARG 9 2HH2 ARG 9 11.047 5.437 -15.687 88 H THR 10 H THR 10 3.391 5.405 -11.441 89 HA THR 10 HA THR 10 2.369 4.525 -13.903 90 HB THR 10 HB THR 10 4.785 3.835 -14.195 91 HG1 THR 10 HG1 THR 10 3.683 2.588 -15.511 92 HG21 THR 10 3HG2 THR 10 5.761 2.194 -12.905 93 HG22 THR 10 1HG2 THR 10 4.213 1.539 -12.374 94 HG23 THR 10 2HG2 THR 10 4.813 3.049 -11.689 95 H THR 11 H THR 11 1.746 1.989 -13.594 96 HA THR 11 HA THR 11 -0.244 1.887 -11.702 97 HB THR 11 HB THR 11 1.140 -0.670 -12.384 98 HG1 THR 11 HG1 THR 11 0.334 -0.561 -14.491 99 HG21 THR 11 3HG2 THR 11 -1.767 0.105 -12.565 100 HG22 THR 11 1HG2 THR 11 -1.022 -0.522 -11.096 101 HG23 THR 11 2HG2 THR 11 -1.081 -1.519 -12.550 102 H TYR 12 H TYR 12 2.971 0.365 -11.435 103 HA TYR 12 HA TYR 12 3.118 0.943 -8.633 104 HB2 TYR 12 1HB TYR 12 3.436 -1.606 -8.134 105 HB3 TYR 12 2HB TYR 12 1.816 -0.919 -8.178 106 HD1 TYR 12 HD1 TYR 12 4.229 -3.049 -9.949 107 HD2 TYR 12 HD2 TYR 12 0.264 -1.505 -9.929 108 HE1 TYR 12 HE1 TYR 12 3.586 -4.697 -11.657 109 HE2 TYR 12 HE2 TYR 12 -0.390 -3.150 -11.637 110 HH TYR 12 HH TYR 12 0.239 -5.033 -12.716 111 H SER 13 H SER 13 5.140 1.683 -8.639 112 HA SER 13 HA SER 13 7.260 -0.102 -9.602 113 HB2 SER 13 1HB SER 13 6.873 1.575 -11.366 114 HB3 SER 13 2HB SER 13 7.123 2.866 -10.191 115 HG SER 13 HG SER 13 8.950 1.439 -11.571 116 H ARG 14 H ARG 14 9.471 0.799 -8.865 117 HA ARG 14 HA ARG 14 9.305 1.159 -6.010 118 HB2 ARG 14 1HB ARG 14 11.776 0.994 -6.092 119 HB3 ARG 14 2HB ARG 14 10.975 -0.353 -6.890 120 HG2 ARG 14 1HG ARG 14 11.622 1.883 -8.663 121 HG3 ARG 14 2HG ARG 14 13.022 1.092 -7.937 122 HD2 ARG 14 1HD ARG 14 11.677 -1.082 -8.659 123 HD3 ARG 14 2HD ARG 14 11.014 0.036 -9.850 124 HE ARG 14 HE ARG 14 13.878 0.105 -9.695 125 HH11 ARG 14 1HH1 ARG 14 11.136 -1.512 -11.103 126 HH12 ARG 14 2HH1 ARG 14 12.019 -2.093 -12.476 127 HH21 ARG 14 1HH2 ARG 14 15.051 -0.654 -11.497 128 HH22 ARG 14 2HH2 ARG 14 14.246 -1.605 -12.699 129 H GLN 15 H GLN 15 9.639 3.177 -8.745 130 HA GLN 15 HA GLN 15 11.204 5.271 -7.907 131 HB2 GLN 15 1HB GLN 15 8.759 5.122 -9.625 132 HB3 GLN 15 2HB GLN 15 9.426 6.696 -9.213 133 HG2 GLN 15 1HG GLN 15 10.164 5.626 -11.403 134 HG3 GLN 15 2HG GLN 15 11.413 6.290 -10.351 135 HE21 GLN 15 2HE2 GLN 15 12.782 4.887 -9.239 136 HE22 GLN 15 1HE2 GLN 15 12.959 3.230 -9.696 137 H GLN 16 H GLN 16 7.703 4.915 -7.340 138 HA GLN 16 HA GLN 16 7.326 7.212 -5.824 139 HB2 GLN 16 1HB GLN 16 5.881 4.613 -5.324 140 HB3 GLN 16 2HB GLN 16 5.279 6.248 -5.080 141 HG2 GLN 16 1HG GLN 16 5.465 6.579 -7.559 142 HG3 GLN 16 2HG GLN 16 5.802 4.853 -7.689 143 HE21 GLN 16 2HE2 GLN 16 3.516 6.736 -5.738 144 HE22 GLN 16 1HE2 GLN 16 2.104 5.891 -6.265 145 H LEU 17 H LEU 17 8.690 4.130 -4.936 146 HA LEU 17 HA LEU 17 8.678 4.790 -2.101 147 HB2 LEU 17 1HB LEU 17 9.639 2.389 -3.640 148 HB3 LEU 17 2HB LEU 17 9.846 2.570 -1.899 149 HG LEU 17 HG LEU 17 7.099 2.774 -3.036 150 HD11 LEU 17 1HD1 LEU 17 6.940 0.263 -2.691 151 HD12 LEU 17 2HD1 LEU 17 8.701 0.248 -2.770 152 HD13 LEU 17 3HD1 LEU 17 7.762 0.815 -4.150 153 HD21 LEU 17 3HD2 LEU 17 6.447 1.982 -0.911 154 HD22 LEU 17 1HD2 LEU 17 7.723 3.163 -0.613 155 HD23 LEU 17 2HD2 LEU 17 8.080 1.438 -0.527 156 H GLU 18 H GLU 18 10.631 5.342 -4.774 157 HA GLU 18 HA GLU 18 13.196 5.147 -3.537 158 HB2 GLU 18 1HB GLU 18 12.210 6.496 -6.045 159 HB3 GLU 18 2HB GLU 18 13.886 6.601 -5.524 160 HG2 GLU 18 1HG GLU 18 12.721 3.893 -5.677 161 HG3 GLU 18 2HG GLU 18 12.981 4.734 -7.205 162 H ILE 19 H ILE 19 10.895 7.771 -4.085 163 HA ILE 19 HA ILE 19 12.315 9.993 -3.427 164 HB ILE 19 HB ILE 19 9.554 9.428 -2.345 165 HG12 ILE 19 1HG1 ILE 19 9.409 10.960 -4.704 166 HG13 ILE 19 2HG1 ILE 19 10.497 9.624 -5.063 167 HG21 ILE 19 1HG2 ILE 19 10.401 12.108 -3.275 168 HG22 ILE 19 2HG2 ILE 19 9.328 11.652 -1.953 169 HG23 ILE 19 3HG2 ILE 19 11.076 11.533 -1.751 170 HD11 ILE 19 3HD1 ILE 19 7.945 9.003 -3.690 171 HD12 ILE 19 1HD1 ILE 19 7.891 9.436 -5.399 172 HD13 ILE 19 2HD1 ILE 19 8.860 8.062 -4.867 173 H LEU 20 H LEU 20 11.056 7.567 -1.195 174 HA LEU 20 HA LEU 20 12.169 9.011 1.085 175 HB2 LEU 20 1HB LEU 20 10.961 6.351 1.474 176 HB3 LEU 20 2HB LEU 20 10.762 7.835 2.404 177 HG LEU 20 HG LEU 20 8.643 7.348 1.505 178 HD11 LEU 20 1HD1 LEU 20 9.729 9.706 1.108 179 HD12 LEU 20 2HD1 LEU 20 8.142 9.314 0.448 180 HD13 LEU 20 3HD1 LEU 20 9.568 9.251 -0.588 181 HD21 LEU 20 3HD2 LEU 20 8.305 6.176 -0.355 182 HD22 LEU 20 1HD2 LEU 20 10.057 6.032 -0.493 183 HD23 LEU 20 2HD2 LEU 20 9.211 7.335 -1.329 184 H GLU 21 H GLU 21 12.249 5.631 -0.065 185 HA GLU 21 HA GLU 21 14.281 4.641 1.439 186 HB2 GLU 21 1HB GLU 21 12.893 3.730 -0.717 187 HB3 GLU 21 2HB GLU 21 14.498 3.911 -1.410 188 HG2 GLU 21 1HG GLU 21 13.797 2.295 1.030 189 HG3 GLU 21 2HG GLU 21 14.146 1.659 -0.576 190 H THR 22 H THR 22 14.540 6.913 -1.185 191 HA THR 22 HA THR 22 17.447 6.717 -1.247 192 HB THR 22 HB THR 22 15.662 8.596 -2.804 193 HG1 THR 22 HG1 THR 22 16.621 5.983 -3.376 194 HG21 THR 22 3HG2 THR 22 17.667 9.539 -3.221 195 HG22 THR 22 1HG2 THR 22 17.889 8.166 -4.305 196 HG23 THR 22 2HG2 THR 22 18.561 8.121 -2.675 197 H LEU 23 H LEU 23 15.008 9.265 -0.709 198 HA LEU 23 HA LEU 23 16.905 11.149 0.266 199 HB2 LEU 23 1HB LEU 23 14.661 11.658 -0.762 200 HB3 LEU 23 2HB LEU 23 13.937 11.151 0.763 201 HG LEU 23 HG LEU 23 15.953 13.375 0.621 202 HD11 LEU 23 1HD1 LEU 23 14.417 14.412 -0.677 203 HD12 LEU 23 2HD1 LEU 23 13.653 14.705 0.885 204 HD13 LEU 23 3HD1 LEU 23 13.095 13.379 -0.134 205 HD21 LEU 23 3HD2 LEU 23 14.131 13.842 2.636 206 HD22 LEU 23 1HD2 LEU 23 15.746 13.161 2.830 207 HD23 LEU 23 2HD2 LEU 23 14.351 12.092 2.680 208 H PHE 24 H PHE 24 14.200 9.589 1.994 209 HA PHE 24 HA PHE 24 14.826 10.251 4.555 210 HB2 PHE 24 1HB PHE 24 12.818 9.016 4.072 211 HB3 PHE 24 2HB PHE 24 13.746 7.624 3.525 212 HD1 PHE 24 HD2 PHE 24 14.836 6.150 5.115 213 HD2 PHE 24 HD1 PHE 24 12.524 9.479 6.415 214 HE1 PHE 24 HE2 PHE 24 14.774 5.214 7.389 215 HE2 PHE 24 HE1 PHE 24 12.459 8.549 8.692 216 HZ PHE 24 HZ PHE 24 13.583 6.413 9.181 217 H ASN 25 H ASN 25 16.333 7.749 2.596 218 HA ASN 25 HA ASN 25 17.929 6.721 4.754 219 HB2 ASN 25 1HB ASN 25 17.210 5.342 2.799 220 HB3 ASN 25 2HB ASN 25 18.280 6.298 1.779 221 HD21 ASN 25 2HD2 ASN 25 18.169 4.110 4.523 222 HD22 ASN 25 1HD2 ASN 25 19.784 3.520 4.354 223 H GLU 26 H GLU 26 18.490 8.811 1.945 224 HA GLU 26 HA GLU 26 21.227 9.152 2.152 225 HB2 GLU 26 1HB GLU 26 19.873 10.019 0.290 226 HB3 GLU 26 2HB GLU 26 19.175 11.227 1.359 227 HG2 GLU 26 1HG GLU 26 22.128 11.138 1.115 228 HG3 GLU 26 2HG GLU 26 21.202 11.767 -0.247 229 H THR 27 H THR 27 18.658 11.026 3.739 230 HA THR 27 HA THR 27 20.110 11.432 6.109 231 HB THR 27 HB THR 27 21.456 12.918 4.601 232 HG1 THR 27 HG1 THR 27 20.110 14.504 6.518 233 HG21 THR 27 3HG2 THR 27 19.160 13.668 3.472 234 HG22 THR 27 1HG2 THR 27 20.580 14.712 3.498 235 HG23 THR 27 2HG2 THR 27 19.291 14.948 4.678 236 H GLN 28 H GLN 28 19.067 13.191 7.492 237 HA GLN 28 HA GLN 28 16.174 13.091 7.024 238 HB2 GLN 28 1HB GLN 28 17.847 13.426 9.501 239 HB3 GLN 28 2HB GLN 28 16.134 13.825 9.494 240 HG2 GLN 28 1HG GLN 28 15.654 11.509 8.748 241 HG3 GLN 28 2HG GLN 28 17.368 11.140 8.932 242 HE21 GLN 28 2HE2 GLN 28 18.260 11.033 10.992 243 HE22 GLN 28 1HE2 GLN 28 17.284 10.891 12.410 244 H TYR 29 H TYR 29 17.518 14.939 5.486 245 HA TYR 29 HA TYR 29 16.905 17.505 6.796 246 HB2 TYR 29 1HB TYR 29 18.703 16.996 4.417 247 HB3 TYR 29 2HB TYR 29 18.433 18.549 5.200 248 HD1 TYR 29 HD1 TYR 29 18.506 17.560 8.069 249 HD2 TYR 29 HD2 TYR 29 21.039 16.794 4.738 250 HE1 TYR 29 HE1 TYR 29 20.377 17.116 9.602 251 HE2 TYR 29 HE2 TYR 29 22.917 16.346 6.262 252 HH TYR 29 HH TYR 29 23.287 17.271 9.046 253 HA PRO 30 HA PRO 30 13.602 16.908 3.622 254 HB2 PRO 30 1HB PRO 30 11.633 17.975 5.158 255 HB3 PRO 30 2HB PRO 30 12.107 16.275 5.249 256 HG2 PRO 30 1HG PRO 30 12.879 18.554 7.029 257 HG3 PRO 30 2HG PRO 30 12.413 16.900 7.468 258 HD2 PRO 30 1HD PRO 30 14.994 17.715 7.392 259 HD3 PRO 30 2HD PRO 30 14.505 16.053 7.002 260 H ASP 31 H ASP 31 14.991 18.621 2.607 261 HA ASP 31 HA ASP 31 13.658 21.236 2.837 262 HB2 ASP 31 1HB ASP 31 16.609 20.671 2.534 263 HB3 ASP 31 2HB ASP 31 15.897 22.249 2.213 264 H VAL 32 H VAL 32 14.294 22.624 0.820 265 HA VAL 32 HA VAL 32 13.109 21.515 -1.419 266 HB VAL 32 HB VAL 32 14.405 23.377 -2.682 267 HG11 VAL 32 1HG1 VAL 32 12.388 23.780 -0.501 268 HG12 VAL 32 2HG1 VAL 32 12.946 25.128 -1.494 269 HG13 VAL 32 3HG1 VAL 32 12.144 23.749 -2.247 270 HG21 VAL 32 3HG2 VAL 32 15.897 23.407 -0.387 271 HG22 VAL 32 1HG2 VAL 32 15.823 24.709 -1.574 272 HG23 VAL 32 2HG2 VAL 32 14.798 24.764 -0.140 273 H PHE 33 H PHE 33 16.531 21.673 -0.562 274 HA PHE 33 HA PHE 33 17.618 20.775 -2.971 275 HB2 PHE 33 1HB PHE 33 18.568 21.360 -0.385 276 HB3 PHE 33 2HB PHE 33 19.090 19.715 -0.731 277 HD1 PHE 33 HD2 PHE 33 19.120 23.168 -2.081 278 HD2 PHE 33 HD1 PHE 33 20.924 19.313 -2.109 279 HE1 PHE 33 HE2 PHE 33 20.969 24.047 -3.445 280 HE2 PHE 33 HE1 PHE 33 22.777 20.186 -3.473 281 HZ PHE 33 HZ PHE 33 22.800 22.556 -4.144 282 H ALA 34 H ALA 34 15.877 19.085 -0.522 283 HA ALA 34 HA ALA 34 16.773 16.465 -1.394 284 HB1 ALA 34 1HB ALA 34 15.969 17.346 1.012 285 HB2 ALA 34 2HB ALA 34 14.449 16.682 0.411 286 HB3 ALA 34 3HB ALA 34 15.880 15.656 0.516 287 H ARG 35 H ARG 35 13.543 17.945 -1.028 288 HA ARG 35 HA ARG 35 12.144 16.123 -2.572 289 HB2 ARG 35 1HB ARG 35 10.462 17.942 -2.871 290 HB3 ARG 35 2HB ARG 35 10.971 17.712 -1.203 291 HG2 ARG 35 1HG ARG 35 12.514 19.627 -1.451 292 HG3 ARG 35 2HG ARG 35 11.881 19.884 -3.078 293 HD2 ARG 35 1HD ARG 35 10.206 21.075 -2.241 294 HD3 ARG 35 2HD ARG 35 9.677 19.678 -1.304 295 HE ARG 35 HE ARG 35 11.656 20.663 0.218 296 HH11 ARG 35 1HH1 ARG 35 8.911 22.170 -1.304 297 HH12 ARG 35 2HH1 ARG 35 8.749 23.398 -0.093 298 HH21 ARG 35 1HH2 ARG 35 11.453 22.276 1.819 299 HH22 ARG 35 2HH2 ARG 35 10.196 23.458 1.682 300 H GLU 36 H GLU 36 13.724 19.135 -3.582 301 HA GLU 36 HA GLU 36 12.927 19.045 -6.278 302 HB2 GLU 36 1HB GLU 36 13.849 21.057 -5.186 303 HB3 GLU 36 2HB GLU 36 15.422 20.276 -5.094 304 HG2 GLU 36 1HG GLU 36 15.807 20.471 -7.350 305 HG3 GLU 36 2HG GLU 36 14.091 20.567 -7.743 306 H ARG 37 H ARG 37 15.396 17.363 -4.528 307 HA ARG 37 HA ARG 37 16.934 16.606 -6.830 308 HB2 ARG 37 1HB ARG 37 17.955 16.753 -4.601 309 HB3 ARG 37 2HB ARG 37 16.907 15.461 -4.032 310 HG2 ARG 37 1HG ARG 37 18.016 14.173 -6.064 311 HG3 ARG 37 2HG ARG 37 19.307 15.339 -5.763 312 HD2 ARG 37 1HD ARG 37 19.038 14.621 -3.288 313 HD3 ARG 37 2HD ARG 37 18.215 13.213 -3.959 314 HE ARG 37 HE ARG 37 20.237 12.420 -4.703 315 HH11 ARG 37 1HH1 ARG 37 20.576 15.748 -3.739 316 HH12 ARG 37 2HH1 ARG 37 22.305 15.741 -3.854 317 HH21 ARG 37 1HH2 ARG 37 22.512 12.398 -4.858 318 HH22 ARG 37 2HH2 ARG 37 23.405 13.835 -4.492 319 H VAL 38 H VAL 38 15.019 14.649 -4.538 320 HA VAL 38 HA VAL 38 14.943 12.321 -6.046 321 HB VAL 38 HB VAL 38 12.760 11.862 -4.790 322 HG11 VAL 38 1HG1 VAL 38 14.901 11.023 -4.027 323 HG12 VAL 38 2HG1 VAL 38 15.259 12.569 -3.254 324 HG13 VAL 38 3HG1 VAL 38 13.942 11.563 -2.650 325 HG21 VAL 38 3HG2 VAL 38 12.460 14.446 -4.515 326 HG22 VAL 38 1HG2 VAL 38 11.950 13.350 -3.231 327 HG23 VAL 38 2HG2 VAL 38 13.482 14.213 -3.097 328 H ALA 39 H ALA 39 13.194 15.272 -6.454 329 HA ALA 39 HA ALA 39 10.936 14.422 -7.838 330 HB1 ALA 39 1HB ALA 39 10.658 16.622 -7.598 331 HB2 ALA 39 2HB ALA 39 12.395 16.916 -7.503 332 HB3 ALA 39 3HB ALA 39 11.607 16.788 -9.075 333 H ASP 40 H ASP 40 14.253 14.696 -8.882 334 HA ASP 40 HA ASP 40 13.592 14.344 -11.681 335 HB2 ASP 40 1HB ASP 40 15.583 15.687 -10.701 336 HB3 ASP 40 2HB ASP 40 16.360 14.115 -10.529 337 H GLN 41 H GLN 41 14.135 12.364 -8.976 338 HA GLN 41 HA GLN 41 15.213 10.101 -10.369 339 HB2 GLN 41 1HB GLN 41 13.934 10.326 -7.639 340 HB3 GLN 41 2HB GLN 41 14.738 8.887 -8.254 341 HG2 GLN 41 1HG GLN 41 16.100 11.550 -7.964 342 HG3 GLN 41 2HG GLN 41 16.100 10.309 -6.711 343 HE21 GLN 41 2HE2 GLN 41 17.782 11.547 -9.256 344 HE22 GLN 41 1HE2 GLN 41 18.788 10.191 -9.621 345 H ILE 42 H ILE 42 12.031 10.847 -8.952 346 HA ILE 42 HA ILE 42 10.862 8.578 -10.362 347 HB ILE 42 HB ILE 42 8.952 8.828 -9.028 348 HG12 ILE 42 1HG1 ILE 42 9.920 11.571 -8.198 349 HG13 ILE 42 2HG1 ILE 42 8.703 11.280 -9.436 350 HG21 ILE 42 1HG2 ILE 42 11.126 9.784 -7.184 351 HG22 ILE 42 2HG2 ILE 42 9.765 8.729 -6.811 352 HG23 ILE 42 3HG2 ILE 42 11.075 8.147 -7.838 353 HD11 ILE 42 3HD1 ILE 42 7.533 9.948 -7.498 354 HD12 ILE 42 1HD1 ILE 42 8.518 11.007 -6.488 355 HD13 ILE 42 2HD1 ILE 42 7.374 11.699 -7.639 356 H ARG 43 H ARG 43 11.513 11.753 -11.030 357 HA ARG 43 HA ARG 43 10.891 13.142 -12.724 358 HB2 ARG 43 1HB ARG 43 10.732 10.892 -13.950 359 HB3 ARG 43 2HB ARG 43 8.996 11.015 -13.697 360 HG2 ARG 43 1HG ARG 43 9.591 11.806 -15.902 361 HG3 ARG 43 2HG ARG 43 8.973 13.136 -14.919 362 HD2 ARG 43 1HD ARG 43 11.181 13.970 -14.539 363 HD3 ARG 43 2HD ARG 43 11.904 12.543 -15.280 364 HE ARG 43 HE ARG 43 10.850 14.849 -16.628 365 HH11 ARG 43 1HH1 ARG 43 11.576 11.456 -16.912 366 HH12 ARG 43 2HH1 ARG 43 11.723 11.498 -18.637 367 HH21 ARG 43 1HH2 ARG 43 11.040 14.917 -18.900 368 HH22 ARG 43 2HH2 ARG 43 11.418 13.468 -19.767 369 H LEU 44 H LEU 44 9.783 13.856 -10.502 370 HA LEU 44 HA LEU 44 7.038 14.569 -11.237 371 HB2 LEU 44 1HB LEU 44 6.991 12.660 -9.648 372 HB3 LEU 44 2HB LEU 44 7.845 13.664 -8.478 373 HG LEU 44 HG LEU 44 5.936 15.182 -8.374 374 HD11 LEU 44 1HD1 LEU 44 5.075 14.985 -10.606 375 HD12 LEU 44 2HD1 LEU 44 3.812 14.521 -9.467 376 HD13 LEU 44 3HD1 LEU 44 4.696 13.281 -10.356 377 HD21 LEU 44 3HD2 LEU 44 4.388 13.701 -7.232 378 HD22 LEU 44 1HD2 LEU 44 6.052 13.263 -6.847 379 HD23 LEU 44 2HD2 LEU 44 5.131 12.298 -8.002 380 H GLN 45 H GLN 45 6.213 16.425 -9.966 381 HA GLN 45 HA GLN 45 7.956 18.591 -10.044 382 HB2 GLN 45 1HB GLN 45 5.213 18.123 -9.338 383 HB3 GLN 45 2HB GLN 45 5.940 19.209 -8.161 384 HG2 GLN 45 1HG GLN 45 6.393 20.835 -9.749 385 HG3 GLN 45 2HG GLN 45 6.281 19.696 -11.090 386 HE21 GLN 45 2HE2 GLN 45 4.910 22.295 -10.402 387 HE22 GLN 45 1HE2 GLN 45 3.228 21.952 -10.595 388 H GLU 46 H GLU 46 9.008 19.799 -8.455 389 HA GLU 46 HA GLU 46 10.230 18.310 -6.390 390 HB2 GLU 46 1HB GLU 46 11.170 20.509 -5.679 391 HB3 GLU 46 2HB GLU 46 11.416 20.148 -7.382 392 HG2 GLU 46 1HG GLU 46 9.113 21.513 -7.538 393 HG3 GLU 46 2HG GLU 46 9.812 22.260 -6.103 394 H SER 47 H SER 47 7.738 20.839 -6.332 395 HA SER 47 HA SER 47 7.411 20.690 -3.486 396 HB2 SER 47 1HB SER 47 6.935 22.795 -4.522 397 HB3 SER 47 2HB SER 47 5.815 22.050 -5.663 398 HG SER 47 HG SER 47 4.840 23.142 -3.811 399 H ARG 48 H ARG 48 6.157 18.995 -6.192 400 HA ARG 48 HA ARG 48 3.756 18.085 -4.878 401 HB2 ARG 48 1HB ARG 48 3.810 18.359 -7.313 402 HB3 ARG 48 2HB ARG 48 5.082 17.150 -7.428 403 HG2 ARG 48 1HG ARG 48 2.900 16.240 -8.035 404 HG3 ARG 48 2HG ARG 48 3.569 15.441 -6.611 405 HD2 ARG 48 1HD ARG 48 1.865 16.097 -5.325 406 HD3 ARG 48 2HD ARG 48 1.946 17.751 -5.929 407 HE ARG 48 HE ARG 48 0.109 15.742 -6.728 408 HH11 ARG 48 1HH1 ARG 48 1.954 18.438 -7.933 409 HH12 ARG 48 2HH1 ARG 48 0.847 18.788 -9.219 410 HH21 ARG 48 1HH2 ARG 48 -1.356 16.194 -8.417 411 HH22 ARG 48 2HH2 ARG 48 -1.036 17.512 -9.493 412 H ILE 49 H ILE 49 6.906 16.701 -5.738 413 HA ILE 49 HA ILE 49 6.496 14.091 -4.895 414 HB ILE 49 HB ILE 49 8.594 15.320 -5.979 415 HG12 ILE 49 1HG1 ILE 49 8.835 12.866 -4.225 416 HG13 ILE 49 2HG1 ILE 49 8.176 12.879 -5.857 417 HG21 ILE 49 1HG2 ILE 49 10.372 15.747 -4.540 418 HG22 ILE 49 2HG2 ILE 49 8.986 16.423 -3.687 419 HG23 ILE 49 3HG2 ILE 49 9.635 14.855 -3.209 420 HD11 ILE 49 3HD1 ILE 49 10.751 12.329 -5.222 421 HD12 ILE 49 1HD1 ILE 49 10.200 12.897 -6.798 422 HD13 ILE 49 2HD1 ILE 49 10.848 14.043 -5.624 423 H GLN 50 H GLN 50 6.815 16.969 -3.031 424 HA GLN 50 HA GLN 50 7.778 15.969 -0.611 425 HB2 GLN 50 1HB GLN 50 6.806 18.407 -1.538 426 HB3 GLN 50 2HB GLN 50 5.702 17.969 -0.241 427 HG2 GLN 50 1HG GLN 50 7.844 17.518 1.122 428 HG3 GLN 50 2HG GLN 50 8.643 18.481 -0.119 429 HE21 GLN 50 2HE2 GLN 50 5.515 18.735 1.536 430 HE22 GLN 50 1HE2 GLN 50 5.743 20.357 2.084 431 H VAL 51 H VAL 51 4.471 16.117 -1.868 432 HA VAL 51 HA VAL 51 3.168 15.165 0.434 433 HB VAL 51 HB VAL 51 1.253 14.824 -0.906 434 HG11 VAL 51 1HG1 VAL 51 0.958 16.942 -1.619 435 HG12 VAL 51 2HG1 VAL 51 2.552 17.189 -0.903 436 HG13 VAL 51 3HG1 VAL 51 2.397 16.913 -2.638 437 HG21 VAL 51 3HG2 VAL 51 1.694 14.991 -3.526 438 HG22 VAL 51 1HG2 VAL 51 3.233 14.279 -3.044 439 HG23 VAL 51 2HG2 VAL 51 1.721 13.454 -2.662 440 H TRP 52 H TRP 52 4.811 13.523 -2.183 441 HA TRP 52 HA TRP 52 3.863 10.911 -1.366 442 HB2 TRP 52 1HB TRP 52 5.528 11.987 -3.586 443 HB3 TRP 52 2HB TRP 52 5.788 10.308 -3.121 444 HD1 TRP 52 HD1 TRP 52 2.234 11.378 -2.696 445 HE1 TRP 52 HE1 TRP 52 0.792 10.406 -4.593 446 HE3 TRP 52 HE3 TRP 52 5.960 9.721 -5.779 447 HZ2 TRP 52 HZ2 TRP 52 1.182 9.107 -7.069 448 HZ3 TRP 52 HZ3 TRP 52 5.341 8.624 -7.892 449 HH2 TRP 52 HH2 TRP 52 3.001 8.324 -8.522 450 H PHE 53 H PHE 53 6.459 13.009 -0.619 451 HA PHE 53 HA PHE 53 8.501 11.226 0.028 452 HB2 PHE 53 1HB PHE 53 8.864 13.634 -0.041 453 HB3 PHE 53 2HB PHE 53 7.786 13.860 1.332 454 HD1 PHE 53 HD2 PHE 53 10.602 11.504 0.670 455 HD2 PHE 53 HD1 PHE 53 8.984 14.556 3.158 456 HE1 PHE 53 HE2 PHE 53 12.511 11.262 2.203 457 HE2 PHE 53 HE1 PHE 53 10.891 14.319 4.694 458 HZ PHE 53 HZ PHE 53 12.657 12.669 4.219 459 H LYS 54 H LYS 54 5.482 11.761 1.545 460 HA LYS 54 HA LYS 54 6.311 10.651 4.100 461 HB2 LYS 54 1HB LYS 54 4.391 12.458 3.443 462 HB3 LYS 54 2HB LYS 54 3.432 10.987 3.540 463 HG2 LYS 54 1HG LYS 54 4.976 10.863 5.809 464 HG3 LYS 54 2HG LYS 54 4.622 12.585 5.656 465 HD2 LYS 54 1HD LYS 54 2.362 10.727 5.225 466 HD3 LYS 54 2HD LYS 54 2.981 10.845 6.874 467 HE2 LYS 54 1HE LYS 54 2.482 13.360 5.363 468 HE3 LYS 54 2HE LYS 54 1.093 12.464 5.976 469 HZ1 LYS 54 3HZ LYS 54 2.847 14.156 7.381 470 HZ2 LYS 54 1HZ LYS 54 2.964 12.598 8.030 471 HZ3 LYS 54 2HZ LYS 54 1.461 13.369 7.947 472 H ASN 55 H ASN 55 5.128 9.546 1.107 473 HA ASN 55 HA ASN 55 3.485 7.457 1.541 474 HB2 ASN 55 1HB ASN 55 4.293 7.934 -0.678 475 HB3 ASN 55 2HB ASN 55 5.939 7.499 -0.224 476 HD21 ASN 55 2HD2 ASN 55 6.537 5.380 -0.165 477 HD22 ASN 55 1HD2 ASN 55 5.527 4.091 -0.718 478 H ARG 56 H ARG 56 6.998 6.868 1.433 479 HA ARG 56 HA ARG 56 6.661 4.508 3.080 480 HB2 ARG 56 1HB ARG 56 8.272 4.904 1.022 481 HB3 ARG 56 2HB ARG 56 9.344 5.534 2.266 482 HG2 ARG 56 1HG ARG 56 8.277 3.051 3.160 483 HG3 ARG 56 2HG ARG 56 8.905 2.849 1.523 484 HD2 ARG 56 1HD ARG 56 11.057 3.341 2.142 485 HD3 ARG 56 2HD ARG 56 10.550 4.344 3.501 486 HE ARG 56 HE ARG 56 10.661 2.496 4.830 487 HH11 ARG 56 1HH1 ARG 56 10.401 1.465 1.515 488 HH12 ARG 56 2HH1 ARG 56 10.607 -0.215 1.885 489 HH21 ARG 56 1HH2 ARG 56 10.934 0.287 5.330 490 HH22 ARG 56 2HH2 ARG 56 10.909 -0.884 4.055 491 H ARG 57 H ARG 57 8.190 7.686 3.302 492 HA ARG 57 HA ARG 57 9.598 7.457 5.646 493 HB2 ARG 57 1HB ARG 57 9.675 9.484 4.342 494 HB3 ARG 57 2HB ARG 57 7.969 9.792 4.639 495 HG2 ARG 57 1HG ARG 57 9.682 9.549 7.027 496 HG3 ARG 57 2HG ARG 57 9.947 10.965 6.008 497 HD2 ARG 57 1HD ARG 57 7.363 11.194 6.100 498 HD3 ARG 57 2HD ARG 57 7.494 10.143 7.510 499 HE ARG 57 HE ARG 57 9.275 12.377 7.636 500 HH11 ARG 57 1HH1 ARG 57 5.994 11.345 8.180 501 HH12 ARG 57 2HH1 ARG 57 5.668 12.570 9.362 502 HH21 ARG 57 1HH2 ARG 57 8.857 13.993 9.190 503 HH22 ARG 57 2HH2 ARG 57 7.296 14.076 9.935 504 H ALA 58 H ALA 58 6.142 7.641 5.205 505 HA ALA 58 HA ALA 58 5.643 7.977 8.049 506 HB1 ALA 58 1HB ALA 58 3.687 7.554 5.792 507 HB2 ALA 58 2HB ALA 58 3.295 8.032 7.444 508 HB3 ALA 58 3HB ALA 58 4.216 9.121 6.407 509 H LYS 59 H LYS 59 5.571 5.463 5.610 510 HA LYS 59 HA LYS 59 4.102 3.513 6.956 511 HB2 LYS 59 1HB LYS 59 5.901 3.627 4.685 512 HB3 LYS 59 2HB LYS 59 6.109 2.131 5.587 513 HG2 LYS 59 1HG LYS 59 4.471 1.953 3.750 514 HG3 LYS 59 2HG LYS 59 3.784 1.589 5.335 515 HD2 LYS 59 1HD LYS 59 2.351 3.308 5.227 516 HD3 LYS 59 2HD LYS 59 3.581 4.408 4.601 517 HE2 LYS 59 1HE LYS 59 2.327 4.326 2.731 518 HE3 LYS 59 2HE LYS 59 3.211 2.827 2.450 519 HZ1 LYS 59 3HZ LYS 59 1.298 1.744 2.493 520 HZ2 LYS 59 1HZ LYS 59 0.453 3.179 2.794 521 HZ3 LYS 59 2HZ LYS 59 1.022 2.246 4.085 522 H TYR 60 H TYR 60 7.240 4.753 7.592 523 HA TYR 60 HA TYR 60 8.557 2.653 8.795 524 HB2 TYR 60 1HB TYR 60 9.988 4.221 9.675 525 HB3 TYR 60 2HB TYR 60 9.197 5.199 8.444 526 HD1 TYR 60 HD1 TYR 60 7.013 6.447 9.282 527 HD2 TYR 60 HD2 TYR 60 10.142 5.072 11.816 528 HE1 TYR 60 HE1 TYR 60 6.318 8.060 11.005 529 HE2 TYR 60 HE2 TYR 60 9.455 6.680 13.546 530 HH TYR 60 HH TYR 60 6.509 8.316 13.471 531 H ARG 61 H ARG 61 5.831 4.477 9.952 532 HA ARG 61 HA ARG 61 6.037 3.573 12.672 533 HB2 ARG 61 1HB ARG 61 3.951 4.703 13.032 534 HB3 ARG 61 2HB ARG 61 4.947 5.720 11.998 535 HG2 ARG 61 1HG ARG 61 3.598 4.369 10.119 536 HG3 ARG 61 2HG ARG 61 2.409 4.336 11.422 537 HD2 ARG 61 1HD ARG 61 3.783 6.873 10.592 538 HD3 ARG 61 2HD ARG 61 2.326 6.299 9.782 539 HE ARG 61 HE ARG 61 2.483 7.554 12.337 540 HH11 ARG 61 1HH1 ARG 61 0.709 5.209 10.473 541 HH12 ARG 61 2HH1 ARG 61 -0.757 5.409 11.374 542 HH21 ARG 61 1HH2 ARG 61 0.558 7.826 13.530 543 HH22 ARG 61 2HH2 ARG 61 -0.842 6.898 13.112 544 H LEU 62 H LEU 62 4.322 2.576 9.776 545 HA LEU 62 HA LEU 62 2.570 0.735 11.024 546 HB2 LEU 62 1HB LEU 62 2.290 1.685 8.739 547 HB3 LEU 62 2HB LEU 62 3.622 0.665 8.201 548 HG LEU 62 HG LEU 62 1.303 -0.665 9.498 549 HD11 LEU 62 1HD1 LEU 62 0.813 -0.510 6.699 550 HD12 LEU 62 2HD1 LEU 62 0.939 1.127 7.342 551 HD13 LEU 62 3HD1 LEU 62 -0.222 -0.005 8.034 552 HD21 LEU 62 3HD2 LEU 62 3.248 -1.293 7.293 553 HD22 LEU 62 1HD2 LEU 62 1.829 -2.288 7.622 554 HD23 LEU 62 2HD2 LEU 62 3.070 -2.086 8.859 555 H GLN 63 H GLN 63 5.582 0.208 9.188 556 HA GLN 63 HA GLN 63 5.761 -2.546 9.672 557 HB2 GLN 63 1HB GLN 63 8.190 -2.250 9.119 558 HB3 GLN 63 2HB GLN 63 7.082 -1.581 7.928 559 HG2 GLN 63 1HG GLN 63 7.613 0.593 8.449 560 HG3 GLN 63 2HG GLN 63 8.157 0.182 10.075 561 HE21 GLN 63 2HE2 GLN 63 10.233 -0.596 10.381 562 HE22 GLN 63 1HE2 GLN 63 11.455 -0.477 9.166 563 H GLU 64 H GLU 64 6.351 0.135 11.721 564 HA GLU 64 HA GLU 64 8.303 -0.759 13.452 565 HB2 GLU 64 1HB GLU 64 6.806 1.431 13.402 566 HB3 GLU 64 2HB GLU 64 5.890 0.550 14.617 567 HG2 GLU 64 1HG GLU 64 8.853 0.941 14.842 568 HG3 GLU 64 2HG GLU 64 7.701 2.141 15.426 569 H LYS 65 H LYS 65 4.985 -1.794 13.154 570 HA LYS 65 HA LYS 65 5.421 -3.704 15.357 571 HB2 LYS 65 1HB LYS 65 2.913 -3.746 15.550 572 HB3 LYS 65 2HB LYS 65 3.667 -2.225 16.010 573 HG2 LYS 65 1HG LYS 65 2.730 -2.526 13.209 574 HG3 LYS 65 2HG LYS 65 1.523 -2.310 14.479 575 HD2 LYS 65 1HD LYS 65 3.182 -0.364 15.195 576 HD3 LYS 65 2HD LYS 65 3.599 -0.432 13.481 577 HE2 LYS 65 1HE LYS 65 0.879 0.045 14.689 578 HE3 LYS 65 2HE LYS 65 1.860 1.192 13.777 579 HZ1 LYS 65 3HZ LYS 65 0.613 0.506 12.067 580 HZ2 LYS 65 1HZ LYS 65 0.142 -0.930 12.828 581 HZ3 LYS 65 2HZ LYS 65 1.637 -0.840 12.043 582 H GLN 66 H GLN 66 4.350 -3.220 12.074 583 HA GLN 66 HA GLN 66 3.284 -5.820 11.662 584 HB2 GLN 66 1HB GLN 66 4.031 -3.513 9.950 585 HB3 GLN 66 2HB GLN 66 3.942 -5.085 9.168 586 HG2 GLN 66 1HG GLN 66 1.743 -3.705 10.688 587 HG3 GLN 66 2HG GLN 66 1.841 -3.939 8.943 588 HE21 GLN 66 2HE2 GLN 66 0.268 -4.971 11.533 589 HE22 GLN 66 1HE2 GLN 66 -0.039 -6.615 11.099 590 H LYS 67 H LYS 67 6.350 -4.357 10.571 591 HA LYS 67 HA LYS 67 7.439 -6.864 9.747 592 HB2 LYS 67 1HB LYS 67 8.499 -4.076 10.022 593 HB3 LYS 67 2HB LYS 67 9.621 -5.409 9.776 594 HG2 LYS 67 1HG LYS 67 7.306 -4.779 7.958 595 HG3 LYS 67 2HG LYS 67 8.967 -4.245 7.690 596 HD2 LYS 67 1HD LYS 67 9.685 -6.611 7.670 597 HD3 LYS 67 2HD LYS 67 7.997 -7.100 7.842 598 HE2 LYS 67 1HE LYS 67 7.526 -5.814 5.731 599 HE3 LYS 67 2HE LYS 67 9.269 -5.633 5.538 600 HZ1 LYS 67 3HZ LYS 67 8.171 -7.553 4.336 601 HZ2 LYS 67 1HZ LYS 67 8.000 -8.286 5.851 602 HZ3 LYS 67 2HZ LYS 67 9.541 -7.924 5.257 603 HA PRO 68 HA PRO 68 9.263 -8.385 13.437 604 HB2 PRO 68 1HB PRO 68 11.623 -9.385 12.542 605 HB3 PRO 68 2HB PRO 68 10.065 -10.146 12.198 606 HG2 PRO 68 1HG PRO 68 11.717 -8.347 10.467 607 HG3 PRO 68 2HG PRO 68 10.848 -9.830 10.031 608 HD2 PRO 68 1HD PRO 68 9.865 -7.361 9.514 609 HD3 PRO 68 2HD PRO 68 8.819 -8.747 9.881 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.797 -0.755 0.250 2 HA2 GLY 1 1HA GLY 1 3.960 -1.164 -1.861 3 HA3 GLY 1 2HA GLY 1 2.391 -1.120 -2.653 4 HA PRO 2 HA PRO 2 4.516 3.068 -2.876 5 HB2 PRO 2 1HB PRO 2 4.640 3.196 -5.585 6 HB3 PRO 2 2HB PRO 2 5.919 2.479 -4.597 7 HG2 PRO 2 1HG PRO 2 3.713 1.134 -6.109 8 HG3 PRO 2 2HG PRO 2 5.423 0.681 -5.987 9 HD2 PRO 2 1HD PRO 2 3.487 -0.535 -4.536 10 HD3 PRO 2 2HD PRO 2 5.142 -0.318 -3.929 11 H ARG 3 H ARG 3 2.347 3.612 -2.054 12 HA ARG 3 HA ARG 3 0.912 5.205 -3.924 13 HB2 ARG 3 1HB ARG 3 -0.076 2.498 -3.321 14 HB3 ARG 3 2HB ARG 3 -1.270 3.774 -3.128 15 HG2 ARG 3 1HG ARG 3 -0.445 4.519 -5.485 16 HG3 ARG 3 2HG ARG 3 0.142 2.857 -5.587 17 HD2 ARG 3 1HD ARG 3 -2.188 2.135 -4.919 18 HD3 ARG 3 2HD ARG 3 -2.684 3.806 -5.180 19 HE ARG 3 HE ARG 3 -1.390 3.041 -7.486 20 HH11 ARG 3 1HH1 ARG 3 -4.163 1.976 -5.670 21 HH12 ARG 3 2HH1 ARG 3 -5.008 1.381 -7.061 22 HH21 ARG 3 1HH2 ARG 3 -2.493 2.262 -9.324 23 HH22 ARG 3 2HH2 ARG 3 -4.057 1.543 -9.139 24 H LYS 4 H LYS 4 0.771 6.946 -2.664 25 HA LYS 4 HA LYS 4 0.019 6.620 0.153 26 HB2 LYS 4 1HB LYS 4 2.058 7.900 -0.267 27 HB3 LYS 4 2HB LYS 4 1.172 9.001 -1.314 28 HG2 LYS 4 1HG LYS 4 0.099 8.719 1.408 29 HG3 LYS 4 2HG LYS 4 1.694 9.466 1.290 30 HD2 LYS 4 1HD LYS 4 0.598 10.896 -0.583 31 HD3 LYS 4 2HD LYS 4 -0.920 10.389 0.160 32 HE2 LYS 4 1HE LYS 4 0.126 11.190 2.364 33 HE3 LYS 4 2HE LYS 4 1.306 12.015 1.347 34 HZ1 LYS 4 3HZ LYS 4 -1.634 12.425 1.339 35 HZ2 LYS 4 1HZ LYS 4 -0.569 13.137 0.234 36 HZ3 LYS 4 2HZ LYS 4 -0.459 13.517 1.878 37 H ASN 5 H ASN 5 -1.131 7.790 -2.879 38 HA ASN 5 HA ASN 5 -3.627 8.619 -1.583 39 HB2 ASN 5 1HB ASN 5 -2.323 10.661 -2.078 40 HB3 ASN 5 2HB ASN 5 -2.251 10.189 -3.773 41 HD21 ASN 5 2HD2 ASN 5 -3.254 12.250 -4.169 42 HD22 ASN 5 1HD2 ASN 5 -4.968 12.409 -4.016 43 H ARG 6 H ARG 6 -2.428 8.663 -4.933 44 HA ARG 6 HA ARG 6 -4.410 6.604 -5.612 45 HB2 ARG 6 1HB ARG 6 -3.919 9.002 -7.369 46 HB3 ARG 6 2HB ARG 6 -5.205 7.810 -7.493 47 HG2 ARG 6 1HG ARG 6 -4.896 9.826 -5.278 48 HG3 ARG 6 2HG ARG 6 -6.018 9.945 -6.635 49 HD2 ARG 6 1HD ARG 6 -6.273 7.404 -5.289 50 HD3 ARG 6 2HD ARG 6 -6.479 8.743 -4.160 51 HE ARG 6 HE ARG 6 -8.305 7.921 -6.176 52 HH11 ARG 6 1HH1 ARG 6 -7.078 10.725 -4.518 53 HH12 ARG 6 2HH1 ARG 6 -8.518 11.658 -4.758 54 HH21 ARG 6 1HH2 ARG 6 -10.207 9.138 -6.497 55 HH22 ARG 6 2HH2 ARG 6 -10.298 10.754 -5.882 56 H ARG 7 H ARG 7 -2.025 8.590 -7.369 57 HA ARG 7 HA ARG 7 -0.190 6.470 -7.759 58 HB2 ARG 7 1HB ARG 7 -1.895 5.577 -9.235 59 HB3 ARG 7 2HB ARG 7 -2.023 7.118 -10.072 60 HG2 ARG 7 1HG ARG 7 0.654 5.878 -10.014 61 HG3 ARG 7 2HG ARG 7 -0.577 5.063 -10.981 62 HD2 ARG 7 1HD ARG 7 -0.875 7.755 -11.596 63 HD3 ARG 7 2HD ARG 7 0.869 7.517 -11.503 64 HE ARG 7 HE ARG 7 -0.371 5.470 -13.034 65 HH11 ARG 7 1HH1 ARG 7 0.653 8.795 -13.160 66 HH12 ARG 7 2HH1 ARG 7 0.877 8.797 -14.878 67 HH21 ARG 7 1HH2 ARG 7 -0.079 5.460 -15.296 68 HH22 ARG 7 2HH2 ARG 7 0.460 6.900 -16.092 69 H GLU 8 H GLU 8 1.679 7.120 -8.907 70 HA GLU 8 HA GLU 8 1.766 9.986 -9.583 71 HB2 GLU 8 1HB GLU 8 2.907 9.787 -7.507 72 HB3 GLU 8 2HB GLU 8 3.753 8.337 -8.029 73 HG2 GLU 8 1HG GLU 8 5.057 10.530 -7.942 74 HG3 GLU 8 2HG GLU 8 5.220 9.524 -9.380 75 H ARG 9 H ARG 9 4.193 7.405 -9.779 76 HA ARG 9 HA ARG 9 4.831 8.166 -12.486 77 HB2 ARG 9 1HB ARG 9 6.386 7.263 -10.537 78 HB3 ARG 9 2HB ARG 9 5.953 5.705 -11.228 79 HG2 ARG 9 1HG ARG 9 6.956 7.874 -13.011 80 HG3 ARG 9 2HG ARG 9 8.092 6.948 -12.028 81 HD2 ARG 9 1HD ARG 9 8.065 5.371 -13.592 82 HD3 ARG 9 2HD ARG 9 6.377 5.063 -13.185 83 HE ARG 9 HE ARG 9 5.778 6.048 -15.153 84 HH11 ARG 9 1HH1 ARG 9 9.015 7.043 -14.348 85 HH12 ARG 9 2HH1 ARG 9 9.268 7.883 -15.842 86 HH21 ARG 9 1HH2 ARG 9 6.099 7.149 -17.125 87 HH22 ARG 9 2HH2 ARG 9 7.609 7.943 -17.420 88 H THR 10 H THR 10 3.300 5.437 -10.858 89 HA THR 10 HA THR 10 1.709 4.751 -13.072 90 HB THR 10 HB THR 10 3.959 3.953 -13.909 91 HG1 THR 10 HG1 THR 10 3.041 1.945 -14.626 92 HG21 THR 10 3HG2 THR 10 4.337 2.968 -11.434 93 HG22 THR 10 1HG2 THR 10 5.153 2.333 -12.861 94 HG23 THR 10 2HG2 THR 10 3.714 1.527 -12.236 95 H THR 11 H THR 11 1.062 2.202 -12.730 96 HA THR 11 HA THR 11 -0.522 2.098 -10.493 97 HB THR 11 HB THR 11 0.679 -0.417 -11.627 98 HG1 THR 11 HG1 THR 11 -0.206 0.007 -13.498 99 HG21 THR 11 3HG2 THR 11 -0.957 -0.448 -9.699 100 HG22 THR 11 1HG2 THR 11 -1.425 -1.393 -11.112 101 HG23 THR 11 2HG2 THR 11 -2.162 0.183 -10.821 102 H TYR 12 H TYR 12 2.621 0.452 -10.878 103 HA TYR 12 HA TYR 12 3.221 0.894 -8.081 104 HB2 TYR 12 1HB TYR 12 3.666 -1.527 -7.659 105 HB3 TYR 12 2HB TYR 12 1.961 -1.150 -7.884 106 HD1 TYR 12 HD2 TYR 12 0.893 -1.661 -10.115 107 HD2 TYR 12 HD1 TYR 12 4.759 -3.086 -9.050 108 HE1 TYR 12 HE2 TYR 12 0.745 -3.366 -11.881 109 HE2 TYR 12 HE1 TYR 12 4.621 -4.794 -10.814 110 HH TYR 12 HH TYR 12 2.111 -4.782 -13.192 111 H SER 13 H SER 13 5.171 1.777 -8.284 112 HA SER 13 HA SER 13 7.220 0.289 -9.766 113 HB2 SER 13 1HB SER 13 6.517 2.076 -11.264 114 HB3 SER 13 2HB SER 13 6.732 3.270 -9.984 115 HG SER 13 HG SER 13 8.547 2.308 -11.697 116 H ARG 14 H ARG 14 9.454 1.103 -9.216 117 HA ARG 14 HA ARG 14 9.677 1.258 -6.347 118 HB2 ARG 14 1HB ARG 14 12.123 1.139 -6.791 119 HB3 ARG 14 2HB ARG 14 11.214 -0.176 -7.522 120 HG2 ARG 14 1HG ARG 14 11.570 2.134 -9.275 121 HG3 ARG 14 2HG ARG 14 13.076 1.352 -8.791 122 HD2 ARG 14 1HD ARG 14 11.589 -0.812 -9.387 123 HD3 ARG 14 2HD ARG 14 10.879 0.362 -10.495 124 HE ARG 14 HE ARG 14 13.738 0.350 -10.584 125 HH11 ARG 14 1HH1 ARG 14 10.868 -1.245 -11.740 126 HH12 ARG 14 2HH1 ARG 14 11.625 -1.850 -13.176 127 HH21 ARG 14 1HH2 ARG 14 14.746 -0.441 -12.471 128 HH22 ARG 14 2HH2 ARG 14 13.831 -1.394 -13.590 129 H GLN 15 H GLN 15 9.732 3.458 -8.984 130 HA GLN 15 HA GLN 15 11.368 5.495 -8.030 131 HB2 GLN 15 1HB GLN 15 8.856 5.626 -9.699 132 HB3 GLN 15 2HB GLN 15 9.893 7.014 -9.399 133 HG2 GLN 15 1HG GLN 15 10.930 4.478 -10.618 134 HG3 GLN 15 2HG GLN 15 10.219 5.770 -11.583 135 HE21 GLN 15 2HE2 GLN 15 12.225 6.016 -12.644 136 HE22 GLN 15 1HE2 GLN 15 13.533 6.856 -11.891 137 H GLN 16 H GLN 16 7.867 5.057 -7.552 138 HA GLN 16 HA GLN 16 7.396 7.299 -5.984 139 HB2 GLN 16 1HB GLN 16 6.050 4.609 -5.696 140 HB3 GLN 16 2HB GLN 16 5.400 6.165 -5.197 141 HG2 GLN 16 1HG GLN 16 5.479 6.863 -7.601 142 HG3 GLN 16 2HG GLN 16 5.886 5.195 -7.999 143 HE21 GLN 16 2HE2 GLN 16 4.282 3.812 -8.315 144 HE22 GLN 16 1HE2 GLN 16 2.623 4.088 -7.920 145 H LEU 17 H LEU 17 8.773 4.200 -5.128 146 HA LEU 17 HA LEU 17 8.740 4.827 -2.288 147 HB2 LEU 17 1HB LEU 17 9.709 2.451 -3.857 148 HB3 LEU 17 2HB LEU 17 9.932 2.609 -2.117 149 HG LEU 17 HG LEU 17 7.158 2.931 -3.019 150 HD11 LEU 17 1HD1 LEU 17 7.696 1.247 -4.602 151 HD12 LEU 17 2HD1 LEU 17 6.883 0.447 -3.257 152 HD13 LEU 17 3HD1 LEU 17 8.636 0.339 -3.417 153 HD21 LEU 17 3HD2 LEU 17 8.688 1.725 -0.785 154 HD22 LEU 17 1HD2 LEU 17 7.101 1.046 -1.144 155 HD23 LEU 17 2HD2 LEU 17 7.259 2.759 -0.756 156 H GLU 18 H GLU 18 10.718 5.422 -4.935 157 HA GLU 18 HA GLU 18 13.270 5.225 -3.671 158 HB2 GLU 18 1HB GLU 18 12.286 6.542 -6.190 159 HB3 GLU 18 2HB GLU 18 13.944 6.743 -5.642 160 HG2 GLU 18 1HG GLU 18 13.060 3.964 -5.701 161 HG3 GLU 18 2HG GLU 18 13.038 4.755 -7.276 162 H ILE 19 H ILE 19 10.966 7.845 -4.227 163 HA ILE 19 HA ILE 19 12.372 10.065 -3.527 164 HB ILE 19 HB ILE 19 9.592 9.483 -2.504 165 HG12 ILE 19 1HG1 ILE 19 9.507 11.052 -4.849 166 HG13 ILE 19 2HG1 ILE 19 10.584 9.704 -5.198 167 HG21 ILE 19 1HG2 ILE 19 9.354 11.700 -2.082 168 HG22 ILE 19 2HG2 ILE 19 11.097 11.581 -1.850 169 HG23 ILE 19 3HG2 ILE 19 10.450 12.178 -3.378 170 HD11 ILE 19 3HD1 ILE 19 8.924 8.150 -5.001 171 HD12 ILE 19 1HD1 ILE 19 7.970 9.144 -3.901 172 HD13 ILE 19 2HD1 ILE 19 8.012 9.525 -5.623 173 H LEU 20 H LEU 20 11.091 7.610 -1.343 174 HA LEU 20 HA LEU 20 12.154 9.038 0.971 175 HB2 LEU 20 1HB LEU 20 10.949 6.371 1.314 176 HB3 LEU 20 2HB LEU 20 10.727 7.845 2.253 177 HG LEU 20 HG LEU 20 8.627 7.359 1.313 178 HD11 LEU 20 1HD1 LEU 20 8.138 9.329 0.253 179 HD12 LEU 20 2HD1 LEU 20 9.592 9.285 -0.743 180 HD13 LEU 20 3HD1 LEU 20 9.704 9.725 0.962 181 HD21 LEU 20 3HD2 LEU 20 9.268 7.369 -1.511 182 HD22 LEU 20 1HD2 LEU 20 8.316 6.219 -0.572 183 HD23 LEU 20 2HD2 LEU 20 10.070 6.049 -0.659 184 H GLU 21 H GLU 21 12.269 5.672 -0.216 185 HA GLU 21 HA GLU 21 14.278 4.675 1.316 186 HB2 GLU 21 1HB GLU 21 12.925 3.763 -0.850 187 HB3 GLU 21 2HB GLU 21 14.525 3.980 -1.544 188 HG2 GLU 21 1HG GLU 21 15.282 2.672 0.601 189 HG3 GLU 21 2HG GLU 21 13.614 2.105 0.574 190 H THR 22 H THR 22 14.569 6.981 -1.271 191 HA THR 22 HA THR 22 17.477 6.792 -1.296 192 HB THR 22 HB THR 22 15.753 8.725 -2.848 193 HG1 THR 22 HG1 THR 22 15.485 6.273 -3.141 194 HG21 THR 22 3HG2 THR 22 18.056 9.395 -2.802 195 HG22 THR 22 1HG2 THR 22 17.727 8.694 -4.386 196 HG23 THR 22 2HG2 THR 22 18.592 7.755 -3.169 197 H LEU 23 H LEU 23 14.998 9.280 -0.696 198 HA LEU 23 HA LEU 23 16.891 11.167 0.319 199 HB2 LEU 23 1HB LEU 23 14.685 11.707 -0.768 200 HB3 LEU 23 2HB LEU 23 13.908 11.176 0.723 201 HG LEU 23 HG LEU 23 15.947 13.381 0.715 202 HD11 LEU 23 1HD1 LEU 23 14.486 14.415 -0.692 203 HD12 LEU 23 2HD1 LEU 23 13.703 14.778 0.846 204 HD13 LEU 23 3HD1 LEU 23 13.109 13.453 -0.154 205 HD21 LEU 23 3HD2 LEU 23 13.999 13.835 2.622 206 HD22 LEU 23 1HD2 LEU 23 15.603 13.155 2.904 207 HD23 LEU 23 2HD2 LEU 23 14.223 12.085 2.656 208 H PHE 24 H PHE 24 14.130 9.592 1.943 209 HA PHE 24 HA PHE 24 14.683 10.218 4.531 210 HB2 PHE 24 1HB PHE 24 12.683 9.014 4.026 211 HB3 PHE 24 2HB PHE 24 13.590 7.642 3.397 212 HD1 PHE 24 HD1 PHE 24 14.072 9.556 6.547 213 HD2 PHE 24 HD2 PHE 24 12.992 5.855 4.743 214 HE1 PHE 24 HE1 PHE 24 14.002 8.498 8.767 215 HE2 PHE 24 HE2 PHE 24 12.919 4.792 6.960 216 HZ PHE 24 HZ PHE 24 13.424 6.113 8.976 217 H ASN 25 H ASN 25 16.236 7.739 2.581 218 HA ASN 25 HA ASN 25 17.758 6.664 4.768 219 HB2 ASN 25 1HB ASN 25 17.073 5.377 2.699 220 HB3 ASN 25 2HB ASN 25 18.290 6.296 1.816 221 HD21 ASN 25 2HD2 ASN 25 17.744 3.935 4.327 222 HD22 ASN 25 1HD2 ASN 25 19.351 3.301 4.350 223 H GLU 26 H GLU 26 18.406 8.829 2.039 224 HA GLU 26 HA GLU 26 21.137 9.149 2.317 225 HB2 GLU 26 1HB GLU 26 19.871 10.091 0.451 226 HB3 GLU 26 2HB GLU 26 19.090 11.232 1.537 227 HG2 GLU 26 1HG GLU 26 20.849 12.314 0.282 228 HG3 GLU 26 2HG GLU 26 21.248 12.275 1.999 229 H THR 27 H THR 27 18.541 10.965 3.925 230 HA THR 27 HA THR 27 19.917 11.274 6.343 231 HB THR 27 HB THR 27 19.945 13.986 5.774 232 HG1 THR 27 HG1 THR 27 20.925 14.235 3.828 233 HG21 THR 27 3HG2 THR 27 22.562 13.269 5.499 234 HG22 THR 27 1HG2 THR 27 21.890 11.855 6.308 235 HG23 THR 27 2HG2 THR 27 21.727 13.451 7.041 236 H GLN 28 H GLN 28 18.897 13.138 7.686 237 HA GLN 28 HA GLN 28 16.012 13.070 7.156 238 HB2 GLN 28 1HB GLN 28 17.605 13.458 9.685 239 HB3 GLN 28 2HB GLN 28 15.877 13.773 9.603 240 HG2 GLN 28 1HG GLN 28 15.436 11.477 9.034 241 HG3 GLN 28 2HG GLN 28 17.163 11.133 8.952 242 HE21 GLN 28 2HE2 GLN 28 18.295 11.981 11.083 243 HE22 GLN 28 1HE2 GLN 28 17.565 11.398 12.536 244 H TYR 29 H TYR 29 17.427 14.881 5.639 245 HA TYR 29 HA TYR 29 16.828 17.467 6.914 246 HB2 TYR 29 1HB TYR 29 18.650 16.959 4.556 247 HB3 TYR 29 2HB TYR 29 18.436 18.480 5.414 248 HD1 TYR 29 HD1 TYR 29 18.545 17.619 8.221 249 HD2 TYR 29 HD2 TYR 29 20.879 16.377 4.887 250 HE1 TYR 29 HE1 TYR 29 20.387 17.026 9.739 251 HE2 TYR 29 HE2 TYR 29 22.727 15.779 6.396 252 HH TYR 29 HH TYR 29 23.073 16.833 9.386 253 HA PRO 30 HA PRO 30 13.602 16.900 3.653 254 HB2 PRO 30 1HB PRO 30 11.607 17.998 5.131 255 HB3 PRO 30 2HB PRO 30 12.055 16.292 5.239 256 HG2 PRO 30 1HG PRO 30 12.807 18.565 7.035 257 HG3 PRO 30 2HG PRO 30 12.307 16.919 7.464 258 HD2 PRO 30 1HD PRO 30 14.900 17.699 7.458 259 HD3 PRO 30 2HD PRO 30 14.400 16.043 7.059 260 H ASP 31 H ASP 31 15.048 18.594 2.679 261 HA ASP 31 HA ASP 31 13.750 21.230 2.873 262 HB2 ASP 31 1HB ASP 31 16.685 20.573 2.720 263 HB3 ASP 31 2HB ASP 31 16.067 22.143 2.213 264 H VAL 32 H VAL 32 14.448 22.603 0.864 265 HA VAL 32 HA VAL 32 13.276 21.523 -1.392 266 HB VAL 32 HB VAL 32 14.455 23.348 -2.668 267 HG11 VAL 32 1HG1 VAL 32 12.308 23.824 -1.790 268 HG12 VAL 32 2HG1 VAL 32 12.937 23.981 -0.148 269 HG13 VAL 32 3HG1 VAL 32 13.333 25.195 -1.365 270 HG21 VAL 32 3HG2 VAL 32 15.634 25.042 -1.225 271 HG22 VAL 32 1HG2 VAL 32 15.685 23.813 0.040 272 HG23 VAL 32 2HG2 VAL 32 16.512 23.536 -1.493 273 H PHE 33 H PHE 33 16.718 21.686 -0.559 274 HA PHE 33 HA PHE 33 17.787 20.703 -2.927 275 HB2 PHE 33 1HB PHE 33 18.680 21.014 -0.164 276 HB3 PHE 33 2HB PHE 33 19.424 19.635 -0.967 277 HD1 PHE 33 HD2 PHE 33 18.995 23.285 -1.046 278 HD2 PHE 33 HD1 PHE 33 21.017 19.930 -2.711 279 HE1 PHE 33 HE2 PHE 33 20.581 24.799 -2.162 280 HE2 PHE 33 HE1 PHE 33 22.607 21.438 -3.829 281 HZ PHE 33 HZ PHE 33 22.390 23.876 -3.556 282 H ALA 34 H ALA 34 16.002 19.082 -0.467 283 HA ALA 34 HA ALA 34 16.862 16.433 -1.281 284 HB1 ALA 34 1HB ALA 34 16.041 17.370 1.097 285 HB2 ALA 34 2HB ALA 34 14.517 16.724 0.486 286 HB3 ALA 34 3HB ALA 34 15.926 15.673 0.629 287 H ARG 35 H ARG 35 13.650 17.966 -0.983 288 HA ARG 35 HA ARG 35 12.265 16.133 -2.544 289 HB2 ARG 35 1HB ARG 35 10.625 18.040 -2.895 290 HB3 ARG 35 2HB ARG 35 10.998 17.633 -1.226 291 HG2 ARG 35 1HG ARG 35 12.483 19.520 -1.048 292 HG3 ARG 35 2HG ARG 35 12.266 19.891 -2.759 293 HD2 ARG 35 1HD ARG 35 10.184 20.765 -2.447 294 HD3 ARG 35 2HD ARG 35 9.833 19.718 -1.072 295 HE ARG 35 HE ARG 35 11.740 21.345 -0.095 296 HH11 ARG 35 1HH1 ARG 35 8.774 21.960 -1.811 297 HH12 ARG 35 2HH1 ARG 35 8.501 23.494 -1.054 298 HH21 ARG 35 1HH2 ARG 35 11.391 23.364 0.909 299 HH22 ARG 35 2HH2 ARG 35 9.991 24.292 0.492 300 H GLU 36 H GLU 36 13.888 19.135 -3.503 301 HA GLU 36 HA GLU 36 13.100 19.095 -6.206 302 HB2 GLU 36 1HB GLU 36 14.052 21.073 -5.047 303 HB3 GLU 36 2HB GLU 36 15.618 20.275 -5.020 304 HG2 GLU 36 1HG GLU 36 15.908 20.480 -7.309 305 HG3 GLU 36 2HG GLU 36 14.187 20.720 -7.605 306 H ARG 37 H ARG 37 15.520 17.346 -4.462 307 HA ARG 37 HA ARG 37 17.078 16.612 -6.758 308 HB2 ARG 37 1HB ARG 37 18.085 16.699 -4.527 309 HB3 ARG 37 2HB ARG 37 16.997 15.431 -3.977 310 HG2 ARG 37 1HG ARG 37 18.090 14.130 -6.011 311 HG3 ARG 37 2HG ARG 37 19.409 15.257 -5.687 312 HD2 ARG 37 1HD ARG 37 19.190 14.539 -3.247 313 HD3 ARG 37 2HD ARG 37 18.200 13.210 -3.850 314 HE ARG 37 HE ARG 37 20.102 12.184 -4.593 315 HH11 ARG 37 1HH1 ARG 37 20.793 15.541 -3.978 316 HH12 ARG 37 2HH1 ARG 37 22.499 15.370 -4.229 317 HH21 ARG 37 1HH2 ARG 37 22.346 11.947 -4.925 318 HH22 ARG 37 2HH2 ARG 37 23.381 13.325 -4.769 319 H VAL 38 H VAL 38 15.101 14.644 -4.529 320 HA VAL 38 HA VAL 38 15.013 12.339 -6.066 321 HB VAL 38 HB VAL 38 12.778 11.923 -4.874 322 HG11 VAL 38 1HG1 VAL 38 14.838 10.972 -4.072 323 HG12 VAL 38 2HG1 VAL 38 15.292 12.498 -3.312 324 HG13 VAL 38 3HG1 VAL 38 13.917 11.581 -2.697 325 HG21 VAL 38 3HG2 VAL 38 12.011 13.402 -3.267 326 HG22 VAL 38 1HG2 VAL 38 13.559 14.240 -3.152 327 HG23 VAL 38 2HG2 VAL 38 12.522 14.490 -4.557 328 H ALA 39 H ALA 39 13.307 15.322 -6.469 329 HA ALA 39 HA ALA 39 11.087 14.508 -7.939 330 HB1 ALA 39 1HB ALA 39 10.721 16.694 -7.899 331 HB2 ALA 39 2HB ALA 39 12.359 16.958 -7.299 332 HB3 ALA 39 3HB ALA 39 12.047 16.948 -9.035 333 H ASP 40 H ASP 40 14.435 14.811 -8.873 334 HA ASP 40 HA ASP 40 13.863 14.537 -11.699 335 HB2 ASP 40 1HB ASP 40 15.814 15.859 -10.652 336 HB3 ASP 40 2HB ASP 40 16.585 14.290 -10.438 337 H GLN 41 H GLN 41 14.319 12.480 -9.034 338 HA GLN 41 HA GLN 41 15.421 10.253 -10.475 339 HB2 GLN 41 1HB GLN 41 14.155 10.460 -7.740 340 HB3 GLN 41 2HB GLN 41 14.868 8.986 -8.383 341 HG2 GLN 41 1HG GLN 41 16.476 11.499 -8.260 342 HG3 GLN 41 2HG GLN 41 16.252 10.512 -6.817 343 HE21 GLN 41 2HE2 GLN 41 18.751 10.887 -7.725 344 HE22 GLN 41 1HE2 GLN 41 19.368 9.438 -8.436 345 H ILE 42 H ILE 42 12.232 10.960 -9.051 346 HA ILE 42 HA ILE 42 11.065 8.728 -10.513 347 HB ILE 42 HB ILE 42 9.142 8.975 -9.201 348 HG12 ILE 42 1HG1 ILE 42 10.102 11.714 -8.349 349 HG13 ILE 42 2HG1 ILE 42 8.901 11.428 -9.604 350 HG21 ILE 42 1HG2 ILE 42 11.320 9.908 -7.346 351 HG22 ILE 42 2HG2 ILE 42 9.923 8.904 -6.958 352 HG23 ILE 42 3HG2 ILE 42 11.214 8.264 -7.974 353 HD11 ILE 42 3HD1 ILE 42 8.681 11.100 -6.656 354 HD12 ILE 42 1HD1 ILE 42 7.577 11.874 -7.793 355 HD13 ILE 42 2HD1 ILE 42 7.673 10.114 -7.716 356 H ARG 43 H ARG 43 11.732 11.918 -11.125 357 HA ARG 43 HA ARG 43 11.146 13.326 -12.816 358 HB2 ARG 43 1HB ARG 43 10.995 11.075 -14.061 359 HB3 ARG 43 2HB ARG 43 9.255 11.232 -13.860 360 HG2 ARG 43 1HG ARG 43 9.925 12.031 -16.037 361 HG3 ARG 43 2HG ARG 43 9.321 13.370 -15.059 362 HD2 ARG 43 1HD ARG 43 11.526 14.159 -14.635 363 HD3 ARG 43 2HD ARG 43 12.244 12.700 -15.318 364 HE ARG 43 HE ARG 43 10.717 13.899 -17.313 365 HH11 ARG 43 1HH1 ARG 43 13.553 14.594 -15.418 366 HH12 ARG 43 2HH1 ARG 43 14.290 15.575 -16.641 367 HH21 ARG 43 1HH2 ARG 43 11.676 15.188 -18.931 368 HH22 ARG 43 2HH2 ARG 43 13.221 15.913 -18.639 369 H LEU 44 H LEU 44 10.007 14.048 -10.629 370 HA LEU 44 HA LEU 44 7.273 14.759 -11.399 371 HB2 LEU 44 1HB LEU 44 7.198 12.835 -9.828 372 HB3 LEU 44 2HB LEU 44 8.027 13.830 -8.633 373 HG LEU 44 HG LEU 44 6.117 15.343 -8.548 374 HD11 LEU 44 1HD1 LEU 44 5.344 13.858 -10.933 375 HD12 LEU 44 2HD1 LEU 44 4.859 15.463 -10.387 376 HD13 LEU 44 3HD1 LEU 44 4.035 14.034 -9.763 377 HD21 LEU 44 3HD2 LEU 44 5.951 13.708 -6.913 378 HD22 LEU 44 1HD2 LEU 44 5.683 12.418 -8.086 379 HD23 LEU 44 2HD2 LEU 44 4.400 13.580 -7.746 380 H GLN 45 H GLN 45 6.424 16.595 -10.100 381 HA GLN 45 HA GLN 45 8.139 18.775 -10.153 382 HB2 GLN 45 1HB GLN 45 5.416 18.254 -9.360 383 HB3 GLN 45 2HB GLN 45 6.171 19.381 -8.240 384 HG2 GLN 45 1HG GLN 45 6.204 19.736 -11.225 385 HG3 GLN 45 2HG GLN 45 4.968 20.421 -10.171 386 HE21 GLN 45 2HE2 GLN 45 5.301 22.466 -9.729 387 HE22 GLN 45 1HE2 GLN 45 6.835 23.237 -9.540 388 H GLU 46 H GLU 46 9.197 19.976 -8.558 389 HA GLU 46 HA GLU 46 10.451 18.453 -6.524 390 HB2 GLU 46 1HB GLU 46 11.468 20.607 -5.845 391 HB3 GLU 46 2HB GLU 46 11.620 20.295 -7.569 392 HG2 GLU 46 1HG GLU 46 9.633 21.762 -7.928 393 HG3 GLU 46 2HG GLU 46 9.710 22.182 -6.218 394 H SER 47 H SER 47 7.917 20.925 -6.474 395 HA SER 47 HA SER 47 7.652 20.806 -3.605 396 HB2 SER 47 1HB SER 47 7.231 22.895 -4.891 397 HB3 SER 47 2HB SER 47 5.832 22.122 -5.636 398 HG SER 47 HG SER 47 5.998 22.125 -2.849 399 H ARG 48 H ARG 48 6.337 19.159 -6.316 400 HA ARG 48 HA ARG 48 3.929 18.285 -4.999 401 HB2 ARG 48 1HB ARG 48 4.035 18.558 -7.449 402 HB3 ARG 48 2HB ARG 48 5.236 17.276 -7.531 403 HG2 ARG 48 1HG ARG 48 3.095 16.396 -8.152 404 HG3 ARG 48 2HG ARG 48 3.572 15.707 -6.599 405 HD2 ARG 48 1HD ARG 48 1.213 16.353 -6.609 406 HD3 ARG 48 2HD ARG 48 2.137 17.292 -5.437 407 HE ARG 48 HE ARG 48 1.893 18.587 -7.983 408 HH11 ARG 48 1HH1 ARG 48 0.342 18.020 -4.919 409 HH12 ARG 48 2HH1 ARG 48 -0.617 19.461 -4.990 410 HH21 ARG 48 1HH2 ARG 48 0.636 20.488 -8.089 411 HH22 ARG 48 2HH2 ARG 48 -0.450 20.864 -6.794 412 H ILE 49 H ILE 49 7.031 16.806 -5.894 413 HA ILE 49 HA ILE 49 6.595 14.219 -5.049 414 HB ILE 49 HB ILE 49 8.733 15.450 -6.065 415 HG12 ILE 49 1HG1 ILE 49 8.901 12.954 -4.363 416 HG13 ILE 49 2HG1 ILE 49 8.275 13.013 -6.007 417 HG21 ILE 49 1HG2 ILE 49 9.106 16.519 -3.774 418 HG22 ILE 49 2HG2 ILE 49 9.658 14.926 -3.259 419 HG23 ILE 49 3HG2 ILE 49 10.498 15.772 -4.559 420 HD11 ILE 49 3HD1 ILE 49 10.315 12.989 -6.900 421 HD12 ILE 49 1HD1 ILE 49 10.947 14.147 -5.730 422 HD13 ILE 49 2HD1 ILE 49 10.843 12.437 -5.310 423 H GLN 50 H GLN 50 6.963 17.080 -3.147 424 HA GLN 50 HA GLN 50 7.834 16.034 -0.719 425 HB2 GLN 50 1HB GLN 50 6.931 18.502 -1.642 426 HB3 GLN 50 2HB GLN 50 5.799 18.077 -0.365 427 HG2 GLN 50 1HG GLN 50 7.751 17.677 1.132 428 HG3 GLN 50 2HG GLN 50 8.789 18.311 -0.144 429 HE21 GLN 50 2HE2 GLN 50 5.635 19.318 1.126 430 HE22 GLN 50 1HE2 GLN 50 6.108 20.937 1.499 431 H VAL 51 H VAL 51 4.591 16.180 -2.105 432 HA VAL 51 HA VAL 51 3.202 15.263 0.179 433 HB VAL 51 HB VAL 51 1.313 14.984 -1.205 434 HG11 VAL 51 1HG1 VAL 51 2.593 17.319 -1.112 435 HG12 VAL 51 2HG1 VAL 51 2.620 17.066 -2.858 436 HG13 VAL 51 3HG1 VAL 51 1.082 17.101 -1.995 437 HG21 VAL 51 3HG2 VAL 51 1.792 15.144 -3.809 438 HG22 VAL 51 1HG2 VAL 51 3.325 14.426 -3.316 439 HG23 VAL 51 2HG2 VAL 51 1.809 13.603 -2.952 440 H TRP 52 H TRP 52 4.861 13.621 -2.431 441 HA TRP 52 HA TRP 52 3.851 11.019 -1.662 442 HB2 TRP 52 1HB TRP 52 5.969 11.811 -3.674 443 HB3 TRP 52 2HB TRP 52 5.344 10.179 -3.452 444 HD1 TRP 52 HD1 TRP 52 4.579 13.449 -5.157 445 HE1 TRP 52 HE1 TRP 52 2.426 13.209 -6.547 446 HE3 TRP 52 HE3 TRP 52 2.998 8.906 -3.427 447 HZ2 TRP 52 HZ2 TRP 52 0.334 11.341 -6.867 448 HZ3 TRP 52 HZ3 TRP 52 0.911 7.963 -4.326 449 HH2 TRP 52 HH2 TRP 52 -0.393 9.157 -6.010 450 H PHE 53 H PHE 53 6.448 13.061 -0.809 451 HA PHE 53 HA PHE 53 8.461 11.244 -0.162 452 HB2 PHE 53 1HB PHE 53 8.895 13.621 -0.154 453 HB3 PHE 53 2HB PHE 53 7.726 13.872 1.138 454 HD1 PHE 53 HD2 PHE 53 10.631 11.587 0.594 455 HD2 PHE 53 HD1 PHE 53 8.705 14.411 3.131 456 HE1 PHE 53 HE2 PHE 53 12.419 11.305 2.260 457 HE2 PHE 53 HE1 PHE 53 10.491 14.134 4.801 458 HZ PHE 53 HZ PHE 53 12.351 12.578 4.367 459 H LYS 54 H LYS 54 5.407 11.747 1.284 460 HA LYS 54 HA LYS 54 6.160 10.595 3.842 461 HB2 LYS 54 1HB LYS 54 4.296 12.419 3.238 462 HB3 LYS 54 2HB LYS 54 3.305 10.972 3.101 463 HG2 LYS 54 1HG LYS 54 4.678 10.622 5.479 464 HG3 LYS 54 2HG LYS 54 4.272 12.340 5.458 465 HD2 LYS 54 1HD LYS 54 1.913 11.632 4.859 466 HD3 LYS 54 2HD LYS 54 2.407 9.985 5.257 467 HE2 LYS 54 1HE LYS 54 3.272 11.275 7.453 468 HE3 LYS 54 2HE LYS 54 1.907 12.303 7.019 469 HZ1 LYS 54 3HZ LYS 54 1.067 10.659 8.451 470 HZ2 LYS 54 1HZ LYS 54 1.875 9.409 7.646 471 HZ3 LYS 54 2HZ LYS 54 0.572 10.190 6.903 472 H ASN 55 H ASN 55 5.118 9.521 0.792 473 HA ASN 55 HA ASN 55 3.477 7.410 1.126 474 HB2 ASN 55 1HB ASN 55 4.286 7.824 -1.059 475 HB3 ASN 55 2HB ASN 55 5.964 7.628 -0.562 476 HD21 ASN 55 2HD2 ASN 55 6.461 6.052 -2.020 477 HD22 ASN 55 1HD2 ASN 55 5.799 4.457 -1.959 478 H ARG 56 H ARG 56 6.996 6.846 1.148 479 HA ARG 56 HA ARG 56 6.615 4.462 2.749 480 HB2 ARG 56 1HB ARG 56 8.312 4.911 0.770 481 HB3 ARG 56 2HB ARG 56 9.320 5.529 2.072 482 HG2 ARG 56 1HG ARG 56 8.277 3.043 2.921 483 HG3 ARG 56 2HG ARG 56 8.882 2.838 1.276 484 HD2 ARG 56 1HD ARG 56 11.043 3.627 1.888 485 HD3 ARG 56 2HD ARG 56 10.467 4.159 3.467 486 HE ARG 56 HE ARG 56 10.750 2.029 4.238 487 HH11 ARG 56 1HH1 ARG 56 10.677 1.965 0.758 488 HH12 ARG 56 2HH1 ARG 56 11.096 0.288 0.650 489 HH21 ARG 56 1HH2 ARG 56 11.301 -0.181 4.109 490 HH22 ARG 56 2HH2 ARG 56 11.449 -0.933 2.556 491 H ARG 57 H ARG 57 8.064 7.662 3.092 492 HA ARG 57 HA ARG 57 9.385 7.415 5.488 493 HB2 ARG 57 1HB ARG 57 9.542 9.474 4.317 494 HB3 ARG 57 2HB ARG 57 7.800 9.713 4.354 495 HG2 ARG 57 1HG ARG 57 8.940 11.198 5.909 496 HG3 ARG 57 2HG ARG 57 7.884 10.067 6.759 497 HD2 ARG 57 1HD ARG 57 9.623 8.946 7.713 498 HD3 ARG 57 2HD ARG 57 10.710 9.264 6.362 499 HE ARG 57 HE ARG 57 10.441 11.702 7.427 500 HH11 ARG 57 1HH1 ARG 57 11.104 8.609 8.880 501 HH12 ARG 57 2HH1 ARG 57 12.038 9.273 10.180 502 HH21 ARG 57 1HH2 ARG 57 11.668 12.589 9.133 503 HH22 ARG 57 2HH2 ARG 57 12.357 11.537 10.323 504 H ALA 58 H ALA 58 5.957 7.471 4.903 505 HA ALA 58 HA ALA 58 5.319 7.785 7.723 506 HB1 ALA 58 1HB ALA 58 2.987 7.705 6.996 507 HB2 ALA 58 2HB ALA 58 3.907 8.893 6.072 508 HB3 ALA 58 3HB ALA 58 3.510 7.333 5.353 509 H LYS 59 H LYS 59 5.432 5.281 5.273 510 HA LYS 59 HA LYS 59 3.997 3.276 6.591 511 HB2 LYS 59 1HB LYS 59 5.784 3.469 4.321 512 HB3 LYS 59 2HB LYS 59 6.065 1.981 5.216 513 HG2 LYS 59 1HG LYS 59 4.442 1.682 3.413 514 HG3 LYS 59 2HG LYS 59 3.731 1.373 4.999 515 HD2 LYS 59 1HD LYS 59 2.239 3.017 4.752 516 HD3 LYS 59 2HD LYS 59 3.471 4.153 4.196 517 HE2 LYS 59 1HE LYS 59 1.820 3.835 2.463 518 HE3 LYS 59 2HE LYS 59 3.354 3.132 1.953 519 HZ1 LYS 59 3HZ LYS 59 0.921 1.882 1.972 520 HZ2 LYS 59 1HZ LYS 59 1.717 1.237 3.318 521 HZ3 LYS 59 2HZ LYS 59 2.428 1.135 1.787 522 H TYR 60 H TYR 60 7.087 4.615 7.252 523 HA TYR 60 HA TYR 60 8.439 2.524 8.462 524 HB2 TYR 60 1HB TYR 60 9.894 4.108 9.216 525 HB3 TYR 60 2HB TYR 60 9.005 5.117 8.081 526 HD1 TYR 60 HD1 TYR 60 6.884 6.317 9.103 527 HD2 TYR 60 HD2 TYR 60 10.170 4.865 11.382 528 HE1 TYR 60 HE1 TYR 60 6.289 7.854 10.928 529 HE2 TYR 60 HE2 TYR 60 9.584 6.397 13.214 530 HH TYR 60 HH TYR 60 8.218 7.998 13.910 531 H ARG 61 H ARG 61 5.665 4.279 9.553 532 HA ARG 61 HA ARG 61 5.900 3.511 12.313 533 HB2 ARG 61 1HB ARG 61 3.868 4.644 12.657 534 HB3 ARG 61 2HB ARG 61 4.677 5.560 11.392 535 HG2 ARG 61 1HG ARG 61 3.305 4.178 9.747 536 HG3 ARG 61 2HG ARG 61 2.343 3.696 11.146 537 HD2 ARG 61 1HD ARG 61 1.321 5.593 10.027 538 HD3 ARG 61 2HD ARG 61 1.886 6.056 11.632 539 HE ARG 61 HE ARG 61 3.811 6.594 9.585 540 HH11 ARG 61 1HH1 ARG 61 0.947 7.792 11.160 541 HH12 ARG 61 2HH1 ARG 61 1.274 9.450 10.782 542 HH21 ARG 61 1HH2 ARG 61 4.253 8.774 9.081 543 HH22 ARG 61 2HH2 ARG 61 3.155 10.008 9.599 544 H LEU 62 H LEU 62 4.359 2.244 9.444 545 HA LEU 62 HA LEU 62 2.603 0.429 10.710 546 HB2 LEU 62 1HB LEU 62 2.493 1.168 8.327 547 HB3 LEU 62 2HB LEU 62 3.889 0.143 8.000 548 HG LEU 62 HG LEU 62 1.483 -1.114 9.217 549 HD11 LEU 62 1HD1 LEU 62 0.415 -1.389 7.075 550 HD12 LEU 62 2HD1 LEU 62 1.687 -0.461 6.281 551 HD13 LEU 62 3HD1 LEU 62 0.598 0.331 7.420 552 HD21 LEU 62 3HD2 LEU 62 2.782 -2.874 8.825 553 HD22 LEU 62 1HD2 LEU 62 3.920 -1.904 7.890 554 HD23 LEU 62 2HD2 LEU 62 2.509 -2.610 7.102 555 H GLN 63 H GLN 63 5.944 0.157 9.602 556 HA GLN 63 HA GLN 63 6.136 -2.635 10.253 557 HB2 GLN 63 1HB GLN 63 8.433 -2.464 9.603 558 HB3 GLN 63 2HB GLN 63 7.485 -1.518 8.464 559 HG2 GLN 63 1HG GLN 63 8.128 0.529 9.580 560 HG3 GLN 63 2HG GLN 63 9.009 -0.388 10.801 561 HE21 GLN 63 2HE2 GLN 63 10.755 -1.810 9.945 562 HE22 GLN 63 1HE2 GLN 63 11.715 -1.198 8.645 563 H GLU 64 H GLU 64 6.532 0.340 11.937 564 HA GLU 64 HA GLU 64 8.364 -0.342 13.915 565 HB2 GLU 64 1HB GLU 64 7.391 1.930 13.528 566 HB3 GLU 64 2HB GLU 64 5.906 1.375 14.288 567 HG2 GLU 64 1HG GLU 64 6.809 1.364 16.379 568 HG3 GLU 64 2HG GLU 64 8.444 1.066 15.793 569 H LYS 65 H LYS 65 4.807 -0.483 14.171 570 HA LYS 65 HA LYS 65 4.817 -1.921 16.608 571 HB2 LYS 65 1HB LYS 65 2.415 -2.290 16.150 572 HB3 LYS 65 2HB LYS 65 2.888 -0.608 15.946 573 HG2 LYS 65 1HG LYS 65 1.699 -0.796 14.049 574 HG3 LYS 65 2HG LYS 65 3.204 -1.477 13.425 575 HD2 LYS 65 1HD LYS 65 1.600 -3.031 12.769 576 HD3 LYS 65 2HD LYS 65 2.261 -3.734 14.246 577 HE2 LYS 65 1HE LYS 65 0.373 -2.732 15.505 578 HE3 LYS 65 2HE LYS 65 -0.306 -2.173 13.976 579 HZ1 LYS 65 3HZ LYS 65 -1.050 -4.429 15.032 580 HZ2 LYS 65 1HZ LYS 65 0.337 -5.019 14.263 581 HZ3 LYS 65 2HZ LYS 65 -0.882 -4.276 13.356 582 H GLN 66 H GLN 66 5.183 -2.879 13.323 583 HA GLN 66 HA GLN 66 4.311 -5.571 13.577 584 HB2 GLN 66 1HB GLN 66 5.146 -3.927 11.496 585 HB3 GLN 66 2HB GLN 66 6.390 -5.167 11.583 586 HG2 GLN 66 1HG GLN 66 3.596 -6.107 11.684 587 HG3 GLN 66 2HG GLN 66 4.143 -5.419 10.155 588 HE21 GLN 66 2HE2 GLN 66 5.555 -6.537 8.903 589 HE22 GLN 66 1HE2 GLN 66 6.107 -8.134 9.264 590 H LYS 67 H LYS 67 7.618 -4.268 13.248 591 HA LYS 67 HA LYS 67 8.995 -6.593 13.846 592 HB2 LYS 67 1HB LYS 67 9.650 -3.685 14.137 593 HB3 LYS 67 2HB LYS 67 10.766 -4.891 14.764 594 HG2 LYS 67 1HG LYS 67 9.788 -4.799 11.919 595 HG3 LYS 67 2HG LYS 67 11.311 -4.105 12.481 596 HD2 LYS 67 1HD LYS 67 12.001 -6.345 13.265 597 HD3 LYS 67 2HD LYS 67 10.506 -7.011 12.606 598 HE2 LYS 67 1HE LYS 67 12.543 -5.516 10.966 599 HE3 LYS 67 2HE LYS 67 12.523 -7.270 11.139 600 HZ1 LYS 67 3HZ LYS 67 9.983 -6.724 10.423 601 HZ2 LYS 67 1HZ LYS 67 11.205 -7.203 9.355 602 HZ3 LYS 67 2HZ LYS 67 10.840 -5.562 9.542 603 HA PRO 68 HA PRO 68 8.575 -7.374 18.143 604 HB2 PRO 68 1HB PRO 68 11.073 -8.187 18.827 605 HB3 PRO 68 2HB PRO 68 9.975 -9.172 17.853 606 HG2 PRO 68 1HG PRO 68 12.244 -7.431 16.970 607 HG3 PRO 68 2HG PRO 68 11.797 -9.054 16.414 608 HD2 PRO 68 1HD PRO 68 11.174 -6.815 15.025 609 HD3 PRO 68 2HD PRO 68 10.140 -8.258 15.023 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.703 0.317 0.468 2 HA2 GLY 1 1HA GLY 1 3.918 -0.754 -1.103 3 HA3 GLY 1 2HA GLY 1 2.344 -0.718 -1.884 4 HA PRO 2 HA PRO 2 4.624 3.335 -2.533 5 HB2 PRO 2 1HB PRO 2 4.658 3.219 -5.245 6 HB3 PRO 2 2HB PRO 2 5.937 2.531 -4.238 7 HG2 PRO 2 1HG PRO 2 3.622 1.164 -5.554 8 HG3 PRO 2 2HG PRO 2 5.313 0.644 -5.445 9 HD2 PRO 2 1HD PRO 2 3.378 -0.347 -3.832 10 HD3 PRO 2 2HD PRO 2 5.060 -0.157 -3.298 11 H ARG 3 H ARG 3 2.429 3.922 -1.677 12 HA ARG 3 HA ARG 3 1.063 5.546 -3.553 13 HB2 ARG 3 1HB ARG 3 0.167 3.237 -4.102 14 HB3 ARG 3 2HB ARG 3 -0.573 3.237 -2.507 15 HG2 ARG 3 1HG ARG 3 -2.044 4.965 -3.060 16 HG3 ARG 3 2HG ARG 3 -1.099 5.435 -4.474 17 HD2 ARG 3 1HD ARG 3 -2.957 4.306 -5.349 18 HD3 ARG 3 2HD ARG 3 -1.649 3.123 -5.399 19 HE ARG 3 HE ARG 3 -2.819 2.600 -3.033 20 HH11 ARG 3 1HH1 ARG 3 -4.087 2.990 -6.251 21 HH12 ARG 3 2HH1 ARG 3 -5.415 1.906 -6.000 22 HH21 ARG 3 1HH2 ARG 3 -4.563 1.171 -2.689 23 HH22 ARG 3 2HH2 ARG 3 -5.685 0.872 -3.973 24 H LYS 4 H LYS 4 0.670 7.274 -2.353 25 HA LYS 4 HA LYS 4 0.146 6.971 0.504 26 HB2 LYS 4 1HB LYS 4 1.856 8.609 -0.464 27 HB3 LYS 4 2HB LYS 4 0.478 9.564 -0.997 28 HG2 LYS 4 1HG LYS 4 0.514 8.758 1.846 29 HG3 LYS 4 2HG LYS 4 1.709 9.953 1.336 30 HD2 LYS 4 1HD LYS 4 -1.230 10.201 0.728 31 HD3 LYS 4 2HD LYS 4 -0.485 10.878 2.178 32 HE2 LYS 4 1HE LYS 4 1.178 11.812 0.249 33 HE3 LYS 4 2HE LYS 4 -0.355 11.776 -0.620 34 HZ1 LYS 4 3HZ LYS 4 0.351 13.306 1.804 35 HZ2 LYS 4 1HZ LYS 4 -1.265 12.982 1.422 36 HZ3 LYS 4 2HZ LYS 4 -0.304 13.868 0.349 37 H ASN 5 H ASN 5 -1.344 8.240 -2.428 38 HA ASN 5 HA ASN 5 -3.862 8.547 -0.927 39 HB2 ASN 5 1HB ASN 5 -2.583 10.270 -2.994 40 HB3 ASN 5 2HB ASN 5 -4.339 10.136 -3.016 41 HD21 ASN 5 2HD2 ASN 5 -5.146 10.144 -0.538 42 HD22 ASN 5 1HD2 ASN 5 -4.620 11.546 0.324 43 H ARG 6 H ARG 6 -2.929 8.388 -4.364 44 HA ARG 6 HA ARG 6 -4.163 5.858 -4.789 45 HB2 ARG 6 1HB ARG 6 -5.988 6.665 -6.274 46 HB3 ARG 6 2HB ARG 6 -6.223 7.094 -4.585 47 HG2 ARG 6 1HG ARG 6 -6.740 9.087 -5.521 48 HG3 ARG 6 2HG ARG 6 -4.995 9.310 -5.382 49 HD2 ARG 6 1HD ARG 6 -5.195 9.859 -7.567 50 HD3 ARG 6 2HD ARG 6 -5.094 8.111 -7.774 51 HE ARG 6 HE ARG 6 -7.782 8.836 -7.415 52 HH11 ARG 6 1HH1 ARG 6 -5.212 9.141 -9.744 53 HH12 ARG 6 2HH1 ARG 6 -6.280 9.213 -11.107 54 HH21 ARG 6 1HH2 ARG 6 -9.198 8.931 -9.201 55 HH22 ARG 6 2HH2 ARG 6 -8.547 9.095 -10.797 56 H ARG 7 H ARG 7 -3.011 8.894 -6.146 57 HA ARG 7 HA ARG 7 -2.510 7.847 -8.755 58 HB2 ARG 7 1HB ARG 7 -1.296 9.946 -9.134 59 HB3 ARG 7 2HB ARG 7 -2.868 10.236 -8.401 60 HG2 ARG 7 1HG ARG 7 -1.377 10.112 -6.185 61 HG3 ARG 7 2HG ARG 7 -0.160 10.687 -7.325 62 HD2 ARG 7 1HD ARG 7 -2.857 11.979 -7.195 63 HD3 ARG 7 2HD ARG 7 -1.604 12.407 -6.030 64 HE ARG 7 HE ARG 7 -0.340 12.669 -8.401 65 HH11 ARG 7 1HH1 ARG 7 -3.359 13.888 -7.168 66 HH12 ARG 7 2HH1 ARG 7 -3.315 15.334 -8.122 67 HH21 ARG 7 1HH2 ARG 7 -0.270 14.568 -9.661 68 HH22 ARG 7 2HH2 ARG 7 -1.558 15.719 -9.540 69 H GLU 8 H GLU 8 -0.140 8.198 -9.627 70 HA GLU 8 HA GLU 8 2.086 7.764 -8.018 71 HB2 GLU 8 1HB GLU 8 2.424 5.283 -8.623 72 HB3 GLU 8 2HB GLU 8 1.337 5.672 -7.297 73 HG2 GLU 8 1HG GLU 8 -0.574 5.443 -8.834 74 HG3 GLU 8 2HG GLU 8 0.542 4.969 -10.113 75 H ARG 9 H ARG 9 3.998 7.018 -9.272 76 HA ARG 9 HA ARG 9 4.210 8.355 -11.702 77 HB2 ARG 9 1HB ARG 9 6.058 7.526 -10.104 78 HB3 ARG 9 2HB ARG 9 5.956 6.012 -10.992 79 HG2 ARG 9 1HG ARG 9 6.290 8.522 -12.542 80 HG3 ARG 9 2HG ARG 9 7.677 7.892 -11.650 81 HD2 ARG 9 1HD ARG 9 8.044 6.417 -13.267 82 HD3 ARG 9 2HD ARG 9 6.448 5.719 -12.992 83 HE ARG 9 HE ARG 9 5.931 7.885 -14.534 84 HH11 ARG 9 1HH1 ARG 9 8.100 5.179 -14.836 85 HH12 ARG 9 2HH1 ARG 9 8.054 5.168 -16.568 86 HH21 ARG 9 1HH2 ARG 9 5.862 7.881 -16.814 87 HH22 ARG 9 2HH2 ARG 9 6.782 6.707 -17.692 88 H THR 10 H THR 10 3.153 5.123 -10.999 89 HA THR 10 HA THR 10 1.992 4.746 -13.531 90 HB THR 10 HB THR 10 4.453 4.469 -14.115 91 HG1 THR 10 HG1 THR 10 3.788 3.150 -15.660 92 HG21 THR 10 3HG2 THR 10 4.586 2.925 -11.899 93 HG22 THR 10 1HG2 THR 10 5.720 2.810 -13.244 94 HG23 THR 10 2HG2 THR 10 4.363 1.688 -13.136 95 H THR 11 H THR 11 1.858 2.065 -13.804 96 HA THR 11 HA THR 11 -0.021 1.233 -11.994 97 HB THR 11 HB THR 11 1.824 -0.830 -13.131 98 HG1 THR 11 HG1 THR 11 1.459 -0.190 -15.113 99 HG21 THR 11 3HG2 THR 11 -1.171 -0.729 -13.289 100 HG22 THR 11 1HG2 THR 11 -0.358 -1.247 -11.813 101 HG23 THR 11 2HG2 THR 11 -0.105 -2.133 -13.317 102 H TYR 12 H TYR 12 3.432 0.341 -11.950 103 HA TYR 12 HA TYR 12 3.512 0.406 -9.088 104 HB2 TYR 12 1HB TYR 12 3.121 -2.158 -10.500 105 HB3 TYR 12 2HB TYR 12 4.406 -2.152 -9.297 106 HD1 TYR 12 HD2 TYR 12 3.666 -0.947 -7.002 107 HD2 TYR 12 HD1 TYR 12 1.030 -2.796 -9.783 108 HE1 TYR 12 HE2 TYR 12 2.001 -1.244 -5.217 109 HE2 TYR 12 HE1 TYR 12 -0.644 -3.096 -8.006 110 HH TYR 12 HH TYR 12 0.024 -2.094 -4.665 111 H SER 13 H SER 13 5.348 1.528 -8.945 112 HA SER 13 HA SER 13 7.761 0.375 -10.147 113 HB2 SER 13 1HB SER 13 6.547 2.679 -11.142 114 HB3 SER 13 2HB SER 13 7.864 3.281 -10.135 115 HG SER 13 HG SER 13 8.093 1.356 -12.211 116 H ARG 14 H ARG 14 9.754 1.110 -9.130 117 HA ARG 14 HA ARG 14 9.431 1.322 -6.274 118 HB2 ARG 14 1HB ARG 14 11.892 1.132 -6.218 119 HB3 ARG 14 2HB ARG 14 11.145 -0.150 -7.161 120 HG2 ARG 14 1HG ARG 14 11.914 2.206 -8.720 121 HG3 ARG 14 2HG ARG 14 13.259 1.348 -7.966 122 HD2 ARG 14 1HD ARG 14 11.900 -0.742 -8.940 123 HD3 ARG 14 2HD ARG 14 11.409 0.485 -10.107 124 HE ARG 14 HE ARG 14 13.527 0.457 -10.976 125 HH11 ARG 14 1HH1 ARG 14 13.544 -1.114 -7.870 126 HH12 ARG 14 2HH1 ARG 14 15.173 -1.685 -8.022 127 HH21 ARG 14 1HH2 ARG 14 15.672 -0.289 -11.188 128 HH22 ARG 14 2HH2 ARG 14 16.382 -1.214 -9.910 129 H GLN 15 H GLN 15 9.893 3.482 -8.872 130 HA GLN 15 HA GLN 15 11.425 5.521 -7.865 131 HB2 GLN 15 1HB GLN 15 8.922 5.657 -9.544 132 HB3 GLN 15 2HB GLN 15 9.933 7.057 -9.212 133 HG2 GLN 15 1HG GLN 15 10.893 6.472 -11.154 134 HG3 GLN 15 2HG GLN 15 11.800 5.366 -10.123 135 HE21 GLN 15 2HE2 GLN 15 11.736 3.278 -10.588 136 HE22 GLN 15 1HE2 GLN 15 10.627 2.522 -11.676 137 H GLN 16 H GLN 16 7.930 5.062 -7.374 138 HA GLN 16 HA GLN 16 7.436 7.294 -5.806 139 HB2 GLN 16 1HB GLN 16 6.163 4.558 -5.631 140 HB3 GLN 16 2HB GLN 16 5.512 6.019 -4.899 141 HG2 GLN 16 1HG GLN 16 4.422 6.439 -6.770 142 HG3 GLN 16 2HG GLN 16 5.964 6.618 -7.606 143 HE21 GLN 16 2HE2 GLN 16 6.545 5.141 -9.076 144 HE22 GLN 16 1HE2 GLN 16 5.656 3.705 -9.438 145 H LEU 17 H LEU 17 8.850 4.208 -4.938 146 HA LEU 17 HA LEU 17 8.857 4.873 -2.107 147 HB2 LEU 17 1HB LEU 17 9.828 2.480 -3.652 148 HB3 LEU 17 2HB LEU 17 10.045 2.662 -1.912 149 HG LEU 17 HG LEU 17 7.272 2.974 -2.788 150 HD11 LEU 17 1HD1 LEU 17 8.449 0.218 -2.972 151 HD12 LEU 17 2HD1 LEU 17 8.228 1.246 -4.387 152 HD13 LEU 17 3HD1 LEU 17 6.833 0.758 -3.425 153 HD21 LEU 17 3HD2 LEU 17 7.976 2.806 -0.448 154 HD22 LEU 17 1HD2 LEU 17 8.617 1.193 -0.759 155 HD23 LEU 17 2HD2 LEU 17 6.884 1.494 -0.895 156 H GLU 18 H GLU 18 10.793 5.442 -4.789 157 HA GLU 18 HA GLU 18 13.365 5.265 -3.566 158 HB2 GLU 18 1HB GLU 18 12.347 6.593 -6.070 159 HB3 GLU 18 2HB GLU 18 14.021 6.745 -5.555 160 HG2 GLU 18 1HG GLU 18 13.796 4.093 -5.440 161 HG3 GLU 18 2HG GLU 18 12.582 4.422 -6.675 162 H ILE 19 H ILE 19 11.051 7.880 -4.112 163 HA ILE 19 HA ILE 19 12.463 10.105 -3.445 164 HB ILE 19 HB ILE 19 9.698 9.530 -2.380 165 HG12 ILE 19 1HG1 ILE 19 9.579 11.076 -4.739 166 HG13 ILE 19 2HG1 ILE 19 10.652 9.725 -5.089 167 HG21 ILE 19 1HG2 ILE 19 11.214 11.637 -1.770 168 HG22 ILE 19 2HG2 ILE 19 10.541 12.216 -3.293 169 HG23 ILE 19 3HG2 ILE 19 9.466 11.751 -1.975 170 HD11 ILE 19 3HD1 ILE 19 8.995 8.170 -4.843 171 HD12 ILE 19 1HD1 ILE 19 8.051 9.186 -3.753 172 HD13 ILE 19 2HD1 ILE 19 8.080 9.535 -5.482 173 H LEU 20 H LEU 20 11.213 7.664 -1.227 174 HA LEU 20 HA LEU 20 12.303 9.110 1.063 175 HB2 LEU 20 1HB LEU 20 11.106 6.443 1.438 176 HB3 LEU 20 2HB LEU 20 10.897 7.922 2.373 177 HG LEU 20 HG LEU 20 8.784 7.433 1.465 178 HD11 LEU 20 1HD1 LEU 20 9.844 9.795 1.089 179 HD12 LEU 20 2HD1 LEU 20 8.280 9.392 0.382 180 HD13 LEU 20 3HD1 LEU 20 9.735 9.346 -0.613 181 HD21 LEU 20 3HD2 LEU 20 9.374 7.422 -1.367 182 HD22 LEU 20 1HD2 LEU 20 8.450 6.271 -0.402 183 HD23 LEU 20 2HD2 LEU 20 10.203 6.114 -0.522 184 H GLU 21 H GLU 21 12.406 5.734 -0.096 185 HA GLU 21 HA GLU 21 14.437 4.752 1.416 186 HB2 GLU 21 1HB GLU 21 13.062 3.837 -0.746 187 HB3 GLU 21 2HB GLU 21 14.669 4.025 -1.433 188 HG2 GLU 21 1HG GLU 21 13.946 2.392 0.989 189 HG3 GLU 21 2HG GLU 21 14.347 1.774 -0.612 190 H THR 22 H THR 22 14.692 7.040 -1.190 191 HA THR 22 HA THR 22 17.601 6.855 -1.249 192 HB THR 22 HB THR 22 15.857 8.775 -2.797 193 HG1 THR 22 HG1 THR 22 15.790 7.239 -4.402 194 HG21 THR 22 3HG2 THR 22 18.696 7.809 -3.119 195 HG22 THR 22 1HG2 THR 22 18.149 9.455 -2.805 196 HG23 THR 22 2HG2 THR 22 17.820 8.699 -4.365 197 H LEU 23 H LEU 23 15.133 9.363 -0.672 198 HA LEU 23 HA LEU 23 17.042 11.243 0.330 199 HB2 LEU 23 1HB LEU 23 14.843 11.787 -0.778 200 HB3 LEU 23 2HB LEU 23 14.058 11.295 0.721 201 HG LEU 23 HG LEU 23 16.115 13.486 0.642 202 HD11 LEU 23 1HD1 LEU 23 13.883 14.891 0.815 203 HD12 LEU 23 2HD1 LEU 23 13.250 13.548 -0.136 204 HD13 LEU 23 3HD1 LEU 23 14.611 14.492 -0.741 205 HD21 LEU 23 3HD2 LEU 23 14.418 12.238 2.651 206 HD22 LEU 23 1HD2 LEU 23 14.255 13.994 2.604 207 HD23 LEU 23 2HD2 LEU 23 15.842 13.262 2.846 208 H PHE 24 H PHE 24 14.251 9.721 1.954 209 HA PHE 24 HA PHE 24 14.790 10.371 4.538 210 HB2 PHE 24 1HB PHE 24 12.785 9.166 3.991 211 HB3 PHE 24 2HB PHE 24 13.708 7.767 3.454 212 HD1 PHE 24 HD1 PHE 24 13.574 9.891 6.524 213 HD2 PHE 24 HD2 PHE 24 13.583 5.972 4.863 214 HE1 PHE 24 HE1 PHE 24 13.429 8.935 8.787 215 HE2 PHE 24 HE2 PHE 24 13.437 5.010 7.123 216 HZ PHE 24 HZ PHE 24 13.359 6.492 9.088 217 H ASN 25 H ASN 25 16.341 7.858 2.631 218 HA ASN 25 HA ASN 25 17.841 6.806 4.846 219 HB2 ASN 25 1HB ASN 25 17.143 5.504 2.776 220 HB3 ASN 25 2HB ASN 25 18.409 6.372 1.913 221 HD21 ASN 25 2HD2 ASN 25 18.003 4.597 4.961 222 HD22 ASN 25 1HD2 ASN 25 19.483 3.713 4.839 223 H GLU 26 H GLU 26 18.532 8.889 2.061 224 HA GLU 26 HA GLU 26 21.264 9.195 2.375 225 HB2 GLU 26 1HB GLU 26 20.075 10.073 0.444 226 HB3 GLU 26 2HB GLU 26 19.230 11.234 1.459 227 HG2 GLU 26 1HG GLU 26 21.174 12.105 0.098 228 HG3 GLU 26 2HG GLU 26 21.164 12.503 1.816 229 H THR 27 H THR 27 18.652 11.082 3.867 230 HA THR 27 HA THR 27 20.033 11.494 6.281 231 HB THR 27 HB THR 27 19.973 14.180 5.640 232 HG1 THR 27 HG1 THR 27 20.198 14.275 3.541 233 HG21 THR 27 3HG2 THR 27 22.182 14.135 6.231 234 HG22 THR 27 1HG2 THR 27 22.527 12.705 5.259 235 HG23 THR 27 2HG2 THR 27 21.705 12.540 6.811 236 H GLN 28 H GLN 28 18.957 13.340 7.584 237 HA GLN 28 HA GLN 28 16.073 13.186 7.059 238 HB2 GLN 28 1HB GLN 28 17.457 13.934 9.637 239 HB3 GLN 28 2HB GLN 28 15.746 13.593 9.416 240 HG2 GLN 28 1HG GLN 28 16.495 11.630 10.326 241 HG3 GLN 28 2HG GLN 28 16.585 11.275 8.602 242 HE21 GLN 28 2HE2 GLN 28 18.156 9.710 8.868 243 HE22 GLN 28 1HE2 GLN 28 19.790 10.094 9.279 244 H TYR 29 H TYR 29 17.495 15.027 5.548 245 HA TYR 29 HA TYR 29 16.779 17.601 6.789 246 HB2 TYR 29 1HB TYR 29 18.721 17.105 4.524 247 HB3 TYR 29 2HB TYR 29 18.399 18.650 5.304 248 HD1 TYR 29 HD1 TYR 29 18.352 17.765 8.160 249 HD2 TYR 29 HD2 TYR 29 21.000 16.780 4.979 250 HE1 TYR 29 HE1 TYR 29 20.136 17.315 9.793 251 HE2 TYR 29 HE2 TYR 29 22.791 16.327 6.602 252 HH TYR 29 HH TYR 29 22.263 15.903 9.853 253 HA PRO 30 HA PRO 30 13.706 16.908 3.401 254 HB2 PRO 30 1HB PRO 30 11.607 17.911 4.802 255 HB3 PRO 30 2HB PRO 30 12.123 16.224 4.919 256 HG2 PRO 30 1HG PRO 30 12.705 18.514 6.757 257 HG3 PRO 30 2HG PRO 30 12.258 16.845 7.156 258 HD2 PRO 30 1HD PRO 30 14.813 17.733 7.260 259 HD3 PRO 30 2HD PRO 30 14.401 16.060 6.832 260 H ASP 31 H ASP 31 15.104 18.663 2.482 261 HA ASP 31 HA ASP 31 13.707 21.250 2.662 262 HB2 ASP 31 1HB ASP 31 16.109 22.116 1.935 263 HB3 ASP 31 2HB ASP 31 15.691 21.879 3.629 264 H VAL 32 H VAL 32 14.439 22.660 0.672 265 HA VAL 32 HA VAL 32 13.319 21.584 -1.610 266 HB VAL 32 HB VAL 32 14.523 23.422 -2.855 267 HG11 VAL 32 1HG1 VAL 32 12.791 23.858 -0.465 268 HG12 VAL 32 2HG1 VAL 32 13.405 25.250 -1.358 269 HG13 VAL 32 3HG1 VAL 32 12.413 24.043 -2.177 270 HG21 VAL 32 3HG2 VAL 32 15.673 23.878 -0.111 271 HG22 VAL 32 1HG2 VAL 32 16.539 23.637 -1.628 272 HG23 VAL 32 2HG2 VAL 32 15.632 25.125 -1.357 273 H PHE 33 H PHE 33 16.754 21.804 -0.745 274 HA PHE 33 HA PHE 33 17.852 20.810 -3.096 275 HB2 PHE 33 1HB PHE 33 18.781 21.465 -0.518 276 HB3 PHE 33 2HB PHE 33 19.310 19.813 -0.820 277 HD1 PHE 33 HD2 PHE 33 19.491 23.287 -2.015 278 HD2 PHE 33 HD1 PHE 33 21.004 19.329 -2.414 279 HE1 PHE 33 HE2 PHE 33 21.346 24.139 -3.388 280 HE2 PHE 33 HE1 PHE 33 22.863 20.174 -3.786 281 HZ PHE 33 HZ PHE 33 23.035 22.582 -4.276 282 H ALA 34 H ALA 34 16.108 19.184 -0.601 283 HA ALA 34 HA ALA 34 17.006 16.543 -1.405 284 HB1 ALA 34 1HB ALA 34 16.083 15.768 0.513 285 HB2 ALA 34 2HB ALA 34 16.233 17.462 0.981 286 HB3 ALA 34 3HB ALA 34 14.687 16.841 0.406 287 H ARG 35 H ARG 35 13.776 18.030 -1.077 288 HA ARG 35 HA ARG 35 12.389 16.160 -2.586 289 HB2 ARG 35 1HB ARG 35 10.681 17.949 -2.893 290 HB3 ARG 35 2HB ARG 35 11.207 17.754 -1.227 291 HG2 ARG 35 1HG ARG 35 12.762 19.680 -1.581 292 HG3 ARG 35 2HG ARG 35 11.994 19.926 -3.150 293 HD2 ARG 35 1HD ARG 35 10.619 21.286 -2.006 294 HD3 ARG 35 2HD ARG 35 9.827 19.785 -1.529 295 HE ARG 35 HE ARG 35 11.703 20.068 0.372 296 HH11 ARG 35 1HH1 ARG 35 9.335 22.266 -0.926 297 HH12 ARG 35 2HH1 ARG 35 9.158 23.153 0.552 298 HH21 ARG 35 1HH2 ARG 35 11.478 21.228 2.323 299 HH22 ARG 35 2HH2 ARG 35 10.378 22.562 2.399 300 H GLU 36 H GLU 36 13.900 19.198 -3.636 301 HA GLU 36 HA GLU 36 13.102 19.077 -6.323 302 HB2 GLU 36 1HB GLU 36 14.066 21.079 -5.187 303 HB3 GLU 36 2HB GLU 36 15.641 20.300 -5.232 304 HG2 GLU 36 1HG GLU 36 15.712 20.383 -7.600 305 HG3 GLU 36 2HG GLU 36 14.021 20.868 -7.696 306 H ARG 37 H ARG 37 15.613 17.432 -4.585 307 HA ARG 37 HA ARG 37 17.129 16.658 -6.889 308 HB2 ARG 37 1HB ARG 37 18.157 16.804 -4.665 309 HB3 ARG 37 2HB ARG 37 17.106 15.517 -4.089 310 HG2 ARG 37 1HG ARG 37 18.196 14.201 -6.098 311 HG3 ARG 37 2HG ARG 37 19.487 15.379 -5.854 312 HD2 ARG 37 1HD ARG 37 19.863 14.668 -3.645 313 HD3 ARG 37 2HD ARG 37 18.332 13.796 -3.579 314 HE ARG 37 HE ARG 37 19.359 11.995 -4.545 315 HH11 ARG 37 1HH1 ARG 37 21.351 14.815 -4.992 316 HH12 ARG 37 2HH1 ARG 37 22.688 13.928 -5.644 317 HH21 ARG 37 1HH2 ARG 37 21.113 10.816 -5.403 318 HH22 ARG 37 2HH2 ARG 37 22.552 11.653 -5.878 319 H VAL 38 H VAL 38 15.215 14.704 -4.593 320 HA VAL 38 HA VAL 38 15.135 12.375 -6.099 321 HB VAL 38 HB VAL 38 12.964 11.908 -4.839 322 HG11 VAL 38 1HG1 VAL 38 15.057 11.060 -4.035 323 HG12 VAL 38 2HG1 VAL 38 15.486 12.630 -3.355 324 HG13 VAL 38 3HG1 VAL 38 14.155 11.702 -2.663 325 HG21 VAL 38 3HG2 VAL 38 12.596 14.469 -4.588 326 HG22 VAL 38 1HG2 VAL 38 12.157 13.395 -3.259 327 HG23 VAL 38 2HG2 VAL 38 13.665 14.307 -3.195 328 H ALA 39 H ALA 39 13.385 15.327 -6.504 329 HA ALA 39 HA ALA 39 11.131 14.465 -7.895 330 HB1 ALA 39 1HB ALA 39 11.990 16.887 -9.072 331 HB2 ALA 39 2HB ALA 39 10.755 16.649 -7.836 332 HB3 ALA 39 3HB ALA 39 12.428 16.944 -7.364 333 H ASP 40 H ASP 40 14.448 14.783 -8.927 334 HA ASP 40 HA ASP 40 13.801 14.457 -11.731 335 HB2 ASP 40 1HB ASP 40 15.779 15.801 -10.723 336 HB3 ASP 40 2HB ASP 40 16.566 14.231 -10.576 337 H GLN 41 H GLN 41 14.359 12.450 -9.046 338 HA GLN 41 HA GLN 41 15.443 10.210 -10.476 339 HB2 GLN 41 1HB GLN 41 14.236 10.452 -7.718 340 HB3 GLN 41 2HB GLN 41 14.944 8.972 -8.352 341 HG2 GLN 41 1HG GLN 41 16.466 11.553 -8.153 342 HG3 GLN 41 2HG GLN 41 16.413 10.362 -6.854 343 HE21 GLN 41 2HE2 GLN 41 16.969 8.089 -7.592 344 HE22 GLN 41 1HE2 GLN 41 18.322 7.939 -8.655 345 H ILE 42 H ILE 42 12.276 10.918 -9.004 346 HA ILE 42 HA ILE 42 11.099 8.642 -10.383 347 HB ILE 42 HB ILE 42 9.185 8.935 -9.060 348 HG12 ILE 42 1HG1 ILE 42 10.179 11.692 -8.310 349 HG13 ILE 42 2HG1 ILE 42 8.934 11.370 -9.511 350 HG21 ILE 42 1HG2 ILE 42 11.257 8.229 -7.842 351 HG22 ILE 42 2HG2 ILE 42 11.409 9.889 -7.269 352 HG23 ILE 42 3HG2 ILE 42 10.000 8.927 -6.821 353 HD11 ILE 42 3HD1 ILE 42 7.821 10.092 -7.490 354 HD12 ILE 42 1HD1 ILE 42 8.811 11.214 -6.556 355 HD13 ILE 42 2HD1 ILE 42 7.631 11.831 -7.713 356 H ARG 43 H ARG 43 11.716 11.839 -11.076 357 HA ARG 43 HA ARG 43 11.113 13.173 -12.822 358 HB2 ARG 43 1HB ARG 43 10.786 10.737 -13.861 359 HB3 ARG 43 2HB ARG 43 9.102 11.241 -13.858 360 HG2 ARG 43 1HG ARG 43 11.394 12.638 -15.220 361 HG3 ARG 43 2HG ARG 43 10.095 11.728 -15.994 362 HD2 ARG 43 1HD ARG 43 8.464 13.343 -15.136 363 HD3 ARG 43 2HD ARG 43 9.769 14.252 -14.375 364 HE ARG 43 HE ARG 43 8.985 14.354 -17.111 365 HH11 ARG 43 1HH1 ARG 43 11.727 14.596 -14.980 366 HH12 ARG 43 2HH1 ARG 43 12.639 15.604 -16.055 367 HH21 ARG 43 1HH2 ARG 43 10.175 15.680 -18.535 368 HH22 ARG 43 2HH2 ARG 43 11.755 16.220 -18.076 369 H LEU 44 H LEU 44 10.008 13.921 -10.599 370 HA LEU 44 HA LEU 44 7.270 14.646 -11.351 371 HB2 LEU 44 1HB LEU 44 7.257 12.741 -9.722 372 HB3 LEU 44 2HB LEU 44 8.036 13.813 -8.560 373 HG LEU 44 HG LEU 44 6.079 15.257 -8.548 374 HD11 LEU 44 1HD1 LEU 44 4.019 14.522 -9.716 375 HD12 LEU 44 2HD1 LEU 44 4.974 13.299 -10.554 376 HD13 LEU 44 3HD1 LEU 44 5.314 15.011 -10.809 377 HD21 LEU 44 3HD2 LEU 44 6.206 13.321 -7.013 378 HD22 LEU 44 1HD2 LEU 44 5.289 12.370 -8.181 379 HD23 LEU 44 2HD2 LEU 44 4.550 13.777 -7.416 380 H GLN 45 H GLN 45 6.449 16.500 -10.035 381 HA GLN 45 HA GLN 45 8.200 18.665 -10.157 382 HB2 GLN 45 1HB GLN 45 5.476 18.184 -9.167 383 HB3 GLN 45 2HB GLN 45 6.308 19.514 -8.373 384 HG2 GLN 45 1HG GLN 45 4.880 19.987 -10.465 385 HG3 GLN 45 2HG GLN 45 6.459 20.755 -10.307 386 HE21 GLN 45 2HE2 GLN 45 4.731 18.091 -11.813 387 HE22 GLN 45 1HE2 GLN 45 5.798 17.917 -13.161 388 H GLU 46 H GLU 46 9.233 19.904 -8.563 389 HA GLU 46 HA GLU 46 10.455 18.404 -6.489 390 HB2 GLU 46 1HB GLU 46 11.476 20.574 -5.838 391 HB3 GLU 46 2HB GLU 46 11.673 20.197 -7.543 392 HG2 GLU 46 1HG GLU 46 9.400 21.629 -7.642 393 HG3 GLU 46 2HG GLU 46 10.175 22.368 -6.242 394 H SER 47 H SER 47 7.974 20.933 -6.510 395 HA SER 47 HA SER 47 7.675 20.901 -3.651 396 HB2 SER 47 1HB SER 47 7.178 22.981 -4.646 397 HB3 SER 47 2HB SER 47 6.182 22.241 -5.899 398 HG SER 47 HG SER 47 5.412 23.195 -3.549 399 H ARG 48 H ARG 48 6.379 19.136 -6.297 400 HA ARG 48 HA ARG 48 3.983 18.288 -4.934 401 HB2 ARG 48 1HB ARG 48 4.134 18.505 -7.416 402 HB3 ARG 48 2HB ARG 48 5.252 17.147 -7.428 403 HG2 ARG 48 1HG ARG 48 3.542 15.753 -7.542 404 HG3 ARG 48 2HG ARG 48 2.962 16.341 -5.982 405 HD2 ARG 48 1HD ARG 48 2.391 18.054 -8.317 406 HD3 ARG 48 2HD ARG 48 1.545 16.508 -8.263 407 HE ARG 48 HE ARG 48 1.408 17.971 -5.798 408 HH11 ARG 48 1HH1 ARG 48 -0.017 17.543 -8.945 409 HH12 ARG 48 2HH1 ARG 48 -1.569 18.149 -8.469 410 HH21 ARG 48 1HH2 ARG 48 -0.630 18.771 -5.158 411 HH22 ARG 48 2HH2 ARG 48 -1.916 18.849 -6.315 412 H ILE 49 H ILE 49 7.094 16.818 -5.811 413 HA ILE 49 HA ILE 49 6.671 14.252 -4.871 414 HB ILE 49 HB ILE 49 8.783 15.460 -5.990 415 HG12 ILE 49 1HG1 ILE 49 8.978 12.986 -4.259 416 HG13 ILE 49 2HG1 ILE 49 8.305 13.028 -5.885 417 HG21 ILE 49 1HG2 ILE 49 9.800 14.959 -3.213 418 HG22 ILE 49 2HG2 ILE 49 10.591 15.797 -4.547 419 HG23 ILE 49 3HG2 ILE 49 9.229 16.550 -3.717 420 HD11 ILE 49 3HD1 ILE 49 10.986 14.148 -5.723 421 HD12 ILE 49 1HD1 ILE 49 10.897 12.456 -5.235 422 HD13 ILE 49 2HD1 ILE 49 10.318 12.946 -6.828 423 H GLN 50 H GLN 50 7.055 17.182 -3.097 424 HA GLN 50 HA GLN 50 8.033 16.266 -0.661 425 HB2 GLN 50 1HB GLN 50 7.002 18.662 -1.653 426 HB3 GLN 50 2HB GLN 50 5.948 18.251 -0.306 427 HG2 GLN 50 1HG GLN 50 7.952 18.011 1.127 428 HG3 GLN 50 2HG GLN 50 8.939 18.564 -0.225 429 HE21 GLN 50 2HE2 GLN 50 8.367 19.693 2.480 430 HE22 GLN 50 1HE2 GLN 50 7.848 21.313 2.181 431 H VAL 51 H VAL 51 4.700 16.368 -1.861 432 HA VAL 51 HA VAL 51 3.501 15.392 0.512 433 HB VAL 51 HB VAL 51 1.506 15.058 -0.781 434 HG11 VAL 51 1HG1 VAL 51 1.309 17.262 -1.914 435 HG12 VAL 51 2HG1 VAL 51 1.994 17.358 -0.291 436 HG13 VAL 51 3HG1 VAL 51 3.046 17.481 -1.701 437 HG21 VAL 51 3HG2 VAL 51 3.387 14.590 -2.925 438 HG22 VAL 51 1HG2 VAL 51 1.686 14.142 -2.802 439 HG23 VAL 51 2HG2 VAL 51 2.136 15.736 -3.406 440 H TRP 52 H TRP 52 5.071 13.852 -2.178 441 HA TRP 52 HA TRP 52 4.035 11.224 -1.547 442 HB2 TRP 52 1HB TRP 52 5.445 12.452 -3.749 443 HB3 TRP 52 2HB TRP 52 6.242 10.957 -3.266 444 HD1 TRP 52 HD1 TRP 52 5.494 9.445 -5.254 445 HE1 TRP 52 HE1 TRP 52 3.220 8.556 -6.070 446 HE3 TRP 52 HE3 TRP 52 2.411 12.334 -2.374 447 HZ2 TRP 52 HZ2 TRP 52 0.483 9.019 -5.561 448 HZ3 TRP 52 HZ3 TRP 52 -0.022 12.049 -2.600 449 HH2 TRP 52 HH2 TRP 52 -0.965 10.425 -4.161 450 H PHE 53 H PHE 53 6.659 13.197 -0.590 451 HA PHE 53 HA PHE 53 8.625 11.308 0.010 452 HB2 PHE 53 1HB PHE 53 9.129 13.667 0.084 453 HB3 PHE 53 2HB PHE 53 7.953 13.923 1.369 454 HD1 PHE 53 HD2 PHE 53 10.853 11.647 0.761 455 HD2 PHE 53 HD1 PHE 53 8.870 14.308 3.425 456 HE1 PHE 53 HE2 PHE 53 12.614 11.275 2.438 457 HE2 PHE 53 HE1 PHE 53 10.629 13.941 5.106 458 HZ PHE 53 HZ PHE 53 12.504 12.422 4.614 459 H LYS 54 H LYS 54 5.574 11.834 1.439 460 HA LYS 54 HA LYS 54 6.271 10.633 3.987 461 HB2 LYS 54 1HB LYS 54 4.327 12.413 3.216 462 HB3 LYS 54 2HB LYS 54 3.421 10.911 3.345 463 HG2 LYS 54 1HG LYS 54 4.926 10.907 5.639 464 HG3 LYS 54 2HG LYS 54 4.528 12.613 5.428 465 HD2 LYS 54 1HD LYS 54 2.311 10.718 4.997 466 HD3 LYS 54 2HD LYS 54 2.914 10.828 6.653 467 HE2 LYS 54 1HE LYS 54 2.611 13.264 6.583 468 HE3 LYS 54 2HE LYS 54 1.980 13.132 4.943 469 HZ1 LYS 54 3HZ LYS 54 0.232 11.635 5.901 470 HZ2 LYS 54 1HZ LYS 54 0.132 13.255 6.378 471 HZ3 LYS 54 2HZ LYS 54 0.763 12.099 7.439 472 H ASN 55 H ASN 55 5.291 9.600 0.902 473 HA ASN 55 HA ASN 55 3.645 7.486 1.170 474 HB2 ASN 55 1HB ASN 55 4.503 7.924 -0.989 475 HB3 ASN 55 2HB ASN 55 6.170 7.727 -0.456 476 HD21 ASN 55 2HD2 ASN 55 6.866 6.097 -1.682 477 HD22 ASN 55 1HD2 ASN 55 6.147 4.527 -1.746 478 H ARG 56 H ARG 56 7.162 6.923 1.273 479 HA ARG 56 HA ARG 56 6.735 4.525 2.848 480 HB2 ARG 56 1HB ARG 56 8.440 4.904 0.895 481 HB3 ARG 56 2HB ARG 56 9.443 5.603 2.158 482 HG2 ARG 56 1HG ARG 56 8.443 3.131 3.115 483 HG3 ARG 56 2HG ARG 56 9.078 2.875 1.489 484 HD2 ARG 56 1HD ARG 56 11.218 3.560 2.081 485 HD3 ARG 56 2HD ARG 56 10.649 4.432 3.504 486 HE ARG 56 HE ARG 56 11.325 1.645 3.334 487 HH11 ARG 56 1HH1 ARG 56 9.473 4.041 5.050 488 HH12 ARG 56 2HH1 ARG 56 9.394 3.120 6.516 489 HH21 ARG 56 1HH2 ARG 56 11.229 0.422 5.258 490 HH22 ARG 56 2HH2 ARG 56 10.395 1.062 6.633 491 H ARG 57 H ARG 57 8.217 7.708 3.221 492 HA ARG 57 HA ARG 57 9.502 7.436 5.633 493 HB2 ARG 57 1HB ARG 57 9.642 9.491 4.383 494 HB3 ARG 57 2HB ARG 57 7.918 9.781 4.578 495 HG2 ARG 57 1HG ARG 57 9.439 9.495 7.078 496 HG3 ARG 57 2HG ARG 57 9.830 10.911 6.101 497 HD2 ARG 57 1HD ARG 57 7.208 11.127 5.976 498 HD3 ARG 57 2HD ARG 57 7.283 10.176 7.459 499 HE ARG 57 HE ARG 57 9.078 12.324 7.660 500 HH11 ARG 57 1HH1 ARG 57 5.656 11.694 7.564 501 HH12 ARG 57 2HH1 ARG 57 5.241 13.086 8.509 502 HH21 ARG 57 1HH2 ARG 57 8.545 14.160 8.904 503 HH22 ARG 57 2HH2 ARG 57 6.885 14.488 9.270 504 H ALA 58 H ALA 58 6.074 7.611 5.005 505 HA ALA 58 HA ALA 58 5.418 7.882 7.824 506 HB1 ALA 58 1HB ALA 58 4.073 9.065 6.153 507 HB2 ALA 58 2HB ALA 58 3.603 7.520 5.442 508 HB3 ALA 58 3HB ALA 58 3.101 7.924 7.084 509 H LYS 59 H LYS 59 5.524 5.421 5.339 510 HA LYS 59 HA LYS 59 3.980 3.435 6.543 511 HB2 LYS 59 1HB LYS 59 5.932 3.605 4.401 512 HB3 LYS 59 2HB LYS 59 6.071 2.087 5.279 513 HG2 LYS 59 1HG LYS 59 4.570 1.941 3.338 514 HG3 LYS 59 2HG LYS 59 3.755 1.578 4.861 515 HD2 LYS 59 1HD LYS 59 2.314 3.256 4.576 516 HD3 LYS 59 2HD LYS 59 3.616 4.398 4.235 517 HE2 LYS 59 1HE LYS 59 3.686 3.300 1.911 518 HE3 LYS 59 2HE LYS 59 2.109 2.634 2.332 519 HZ1 LYS 59 3HZ LYS 59 2.541 5.061 1.211 520 HZ2 LYS 59 1HZ LYS 59 2.328 5.452 2.843 521 HZ3 LYS 59 2HZ LYS 59 1.128 4.595 2.016 522 H TYR 60 H TYR 60 7.068 4.674 7.400 523 HA TYR 60 HA TYR 60 8.316 2.558 8.644 524 HB2 TYR 60 1HB TYR 60 9.676 4.114 9.651 525 HB3 TYR 60 2HB TYR 60 8.966 5.110 8.386 526 HD1 TYR 60 HD1 TYR 60 6.726 6.338 9.091 527 HD2 TYR 60 HD2 TYR 60 9.676 4.926 11.813 528 HE1 TYR 60 HE1 TYR 60 5.907 7.918 10.789 529 HE2 TYR 60 HE2 TYR 60 8.864 6.501 13.519 530 HH TYR 60 HH TYR 60 7.629 8.589 13.657 531 H ARG 61 H ARG 61 5.521 4.360 9.673 532 HA ARG 61 HA ARG 61 5.558 3.362 12.372 533 HB2 ARG 61 1HB ARG 61 3.495 4.535 12.665 534 HB3 ARG 61 2HB ARG 61 4.549 5.558 11.699 535 HG2 ARG 61 1HG ARG 61 3.254 4.274 9.734 536 HG3 ARG 61 2HG ARG 61 2.012 4.240 10.988 537 HD2 ARG 61 1HD ARG 61 3.435 6.687 9.949 538 HD3 ARG 61 2HD ARG 61 1.775 6.217 9.589 539 HE ARG 61 HE ARG 61 2.703 7.568 11.920 540 HH11 ARG 61 1HH1 ARG 61 0.323 5.309 10.756 541 HH12 ARG 61 2HH1 ARG 61 -0.828 5.684 11.995 542 HH21 ARG 61 1HH2 ARG 61 1.195 8.070 13.556 543 HH22 ARG 61 2HH2 ARG 61 -0.332 7.255 13.587 544 H LEU 62 H LEU 62 4.003 2.510 9.343 545 HA LEU 62 HA LEU 62 2.151 0.654 10.427 546 HB2 LEU 62 1HB LEU 62 2.273 1.796 8.082 547 HB3 LEU 62 2HB LEU 62 3.256 0.394 7.664 548 HG LEU 62 HG LEU 62 0.478 0.153 8.797 549 HD11 LEU 62 1HD1 LEU 62 -0.462 0.546 6.817 550 HD12 LEU 62 2HD1 LEU 62 0.764 -0.384 5.957 551 HD13 LEU 62 3HD1 LEU 62 1.064 1.305 6.364 552 HD21 LEU 62 3HD2 LEU 62 1.124 -1.978 8.922 553 HD22 LEU 62 1HD2 LEU 62 2.574 -1.683 7.962 554 HD23 LEU 62 2HD2 LEU 62 1.034 -1.991 7.160 555 H GLN 63 H GLN 63 5.363 0.286 8.959 556 HA GLN 63 HA GLN 63 5.461 -2.531 9.178 557 HB2 GLN 63 1HB GLN 63 7.890 -2.263 8.811 558 HB3 GLN 63 2HB GLN 63 6.930 -1.349 7.654 559 HG2 GLN 63 1HG GLN 63 7.785 0.598 8.312 560 HG3 GLN 63 2HG GLN 63 7.635 0.190 10.020 561 HE21 GLN 63 2HE2 GLN 63 9.339 -0.839 11.065 562 HE22 GLN 63 1HE2 GLN 63 10.932 -0.887 10.397 563 H GLU 64 H GLU 64 5.918 0.005 11.456 564 HA GLU 64 HA GLU 64 7.666 -1.081 13.295 565 HB2 GLU 64 1HB GLU 64 6.362 1.187 13.277 566 HB3 GLU 64 2HB GLU 64 5.181 0.304 14.235 567 HG2 GLU 64 1HG GLU 64 6.677 -0.022 15.997 568 HG3 GLU 64 2HG GLU 64 8.076 0.367 14.998 569 H LYS 65 H LYS 65 4.353 -1.944 12.627 570 HA LYS 65 HA LYS 65 4.445 -3.931 14.800 571 HB2 LYS 65 1HB LYS 65 1.925 -3.980 14.492 572 HB3 LYS 65 2HB LYS 65 2.594 -2.507 15.183 573 HG2 LYS 65 1HG LYS 65 2.233 -2.601 12.243 574 HG3 LYS 65 2HG LYS 65 0.788 -2.473 13.248 575 HD2 LYS 65 1HD LYS 65 3.085 -0.670 13.829 576 HD3 LYS 65 2HD LYS 65 2.083 -0.327 12.416 577 HE2 LYS 65 1HE LYS 65 0.971 -0.755 15.182 578 HE3 LYS 65 2HE LYS 65 1.395 0.831 14.542 579 HZ1 LYS 65 3HZ LYS 65 -0.191 -0.403 12.632 580 HZ2 LYS 65 1HZ LYS 65 -0.603 0.905 13.624 581 HZ3 LYS 65 2HZ LYS 65 -0.953 -0.675 14.118 582 H GLN 66 H GLN 66 4.018 -3.422 11.385 583 HA GLN 66 HA GLN 66 3.081 -6.067 10.809 584 HB2 GLN 66 1HB GLN 66 3.807 -3.658 9.270 585 HB3 GLN 66 2HB GLN 66 4.068 -5.184 8.437 586 HG2 GLN 66 1HG GLN 66 1.482 -4.193 9.611 587 HG3 GLN 66 2HG GLN 66 1.890 -4.323 7.901 588 HE21 GLN 66 2HE2 GLN 66 2.113 -6.411 6.982 589 HE22 GLN 66 1HE2 GLN 66 1.328 -7.777 7.690 590 H LYS 67 H LYS 67 6.065 -4.499 9.661 591 HA LYS 67 HA LYS 67 7.436 -6.803 9.002 592 HB2 LYS 67 1HB LYS 67 8.320 -4.055 9.803 593 HB3 LYS 67 2HB LYS 67 9.521 -5.316 9.558 594 HG2 LYS 67 1HG LYS 67 7.472 -4.541 7.496 595 HG3 LYS 67 2HG LYS 67 9.099 -3.859 7.577 596 HD2 LYS 67 1HD LYS 67 10.070 -6.055 7.258 597 HD3 LYS 67 2HD LYS 67 8.469 -6.797 7.290 598 HE2 LYS 67 1HE LYS 67 7.880 -5.424 5.289 599 HE3 LYS 67 2HE LYS 67 9.559 -4.892 5.223 600 HZ1 LYS 67 3HZ LYS 67 9.426 -7.714 5.393 601 HZ2 LYS 67 1HZ LYS 67 10.119 -6.751 4.187 602 HZ3 LYS 67 2HZ LYS 67 8.483 -7.172 4.096 603 HA PRO 68 HA PRO 68 8.739 -8.764 12.704 604 HB2 PRO 68 1HB PRO 68 11.249 -9.581 12.070 605 HB3 PRO 68 2HB PRO 68 9.796 -10.324 11.390 606 HG2 PRO 68 1HG PRO 68 11.614 -8.271 10.188 607 HG3 PRO 68 2HG PRO 68 10.887 -9.701 9.433 608 HD2 PRO 68 1HD PRO 68 9.888 -7.208 9.091 609 HD3 PRO 68 2HD PRO 68 8.859 -8.655 9.107 Start of MODEL 11 1 H1 GLY 1 H GLY 1 0.926 -0.910 0.215 2 HA2 GLY 1 1HA GLY 1 3.030 -0.875 -1.385 3 HA3 GLY 1 2HA GLY 1 1.444 -0.474 -2.027 4 HA PRO 2 HA PRO 2 4.527 3.088 -2.501 5 HB2 PRO 2 1HB PRO 2 4.750 2.996 -5.205 6 HB3 PRO 2 2HB PRO 2 5.818 2.096 -4.122 7 HG2 PRO 2 1HG PRO 2 3.417 1.145 -5.636 8 HG3 PRO 2 2HG PRO 2 4.988 0.351 -5.415 9 HD2 PRO 2 1HD PRO 2 2.798 -0.324 -3.972 10 HD3 PRO 2 2HD PRO 2 4.443 -0.420 -3.312 11 H ARG 3 H ARG 3 2.393 4.013 -1.796 12 HA ARG 3 HA ARG 3 1.493 5.928 -3.636 13 HB2 ARG 3 1HB ARG 3 -0.912 5.089 -3.781 14 HB3 ARG 3 2HB ARG 3 0.273 4.283 -4.800 15 HG2 ARG 3 1HG ARG 3 0.345 2.392 -3.365 16 HG3 ARG 3 2HG ARG 3 -0.593 3.225 -2.123 17 HD2 ARG 3 1HD ARG 3 -2.497 3.335 -3.708 18 HD3 ARG 3 2HD ARG 3 -1.552 2.388 -4.857 19 HE ARG 3 HE ARG 3 -1.540 0.856 -2.626 20 HH11 ARG 3 1HH1 ARG 3 -4.065 2.376 -4.478 21 HH12 ARG 3 2HH1 ARG 3 -5.248 1.168 -4.100 22 HH21 ARG 3 1HH2 ARG 3 -3.088 -0.742 -2.122 23 HH22 ARG 3 2HH2 ARG 3 -4.692 -0.605 -2.760 24 H LYS 4 H LYS 4 0.509 7.569 -2.580 25 HA LYS 4 HA LYS 4 -0.303 7.067 0.209 26 HB2 LYS 4 1HB LYS 4 1.783 8.543 -0.358 27 HB3 LYS 4 2HB LYS 4 0.582 9.763 -0.757 28 HG2 LYS 4 1HG LYS 4 1.338 10.069 1.507 29 HG3 LYS 4 2HG LYS 4 -0.351 9.557 1.510 30 HD2 LYS 4 1HD LYS 4 1.558 7.343 1.623 31 HD3 LYS 4 2HD LYS 4 1.651 8.436 3.006 32 HE2 LYS 4 1HE LYS 4 -1.052 8.110 2.681 33 HE3 LYS 4 2HE LYS 4 -0.425 6.519 2.255 34 HZ1 LYS 4 3HZ LYS 4 -0.971 6.959 4.684 35 HZ2 LYS 4 1HZ LYS 4 0.433 7.902 4.721 36 HZ3 LYS 4 2HZ LYS 4 0.530 6.255 4.347 37 H ASN 5 H ASN 5 -1.287 8.127 -2.858 38 HA ASN 5 HA ASN 5 -3.926 8.753 -1.850 39 HB2 ASN 5 1HB ASN 5 -2.161 10.808 -3.155 40 HB3 ASN 5 2HB ASN 5 -3.914 10.903 -3.302 41 HD21 ASN 5 2HD2 ASN 5 -5.146 10.941 -1.286 42 HD22 ASN 5 1HD2 ASN 5 -4.461 11.735 0.088 43 H ARG 6 H ARG 6 -2.253 9.533 -4.891 44 HA ARG 6 HA ARG 6 -3.963 7.560 -6.252 45 HB2 ARG 6 1HB ARG 6 -3.267 10.307 -7.308 46 HB3 ARG 6 2HB ARG 6 -4.260 9.101 -8.115 47 HG2 ARG 6 1HG ARG 6 -6.077 9.533 -6.835 48 HG3 ARG 6 2HG ARG 6 -5.114 9.945 -5.414 49 HD2 ARG 6 1HD ARG 6 -4.536 12.088 -6.399 50 HD3 ARG 6 2HD ARG 6 -5.420 11.673 -7.867 51 HE ARG 6 HE ARG 6 -7.067 11.547 -5.538 52 HH11 ARG 6 1HH1 ARG 6 -5.678 13.706 -7.890 53 HH12 ARG 6 2HH1 ARG 6 -6.910 14.910 -7.704 54 HH21 ARG 6 1HH2 ARG 6 -8.694 13.125 -5.284 55 HH22 ARG 6 2HH2 ARG 6 -8.625 14.579 -6.221 56 H ARG 7 H ARG 7 -3.042 7.743 -8.784 57 HA ARG 7 HA ARG 7 -0.384 6.609 -8.527 58 HB2 ARG 7 1HB ARG 7 -0.672 5.884 -10.825 59 HB3 ARG 7 2HB ARG 7 -2.104 5.479 -9.889 60 HG2 ARG 7 1HG ARG 7 -2.992 7.757 -10.806 61 HG3 ARG 7 2HG ARG 7 -1.758 7.506 -12.042 62 HD2 ARG 7 1HD ARG 7 -2.753 5.202 -12.373 63 HD3 ARG 7 2HD ARG 7 -4.098 5.740 -11.367 64 HE ARG 7 HE ARG 7 -3.600 6.438 -14.099 65 HH11 ARG 7 1HH1 ARG 7 -5.055 7.504 -11.121 66 HH12 ARG 7 2HH1 ARG 7 -6.195 8.550 -11.900 67 HH21 ARG 7 1HH2 ARG 7 -5.097 7.811 -15.137 68 HH22 ARG 7 2HH2 ARG 7 -6.219 8.723 -14.185 69 H GLU 8 H GLU 8 1.476 7.423 -9.394 70 HA GLU 8 HA GLU 8 1.296 10.072 -10.672 71 HB2 GLU 8 1HB GLU 8 2.742 9.234 -8.278 72 HB3 GLU 8 2HB GLU 8 3.784 10.011 -9.462 73 HG2 GLU 8 1HG GLU 8 1.269 11.164 -8.278 74 HG3 GLU 8 2HG GLU 8 2.922 11.626 -7.879 75 H ARG 9 H ARG 9 3.994 7.859 -9.993 76 HA ARG 9 HA ARG 9 5.150 8.260 -12.556 77 HB2 ARG 9 1HB ARG 9 6.053 7.301 -10.155 78 HB3 ARG 9 2HB ARG 9 5.956 5.831 -11.114 79 HG2 ARG 9 1HG ARG 9 7.371 8.298 -12.076 80 HG3 ARG 9 2HG ARG 9 8.169 7.045 -11.124 81 HD2 ARG 9 1HD ARG 9 7.710 5.396 -12.810 82 HD3 ARG 9 2HD ARG 9 6.723 6.540 -13.720 83 HE ARG 9 HE ARG 9 9.316 7.584 -13.420 84 HH11 ARG 9 1HH1 ARG 9 7.612 5.048 -15.090 85 HH12 ARG 9 2HH1 ARG 9 8.718 5.004 -16.422 86 HH21 ARG 9 1HH2 ARG 9 10.780 7.535 -15.169 87 HH22 ARG 9 2HH2 ARG 9 10.520 6.418 -16.466 88 H THR 10 H THR 10 3.345 5.575 -11.100 89 HA THR 10 HA THR 10 2.118 4.810 -13.509 90 HB THR 10 HB THR 10 4.488 4.054 -13.983 91 HG1 THR 10 HG1 THR 10 3.006 3.041 -15.215 92 HG21 THR 10 3HG2 THR 10 5.474 2.314 -12.826 93 HG22 THR 10 1HG2 THR 10 3.939 1.727 -12.188 94 HG23 THR 10 2HG2 THR 10 4.671 3.187 -11.521 95 H THR 11 H THR 11 1.512 2.233 -13.206 96 HA THR 11 HA THR 11 -0.393 2.130 -11.228 97 HB THR 11 HB THR 11 0.945 -0.435 -11.961 98 HG1 THR 11 HG1 THR 11 0.981 0.318 -13.974 99 HG21 THR 11 3HG2 THR 11 -1.177 -0.265 -10.616 100 HG22 THR 11 1HG2 THR 11 -1.292 -1.256 -12.069 101 HG23 THR 11 2HG2 THR 11 -1.958 0.377 -12.060 102 H TYR 12 H TYR 12 2.809 0.558 -11.108 103 HA TYR 12 HA TYR 12 3.108 1.154 -8.322 104 HB2 TYR 12 1HB TYR 12 3.388 -1.394 -7.810 105 HB3 TYR 12 2HB TYR 12 1.782 -0.675 -7.794 106 HD1 TYR 12 HD1 TYR 12 4.071 -2.884 -9.627 107 HD2 TYR 12 HD2 TYR 12 0.150 -1.237 -9.483 108 HE1 TYR 12 HE1 TYR 12 3.322 -4.537 -11.287 109 HE2 TYR 12 HE2 TYR 12 -0.610 -2.886 -11.142 110 HH TYR 12 HH TYR 12 0.941 -5.616 -11.866 111 H SER 13 H SER 13 5.148 1.827 -8.405 112 HA SER 13 HA SER 13 7.169 -0.002 -9.491 113 HB2 SER 13 1HB SER 13 6.433 2.484 -10.662 114 HB3 SER 13 2HB SER 13 8.036 2.682 -9.956 115 HG SER 13 HG SER 13 7.223 1.155 -12.103 116 H ARG 14 H ARG 14 9.441 0.849 -8.854 117 HA ARG 14 HA ARG 14 9.426 1.134 -5.986 118 HB2 ARG 14 1HB ARG 14 11.879 0.926 -6.189 119 HB3 ARG 14 2HB ARG 14 11.027 -0.372 -7.015 120 HG2 ARG 14 1HG ARG 14 11.585 1.897 -8.747 121 HG3 ARG 14 2HG ARG 14 13.040 1.168 -8.065 122 HD2 ARG 14 1HD ARG 14 12.714 -0.820 -9.141 123 HD3 ARG 14 2HD ARG 14 10.960 -0.646 -9.160 124 HE ARG 14 HE ARG 14 12.248 1.272 -10.834 125 HH11 ARG 14 1HH1 ARG 14 11.197 -2.042 -10.656 126 HH12 ARG 14 2HH1 ARG 14 11.028 -2.218 -12.371 127 HH21 ARG 14 1HH2 ARG 14 12.029 1.053 -13.094 128 HH22 ARG 14 2HH2 ARG 14 11.503 -0.456 -13.757 129 H GLN 15 H GLN 15 9.680 3.219 -8.689 130 HA GLN 15 HA GLN 15 11.299 5.272 -7.820 131 HB2 GLN 15 1HB GLN 15 8.764 5.321 -9.447 132 HB3 GLN 15 2HB GLN 15 9.714 6.771 -9.149 133 HG2 GLN 15 1HG GLN 15 10.599 6.153 -11.140 134 HG3 GLN 15 2HG GLN 15 11.668 5.255 -10.064 135 HE21 GLN 15 2HE2 GLN 15 9.730 5.055 -12.739 136 HE22 GLN 15 1HE2 GLN 15 9.519 3.342 -12.803 137 H GLN 16 H GLN 16 7.808 4.902 -7.221 138 HA GLN 16 HA GLN 16 7.427 7.187 -5.689 139 HB2 GLN 16 1HB GLN 16 6.056 4.501 -5.523 140 HB3 GLN 16 2HB GLN 16 5.495 5.941 -4.684 141 HG2 GLN 16 1HG GLN 16 4.294 6.415 -6.478 142 HG3 GLN 16 2HG GLN 16 5.805 6.744 -7.324 143 HE21 GLN 16 2HE2 GLN 16 6.567 5.298 -8.809 144 HE22 GLN 16 1HE2 GLN 16 5.666 3.927 -9.350 145 H LEU 17 H LEU 17 8.822 4.108 -4.827 146 HA LEU 17 HA LEU 17 8.856 4.766 -1.993 147 HB2 LEU 17 1HB LEU 17 9.909 2.379 -3.502 148 HB3 LEU 17 2HB LEU 17 9.955 2.561 -1.750 149 HG LEU 17 HG LEU 17 7.287 2.808 -2.973 150 HD11 LEU 17 1HD1 LEU 17 8.087 1.053 -4.381 151 HD12 LEU 17 2HD1 LEU 17 7.064 0.331 -3.139 152 HD13 LEU 17 3HD1 LEU 17 8.820 0.216 -3.013 153 HD21 LEU 17 3HD2 LEU 17 6.607 1.671 -1.017 154 HD22 LEU 17 1HD2 LEU 17 7.869 2.795 -0.512 155 HD23 LEU 17 2HD2 LEU 17 8.239 1.081 -0.702 156 H GLU 18 H GLU 18 10.763 5.335 -4.697 157 HA GLU 18 HA GLU 18 13.347 5.160 -3.497 158 HB2 GLU 18 1HB GLU 18 12.315 6.489 -5.996 159 HB3 GLU 18 2HB GLU 18 13.996 6.614 -5.498 160 HG2 GLU 18 1HG GLU 18 12.858 3.894 -5.624 161 HG3 GLU 18 2HG GLU 18 13.090 4.730 -7.158 162 H ILE 19 H ILE 19 11.016 7.763 -4.018 163 HA ILE 19 HA ILE 19 12.431 9.998 -3.388 164 HB ILE 19 HB ILE 19 9.685 9.415 -2.277 165 HG12 ILE 19 1HG1 ILE 19 9.509 10.951 -4.633 166 HG13 ILE 19 2HG1 ILE 19 10.603 9.623 -5.004 167 HG21 ILE 19 1HG2 ILE 19 9.489 11.606 -1.797 168 HG22 ILE 19 2HG2 ILE 19 11.251 11.555 -1.768 169 HG23 ILE 19 3HG2 ILE 19 10.409 12.108 -3.215 170 HD11 ILE 19 3HD1 ILE 19 8.051 9.005 -3.619 171 HD12 ILE 19 1HD1 ILE 19 8.010 9.402 -5.337 172 HD13 ILE 19 2HD1 ILE 19 8.979 8.042 -4.767 173 H LEU 20 H LEU 20 11.211 7.574 -1.132 174 HA LEU 20 HA LEU 20 12.330 9.034 1.132 175 HB2 LEU 20 1HB LEU 20 11.167 6.355 1.534 176 HB3 LEU 20 2HB LEU 20 10.957 7.835 2.468 177 HG LEU 20 HG LEU 20 8.835 7.323 1.594 178 HD11 LEU 20 1HD1 LEU 20 8.295 9.269 0.500 179 HD12 LEU 20 2HD1 LEU 20 9.747 9.240 -0.501 180 HD13 LEU 20 3HD1 LEU 20 9.858 9.694 1.199 181 HD21 LEU 20 3HD2 LEU 20 8.489 6.144 -0.260 182 HD22 LEU 20 1HD2 LEU 20 10.241 6.016 -0.416 183 HD23 LEU 20 2HD2 LEU 20 9.374 7.308 -1.247 184 H GLU 21 H GLU 21 12.454 5.655 -0.016 185 HA GLU 21 HA GLU 21 14.514 4.697 1.469 186 HB2 GLU 21 1HB GLU 21 13.126 3.771 -0.684 187 HB3 GLU 21 2HB GLU 21 14.729 3.970 -1.379 188 HG2 GLU 21 1HG GLU 21 14.060 2.355 1.072 189 HG3 GLU 21 2HG GLU 21 14.387 1.713 -0.537 190 H THR 22 H THR 22 14.715 6.982 -1.146 191 HA THR 22 HA THR 22 17.625 6.834 -1.229 192 HB THR 22 HB THR 22 15.802 8.679 -2.782 193 HG1 THR 22 HG1 THR 22 16.020 7.135 -4.448 194 HG21 THR 22 3HG2 THR 22 18.715 8.201 -2.704 195 HG22 THR 22 1HG2 THR 22 17.815 9.647 -3.161 196 HG23 THR 22 2HG2 THR 22 17.997 8.320 -4.310 197 H LEU 23 H LEU 23 15.131 9.316 -0.651 198 HA LEU 23 HA LEU 23 17.017 11.231 0.320 199 HB2 LEU 23 1HB LEU 23 14.784 11.721 -0.754 200 HB3 LEU 23 2HB LEU 23 14.041 11.232 0.768 201 HG LEU 23 HG LEU 23 16.048 13.467 0.595 202 HD11 LEU 23 1HD1 LEU 23 13.736 14.772 0.887 203 HD12 LEU 23 2HD1 LEU 23 13.178 13.431 -0.112 204 HD13 LEU 23 3HD1 LEU 23 14.478 14.475 -0.685 205 HD21 LEU 23 3HD2 LEU 23 14.460 12.202 2.690 206 HD22 LEU 23 1HD2 LEU 23 14.286 13.956 2.639 207 HD23 LEU 23 2HD2 LEU 23 15.885 13.234 2.812 208 H PHE 24 H PHE 24 14.283 9.665 1.998 209 HA PHE 24 HA PHE 24 14.858 10.339 4.569 210 HB2 PHE 24 1HB PHE 24 12.861 9.109 4.087 211 HB3 PHE 24 2HB PHE 24 13.782 7.726 3.504 212 HD1 PHE 24 HD1 PHE 24 13.144 9.745 6.557 213 HD2 PHE 24 HD2 PHE 24 14.296 5.981 4.939 214 HE1 PHE 24 HE1 PHE 24 13.079 8.760 8.811 215 HE2 PHE 24 HE2 PHE 24 14.232 4.989 7.190 216 HZ PHE 24 HZ PHE 24 13.622 6.379 9.129 217 H ASN 25 H ASN 25 16.437 7.879 2.630 218 HA ASN 25 HA ASN 25 17.990 6.855 4.832 219 HB2 ASN 25 1HB ASN 25 17.260 5.516 2.796 220 HB3 ASN 25 2HB ASN 25 18.495 6.388 1.892 221 HD21 ASN 25 2HD2 ASN 25 17.871 4.031 4.360 222 HD22 ASN 25 1HD2 ASN 25 19.478 3.404 4.453 223 H GLU 26 H GLU 26 18.562 8.938 2.025 224 HA GLU 26 HA GLU 26 21.299 9.279 2.233 225 HB2 GLU 26 1HB GLU 26 20.024 10.153 0.357 226 HB3 GLU 26 2HB GLU 26 19.205 11.296 1.411 227 HG2 GLU 26 1HG GLU 26 20.953 12.368 0.097 228 HG3 GLU 26 2HG GLU 26 21.290 12.456 1.824 229 H THR 27 H THR 27 18.725 11.128 3.837 230 HA THR 27 HA THR 27 20.196 11.542 6.198 231 HB THR 27 HB THR 27 20.082 14.229 5.583 232 HG1 THR 27 HG1 THR 27 19.844 13.703 3.349 233 HG21 THR 27 3HG2 THR 27 21.888 12.572 6.637 234 HG22 THR 27 1HG2 THR 27 22.302 14.200 6.102 235 HG23 THR 27 2HG2 THR 27 22.639 12.816 5.061 236 H GLN 28 H GLN 28 19.159 13.444 7.509 237 HA GLN 28 HA GLN 28 16.254 13.234 7.111 238 HB2 GLN 28 1HB GLN 28 17.922 13.690 9.581 239 HB3 GLN 28 2HB GLN 28 16.179 13.929 9.559 240 HG2 GLN 28 1HG GLN 28 16.071 11.518 8.678 241 HG3 GLN 28 2HG GLN 28 17.733 11.392 9.253 242 HE21 GLN 28 2HE2 GLN 28 17.993 12.297 11.559 243 HE22 GLN 28 1HE2 GLN 28 16.811 11.764 12.700 244 H TYR 29 H TYR 29 17.621 15.097 5.565 245 HA TYR 29 HA TYR 29 16.933 17.658 6.845 246 HB2 TYR 29 1HB TYR 29 18.802 17.141 4.523 247 HB3 TYR 29 2HB TYR 29 18.461 18.714 5.235 248 HD1 TYR 29 HD1 TYR 29 18.670 18.426 8.035 249 HD2 TYR 29 HD2 TYR 29 20.934 16.438 5.030 250 HE1 TYR 29 HE1 TYR 29 20.505 18.101 9.641 251 HE2 TYR 29 HE2 TYR 29 22.774 16.107 6.628 252 HH TYR 29 HH TYR 29 23.536 16.524 8.671 253 HA PRO 30 HA PRO 30 13.698 16.987 3.618 254 HB2 PRO 30 1HB PRO 30 11.688 18.043 5.107 255 HB3 PRO 30 2HB PRO 30 12.184 16.350 5.225 256 HG2 PRO 30 1HG PRO 30 12.892 18.658 6.994 257 HG3 PRO 30 2HG PRO 30 12.441 17.003 7.442 258 HD2 PRO 30 1HD PRO 30 15.012 17.853 7.403 259 HD3 PRO 30 2HD PRO 30 14.553 16.180 7.023 260 H ASP 31 H ASP 31 15.043 18.695 2.574 261 HA ASP 31 HA ASP 31 13.709 21.311 2.797 262 HB2 ASP 31 1HB ASP 31 16.639 20.682 2.598 263 HB3 ASP 31 2HB ASP 31 16.014 22.214 1.994 264 H VAL 32 H VAL 32 14.241 22.675 0.759 265 HA VAL 32 HA VAL 32 13.034 21.521 -1.443 266 HB VAL 32 HB VAL 32 14.253 23.403 -2.751 267 HG11 VAL 32 1HG1 VAL 32 12.009 23.762 -2.290 268 HG12 VAL 32 2HG1 VAL 32 12.260 23.739 -0.543 269 HG13 VAL 32 3HG1 VAL 32 12.789 25.128 -1.493 270 HG21 VAL 32 3HG2 VAL 32 15.662 24.784 -1.685 271 HG22 VAL 32 1HG2 VAL 32 14.674 24.813 -0.224 272 HG23 VAL 32 2HG2 VAL 32 15.804 23.487 -0.499 273 H PHE 33 H PHE 33 16.470 21.762 -0.665 274 HA PHE 33 HA PHE 33 17.524 20.878 -3.093 275 HB2 PHE 33 1HB PHE 33 18.471 21.169 -0.339 276 HB3 PHE 33 2HB PHE 33 19.260 19.857 -1.207 277 HD1 PHE 33 HD2 PHE 33 18.616 23.481 -1.191 278 HD2 PHE 33 HD1 PHE 33 20.814 20.287 -2.947 279 HE1 PHE 33 HE2 PHE 33 20.090 25.109 -2.301 280 HE2 PHE 33 HE1 PHE 33 22.292 21.910 -4.058 281 HZ PHE 33 HZ PHE 33 21.930 24.324 -3.737 282 H ALA 34 H ALA 34 15.868 19.161 -0.605 283 HA ALA 34 HA ALA 34 16.806 16.556 -1.479 284 HB1 ALA 34 1HB ALA 34 14.506 16.738 0.361 285 HB2 ALA 34 2HB ALA 34 15.956 15.737 0.447 286 HB3 ALA 34 3HB ALA 34 16.024 17.430 0.935 287 H ARG 35 H ARG 35 13.553 17.974 -1.075 288 HA ARG 35 HA ARG 35 12.173 16.110 -2.592 289 HB2 ARG 35 1HB ARG 35 10.438 17.877 -2.856 290 HB3 ARG 35 2HB ARG 35 10.990 17.675 -1.198 291 HG2 ARG 35 1HG ARG 35 12.521 19.625 -1.572 292 HG3 ARG 35 2HG ARG 35 11.705 19.877 -3.116 293 HD2 ARG 35 1HD ARG 35 10.232 21.124 -2.003 294 HD3 ARG 35 2HD ARG 35 9.635 19.624 -1.294 295 HE ARG 35 HE ARG 35 11.688 20.284 0.329 296 HH11 ARG 35 1HH1 ARG 35 8.926 22.048 -0.847 297 HH12 ARG 35 2HH1 ARG 35 8.806 23.052 0.560 298 HH21 ARG 35 1HH2 ARG 35 11.540 21.600 2.185 299 HH22 ARG 35 2HH2 ARG 35 10.293 22.798 2.283 300 H GLU 36 H GLU 36 13.662 19.161 -3.625 301 HA GLU 36 HA GLU 36 12.824 19.047 -6.310 302 HB2 GLU 36 1HB GLU 36 13.706 21.084 -5.223 303 HB3 GLU 36 2HB GLU 36 15.302 20.351 -5.172 304 HG2 GLU 36 1HG GLU 36 15.352 20.273 -7.609 305 HG3 GLU 36 2HG GLU 36 13.747 21.001 -7.666 306 H ARG 37 H ARG 37 15.329 17.403 -4.594 307 HA ARG 37 HA ARG 37 16.865 16.700 -6.921 308 HB2 ARG 37 1HB ARG 37 17.932 16.883 -4.724 309 HB3 ARG 37 2HB ARG 37 16.919 15.582 -4.113 310 HG2 ARG 37 1HG ARG 37 18.057 14.380 -6.256 311 HG3 ARG 37 2HG ARG 37 19.346 15.476 -5.754 312 HD2 ARG 37 1HD ARG 37 18.941 14.570 -3.395 313 HD3 ARG 37 2HD ARG 37 18.026 13.285 -4.182 314 HE ARG 37 HE ARG 37 20.888 13.623 -4.162 315 HH11 ARG 37 1HH1 ARG 37 18.166 12.173 -5.777 316 HH12 ARG 37 2HH1 ARG 37 19.105 10.913 -6.507 317 HH21 ARG 37 1HH2 ARG 37 22.134 11.969 -5.118 318 HH22 ARG 37 2HH2 ARG 37 21.361 10.797 -6.131 319 H VAL 38 H VAL 38 15.053 14.695 -4.587 320 HA VAL 38 HA VAL 38 15.018 12.356 -6.070 321 HB VAL 38 HB VAL 38 12.856 11.854 -4.797 322 HG11 VAL 38 1HG1 VAL 38 14.076 11.691 -2.624 323 HG12 VAL 38 2HG1 VAL 38 14.960 11.034 -4.003 324 HG13 VAL 38 3HG1 VAL 38 15.389 12.616 -3.352 325 HG21 VAL 38 3HG2 VAL 38 11.966 13.351 -3.321 326 HG22 VAL 38 1HG2 VAL 38 13.499 14.187 -3.074 327 HG23 VAL 38 2HG2 VAL 38 12.563 14.475 -4.541 328 H ALA 39 H ALA 39 13.179 15.253 -6.492 329 HA ALA 39 HA ALA 39 10.946 14.316 -7.864 330 HB1 ALA 39 1HB ALA 39 10.493 16.485 -7.904 331 HB2 ALA 39 2HB ALA 39 12.122 16.823 -7.315 332 HB3 ALA 39 3HB ALA 39 11.806 16.762 -9.049 333 H ASP 40 H ASP 40 14.249 14.677 -8.907 334 HA ASP 40 HA ASP 40 13.600 14.320 -11.708 335 HB2 ASP 40 1HB ASP 40 15.555 15.711 -10.719 336 HB3 ASP 40 2HB ASP 40 16.372 14.158 -10.559 337 H GLN 41 H GLN 41 14.176 12.347 -9.009 338 HA GLN 41 HA GLN 41 15.304 10.113 -10.425 339 HB2 GLN 41 1HB GLN 41 14.166 10.429 -7.650 340 HB3 GLN 41 2HB GLN 41 14.765 8.894 -8.262 341 HG2 GLN 41 1HG GLN 41 16.515 11.304 -8.369 342 HG3 GLN 41 2HG GLN 41 16.304 10.439 -6.847 343 HE21 GLN 41 2HE2 GLN 41 17.075 8.333 -6.657 344 HE22 GLN 41 1HE2 GLN 41 18.226 7.675 -7.766 345 H ILE 42 H ILE 42 12.137 10.790 -8.941 346 HA ILE 42 HA ILE 42 10.987 8.477 -10.285 347 HB ILE 42 HB ILE 42 9.080 8.749 -8.948 348 HG12 ILE 42 1HG1 ILE 42 10.034 11.521 -8.202 349 HG13 ILE 42 2HG1 ILE 42 8.808 11.187 -9.420 350 HG21 ILE 42 1HG2 ILE 42 9.913 8.736 -6.728 351 HG22 ILE 42 2HG2 ILE 42 11.201 8.104 -7.754 352 HG23 ILE 42 3HG2 ILE 42 11.278 9.764 -7.162 353 HD11 ILE 42 3HD1 ILE 42 7.638 9.917 -7.463 354 HD12 ILE 42 1HD1 ILE 42 8.655 10.951 -6.460 355 HD13 ILE 42 2HD1 ILE 42 7.516 11.671 -7.598 356 H ARG 43 H ARG 43 11.552 11.669 -11.022 357 HA ARG 43 HA ARG 43 10.907 12.981 -12.770 358 HB2 ARG 43 1HB ARG 43 10.618 10.535 -13.788 359 HB3 ARG 43 2HB ARG 43 8.922 10.999 -13.766 360 HG2 ARG 43 1HG ARG 43 11.160 12.446 -15.165 361 HG3 ARG 43 2HG ARG 43 9.882 11.490 -15.919 362 HD2 ARG 43 1HD ARG 43 8.210 13.062 -15.062 363 HD3 ARG 43 2HD ARG 43 9.492 14.016 -14.317 364 HE ARG 43 HE ARG 43 8.703 14.044 -17.063 365 HH11 ARG 43 1HH1 ARG 43 11.390 14.496 -14.896 366 HH12 ARG 43 2HH1 ARG 43 12.249 15.549 -15.971 367 HH21 ARG 43 1HH2 ARG 43 9.824 15.430 -18.487 368 HH22 ARG 43 2HH2 ARG 43 11.356 16.081 -18.013 369 H LEU 44 H LEU 44 9.818 13.764 -10.568 370 HA LEU 44 HA LEU 44 7.059 14.422 -11.292 371 HB2 LEU 44 1HB LEU 44 7.100 12.537 -9.636 372 HB3 LEU 44 2HB LEU 44 7.862 13.643 -8.496 373 HG LEU 44 HG LEU 44 5.877 15.037 -8.477 374 HD11 LEU 44 1HD1 LEU 44 4.795 13.061 -10.478 375 HD12 LEU 44 2HD1 LEU 44 5.122 14.773 -10.744 376 HD13 LEU 44 3HD1 LEU 44 3.831 14.283 -9.648 377 HD21 LEU 44 3HD2 LEU 44 4.386 13.543 -7.330 378 HD22 LEU 44 1HD2 LEU 44 6.047 13.081 -6.956 379 HD23 LEU 44 2HD2 LEU 44 5.112 12.142 -8.120 380 H GLN 45 H GLN 45 6.219 16.271 -9.969 381 HA GLN 45 HA GLN 45 7.902 18.477 -10.159 382 HB2 GLN 45 1HB GLN 45 5.215 17.940 -9.238 383 HB3 GLN 45 2HB GLN 45 5.999 19.130 -8.207 384 HG2 GLN 45 1HG GLN 45 6.459 20.538 -10.107 385 HG3 GLN 45 2HG GLN 45 5.811 19.319 -11.204 386 HE21 GLN 45 2HE2 GLN 45 4.976 21.498 -8.570 387 HE22 GLN 45 1HE2 GLN 45 3.312 21.676 -9.000 388 H GLU 46 H GLU 46 8.904 19.794 -8.579 389 HA GLU 46 HA GLU 46 10.294 18.336 -6.573 390 HB2 GLU 46 1HB GLU 46 11.243 20.549 -5.957 391 HB3 GLU 46 2HB GLU 46 11.386 20.182 -7.671 392 HG2 GLU 46 1HG GLU 46 9.053 21.512 -7.678 393 HG3 GLU 46 2HG GLU 46 9.843 22.282 -6.302 394 H SER 47 H SER 47 7.708 20.757 -6.479 395 HA SER 47 HA SER 47 7.524 20.655 -3.603 396 HB2 SER 47 1HB SER 47 6.974 22.763 -4.485 397 HB3 SER 47 2HB SER 47 5.975 22.070 -5.762 398 HG SER 47 HG SER 47 4.511 22.731 -4.320 399 H ARG 48 H ARG 48 6.160 18.968 -6.265 400 HA ARG 48 HA ARG 48 3.796 18.073 -4.893 401 HB2 ARG 48 1HB ARG 48 3.869 18.294 -7.350 402 HB3 ARG 48 2HB ARG 48 5.088 17.029 -7.419 403 HG2 ARG 48 1HG ARG 48 3.553 15.428 -7.351 404 HG3 ARG 48 2HG ARG 48 2.745 16.165 -5.965 405 HD2 ARG 48 1HD ARG 48 1.099 16.264 -7.577 406 HD3 ARG 48 2HD ARG 48 1.848 17.853 -7.729 407 HE ARG 48 HE ARG 48 3.210 16.355 -9.521 408 HH11 ARG 48 1HH1 ARG 48 -0.179 16.913 -8.954 409 HH12 ARG 48 2HH1 ARG 48 -0.625 16.704 -10.615 410 HH21 ARG 48 1HH2 ARG 48 2.635 16.077 -11.711 411 HH22 ARG 48 2HH2 ARG 48 0.976 16.227 -12.182 412 H ILE 49 H ILE 49 6.907 16.619 -5.802 413 HA ILE 49 HA ILE 49 6.524 14.046 -4.895 414 HB ILE 49 HB ILE 49 8.629 15.288 -5.962 415 HG12 ILE 49 1HG1 ILE 49 8.861 12.834 -4.206 416 HG13 ILE 49 2HG1 ILE 49 8.212 12.844 -5.842 417 HG21 ILE 49 1HG2 ILE 49 10.415 15.647 -4.477 418 HG22 ILE 49 2HG2 ILE 49 9.026 16.428 -3.725 419 HG23 ILE 49 3HG2 ILE 49 9.574 14.856 -3.144 420 HD11 ILE 49 3HD1 ILE 49 10.239 12.811 -6.756 421 HD12 ILE 49 1HD1 ILE 49 10.860 14.036 -5.650 422 HD13 ILE 49 2HD1 ILE 49 10.806 12.344 -5.153 423 H GLN 50 H GLN 50 6.915 16.955 -3.056 424 HA GLN 50 HA GLN 50 7.831 16.010 -0.623 425 HB2 GLN 50 1HB GLN 50 6.712 18.397 -1.593 426 HB3 GLN 50 2HB GLN 50 5.720 17.936 -0.216 427 HG2 GLN 50 1HG GLN 50 7.713 17.803 1.184 428 HG3 GLN 50 2HG GLN 50 8.712 18.255 -0.196 429 HE21 GLN 50 2HE2 GLN 50 8.332 19.576 2.389 430 HE22 GLN 50 1HE2 GLN 50 7.798 21.179 2.026 431 H VAL 51 H VAL 51 4.551 15.971 -1.937 432 HA VAL 51 HA VAL 51 3.273 15.011 0.396 433 HB VAL 51 HB VAL 51 1.363 14.602 -0.946 434 HG11 VAL 51 1HG1 VAL 51 1.013 16.754 -1.407 435 HG12 VAL 51 2HG1 VAL 51 2.710 17.022 -1.006 436 HG13 VAL 51 3HG1 VAL 51 2.231 16.754 -2.682 437 HG21 VAL 51 3HG2 VAL 51 1.823 14.881 -3.569 438 HG22 VAL 51 1HG2 VAL 51 3.361 14.167 -3.082 439 HG23 VAL 51 2HG2 VAL 51 1.851 13.319 -2.751 440 H TRP 52 H TRP 52 4.980 13.439 -2.214 441 HA TRP 52 HA TRP 52 4.083 10.794 -1.465 442 HB2 TRP 52 1HB TRP 52 5.304 11.970 -3.747 443 HB3 TRP 52 2HB TRP 52 6.382 10.705 -3.163 444 HD1 TRP 52 HD1 TRP 52 5.565 8.194 -3.385 445 HE1 TRP 52 HE1 TRP 52 3.639 7.095 -4.692 446 HE3 TRP 52 HE3 TRP 52 2.862 12.382 -4.523 447 HZ2 TRP 52 HZ2 TRP 52 1.285 7.897 -6.028 448 HZ3 TRP 52 HZ3 TRP 52 0.785 12.129 -5.819 449 HH2 TRP 52 HH2 TRP 52 0.016 9.932 -6.555 450 H PHE 53 H PHE 53 6.595 12.942 -0.583 451 HA PHE 53 HA PHE 53 8.653 11.197 0.119 452 HB2 PHE 53 1HB PHE 53 8.984 13.601 0.102 453 HB3 PHE 53 2HB PHE 53 7.818 13.804 1.405 454 HD1 PHE 53 HD2 PHE 53 10.770 11.583 0.860 455 HD2 PHE 53 HD1 PHE 53 8.829 14.430 3.359 456 HE1 PHE 53 HE2 PHE 53 12.584 11.368 2.509 457 HE2 PHE 53 HE1 PHE 53 10.640 14.220 5.011 458 HZ PHE 53 HZ PHE 53 12.520 12.687 4.587 459 H LYS 54 H LYS 54 5.564 11.639 1.522 460 HA LYS 54 HA LYS 54 6.316 10.516 4.094 461 HB2 LYS 54 1HB LYS 54 4.375 12.277 3.379 462 HB3 LYS 54 2HB LYS 54 3.455 10.779 3.416 463 HG2 LYS 54 1HG LYS 54 4.917 10.678 5.747 464 HG3 LYS 54 2HG LYS 54 4.492 12.385 5.600 465 HD2 LYS 54 1HD LYS 54 2.317 10.483 5.027 466 HD3 LYS 54 2HD LYS 54 2.883 10.508 6.699 467 HE2 LYS 54 1HE LYS 54 2.334 13.090 5.312 468 HE3 LYS 54 2HE LYS 54 0.977 12.125 5.891 469 HZ1 LYS 54 3HZ LYS 54 1.345 13.240 7.785 470 HZ2 LYS 54 1HZ LYS 54 2.941 13.637 7.386 471 HZ3 LYS 54 2HZ LYS 54 2.584 12.113 8.026 472 H ASN 55 H ASN 55 5.301 9.414 1.041 473 HA ASN 55 HA ASN 55 3.698 7.277 1.375 474 HB2 ASN 55 1HB ASN 55 4.519 7.704 -0.806 475 HB3 ASN 55 2HB ASN 55 6.195 7.520 -0.297 476 HD21 ASN 55 2HD2 ASN 55 3.306 5.523 0.185 477 HD22 ASN 55 1HD2 ASN 55 3.975 4.087 -0.504 478 H ARG 56 H ARG 56 7.227 6.781 1.430 479 HA ARG 56 HA ARG 56 6.872 4.398 3.043 480 HB2 ARG 56 1HB ARG 56 8.548 4.801 1.062 481 HB3 ARG 56 2HB ARG 56 9.551 5.517 2.317 482 HG2 ARG 56 1HG ARG 56 8.604 3.038 3.296 483 HG3 ARG 56 2HG ARG 56 9.205 2.778 1.657 484 HD2 ARG 56 1HD ARG 56 11.352 3.380 2.203 485 HD3 ARG 56 2HD ARG 56 10.836 4.413 3.535 486 HE ARG 56 HE ARG 56 10.215 1.764 4.183 487 HH11 ARG 56 1HH1 ARG 56 13.002 3.791 3.691 488 HH12 ARG 56 2HH1 ARG 56 14.010 2.893 4.778 489 HH21 ARG 56 1HH2 ARG 56 11.531 0.573 5.616 490 HH22 ARG 56 2HH2 ARG 56 13.172 1.062 5.871 491 H ARG 57 H ARG 57 8.311 7.610 3.352 492 HA ARG 57 HA ARG 57 9.624 7.400 5.751 493 HB2 ARG 57 1HB ARG 57 9.707 9.440 4.475 494 HB3 ARG 57 2HB ARG 57 7.980 9.696 4.684 495 HG2 ARG 57 1HG ARG 57 9.530 9.477 7.172 496 HG3 ARG 57 2HG ARG 57 9.882 10.888 6.172 497 HD2 ARG 57 1HD ARG 57 7.248 11.035 6.072 498 HD3 ARG 57 2HD ARG 57 7.371 10.123 7.576 499 HE ARG 57 HE ARG 57 9.086 12.398 7.573 500 HH11 ARG 57 1HH1 ARG 57 5.782 11.387 8.004 501 HH12 ARG 57 2HH1 ARG 57 5.371 12.722 9.029 502 HH21 ARG 57 1HH2 ARG 57 8.556 14.160 8.922 503 HH22 ARG 57 2HH2 ARG 57 6.949 14.299 9.550 504 H ALA 58 H ALA 58 6.186 7.496 5.167 505 HA ALA 58 HA ALA 58 5.561 7.791 7.991 506 HB1 ALA 58 1HB ALA 58 4.171 8.921 6.317 507 HB2 ALA 58 2HB ALA 58 3.720 7.355 5.642 508 HB3 ALA 58 3HB ALA 58 3.235 7.780 7.283 509 H LYS 59 H LYS 59 5.644 5.302 5.525 510 HA LYS 59 HA LYS 59 4.174 3.303 6.790 511 HB2 LYS 59 1HB LYS 59 6.070 3.483 4.601 512 HB3 LYS 59 2HB LYS 59 6.266 1.982 5.496 513 HG2 LYS 59 1HG LYS 59 4.725 1.759 3.602 514 HG3 LYS 59 2HG LYS 59 3.944 1.423 5.149 515 HD2 LYS 59 1HD LYS 59 2.453 3.041 4.812 516 HD3 LYS 59 2HD LYS 59 3.730 4.219 4.500 517 HE2 LYS 59 1HE LYS 59 3.744 3.761 2.204 518 HE3 LYS 59 2HE LYS 59 2.883 2.237 2.412 519 HZ1 LYS 59 3HZ LYS 59 0.883 3.382 2.876 520 HZ2 LYS 59 1HZ LYS 59 1.535 4.113 1.497 521 HZ3 LYS 59 2HZ LYS 59 1.667 4.876 3.000 522 H TYR 60 H TYR 60 7.249 4.614 7.572 523 HA TYR 60 HA TYR 60 8.574 2.541 8.807 524 HB2 TYR 60 1HB TYR 60 9.909 4.139 9.782 525 HB3 TYR 60 2HB TYR 60 9.148 5.109 8.525 526 HD1 TYR 60 HD1 TYR 60 6.904 6.296 9.258 527 HD2 TYR 60 HD2 TYR 60 9.910 4.944 11.948 528 HE1 TYR 60 HE1 TYR 60 6.074 7.862 10.964 529 HE2 TYR 60 HE2 TYR 60 9.087 6.505 13.662 530 HH TYR 60 HH TYR 60 7.326 9.047 13.138 531 H ARG 61 H ARG 61 5.754 4.280 9.883 532 HA ARG 61 HA ARG 61 5.868 3.234 12.573 533 HB2 ARG 61 1HB ARG 61 3.921 4.494 13.000 534 HB3 ARG 61 2HB ARG 61 4.868 5.478 11.891 535 HG2 ARG 61 1HG ARG 61 3.434 4.362 10.052 536 HG3 ARG 61 2HG ARG 61 2.348 3.958 11.383 537 HD2 ARG 61 1HD ARG 61 1.656 6.037 10.357 538 HD3 ARG 61 2HD ARG 61 2.243 6.340 11.992 539 HE ARG 61 HE ARG 61 4.357 6.681 10.172 540 HH11 ARG 61 1HH1 ARG 61 1.370 8.187 11.136 541 HH12 ARG 61 2HH1 ARG 61 1.881 9.783 10.695 542 HH21 ARG 61 1HH2 ARG 61 5.041 8.777 9.588 543 HH22 ARG 61 2HH2 ARG 61 3.969 10.117 9.814 544 H LEU 62 H LEU 62 4.253 2.481 9.557 545 HA LEU 62 HA LEU 62 2.398 0.619 10.662 546 HB2 LEU 62 1HB LEU 62 2.472 1.876 8.342 547 HB3 LEU 62 2HB LEU 62 3.319 0.415 7.839 548 HG LEU 62 HG LEU 62 0.980 0.248 7.273 549 HD11 LEU 62 1HD1 LEU 62 2.375 -1.700 8.345 550 HD12 LEU 62 2HD1 LEU 62 0.657 -1.899 7.999 551 HD13 LEU 62 3HD1 LEU 62 1.190 -1.542 9.642 552 HD21 LEU 62 3HD2 LEU 62 -0.735 0.824 8.607 553 HD22 LEU 62 1HD2 LEU 62 0.492 1.745 9.476 554 HD23 LEU 62 2HD2 LEU 62 0.021 0.145 10.049 555 H GLN 63 H GLN 63 5.605 0.359 9.213 556 HA GLN 63 HA GLN 63 5.658 -2.494 9.223 557 HB2 GLN 63 1HB GLN 63 8.097 -2.197 8.804 558 HB3 GLN 63 2HB GLN 63 7.074 -1.315 7.679 559 HG2 GLN 63 1HG GLN 63 7.766 0.704 8.412 560 HG3 GLN 63 2HG GLN 63 7.959 0.158 10.077 561 HE21 GLN 63 2HE2 GLN 63 9.396 -0.074 6.860 562 HE22 GLN 63 1HE2 GLN 63 11.027 -0.239 7.406 563 H GLU 64 H GLU 64 6.380 -0.023 11.545 564 HA GLU 64 HA GLU 64 8.095 -1.428 13.255 565 HB2 GLU 64 1HB GLU 64 7.322 1.068 13.270 566 HB3 GLU 64 2HB GLU 64 6.041 0.477 14.318 567 HG2 GLU 64 1HG GLU 64 7.767 1.275 15.718 568 HG3 GLU 64 2HG GLU 64 7.816 -0.485 15.797 569 H LYS 65 H LYS 65 4.575 -0.947 13.592 570 HA LYS 65 HA LYS 65 4.281 -2.804 15.699 571 HB2 LYS 65 1HB LYS 65 2.627 -1.073 15.327 572 HB3 LYS 65 2HB LYS 65 2.262 -1.715 13.731 573 HG2 LYS 65 1HG LYS 65 1.883 -3.842 15.510 574 HG3 LYS 65 2HG LYS 65 1.158 -2.429 16.279 575 HD2 LYS 65 1HD LYS 65 -0.306 -2.065 14.479 576 HD3 LYS 65 2HD LYS 65 0.623 -3.112 13.402 577 HE2 LYS 65 1HE LYS 65 -0.430 -4.959 14.111 578 HE3 LYS 65 2HE LYS 65 -0.353 -4.465 15.801 579 HZ1 LYS 65 3HZ LYS 65 -2.177 -2.776 14.947 580 HZ2 LYS 65 1HZ LYS 65 -2.576 -4.330 15.484 581 HZ3 LYS 65 2HZ LYS 65 -2.453 -4.013 13.827 582 H GLN 66 H GLN 66 4.023 -3.094 12.199 583 HA GLN 66 HA GLN 66 2.920 -5.684 12.120 584 HB2 GLN 66 1HB GLN 66 4.387 -3.943 10.195 585 HB3 GLN 66 2HB GLN 66 4.223 -5.651 9.807 586 HG2 GLN 66 1HG GLN 66 1.909 -3.847 10.465 587 HG3 GLN 66 2HG GLN 66 2.467 -4.189 8.828 588 HE21 GLN 66 2HE2 GLN 66 2.353 -6.374 8.075 589 HE22 GLN 66 1HE2 GLN 66 1.166 -7.452 8.719 590 H LYS 67 H LYS 67 6.257 -4.846 11.201 591 HA LYS 67 HA LYS 67 7.189 -7.501 11.630 592 HB2 LYS 67 1HB LYS 67 8.397 -4.898 10.860 593 HB3 LYS 67 2HB LYS 67 9.479 -6.109 11.536 594 HG2 LYS 67 1HG LYS 67 8.996 -7.643 9.803 595 HG3 LYS 67 2HG LYS 67 7.634 -6.676 9.233 596 HD2 LYS 67 1HD LYS 67 9.179 -5.994 7.714 597 HD3 LYS 67 2HD LYS 67 9.568 -4.849 8.999 598 HE2 LYS 67 1HE LYS 67 11.479 -5.995 9.619 599 HE3 LYS 67 2HE LYS 67 10.917 -7.514 8.923 600 HZ1 LYS 67 3HZ LYS 67 12.408 -5.385 7.702 601 HZ2 LYS 67 1HZ LYS 67 11.075 -5.867 6.778 602 HZ3 LYS 67 2HZ LYS 67 12.247 -7.001 7.228 603 HA PRO 68 HA PRO 68 8.345 -7.514 15.862 604 HB2 PRO 68 1HB PRO 68 10.723 -8.822 15.820 605 HB3 PRO 68 2HB PRO 68 9.178 -9.630 15.533 606 HG2 PRO 68 1HG PRO 68 11.207 -8.666 13.554 607 HG3 PRO 68 2HG PRO 68 10.296 -10.188 13.572 608 HD2 PRO 68 1HD PRO 68 9.601 -8.093 12.004 609 HD3 PRO 68 2HD PRO 68 8.405 -9.212 12.686 Start of MODEL 12 1 H1 GLY 1 H GLY 1 4.596 -0.840 -0.793 2 HA2 GLY 1 1HA GLY 1 2.023 -0.831 -1.780 3 HA3 GLY 1 2HA GLY 1 1.891 -0.193 -0.147 4 HA PRO 2 HA PRO 2 4.720 2.916 -2.535 5 HB2 PRO 2 1HB PRO 2 4.995 2.517 -5.206 6 HB3 PRO 2 2HB PRO 2 6.090 1.812 -4.012 7 HG2 PRO 2 1HG PRO 2 3.771 0.557 -5.429 8 HG3 PRO 2 2HG PRO 2 5.377 -0.117 -5.098 9 HD2 PRO 2 1HD PRO 2 3.202 -0.736 -3.609 10 HD3 PRO 2 2HD PRO 2 4.838 -0.663 -2.924 11 H ARG 3 H ARG 3 2.491 3.751 -1.963 12 HA ARG 3 HA ARG 3 1.544 5.441 -3.977 13 HB2 ARG 3 1HB ARG 3 0.541 3.570 -5.054 14 HB3 ARG 3 2HB ARG 3 -0.085 2.943 -3.535 15 HG2 ARG 3 1HG ARG 3 -1.023 5.633 -4.211 16 HG3 ARG 3 2HG ARG 3 -1.519 4.372 -5.341 17 HD2 ARG 3 1HD ARG 3 -2.115 3.075 -3.141 18 HD3 ARG 3 2HD ARG 3 -2.162 4.695 -2.447 19 HE ARG 3 HE ARG 3 -3.695 4.400 -4.867 20 HH11 ARG 3 1HH1 ARG 3 -3.709 4.130 -1.397 21 HH12 ARG 3 2HH1 ARG 3 -5.427 4.309 -1.259 22 HH21 ARG 3 1HH2 ARG 3 -5.958 4.638 -4.699 23 HH22 ARG 3 2HH2 ARG 3 -6.705 4.597 -3.138 24 H LYS 4 H LYS 4 1.132 7.128 -2.718 25 HA LYS 4 HA LYS 4 -0.239 6.693 -0.155 26 HB2 LYS 4 1HB LYS 4 2.032 7.863 -0.262 27 HB3 LYS 4 2HB LYS 4 1.182 9.211 -1.006 28 HG2 LYS 4 1HG LYS 4 1.475 9.583 1.369 29 HG3 LYS 4 2HG LYS 4 -0.237 9.411 0.974 30 HD2 LYS 4 1HD LYS 4 -0.267 7.163 1.806 31 HD3 LYS 4 2HD LYS 4 1.486 7.165 2.014 32 HE2 LYS 4 1HE LYS 4 0.571 9.377 3.450 33 HE3 LYS 4 2HE LYS 4 -0.583 8.091 3.800 34 HZ1 LYS 4 3HZ LYS 4 1.091 7.869 5.394 35 HZ2 LYS 4 1HZ LYS 4 2.336 8.108 4.274 36 HZ3 LYS 4 2HZ LYS 4 1.447 6.670 4.255 37 H ASN 5 H ASN 5 -0.452 8.315 -3.227 38 HA ASN 5 HA ASN 5 -3.218 9.017 -2.643 39 HB2 ASN 5 1HB ASN 5 -1.257 10.957 -2.426 40 HB3 ASN 5 2HB ASN 5 -1.872 11.190 -4.060 41 HD21 ASN 5 2HD2 ASN 5 -2.120 12.922 -1.757 42 HD22 ASN 5 1HD2 ASN 5 -3.813 13.131 -1.481 43 H ARG 6 H ARG 6 -3.673 10.544 -4.949 44 HA ARG 6 HA ARG 6 -4.367 8.750 -6.846 45 HB2 ARG 6 1HB ARG 6 -4.171 10.620 -8.521 46 HB3 ARG 6 2HB ARG 6 -5.083 11.012 -7.070 47 HG2 ARG 6 1HG ARG 6 -2.572 11.792 -6.366 48 HG3 ARG 6 2HG ARG 6 -2.594 12.150 -8.094 49 HD2 ARG 6 1HD ARG 6 -5.068 13.004 -7.039 50 HD3 ARG 6 2HD ARG 6 -3.815 13.578 -5.939 51 HE ARG 6 HE ARG 6 -3.114 15.040 -7.555 52 HH11 ARG 6 1HH1 ARG 6 -5.190 12.647 -8.999 53 HH12 ARG 6 2HH1 ARG 6 -5.270 13.452 -10.532 54 HH21 ARG 6 1HH2 ARG 6 -3.211 16.109 -9.568 55 HH22 ARG 6 2HH2 ARG 6 -4.143 15.420 -10.854 56 H ARG 7 H ARG 7 -3.488 7.848 -8.705 57 HA ARG 7 HA ARG 7 -0.895 6.919 -8.616 58 HB2 ARG 7 1HB ARG 7 -2.898 7.193 -10.821 59 HB3 ARG 7 2HB ARG 7 -1.263 6.674 -11.208 60 HG2 ARG 7 1HG ARG 7 -2.374 4.675 -10.921 61 HG3 ARG 7 2HG ARG 7 -1.631 4.926 -9.340 62 HD2 ARG 7 1HD ARG 7 -3.746 5.872 -8.518 63 HD3 ARG 7 2HD ARG 7 -4.480 5.569 -10.092 64 HE ARG 7 HE ARG 7 -4.017 3.660 -8.009 65 HH11 ARG 7 1HH1 ARG 7 -4.348 4.081 -11.449 66 HH12 ARG 7 2HH1 ARG 7 -4.860 2.450 -11.730 67 HH21 ARG 7 1HH2 ARG 7 -4.691 1.510 -8.367 68 HH22 ARG 7 2HH2 ARG 7 -5.056 0.989 -9.977 69 H GLU 8 H GLU 8 1.043 7.482 -9.594 70 HA GLU 8 HA GLU 8 1.165 10.136 -10.852 71 HB2 GLU 8 1HB GLU 8 1.880 10.525 -8.607 72 HB3 GLU 8 2HB GLU 8 2.895 9.091 -8.614 73 HG2 GLU 8 1HG GLU 8 4.039 11.352 -8.830 74 HG3 GLU 8 2HG GLU 8 4.508 10.087 -9.964 75 H ARG 9 H ARG 9 3.659 7.779 -9.943 76 HA ARG 9 HA ARG 9 4.888 7.953 -12.521 77 HB2 ARG 9 1HB ARG 9 5.744 7.233 -10.009 78 HB3 ARG 9 2HB ARG 9 5.679 5.685 -10.842 79 HG2 ARG 9 1HG ARG 9 7.028 8.003 -12.147 80 HG3 ARG 9 2HG ARG 9 7.857 7.103 -10.876 81 HD2 ARG 9 1HD ARG 9 7.895 5.140 -12.117 82 HD3 ARG 9 2HD ARG 9 6.576 5.663 -13.164 83 HE ARG 9 HE ARG 9 8.563 7.432 -13.700 84 HH11 ARG 9 1HH1 ARG 9 8.359 3.957 -13.677 85 HH12 ARG 9 2HH1 ARG 9 9.548 3.748 -14.920 86 HH21 ARG 9 1HH2 ARG 9 10.130 7.171 -15.337 87 HH22 ARG 9 2HH2 ARG 9 10.555 5.577 -15.863 88 H THR 10 H THR 10 3.164 5.377 -10.775 89 HA THR 10 HA THR 10 1.858 4.390 -13.057 90 HB THR 10 HB THR 10 4.218 3.667 -13.596 91 HG1 THR 10 HG1 THR 10 3.384 1.933 -14.557 92 HG21 THR 10 3HG2 THR 10 3.826 1.532 -11.526 93 HG22 THR 10 1HG2 THR 10 4.630 3.047 -11.118 94 HG23 THR 10 2HG2 THR 10 5.300 2.003 -12.372 95 H THR 11 H THR 11 1.272 1.875 -12.554 96 HA THR 11 HA THR 11 -0.488 1.881 -10.443 97 HB THR 11 HB THR 11 0.794 -0.723 -11.136 98 HG1 THR 11 HG1 THR 11 -0.903 0.702 -12.929 99 HG21 THR 11 3HG2 THR 11 -1.216 -0.504 -9.655 100 HG22 THR 11 1HG2 THR 11 -1.460 -1.531 -11.067 101 HG23 THR 11 2HG2 THR 11 -2.104 0.111 -11.048 102 H TYR 12 H TYR 12 2.718 0.314 -10.471 103 HA TYR 12 HA TYR 12 3.209 1.046 -7.745 104 HB2 TYR 12 1HB TYR 12 3.537 -1.478 -7.137 105 HB3 TYR 12 2HB TYR 12 1.936 -0.754 -7.031 106 HD1 TYR 12 HD1 TYR 12 4.083 -3.040 -8.945 107 HD2 TYR 12 HD2 TYR 12 0.176 -1.401 -8.547 108 HE1 TYR 12 HE1 TYR 12 3.210 -4.766 -10.465 109 HE2 TYR 12 HE2 TYR 12 -0.707 -3.123 -10.064 110 HH TYR 12 HH TYR 12 0.127 -5.603 -10.720 111 H SER 13 H SER 13 5.237 1.713 -8.000 112 HA SER 13 HA SER 13 7.183 -0.165 -9.140 113 HB2 SER 13 1HB SER 13 6.601 1.510 -10.880 114 HB3 SER 13 2HB SER 13 7.110 2.794 -9.783 115 HG SER 13 HG SER 13 8.616 1.093 -11.317 116 H ARG 14 H ARG 14 9.495 0.781 -8.728 117 HA ARG 14 HA ARG 14 9.695 1.144 -5.876 118 HB2 ARG 14 1HB ARG 14 12.130 1.000 -6.265 119 HB3 ARG 14 2HB ARG 14 11.257 -0.343 -6.991 120 HG2 ARG 14 1HG ARG 14 11.689 1.958 -8.763 121 HG3 ARG 14 2HG ARG 14 13.151 1.113 -8.250 122 HD2 ARG 14 1HD ARG 14 11.605 -0.992 -8.874 123 HD3 ARG 14 2HD ARG 14 10.934 0.205 -9.980 124 HE ARG 14 HE ARG 14 13.789 0.122 -10.064 125 HH11 ARG 14 1HH1 ARG 14 10.888 -1.423 -11.214 126 HH12 ARG 14 2HH1 ARG 14 11.636 -2.055 -12.644 127 HH21 ARG 14 1HH2 ARG 14 14.784 -0.705 -11.943 128 HH22 ARG 14 2HH2 ARG 14 13.852 -1.646 -13.057 129 H GLN 15 H GLN 15 9.655 3.164 -8.634 130 HA GLN 15 HA GLN 15 11.277 5.288 -7.903 131 HB2 GLN 15 1HB GLN 15 8.625 5.363 -9.351 132 HB3 GLN 15 2HB GLN 15 9.776 6.691 -9.295 133 HG2 GLN 15 1HG GLN 15 10.219 3.984 -10.533 134 HG3 GLN 15 2HG GLN 15 9.969 5.507 -11.385 135 HE21 GLN 15 2HE2 GLN 15 12.179 3.833 -11.770 136 HE22 GLN 15 1HE2 GLN 15 13.595 4.669 -11.242 137 H GLN 16 H GLN 16 7.796 4.901 -7.231 138 HA GLN 16 HA GLN 16 7.451 7.202 -5.712 139 HB2 GLN 16 1HB GLN 16 6.042 4.563 -5.290 140 HB3 GLN 16 2HB GLN 16 5.455 6.153 -4.821 141 HG2 GLN 16 1HG GLN 16 6.094 5.879 -7.667 142 HG3 GLN 16 2HG GLN 16 4.777 4.854 -7.101 143 HE21 GLN 16 2HE2 GLN 16 2.975 5.805 -7.754 144 HE22 GLN 16 1HE2 GLN 16 2.559 7.462 -7.495 145 H LEU 17 H LEU 17 8.861 4.136 -4.858 146 HA LEU 17 HA LEU 17 8.901 4.781 -2.021 147 HB2 LEU 17 1HB LEU 17 9.787 2.408 -3.633 148 HB3 LEU 17 2HB LEU 17 10.200 2.580 -1.928 149 HG LEU 17 HG LEU 17 7.337 2.724 -2.773 150 HD11 LEU 17 1HD1 LEU 17 7.111 0.334 -2.604 151 HD12 LEU 17 2HD1 LEU 17 8.834 0.156 -2.274 152 HD13 LEU 17 3HD1 LEU 17 8.293 0.717 -3.856 153 HD21 LEU 17 3HD2 LEU 17 6.938 1.923 -0.557 154 HD22 LEU 17 1HD2 LEU 17 8.092 3.253 -0.453 155 HD23 LEU 17 2HD2 LEU 17 8.652 1.587 -0.311 156 H GLU 18 H GLU 18 10.795 5.374 -4.735 157 HA GLU 18 HA GLU 18 13.385 5.233 -3.552 158 HB2 GLU 18 1HB GLU 18 12.304 6.547 -6.034 159 HB3 GLU 18 2HB GLU 18 13.980 6.748 -5.543 160 HG2 GLU 18 1HG GLU 18 13.072 3.969 -5.598 161 HG3 GLU 18 2HG GLU 18 13.044 4.778 -7.164 162 H ILE 19 H ILE 19 11.034 7.826 -4.057 163 HA ILE 19 HA ILE 19 12.433 10.060 -3.387 164 HB ILE 19 HB ILE 19 9.683 9.467 -2.296 165 HG12 ILE 19 1HG1 ILE 19 9.497 10.982 -4.660 166 HG13 ILE 19 2HG1 ILE 19 10.609 9.667 -5.023 167 HG21 ILE 19 1HG2 ILE 19 10.492 12.150 -3.249 168 HG22 ILE 19 2HG2 ILE 19 9.439 11.690 -1.912 169 HG23 ILE 19 3HG2 ILE 19 11.191 11.592 -1.729 170 HD11 ILE 19 3HD1 ILE 19 9.008 8.066 -4.788 171 HD12 ILE 19 1HD1 ILE 19 8.065 9.017 -3.641 172 HD13 ILE 19 2HD1 ILE 19 8.021 9.410 -5.360 173 H LEU 20 H LEU 20 11.213 7.598 -1.176 174 HA LEU 20 HA LEU 20 12.298 9.040 1.118 175 HB2 LEU 20 1HB LEU 20 11.136 6.352 1.471 176 HB3 LEU 20 2HB LEU 20 10.920 7.816 2.428 177 HG LEU 20 HG LEU 20 8.804 7.315 1.529 178 HD11 LEU 20 1HD1 LEU 20 8.269 9.280 0.458 179 HD12 LEU 20 2HD1 LEU 20 9.744 9.284 -0.508 180 HD13 LEU 20 3HD1 LEU 20 9.811 9.696 1.205 181 HD21 LEU 20 3HD2 LEU 20 9.374 7.363 -1.307 182 HD22 LEU 20 1HD2 LEU 20 8.469 6.184 -0.357 183 HD23 LEU 20 2HD2 LEU 20 10.222 6.048 -0.492 184 H GLU 21 H GLU 21 12.445 5.676 -0.072 185 HA GLU 21 HA GLU 21 14.496 4.710 1.426 186 HB2 GLU 21 1HB GLU 21 13.125 3.791 -0.736 187 HB3 GLU 21 2HB GLU 21 14.724 4.012 -1.431 188 HG2 GLU 21 1HG GLU 21 15.504 2.706 0.692 189 HG3 GLU 21 2HG GLU 21 13.830 2.153 0.715 190 H THR 22 H THR 22 14.707 7.025 -1.159 191 HA THR 22 HA THR 22 17.619 6.883 -1.226 192 HB THR 22 HB THR 22 15.819 8.756 -2.769 193 HG1 THR 22 HG1 THR 22 15.657 7.218 -4.282 194 HG21 THR 22 3HG2 THR 22 17.827 8.716 -4.329 195 HG22 THR 22 1HG2 THR 22 18.716 7.969 -3.002 196 HG23 THR 22 2HG2 THR 22 18.033 9.584 -2.808 197 H LEU 23 H LEU 23 15.113 9.351 -0.638 198 HA LEU 23 HA LEU 23 16.998 11.250 0.380 199 HB2 LEU 23 1HB LEU 23 14.792 11.764 -0.744 200 HB3 LEU 23 2HB LEU 23 14.014 11.280 0.762 201 HG LEU 23 HG LEU 23 16.047 13.494 0.633 202 HD11 LEU 23 1HD1 LEU 23 13.191 13.490 -0.128 203 HD12 LEU 23 2HD1 LEU 23 14.513 14.521 -0.673 204 HD13 LEU 23 3HD1 LEU 23 13.745 14.823 0.885 205 HD21 LEU 23 3HD2 LEU 23 14.217 13.970 2.642 206 HD22 LEU 23 1HD2 LEU 23 15.836 13.300 2.844 207 HD23 LEU 23 2HD2 LEU 23 14.448 12.222 2.699 208 H PHE 24 H PHE 24 14.212 9.690 1.975 209 HA PHE 24 HA PHE 24 14.729 10.339 4.566 210 HB2 PHE 24 1HB PHE 24 12.733 9.124 3.994 211 HB3 PHE 24 2HB PHE 24 13.671 7.728 3.472 212 HD1 PHE 24 HD1 PHE 24 12.959 9.808 6.472 213 HD2 PHE 24 HD2 PHE 24 14.069 5.992 4.947 214 HE1 PHE 24 HE1 PHE 24 12.793 8.859 8.736 215 HE2 PHE 24 HE2 PHE 24 13.904 5.037 7.208 216 HZ PHE 24 HZ PHE 24 13.264 6.470 9.106 217 H ASN 25 H ASN 25 16.343 7.896 2.637 218 HA ASN 25 HA ASN 25 17.826 6.828 4.868 219 HB2 ASN 25 1HB ASN 25 17.141 5.520 2.798 220 HB3 ASN 25 2HB ASN 25 18.403 6.396 1.936 221 HD21 ASN 25 2HD2 ASN 25 17.676 3.860 4.111 222 HD22 ASN 25 1HD2 ASN 25 19.289 3.281 4.330 223 H GLU 26 H GLU 26 18.494 8.936 2.099 224 HA GLU 26 HA GLU 26 21.226 9.254 2.392 225 HB2 GLU 26 1HB GLU 26 20.012 10.155 0.487 226 HB3 GLU 26 2HB GLU 26 19.172 11.296 1.527 227 HG2 GLU 26 1HG GLU 26 21.113 12.178 0.151 228 HG3 GLU 26 2HG GLU 26 21.087 12.583 1.867 229 H THR 27 H THR 27 18.619 11.106 3.938 230 HA THR 27 HA THR 27 19.982 11.474 6.355 231 HB THR 27 HB THR 27 20.003 14.171 5.733 232 HG1 THR 27 HG1 THR 27 19.970 13.863 3.531 233 HG21 THR 27 3HG2 THR 27 22.535 12.658 5.414 234 HG22 THR 27 1HG2 THR 27 21.661 12.457 6.931 235 HG23 THR 27 2HG2 THR 27 22.176 14.063 6.416 236 H GLN 28 H GLN 28 18.937 13.309 7.681 237 HA GLN 28 HA GLN 28 16.058 13.235 7.127 238 HB2 GLN 28 1HB GLN 28 17.571 13.811 9.679 239 HB3 GLN 28 2HB GLN 28 15.819 13.860 9.527 240 HG2 GLN 28 1HG GLN 28 15.657 11.556 9.231 241 HG3 GLN 28 2HG GLN 28 17.365 11.396 8.824 242 HE21 GLN 28 2HE2 GLN 28 18.870 11.248 10.439 243 HE22 GLN 28 1HE2 GLN 28 18.456 11.053 12.105 244 H TYR 29 H TYR 29 17.438 15.024 5.574 245 HA TYR 29 HA TYR 29 16.842 17.631 6.808 246 HB2 TYR 29 1HB TYR 29 18.675 17.042 4.475 247 HB3 TYR 29 2HB TYR 29 18.416 18.615 5.221 248 HD1 TYR 29 HD1 TYR 29 18.445 17.759 8.107 249 HD2 TYR 29 HD2 TYR 29 20.980 16.737 4.846 250 HE1 TYR 29 HE1 TYR 29 20.282 17.318 9.682 251 HE2 TYR 29 HE2 TYR 29 22.824 16.292 6.412 252 HH TYR 29 HH TYR 29 22.337 16.373 9.897 253 HA PRO 30 HA PRO 30 13.601 16.983 3.574 254 HB2 PRO 30 1HB PRO 30 11.599 18.070 5.051 255 HB3 PRO 30 2HB PRO 30 12.069 16.370 5.173 256 HG2 PRO 30 1HG PRO 30 12.802 18.671 6.943 257 HG3 PRO 30 2HG PRO 30 12.325 17.022 7.391 258 HD2 PRO 30 1HD PRO 30 14.908 17.834 7.364 259 HD3 PRO 30 2HD PRO 30 14.426 16.168 6.983 260 H ASP 31 H ASP 31 15.000 18.678 2.556 261 HA ASP 31 HA ASP 31 13.682 21.304 2.745 262 HB2 ASP 31 1HB ASP 31 16.631 20.803 2.284 263 HB3 ASP 31 2HB ASP 31 15.845 22.379 2.272 264 H VAL 32 H VAL 32 14.297 22.663 0.717 265 HA VAL 32 HA VAL 32 13.126 21.530 -1.513 266 HB VAL 32 HB VAL 32 14.238 23.378 -2.821 267 HG11 VAL 32 1HG1 VAL 32 12.137 23.947 -2.055 268 HG12 VAL 32 2HG1 VAL 32 12.607 23.828 -0.358 269 HG13 VAL 32 3HG1 VAL 32 13.136 25.204 -1.326 270 HG21 VAL 32 3HG2 VAL 32 16.298 23.639 -1.664 271 HG22 VAL 32 1HG2 VAL 32 15.376 25.120 -1.404 272 HG23 VAL 32 2HG2 VAL 32 15.477 23.908 -0.127 273 H PHE 33 H PHE 33 16.575 21.808 -0.737 274 HA PHE 33 HA PHE 33 17.639 20.836 -3.111 275 HB2 PHE 33 1HB PHE 33 18.609 21.491 -0.550 276 HB3 PHE 33 2HB PHE 33 19.147 19.844 -0.862 277 HD1 PHE 33 HD2 PHE 33 19.057 23.227 -2.402 278 HD2 PHE 33 HD1 PHE 33 21.038 19.469 -2.140 279 HE1 PHE 33 HE2 PHE 33 20.881 24.095 -3.806 280 HE2 PHE 33 HE1 PHE 33 22.866 20.331 -3.543 281 HZ PHE 33 HZ PHE 33 22.789 22.646 -4.379 282 H ALA 34 H ALA 34 15.947 19.179 -0.605 283 HA ALA 34 HA ALA 34 16.868 16.551 -1.421 284 HB1 ALA 34 1HB ALA 34 14.548 16.805 0.391 285 HB2 ALA 34 2HB ALA 34 15.971 15.768 0.502 286 HB3 ALA 34 3HB ALA 34 16.078 17.466 0.967 287 H ARG 35 H ARG 35 13.620 17.996 -1.079 288 HA ARG 35 HA ARG 35 12.259 16.113 -2.599 289 HB2 ARG 35 1HB ARG 35 10.521 17.882 -2.884 290 HB3 ARG 35 2HB ARG 35 11.047 17.662 -1.220 291 HG2 ARG 35 1HG ARG 35 12.626 19.612 -1.626 292 HG3 ARG 35 2HG ARG 35 11.699 19.906 -3.099 293 HD2 ARG 35 1HD ARG 35 10.540 21.244 -1.665 294 HD3 ARG 35 2HD ARG 35 9.667 19.734 -1.410 295 HE ARG 35 HE ARG 35 11.586 19.611 0.467 296 HH11 ARG 35 1HH1 ARG 35 9.324 22.107 -0.415 297 HH12 ARG 35 2HH1 ARG 35 9.217 22.758 1.188 298 HH21 ARG 35 1HH2 ARG 35 11.454 20.459 2.580 299 HH22 ARG 35 2HH2 ARG 35 10.430 21.820 2.890 300 H GLU 36 H GLU 36 13.709 19.190 -3.620 301 HA GLU 36 HA GLU 36 12.901 19.085 -6.305 302 HB2 GLU 36 1HB GLU 36 13.818 21.099 -5.170 303 HB3 GLU 36 2HB GLU 36 15.409 20.351 -5.189 304 HG2 GLU 36 1HG GLU 36 15.639 20.580 -7.474 305 HG3 GLU 36 2HG GLU 36 13.901 20.714 -7.738 306 H ARG 37 H ARG 37 15.407 17.427 -4.593 307 HA ARG 37 HA ARG 37 16.933 16.715 -6.922 308 HB2 ARG 37 1HB ARG 37 18.015 16.879 -4.739 309 HB3 ARG 37 2HB ARG 37 16.977 15.606 -4.111 310 HG2 ARG 37 1HG ARG 37 18.406 14.781 -6.496 311 HG3 ARG 37 2HG ARG 37 19.488 15.287 -5.196 312 HD2 ARG 37 1HD ARG 37 17.876 13.796 -3.738 313 HD3 ARG 37 2HD ARG 37 17.550 13.029 -5.292 314 HE ARG 37 HE ARG 37 19.642 12.095 -5.235 315 HH11 ARG 37 1HH1 ARG 37 19.445 14.624 -2.851 316 HH12 ARG 37 2HH1 ARG 37 20.972 14.240 -2.128 317 HH21 ARG 37 1HH2 ARG 37 21.653 11.579 -4.291 318 HH22 ARG 37 2HH2 ARG 37 22.228 12.508 -2.948 319 H VAL 38 H VAL 38 15.102 14.717 -4.597 320 HA VAL 38 HA VAL 38 15.051 12.386 -6.098 321 HB VAL 38 HB VAL 38 12.897 11.884 -4.812 322 HG11 VAL 38 1HG1 VAL 38 15.465 12.607 -3.413 323 HG12 VAL 38 2HG1 VAL 38 14.144 11.731 -2.636 324 HG13 VAL 38 3HG1 VAL 38 14.973 11.028 -4.025 325 HG21 VAL 38 3HG2 VAL 38 13.585 14.246 -3.125 326 HG22 VAL 38 1HG2 VAL 38 12.557 14.468 -4.540 327 HG23 VAL 38 2HG2 VAL 38 12.065 13.362 -3.258 328 H ALA 39 H ALA 39 13.252 15.302 -6.505 329 HA ALA 39 HA ALA 39 10.984 14.409 -7.845 330 HB1 ALA 39 1HB ALA 39 11.893 16.823 -9.064 331 HB2 ALA 39 2HB ALA 39 10.585 16.590 -7.902 332 HB3 ALA 39 3HB ALA 39 12.227 16.891 -7.333 333 H ASP 40 H ASP 40 14.282 14.709 -8.941 334 HA ASP 40 HA ASP 40 13.587 14.329 -11.727 335 HB2 ASP 40 1HB ASP 40 15.573 15.700 -10.809 336 HB3 ASP 40 2HB ASP 40 16.365 14.142 -10.588 337 H GLN 41 H GLN 41 14.160 12.370 -9.017 338 HA GLN 41 HA GLN 41 15.237 10.103 -10.409 339 HB2 GLN 41 1HB GLN 41 14.039 10.400 -7.653 340 HB3 GLN 41 2HB GLN 41 14.735 8.904 -8.261 341 HG2 GLN 41 1HG GLN 41 16.354 11.409 -8.287 342 HG3 GLN 41 2HG GLN 41 16.152 10.504 -6.788 343 HE21 GLN 41 2HE2 GLN 41 16.517 8.064 -7.112 344 HE22 GLN 41 1HE2 GLN 41 17.930 7.639 -8.009 345 H ILE 42 H ILE 42 12.073 10.851 -8.953 346 HA ILE 42 HA ILE 42 10.893 8.561 -10.319 347 HB ILE 42 HB ILE 42 8.999 8.822 -8.963 348 HG12 ILE 42 1HG1 ILE 42 9.975 11.574 -8.171 349 HG13 ILE 42 2HG1 ILE 42 8.745 11.272 -9.394 350 HG21 ILE 42 1HG2 ILE 42 9.843 8.708 -6.771 351 HG22 ILE 42 2HG2 ILE 42 11.170 8.181 -7.805 352 HG23 ILE 42 3HG2 ILE 42 11.168 9.812 -7.136 353 HD11 ILE 42 3HD1 ILE 42 8.593 11.013 -6.440 354 HD12 ILE 42 1HD1 ILE 42 7.443 11.716 -7.577 355 HD13 ILE 42 2HD1 ILE 42 7.587 9.963 -7.439 356 H ARG 43 H ARG 43 11.526 11.725 -11.041 357 HA ARG 43 HA ARG 43 10.877 13.090 -12.744 358 HB2 ARG 43 1HB ARG 43 10.692 10.816 -13.930 359 HB3 ARG 43 2HB ARG 43 8.960 10.957 -13.658 360 HG2 ARG 43 1HG ARG 43 9.514 11.712 -15.878 361 HG3 ARG 43 2HG ARG 43 8.954 13.073 -14.905 362 HD2 ARG 43 1HD ARG 43 11.202 13.842 -14.580 363 HD3 ARG 43 2HD ARG 43 11.856 12.395 -15.346 364 HE ARG 43 HE ARG 43 11.522 13.381 -17.376 365 HH11 ARG 43 1HH1 ARG 43 9.544 14.997 -15.010 366 HH12 ARG 43 2HH1 ARG 43 9.015 16.232 -16.104 367 HH21 ARG 43 1HH2 ARG 43 10.832 15.001 -18.826 368 HH22 ARG 43 2HH2 ARG 43 9.747 16.233 -18.274 369 H LEU 44 H LEU 44 9.804 13.831 -10.510 370 HA LEU 44 HA LEU 44 7.045 14.530 -11.208 371 HB2 LEU 44 1HB LEU 44 7.029 12.653 -9.584 372 HB3 LEU 44 2HB LEU 44 7.913 13.673 -8.451 373 HG LEU 44 HG LEU 44 6.020 15.186 -8.295 374 HD11 LEU 44 1HD1 LEU 44 3.926 13.774 -9.491 375 HD12 LEU 44 2HD1 LEU 44 5.208 13.836 -10.699 376 HD13 LEU 44 3HD1 LEU 44 4.595 15.329 -9.988 377 HD21 LEU 44 3HD2 LEU 44 4.322 13.489 -7.393 378 HD22 LEU 44 1HD2 LEU 44 5.930 13.514 -6.668 379 HD23 LEU 44 2HD2 LEU 44 5.511 12.265 -7.840 380 H GLN 45 H GLN 45 6.239 16.401 -9.936 381 HA GLN 45 HA GLN 45 7.972 18.573 -10.099 382 HB2 GLN 45 1HB GLN 45 5.247 18.112 -9.339 383 HB3 GLN 45 2HB GLN 45 5.989 19.204 -8.177 384 HG2 GLN 45 1HG GLN 45 6.361 20.843 -9.745 385 HG3 GLN 45 2HG GLN 45 6.343 19.707 -11.093 386 HE21 GLN 45 2HE2 GLN 45 4.445 21.654 -8.956 387 HE22 GLN 45 1HE2 GLN 45 2.940 21.467 -9.783 388 H GLU 46 H GLU 46 9.045 19.821 -8.550 389 HA GLU 46 HA GLU 46 10.332 18.376 -6.496 390 HB2 GLU 46 1HB GLU 46 11.270 20.585 -5.839 391 HB3 GLU 46 2HB GLU 46 11.456 20.227 -7.550 392 HG2 GLU 46 1HG GLU 46 9.125 21.562 -7.605 393 HG3 GLU 46 2HG GLU 46 9.887 22.324 -6.210 394 H SER 47 H SER 47 7.757 20.811 -6.434 395 HA SER 47 HA SER 47 7.511 20.696 -3.567 396 HB2 SER 47 1HB SER 47 5.482 21.900 -5.442 397 HB3 SER 47 2HB SER 47 5.856 22.366 -3.783 398 HG SER 47 HG SER 47 6.891 23.326 -6.028 399 H ARG 48 H ARG 48 6.208 19.000 -6.254 400 HA ARG 48 HA ARG 48 3.831 18.083 -4.916 401 HB2 ARG 48 1HB ARG 48 3.886 18.314 -7.356 402 HB3 ARG 48 2HB ARG 48 5.164 17.109 -7.448 403 HG2 ARG 48 1HG ARG 48 3.035 16.133 -8.044 404 HG3 ARG 48 2HG ARG 48 3.633 15.426 -6.542 405 HD2 ARG 48 1HD ARG 48 2.062 16.539 -5.244 406 HD3 ARG 48 2HD ARG 48 1.770 17.766 -6.477 407 HE ARG 48 HE ARG 48 0.422 15.278 -6.197 408 HH11 ARG 48 1HH1 ARG 48 1.564 17.571 -8.554 409 HH12 ARG 48 2HH1 ARG 48 0.378 17.138 -9.741 410 HH21 ARG 48 1HH2 ARG 48 -1.143 14.699 -7.751 411 HH22 ARG 48 2HH2 ARG 48 -1.162 15.505 -9.283 412 H ILE 49 H ILE 49 6.992 16.705 -5.743 413 HA ILE 49 HA ILE 49 6.589 14.107 -4.850 414 HB ILE 49 HB ILE 49 8.682 15.331 -5.964 415 HG12 ILE 49 1HG1 ILE 49 8.930 12.891 -4.191 416 HG13 ILE 49 2HG1 ILE 49 8.257 12.891 -5.817 417 HG21 ILE 49 1HG2 ILE 49 9.090 16.457 -3.691 418 HG22 ILE 49 2HG2 ILE 49 9.722 14.890 -3.188 419 HG23 ILE 49 3HG2 ILE 49 10.472 15.753 -4.531 420 HD11 ILE 49 3HD1 ILE 49 10.272 12.896 -6.776 421 HD12 ILE 49 1HD1 ILE 49 10.932 14.055 -5.622 422 HD13 ILE 49 2HD1 ILE 49 10.838 12.345 -5.200 423 H GLN 50 H GLN 50 6.916 17.025 -3.049 424 HA GLN 50 HA GLN 50 7.898 16.094 -0.616 425 HB2 GLN 50 1HB GLN 50 6.835 18.490 -1.594 426 HB3 GLN 50 2HB GLN 50 5.807 18.059 -0.233 427 HG2 GLN 50 1HG GLN 50 7.835 17.832 1.167 428 HG3 GLN 50 2HG GLN 50 8.795 18.403 -0.196 429 HE21 GLN 50 2HE2 GLN 50 8.048 19.456 2.577 430 HE22 GLN 50 1HE2 GLN 50 7.588 21.094 2.275 431 H VAL 51 H VAL 51 4.582 16.155 -1.853 432 HA VAL 51 HA VAL 51 3.354 15.180 0.502 433 HB VAL 51 HB VAL 51 1.382 14.899 -0.764 434 HG11 VAL 51 1HG1 VAL 51 2.457 17.029 -2.485 435 HG12 VAL 51 2HG1 VAL 51 1.079 17.043 -1.383 436 HG13 VAL 51 3HG1 VAL 51 2.714 17.252 -0.755 437 HG21 VAL 51 3HG2 VAL 51 1.750 15.163 -3.405 438 HG22 VAL 51 1HG2 VAL 51 3.263 14.363 -2.980 439 HG23 VAL 51 2HG2 VAL 51 1.722 13.600 -2.589 440 H TRP 52 H TRP 52 4.964 13.630 -2.168 441 HA TRP 52 HA TRP 52 3.980 10.995 -1.499 442 HB2 TRP 52 1HB TRP 52 6.028 11.976 -3.490 443 HB3 TRP 52 2HB TRP 52 5.646 10.272 -3.262 444 HD1 TRP 52 HD1 TRP 52 4.152 13.515 -4.645 445 HE1 TRP 52 HE1 TRP 52 2.136 12.922 -6.130 446 HE3 TRP 52 HE3 TRP 52 3.851 8.511 -3.643 447 HZ2 TRP 52 HZ2 TRP 52 0.618 10.635 -6.790 448 HZ3 TRP 52 HZ3 TRP 52 2.088 7.193 -4.742 449 HH2 TRP 52 HH2 TRP 52 0.506 8.235 -6.282 450 H PHE 53 H PHE 53 6.554 13.029 -0.546 451 HA PHE 53 HA PHE 53 8.562 11.197 0.080 452 HB2 PHE 53 1HB PHE 53 8.941 13.604 0.142 453 HB3 PHE 53 2HB PHE 53 7.820 13.768 1.490 454 HD1 PHE 53 HD2 PHE 53 10.751 11.589 0.704 455 HD2 PHE 53 HD1 PHE 53 8.853 14.196 3.482 456 HE1 PHE 53 HE2 PHE 53 12.607 11.253 2.282 457 HE2 PHE 53 HE1 PHE 53 10.707 13.865 5.065 458 HZ PHE 53 HZ PHE 53 12.587 12.391 4.466 459 H LYS 54 H LYS 54 5.485 11.640 1.481 460 HA LYS 54 HA LYS 54 6.195 10.460 4.036 461 HB2 LYS 54 1HB LYS 54 4.285 12.237 3.371 462 HB3 LYS 54 2HB LYS 54 3.348 10.753 3.258 463 HG2 LYS 54 1HG LYS 54 4.729 10.510 5.650 464 HG3 LYS 54 2HG LYS 54 4.238 12.204 5.590 465 HD2 LYS 54 1HD LYS 54 1.939 11.590 5.287 466 HD3 LYS 54 2HD LYS 54 2.369 9.887 5.109 467 HE2 LYS 54 1HE LYS 54 3.354 10.090 7.466 468 HE3 LYS 54 2HE LYS 54 2.450 11.600 7.575 469 HZ1 LYS 54 3HZ LYS 54 0.497 10.084 6.795 470 HZ2 LYS 54 1HZ LYS 54 0.951 10.120 8.424 471 HZ3 LYS 54 2HZ LYS 54 1.453 8.844 7.434 472 H ASN 55 H ASN 55 5.258 9.405 0.945 473 HA ASN 55 HA ASN 55 3.661 7.250 1.207 474 HB2 ASN 55 1HB ASN 55 4.673 7.889 -0.924 475 HB3 ASN 55 2HB ASN 55 6.247 7.331 -0.364 476 HD21 ASN 55 2HD2 ASN 55 6.726 5.188 -0.412 477 HD22 ASN 55 1HD2 ASN 55 5.690 3.991 -1.102 478 H ARG 56 H ARG 56 7.188 6.758 1.298 479 HA ARG 56 HA ARG 56 6.819 4.355 2.874 480 HB2 ARG 56 1HB ARG 56 8.525 4.809 0.923 481 HB3 ARG 56 2HB ARG 56 9.509 5.483 2.215 482 HG2 ARG 56 1HG ARG 56 8.531 2.981 3.104 483 HG3 ARG 56 2HG ARG 56 9.165 2.767 1.471 484 HD2 ARG 56 1HD ARG 56 11.302 3.430 2.076 485 HD3 ARG 56 2HD ARG 56 10.735 4.298 3.503 486 HE ARG 56 HE ARG 56 10.266 1.484 3.678 487 HH11 ARG 56 1HH1 ARG 56 12.668 3.972 4.081 488 HH12 ARG 56 2HH1 ARG 56 13.600 3.067 5.228 489 HH21 ARG 56 1HH2 ARG 56 11.484 0.284 5.187 490 HH22 ARG 56 2HH2 ARG 56 12.926 0.970 5.856 491 H ARG 57 H ARG 57 8.216 7.574 3.257 492 HA ARG 57 HA ARG 57 9.511 7.334 5.666 493 HB2 ARG 57 1HB ARG 57 9.580 9.397 4.423 494 HB3 ARG 57 2HB ARG 57 7.849 9.631 4.627 495 HG2 ARG 57 1HG ARG 57 9.404 9.385 7.114 496 HG3 ARG 57 2HG ARG 57 9.718 10.825 6.144 497 HD2 ARG 57 1HD ARG 57 7.077 10.900 6.055 498 HD3 ARG 57 2HD ARG 57 7.237 9.974 7.547 499 HE ARG 57 HE ARG 57 7.690 12.753 7.224 500 HH11 ARG 57 1HH1 ARG 57 8.875 9.948 8.912 501 HH12 ARG 57 2HH1 ARG 57 9.493 10.855 10.253 502 HH21 ARG 57 1HH2 ARG 57 8.500 13.958 8.983 503 HH22 ARG 57 2HH2 ARG 57 9.279 13.136 10.292 504 H ALA 58 H ALA 58 6.083 7.364 5.045 505 HA ALA 58 HA ALA 58 5.416 7.626 7.862 506 HB1 ALA 58 1HB ALA 58 3.591 7.130 5.514 507 HB2 ALA 58 2HB ALA 58 3.112 7.608 7.143 508 HB3 ALA 58 3HB ALA 58 4.034 8.721 6.133 509 H LYS 59 H LYS 59 5.577 5.158 5.378 510 HA LYS 59 HA LYS 59 4.145 3.116 6.618 511 HB2 LYS 59 1HB LYS 59 6.046 3.357 4.441 512 HB3 LYS 59 2HB LYS 59 6.279 1.855 5.327 513 HG2 LYS 59 1HG LYS 59 4.748 1.616 3.419 514 HG3 LYS 59 2HG LYS 59 3.982 1.228 4.961 515 HD2 LYS 59 1HD LYS 59 2.524 2.933 4.800 516 HD3 LYS 59 2HD LYS 59 3.739 4.039 4.154 517 HE2 LYS 59 1HE LYS 59 3.531 2.641 1.995 518 HE3 LYS 59 2HE LYS 59 2.026 2.053 2.700 519 HZ1 LYS 59 3HZ LYS 59 2.203 4.884 2.875 520 HZ2 LYS 59 1HZ LYS 59 1.007 3.929 2.154 521 HZ3 LYS 59 2HZ LYS 59 2.380 4.374 1.272 522 H TYR 60 H TYR 60 7.194 4.482 7.419 523 HA TYR 60 HA TYR 60 8.561 2.439 8.646 524 HB2 TYR 60 1HB TYR 60 9.837 4.062 9.664 525 HB3 TYR 60 2HB TYR 60 9.072 5.019 8.401 526 HD1 TYR 60 HD1 TYR 60 6.765 6.118 9.114 527 HD2 TYR 60 HD2 TYR 60 9.801 4.877 11.824 528 HE1 TYR 60 HE1 TYR 60 5.865 7.649 10.815 529 HE2 TYR 60 HE2 TYR 60 8.908 6.404 13.533 530 HH TYR 60 HH TYR 60 6.833 7.537 14.085 531 H ARG 61 H ARG 61 5.682 4.078 9.721 532 HA ARG 61 HA ARG 61 5.797 3.093 12.415 533 HB2 ARG 61 1HB ARG 61 4.462 5.136 11.260 534 HB3 ARG 61 2HB ARG 61 3.192 3.920 11.277 535 HG2 ARG 61 1HG ARG 61 3.716 3.623 13.744 536 HG3 ARG 61 2HG ARG 61 4.666 5.104 13.606 537 HD2 ARG 61 1HD ARG 61 2.743 6.362 12.958 538 HD3 ARG 61 2HD ARG 61 1.772 4.899 12.800 539 HE ARG 61 HE ARG 61 2.683 5.005 15.422 540 HH11 ARG 61 1HH1 ARG 61 0.629 6.854 13.305 541 HH12 ARG 61 2HH1 ARG 61 -0.378 7.446 14.585 542 HH21 ARG 61 1HH2 ARG 61 1.365 5.778 17.116 543 HH22 ARG 61 2HH2 ARG 61 0.042 6.834 16.752 544 H LEU 62 H LEU 62 4.156 2.157 9.433 545 HA LEU 62 HA LEU 62 2.517 0.150 10.537 546 HB2 LEU 62 1HB LEU 62 2.561 1.273 8.170 547 HB3 LEU 62 2HB LEU 62 3.617 -0.081 7.773 548 HG LEU 62 HG LEU 62 0.932 -0.572 9.005 549 HD11 LEU 62 1HD1 LEU 62 0.713 0.962 7.011 550 HD12 LEU 62 2HD1 LEU 62 -0.142 -0.576 6.903 551 HD13 LEU 62 3HD1 LEU 62 1.380 -0.351 6.040 552 HD21 LEU 62 3HD2 LEU 62 1.806 -2.364 6.933 553 HD22 LEU 62 1HD2 LEU 62 1.447 -2.698 8.627 554 HD23 LEU 62 2HD2 LEU 62 3.064 -2.174 8.156 555 H GLN 63 H GLN 63 5.833 0.131 9.375 556 HA GLN 63 HA GLN 63 6.088 -2.734 9.619 557 HB2 GLN 63 1HB GLN 63 8.386 -2.408 8.947 558 HB3 GLN 63 2HB GLN 63 7.341 -1.445 7.912 559 HG2 GLN 63 1HG GLN 63 7.931 0.561 9.063 560 HG3 GLN 63 2HG GLN 63 8.812 -0.346 10.292 561 HE21 GLN 63 2HE2 GLN 63 10.909 -0.137 10.072 562 HE22 GLN 63 1HE2 GLN 63 11.780 -0.050 8.582 563 H GLU 64 H GLU 64 6.685 0.076 11.574 564 HA GLU 64 HA GLU 64 8.553 -0.842 13.388 565 HB2 GLU 64 1HB GLU 64 7.076 1.414 13.171 566 HB3 GLU 64 2HB GLU 64 6.283 0.658 14.545 567 HG2 GLU 64 1HG GLU 64 8.405 0.534 15.724 568 HG3 GLU 64 2HG GLU 64 9.226 1.250 14.339 569 H LYS 65 H LYS 65 5.015 -0.973 13.842 570 HA LYS 65 HA LYS 65 5.121 -2.667 16.093 571 HB2 LYS 65 1HB LYS 65 2.713 -2.974 15.737 572 HB3 LYS 65 2HB LYS 65 3.171 -1.282 15.598 573 HG2 LYS 65 1HG LYS 65 1.907 -1.357 13.749 574 HG3 LYS 65 2HG LYS 65 3.358 -2.047 13.019 575 HD2 LYS 65 1HD LYS 65 1.736 -3.567 12.385 576 HD3 LYS 65 2HD LYS 65 2.374 -4.309 13.854 577 HE2 LYS 65 1HE LYS 65 0.506 -3.743 15.102 578 HE3 LYS 65 2HE LYS 65 0.047 -2.438 14.010 579 HZ1 LYS 65 3HZ LYS 65 0.021 -4.917 12.647 580 HZ2 LYS 65 1HZ LYS 65 -1.244 -3.820 12.885 581 HZ3 LYS 65 2HZ LYS 65 -0.936 -5.018 14.038 582 H GLN 66 H GLN 66 5.062 -3.295 12.659 583 HA GLN 66 HA GLN 66 4.255 -5.949 12.612 584 HB2 GLN 66 1HB GLN 66 5.226 -4.141 10.765 585 HB3 GLN 66 2HB GLN 66 6.465 -5.389 10.784 586 HG2 GLN 66 1HG GLN 66 3.658 -6.297 10.624 587 HG3 GLN 66 2HG GLN 66 4.323 -5.487 9.206 588 HE21 GLN 66 2HE2 GLN 66 6.487 -6.320 8.497 589 HE22 GLN 66 1HE2 GLN 66 6.724 -8.031 8.543 590 H LYS 67 H LYS 67 7.636 -4.805 12.587 591 HA LYS 67 HA LYS 67 8.638 -7.400 13.278 592 HB2 LYS 67 1HB LYS 67 9.811 -4.716 12.749 593 HB3 LYS 67 2HB LYS 67 10.777 -5.856 13.677 594 HG2 LYS 67 1HG LYS 67 10.863 -7.393 11.905 595 HG3 LYS 67 2HG LYS 67 9.555 -6.587 11.036 596 HD2 LYS 67 1HD LYS 67 11.305 -5.745 9.856 597 HD3 LYS 67 2HD LYS 67 11.281 -4.555 11.159 598 HE2 LYS 67 1HE LYS 67 12.893 -7.039 11.497 599 HE3 LYS 67 2HE LYS 67 13.512 -5.758 10.458 600 HZ1 LYS 67 3HZ LYS 67 14.377 -5.286 12.550 601 HZ2 LYS 67 1HZ LYS 67 12.934 -5.655 13.353 602 HZ3 LYS 67 2HZ LYS 67 13.052 -4.241 12.432 603 HA PRO 68 HA PRO 68 8.702 -7.217 17.661 604 HB2 PRO 68 1HB PRO 68 11.105 -8.328 18.262 605 HB3 PRO 68 2HB PRO 68 9.742 -9.265 17.640 606 HG2 PRO 68 1HG PRO 68 12.123 -8.188 16.180 607 HG3 PRO 68 2HG PRO 68 11.350 -9.778 16.040 608 HD2 PRO 68 1HD PRO 68 10.916 -7.785 14.259 609 HD3 PRO 68 2HD PRO 68 9.672 -8.981 14.675 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.367 -0.709 -0.058 2 HA2 GLY 1 1HA GLY 1 3.389 -1.408 -2.359 3 HA3 GLY 1 2HA GLY 1 1.750 -1.082 -2.901 4 HA PRO 2 HA PRO 2 4.470 2.809 -2.843 5 HB2 PRO 2 1HB PRO 2 4.749 3.102 -5.527 6 HB3 PRO 2 2HB PRO 2 5.891 2.186 -4.537 7 HG2 PRO 2 1HG PRO 2 3.637 1.193 -6.240 8 HG3 PRO 2 2HG PRO 2 5.282 0.550 -6.073 9 HD2 PRO 2 1HD PRO 2 3.155 -0.543 -4.802 10 HD3 PRO 2 2HD PRO 2 4.789 -0.548 -4.108 11 H ARG 3 H ARG 3 2.726 4.023 -2.170 12 HA ARG 3 HA ARG 3 1.413 5.628 -4.049 13 HB2 ARG 3 1HB ARG 3 0.224 3.192 -4.036 14 HB3 ARG 3 2HB ARG 3 -0.697 3.999 -2.775 15 HG2 ARG 3 1HG ARG 3 -1.033 5.884 -4.455 16 HG3 ARG 3 2HG ARG 3 -0.441 4.745 -5.667 17 HD2 ARG 3 1HD ARG 3 -2.703 4.082 -3.802 18 HD3 ARG 3 2HD ARG 3 -2.963 4.894 -5.345 19 HE ARG 3 HE ARG 3 -1.424 2.522 -5.657 20 HH11 ARG 3 1HH1 ARG 3 -4.668 3.698 -5.193 21 HH12 ARG 3 2HH1 ARG 3 -5.412 2.330 -5.954 22 HH21 ARG 3 1HH2 ARG 3 -2.392 0.716 -6.660 23 HH22 ARG 3 2HH2 ARG 3 -4.116 0.634 -6.787 24 H LYS 4 H LYS 4 1.000 7.465 -3.019 25 HA LYS 4 HA LYS 4 0.971 7.496 -0.116 26 HB2 LYS 4 1HB LYS 4 2.350 9.145 -1.215 27 HB3 LYS 4 2HB LYS 4 0.987 9.711 -2.171 28 HG2 LYS 4 1HG LYS 4 0.657 9.822 0.758 29 HG3 LYS 4 2HG LYS 4 1.841 10.927 0.055 30 HD2 LYS 4 1HD LYS 4 -0.129 11.375 -1.654 31 HD3 LYS 4 2HD LYS 4 -1.112 10.823 -0.295 32 HE2 LYS 4 1HE LYS 4 0.175 12.506 1.113 33 HE3 LYS 4 2HE LYS 4 0.772 13.165 -0.409 34 HZ1 LYS 4 3HZ LYS 4 -1.068 14.383 -0.433 35 HZ2 LYS 4 1HZ LYS 4 -1.770 13.513 0.837 36 HZ3 LYS 4 2HZ LYS 4 -1.933 12.966 -0.755 37 H ASN 5 H ASN 5 -1.188 8.195 -2.807 38 HA ASN 5 HA ASN 5 -3.442 8.143 -0.946 39 HB2 ASN 5 1HB ASN 5 -3.038 10.504 -1.194 40 HB3 ASN 5 2HB ASN 5 -2.917 10.349 -2.945 41 HD21 ASN 5 2HD2 ASN 5 -4.552 11.770 -3.391 42 HD22 ASN 5 1HD2 ASN 5 -6.213 11.437 -3.050 43 H ARG 6 H ARG 6 -3.236 9.040 -4.371 44 HA ARG 6 HA ARG 6 -4.551 6.511 -5.078 45 HB2 ARG 6 1HB ARG 6 -5.407 9.186 -6.188 46 HB3 ARG 6 2HB ARG 6 -6.164 7.624 -6.467 47 HG2 ARG 6 1HG ARG 6 -7.243 7.630 -4.472 48 HG3 ARG 6 2HG ARG 6 -5.973 8.551 -3.663 49 HD2 ARG 6 1HD ARG 6 -6.703 10.578 -4.806 50 HD3 ARG 6 2HD ARG 6 -7.949 9.662 -5.653 51 HE ARG 6 HE ARG 6 -8.292 9.309 -2.894 52 HH11 ARG 6 1HH1 ARG 6 -8.562 11.791 -5.320 53 HH12 ARG 6 2HH1 ARG 6 -9.799 12.663 -4.476 54 HH21 ARG 6 1HH2 ARG 6 -9.919 10.448 -1.774 55 HH22 ARG 6 2HH2 ARG 6 -10.569 11.899 -2.459 56 H ARG 7 H ARG 7 -3.381 9.507 -6.631 57 HA ARG 7 HA ARG 7 -2.650 8.411 -9.060 58 HB2 ARG 7 1HB ARG 7 -1.755 10.800 -7.511 59 HB3 ARG 7 2HB ARG 7 -0.834 10.334 -8.936 60 HG2 ARG 7 1HG ARG 7 -2.739 10.595 -10.345 61 HG3 ARG 7 2HG ARG 7 -3.803 10.814 -8.954 62 HD2 ARG 7 1HD ARG 7 -3.485 12.993 -9.610 63 HD3 ARG 7 2HD ARG 7 -2.198 12.808 -8.418 64 HE ARG 7 HE ARG 7 -1.330 12.166 -11.062 65 HH11 ARG 7 1HH1 ARG 7 -1.950 14.792 -8.863 66 HH12 ARG 7 2HH1 ARG 7 -0.835 15.873 -9.632 67 HH21 ARG 7 1HH2 ARG 7 0.140 13.579 -12.085 68 HH22 ARG 7 2HH2 ARG 7 0.352 15.182 -11.466 69 H GLU 8 H GLU 8 -0.265 8.376 -9.846 70 HA GLU 8 HA GLU 8 1.822 7.647 -8.134 71 HB2 GLU 8 1HB GLU 8 1.901 5.191 -8.619 72 HB3 GLU 8 2HB GLU 8 0.587 5.680 -7.559 73 HG2 GLU 8 1HG GLU 8 0.037 5.511 -10.468 74 HG3 GLU 8 2HG GLU 8 0.220 4.008 -9.565 75 H ARG 9 H ARG 9 3.727 6.955 -9.270 76 HA ARG 9 HA ARG 9 4.105 8.186 -11.732 77 HB2 ARG 9 1HB ARG 9 5.831 7.360 -9.982 78 HB3 ARG 9 2HB ARG 9 5.771 5.842 -10.866 79 HG2 ARG 9 1HG ARG 9 6.234 8.343 -12.400 80 HG3 ARG 9 2HG ARG 9 7.552 7.695 -11.422 81 HD2 ARG 9 1HD ARG 9 6.834 5.444 -12.622 82 HD3 ARG 9 2HD ARG 9 6.239 6.571 -13.839 83 HE ARG 9 HE ARG 9 8.846 7.315 -13.197 84 HH11 ARG 9 1HH1 ARG 9 7.167 4.645 -14.671 85 HH12 ARG 9 2HH1 ARG 9 8.497 4.201 -15.689 86 HH21 ARG 9 1HH2 ARG 9 10.604 6.741 -14.532 87 HH22 ARG 9 2HH2 ARG 9 10.452 5.394 -15.609 88 H THR 10 H THR 10 3.046 4.950 -10.968 89 HA THR 10 HA THR 10 1.950 4.497 -13.515 90 HB THR 10 HB THR 10 4.418 4.270 -14.058 91 HG1 THR 10 HG1 THR 10 2.720 3.293 -15.317 92 HG21 THR 10 3HG2 THR 10 4.608 2.831 -11.799 93 HG22 THR 10 1HG2 THR 10 5.721 2.645 -13.154 94 HG23 THR 10 2HG2 THR 10 4.374 1.524 -12.959 95 H THR 11 H THR 11 1.771 1.863 -13.764 96 HA THR 11 HA THR 11 -0.070 1.021 -11.926 97 HB THR 11 HB THR 11 0.422 -1.310 -12.648 98 HG1 THR 11 HG1 THR 11 2.418 -0.192 -14.327 99 HG21 THR 11 3HG2 THR 11 -1.087 -0.199 -14.049 100 HG22 THR 11 1HG2 THR 11 0.139 -0.812 -15.159 101 HG23 THR 11 2HG2 THR 11 0.153 0.885 -14.679 102 H TYR 12 H TYR 12 3.396 0.190 -11.921 103 HA TYR 12 HA TYR 12 3.490 0.203 -9.059 104 HB2 TYR 12 1HB TYR 12 4.327 -2.243 -9.014 105 HB3 TYR 12 2HB TYR 12 2.592 -1.956 -9.083 106 HD1 TYR 12 HD2 TYR 12 1.361 -2.321 -11.199 107 HD2 TYR 12 HD1 TYR 12 5.479 -3.318 -10.813 108 HE1 TYR 12 HE2 TYR 12 1.206 -3.719 -13.217 109 HE2 TYR 12 HE1 TYR 12 5.336 -4.718 -12.830 110 HH TYR 12 HH TYR 12 3.764 -5.840 -14.185 111 H SER 13 H SER 13 5.290 1.387 -8.925 112 HA SER 13 HA SER 13 7.733 0.306 -10.131 113 HB2 SER 13 1HB SER 13 6.504 2.946 -10.666 114 HB3 SER 13 2HB SER 13 8.243 2.954 -10.369 115 HG SER 13 HG SER 13 8.262 1.172 -11.989 116 H ARG 14 H ARG 14 9.699 1.052 -9.105 117 HA ARG 14 HA ARG 14 9.360 1.314 -6.253 118 HB2 ARG 14 1HB ARG 14 11.847 1.173 -6.210 119 HB3 ARG 14 2HB ARG 14 11.080 -0.172 -7.042 120 HG2 ARG 14 1HG ARG 14 11.786 2.050 -8.800 121 HG3 ARG 14 2HG ARG 14 13.166 1.297 -7.998 122 HD2 ARG 14 1HD ARG 14 11.871 -0.909 -8.755 123 HD3 ARG 14 2HD ARG 14 11.288 0.189 -10.005 124 HE ARG 14 HE ARG 14 14.119 0.329 -9.701 125 HH11 ARG 14 1HH1 ARG 14 11.543 -1.546 -11.105 126 HH12 ARG 14 2HH1 ARG 14 12.533 -2.201 -12.367 127 HH21 ARG 14 1HH2 ARG 14 15.432 -0.527 -11.358 128 HH22 ARG 14 2HH2 ARG 14 14.745 -1.621 -12.510 129 H GLN 15 H GLN 15 9.821 3.426 -8.887 130 HA GLN 15 HA GLN 15 11.352 5.486 -7.924 131 HB2 GLN 15 1HB GLN 15 8.812 5.651 -9.552 132 HB3 GLN 15 2HB GLN 15 9.922 6.994 -9.314 133 HG2 GLN 15 1HG GLN 15 11.009 4.446 -10.382 134 HG3 GLN 15 2HG GLN 15 10.037 5.459 -11.448 135 HE21 GLN 15 2HE2 GLN 15 11.462 6.363 -12.775 136 HE22 GLN 15 1HE2 GLN 15 12.857 7.257 -12.287 137 H GLN 16 H GLN 16 7.846 5.076 -7.441 138 HA GLN 16 HA GLN 16 7.391 7.322 -5.879 139 HB2 GLN 16 1HB GLN 16 6.049 4.620 -5.682 140 HB3 GLN 16 2HB GLN 16 5.422 6.118 -5.006 141 HG2 GLN 16 1HG GLN 16 4.986 7.023 -7.118 142 HG3 GLN 16 2HG GLN 16 6.001 5.833 -7.932 143 HE21 GLN 16 2HE2 GLN 16 4.996 4.210 -8.871 144 HE22 GLN 16 1HE2 GLN 16 3.400 3.656 -8.512 145 H LEU 17 H LEU 17 8.765 4.226 -5.011 146 HA LEU 17 HA LEU 17 8.739 4.867 -2.174 147 HB2 LEU 17 1HB LEU 17 9.774 2.483 -3.698 148 HB3 LEU 17 2HB LEU 17 9.863 2.653 -1.946 149 HG LEU 17 HG LEU 17 7.180 2.894 -3.180 150 HD11 LEU 17 1HD1 LEU 17 8.719 0.311 -3.043 151 HD12 LEU 17 2HD1 LEU 17 7.966 1.046 -4.458 152 HD13 LEU 17 3HD1 LEU 17 6.961 0.402 -3.160 153 HD21 LEU 17 3HD2 LEU 17 7.443 3.102 -0.788 154 HD22 LEU 17 1HD2 LEU 17 8.283 1.553 -0.715 155 HD23 LEU 17 2HD2 LEU 17 6.577 1.610 -1.159 156 H GLU 18 H GLU 18 10.714 5.438 -4.831 157 HA GLU 18 HA GLU 18 13.268 5.243 -3.575 158 HB2 GLU 18 1HB GLU 18 12.298 6.606 -6.082 159 HB3 GLU 18 2HB GLU 18 13.969 6.712 -5.547 160 HG2 GLU 18 1HG GLU 18 12.785 4.009 -5.752 161 HG3 GLU 18 2HG GLU 18 13.119 4.866 -7.255 162 H ILE 19 H ILE 19 10.978 7.876 -4.147 163 HA ILE 19 HA ILE 19 12.394 10.088 -3.447 164 HB ILE 19 HB ILE 19 9.609 9.533 -2.424 165 HG12 ILE 19 1HG1 ILE 19 9.531 11.073 -4.787 166 HG13 ILE 19 2HG1 ILE 19 10.603 9.717 -5.121 167 HG21 ILE 19 1HG2 ILE 19 10.529 12.207 -3.326 168 HG22 ILE 19 2HG2 ILE 19 9.372 11.771 -2.069 169 HG23 ILE 19 3HG2 ILE 19 11.102 11.618 -1.765 170 HD11 ILE 19 3HD1 ILE 19 8.032 9.542 -5.546 171 HD12 ILE 19 1HD1 ILE 19 8.936 8.171 -4.904 172 HD13 ILE 19 2HD1 ILE 19 7.984 9.186 -3.819 173 H LEU 20 H LEU 20 11.085 7.652 -1.258 174 HA LEU 20 HA LEU 20 12.147 9.080 1.055 175 HB2 LEU 20 1HB LEU 20 10.928 6.417 1.397 176 HB3 LEU 20 2HB LEU 20 10.714 7.893 2.337 177 HG LEU 20 HG LEU 20 8.613 7.419 1.391 178 HD11 LEU 20 1HD1 LEU 20 8.138 9.392 0.325 179 HD12 LEU 20 2HD1 LEU 20 9.600 9.342 -0.659 180 HD13 LEU 20 3HD1 LEU 20 9.700 9.779 1.047 181 HD21 LEU 20 3HD2 LEU 20 10.064 6.118 -0.591 182 HD22 LEU 20 1HD2 LEU 20 9.238 7.431 -1.431 183 HD23 LEU 20 2HD2 LEU 20 8.309 6.266 -0.487 184 H GLU 21 H GLU 21 12.250 5.706 -0.112 185 HA GLU 21 HA GLU 21 14.252 4.709 1.429 186 HB2 GLU 21 1HB GLU 21 12.903 3.802 -0.750 187 HB3 GLU 21 2HB GLU 21 14.517 3.991 -1.421 188 HG2 GLU 21 1HG GLU 21 13.788 2.363 1.003 189 HG3 GLU 21 2HG GLU 21 14.161 1.734 -0.601 190 H THR 22 H THR 22 14.560 7.003 -1.166 191 HA THR 22 HA THR 22 17.468 6.801 -1.179 192 HB THR 22 HB THR 22 15.716 8.689 -2.762 193 HG1 THR 22 HG1 THR 22 16.590 6.045 -3.247 194 HG21 THR 22 3HG2 THR 22 17.649 8.972 -4.181 195 HG22 THR 22 1HG2 THR 22 18.559 7.791 -3.241 196 HG23 THR 22 2HG2 THR 22 18.104 9.333 -2.516 197 H LEU 23 H LEU 23 14.994 9.301 -0.607 198 HA LEU 23 HA LEU 23 16.905 11.171 0.428 199 HB2 LEU 23 1HB LEU 23 14.732 11.733 -0.733 200 HB3 LEU 23 2HB LEU 23 13.915 11.260 0.755 201 HG LEU 23 HG LEU 23 16.001 13.424 0.698 202 HD11 LEU 23 1HD1 LEU 23 13.167 13.508 -0.159 203 HD12 LEU 23 2HD1 LEU 23 14.545 14.471 -0.692 204 HD13 LEU 23 3HD1 LEU 23 13.754 14.837 0.841 205 HD21 LEU 23 3HD2 LEU 23 14.311 12.184 2.696 206 HD22 LEU 23 1HD2 LEU 23 14.068 13.929 2.620 207 HD23 LEU 23 2HD2 LEU 23 15.683 13.276 2.896 208 H PHE 24 H PHE 24 14.062 9.667 1.976 209 HA PHE 24 HA PHE 24 14.546 10.307 4.576 210 HB2 PHE 24 1HB PHE 24 12.537 9.139 4.000 211 HB3 PHE 24 2HB PHE 24 13.442 7.735 3.443 212 HD1 PHE 24 HD1 PHE 24 13.487 9.783 6.565 213 HD2 PHE 24 HD2 PHE 24 13.093 5.928 4.803 214 HE1 PHE 24 HE1 PHE 24 13.302 8.782 8.805 215 HE2 PHE 24 HE2 PHE 24 12.906 4.921 7.040 216 HZ PHE 24 HZ PHE 24 13.009 6.348 9.044 217 H ASN 25 H ASN 25 16.132 7.814 2.682 218 HA ASN 25 HA ASN 25 17.570 6.746 4.944 219 HB2 ASN 25 1HB ASN 25 16.867 5.397 2.920 220 HB3 ASN 25 2HB ASN 25 18.122 6.241 2.017 221 HD21 ASN 25 2HD2 ASN 25 20.168 5.554 2.156 222 HD22 ASN 25 1HD2 ASN 25 20.709 4.271 3.178 223 H GLU 26 H GLU 26 18.287 8.805 2.157 224 HA GLU 26 HA GLU 26 21.028 9.051 2.429 225 HB2 GLU 26 1HB GLU 26 19.952 9.989 0.514 226 HB3 GLU 26 2HB GLU 26 18.965 11.049 1.510 227 HG2 GLU 26 1HG GLU 26 20.827 12.191 0.338 228 HG3 GLU 26 2HG GLU 26 20.847 12.387 2.089 229 H THR 27 H THR 27 18.487 10.992 3.977 230 HA THR 27 HA THR 27 19.913 11.339 6.375 231 HB THR 27 HB THR 27 21.318 12.809 4.921 232 HG1 THR 27 HG1 THR 27 21.146 13.236 7.164 233 HG21 THR 27 3HG2 THR 27 20.498 14.548 3.726 234 HG22 THR 27 1HG2 THR 27 19.255 14.921 4.920 235 HG23 THR 27 2HG2 THR 27 19.009 13.605 3.772 236 H GLN 28 H GLN 28 18.913 13.258 7.680 237 HA GLN 28 HA GLN 28 16.014 13.154 7.216 238 HB2 GLN 28 1HB GLN 28 17.264 12.381 9.422 239 HB3 GLN 28 2HB GLN 28 17.173 14.096 9.798 240 HG2 GLN 28 1HG GLN 28 14.697 12.736 8.895 241 HG3 GLN 28 2HG GLN 28 15.288 12.399 10.521 242 HE21 GLN 28 2HE2 GLN 28 16.071 14.569 11.610 243 HE22 GLN 28 1HE2 GLN 28 14.895 15.835 11.570 244 H TYR 29 H TYR 29 17.440 14.959 5.673 245 HA TYR 29 HA TYR 29 16.825 17.551 6.929 246 HB2 TYR 29 1HB TYR 29 18.686 16.995 4.610 247 HB3 TYR 29 2HB TYR 29 18.423 18.555 5.383 248 HD1 TYR 29 HD1 TYR 29 18.454 17.753 8.244 249 HD2 TYR 29 HD2 TYR 29 20.950 16.567 5.008 250 HE1 TYR 29 HE1 TYR 29 20.273 17.278 9.829 251 HE2 TYR 29 HE2 TYR 29 22.776 16.087 6.585 252 HH TYR 29 HH TYR 29 23.495 16.418 8.724 253 HA PRO 30 HA PRO 30 13.621 16.950 3.653 254 HB2 PRO 30 1HB PRO 30 11.612 18.048 5.112 255 HB3 PRO 30 2HB PRO 30 12.067 16.345 5.233 256 HG2 PRO 30 1HG PRO 30 12.799 18.633 7.019 257 HG3 PRO 30 2HG PRO 30 12.303 16.987 7.456 258 HD2 PRO 30 1HD PRO 30 14.893 17.778 7.460 259 HD3 PRO 30 2HD PRO 30 14.402 16.117 7.069 260 H ASP 31 H ASP 31 15.048 18.637 2.659 261 HA ASP 31 HA ASP 31 13.745 21.271 2.836 262 HB2 ASP 31 1HB ASP 31 16.678 20.616 2.727 263 HB3 ASP 31 2HB ASP 31 16.075 22.170 2.158 264 H VAL 32 H VAL 32 14.413 22.632 0.823 265 HA VAL 32 HA VAL 32 13.269 21.517 -1.430 266 HB VAL 32 HB VAL 32 14.417 23.357 -2.714 267 HG11 VAL 32 1HG1 VAL 32 12.749 23.806 -0.280 268 HG12 VAL 32 2HG1 VAL 32 13.318 25.191 -1.214 269 HG13 VAL 32 3HG1 VAL 32 12.316 23.958 -1.982 270 HG21 VAL 32 3HG2 VAL 32 16.464 23.594 -1.531 271 HG22 VAL 32 1HG2 VAL 32 15.553 25.083 -1.276 272 HG23 VAL 32 2HG2 VAL 32 15.626 23.864 -0.003 273 H PHE 33 H PHE 33 16.704 21.752 -0.589 274 HA PHE 33 HA PHE 33 17.805 20.783 -2.945 275 HB2 PHE 33 1HB PHE 33 18.671 21.091 -0.169 276 HB3 PHE 33 2HB PHE 33 19.451 19.741 -0.987 277 HD1 PHE 33 HD1 PHE 33 20.602 20.199 -3.206 278 HD2 PHE 33 HD2 PHE 33 19.382 23.277 -0.532 279 HE1 PHE 33 HE1 PHE 33 22.161 21.759 -4.296 280 HE2 PHE 33 HE2 PHE 33 20.938 24.843 -1.618 281 HZ PHE 33 HZ PHE 33 22.330 24.084 -3.504 282 H ALA 34 H ALA 34 16.037 19.129 -0.491 283 HA ALA 34 HA ALA 34 16.942 16.495 -1.308 284 HB1 ALA 34 1HB ALA 34 15.998 15.712 0.590 285 HB2 ALA 34 2HB ALA 34 16.104 17.406 1.069 286 HB3 ALA 34 3HB ALA 34 14.585 16.758 0.452 287 H ARG 35 H ARG 35 13.706 17.983 -1.029 288 HA ARG 35 HA ARG 35 12.356 16.129 -2.595 289 HB2 ARG 35 1HB ARG 35 10.650 17.928 -2.906 290 HB3 ARG 35 2HB ARG 35 11.128 17.675 -1.233 291 HG2 ARG 35 1HG ARG 35 12.669 19.615 -1.445 292 HG3 ARG 35 2HG ARG 35 12.003 19.904 -3.054 293 HD2 ARG 35 1HD ARG 35 9.717 19.821 -1.735 294 HD3 ARG 35 2HD ARG 35 10.752 20.266 -0.379 295 HE ARG 35 HE ARG 35 11.464 22.052 -2.257 296 HH11 ARG 35 1HH1 ARG 35 8.364 21.037 -1.042 297 HH12 ARG 35 2HH1 ARG 35 7.606 22.570 -1.321 298 HH21 ARG 35 1HH2 ARG 35 10.478 24.075 -2.629 299 HH22 ARG 35 2HH2 ARG 35 8.810 24.297 -2.225 300 H GLU 36 H GLU 36 13.877 19.191 -3.554 301 HA GLU 36 HA GLU 36 13.124 19.128 -6.256 302 HB2 GLU 36 1HB GLU 36 14.045 21.118 -5.101 303 HB3 GLU 36 2HB GLU 36 15.621 20.339 -5.054 304 HG2 GLU 36 1HG GLU 36 15.822 20.416 -7.419 305 HG3 GLU 36 2HG GLU 36 14.143 20.922 -7.605 306 H ARG 37 H ARG 37 15.555 17.398 -4.511 307 HA ARG 37 HA ARG 37 17.116 16.683 -6.817 308 HB2 ARG 37 1HB ARG 37 18.132 16.811 -4.585 309 HB3 ARG 37 2HB ARG 37 17.085 15.512 -4.030 310 HG2 ARG 37 1HG ARG 37 18.185 14.209 -6.028 311 HG3 ARG 37 2HG ARG 37 19.463 15.406 -5.809 312 HD2 ARG 37 1HD ARG 37 18.408 14.007 -3.405 313 HD3 ARG 37 2HD ARG 37 19.463 13.110 -4.496 314 HE ARG 37 HE ARG 37 20.216 15.227 -2.711 315 HH11 ARG 37 1HH1 ARG 37 21.024 13.559 -5.658 316 HH12 ARG 37 2HH1 ARG 37 22.704 13.977 -5.588 317 HH21 ARG 37 1HH2 ARG 37 22.426 15.784 -2.608 318 HH22 ARG 37 2HH2 ARG 37 23.500 15.241 -3.852 319 H VAL 38 H VAL 38 15.200 14.699 -4.548 320 HA VAL 38 HA VAL 38 15.135 12.381 -6.066 321 HB VAL 38 HB VAL 38 12.936 11.920 -4.840 322 HG11 VAL 38 1HG1 VAL 38 14.966 11.007 -4.004 323 HG12 VAL 38 2HG1 VAL 38 15.484 12.571 -3.372 324 HG13 VAL 38 3HG1 VAL 38 14.123 11.727 -2.633 325 HG21 VAL 38 3HG2 VAL 38 12.632 14.501 -4.559 326 HG22 VAL 38 1HG2 VAL 38 12.111 13.402 -3.282 327 HG23 VAL 38 2HG2 VAL 38 13.641 14.266 -3.132 328 H ALA 39 H ALA 39 13.395 15.334 -6.490 329 HA ALA 39 HA ALA 39 11.154 14.488 -7.905 330 HB1 ALA 39 1HB ALA 39 12.521 16.965 -7.428 331 HB2 ALA 39 2HB ALA 39 11.983 16.882 -9.106 332 HB3 ALA 39 3HB ALA 39 10.820 16.679 -7.796 333 H ASP 40 H ASP 40 14.485 14.755 -8.902 334 HA ASP 40 HA ASP 40 13.865 14.422 -11.712 335 HB2 ASP 40 1HB ASP 40 15.844 15.752 -10.710 336 HB3 ASP 40 2HB ASP 40 16.609 14.179 -10.505 337 H GLN 41 H GLN 41 14.340 12.422 -9.012 338 HA GLN 41 HA GLN 41 15.421 10.158 -10.411 339 HB2 GLN 41 1HB GLN 41 14.163 10.422 -7.677 340 HB3 GLN 41 2HB GLN 41 14.881 8.939 -8.292 341 HG2 GLN 41 1HG GLN 41 16.462 11.475 -8.187 342 HG3 GLN 41 2HG GLN 41 16.274 10.461 -6.757 343 HE21 GLN 41 2HE2 GLN 41 18.729 10.645 -7.296 344 HE22 GLN 41 1HE2 GLN 41 19.371 9.316 -8.193 345 H ILE 42 H ILE 42 12.238 10.940 -9.016 346 HA ILE 42 HA ILE 42 11.054 8.674 -10.417 347 HB ILE 42 HB ILE 42 9.128 8.972 -9.110 348 HG12 ILE 42 1HG1 ILE 42 10.145 11.700 -8.289 349 HG13 ILE 42 2HG1 ILE 42 8.930 11.424 -9.532 350 HG21 ILE 42 1HG2 ILE 42 9.917 8.878 -6.879 351 HG22 ILE 42 2HG2 ILE 42 11.214 8.246 -7.892 352 HG23 ILE 42 3HG2 ILE 42 11.313 9.888 -7.256 353 HD11 ILE 42 3HD1 ILE 42 8.721 11.201 -6.586 354 HD12 ILE 42 1HD1 ILE 42 7.587 11.871 -7.758 355 HD13 ILE 42 2HD1 ILE 42 7.737 10.123 -7.575 356 H ARG 43 H ARG 43 11.759 11.827 -11.121 357 HA ARG 43 HA ARG 43 11.174 13.203 -12.838 358 HB2 ARG 43 1HB ARG 43 10.986 10.941 -14.036 359 HB3 ARG 43 2HB ARG 43 9.250 11.094 -13.796 360 HG2 ARG 43 1HG ARG 43 9.856 11.849 -16.005 361 HG3 ARG 43 2HG ARG 43 9.279 13.210 -15.040 362 HD2 ARG 43 1HD ARG 43 11.513 13.983 -14.675 363 HD3 ARG 43 2HD ARG 43 12.190 12.527 -15.402 364 HE ARG 43 HE ARG 43 11.177 14.843 -16.775 365 HH11 ARG 43 1HH1 ARG 43 11.881 11.442 -17.015 366 HH12 ARG 43 2HH1 ARG 43 12.039 11.464 -18.740 367 HH21 ARG 43 1HH2 ARG 43 11.383 14.885 -19.046 368 HH22 ARG 43 2HH2 ARG 43 11.757 13.422 -19.894 369 H LEU 44 H LEU 44 10.054 13.943 -10.618 370 HA LEU 44 HA LEU 44 7.328 14.699 -11.388 371 HB2 LEU 44 1HB LEU 44 7.293 12.802 -9.753 372 HB3 LEU 44 2HB LEU 44 8.083 13.868 -8.593 373 HG LEU 44 HG LEU 44 6.144 15.327 -8.572 374 HD11 LEU 44 1HD1 LEU 44 5.325 15.190 -10.784 375 HD12 LEU 44 2HD1 LEU 44 4.060 14.528 -9.749 376 HD13 LEU 44 3HD1 LEU 44 5.100 13.444 -10.672 377 HD21 LEU 44 3HD2 LEU 44 6.238 13.360 -7.065 378 HD22 LEU 44 1HD2 LEU 44 5.294 12.452 -8.246 379 HD23 LEU 44 2HD2 LEU 44 4.593 13.865 -7.455 380 H GLN 45 H GLN 45 6.518 16.562 -10.074 381 HA GLN 45 HA GLN 45 8.249 18.728 -10.223 382 HB2 GLN 45 1HB GLN 45 5.546 18.241 -9.316 383 HB3 GLN 45 2HB GLN 45 6.352 19.409 -8.278 384 HG2 GLN 45 1HG GLN 45 6.190 19.619 -11.275 385 HG3 GLN 45 2HG GLN 45 5.098 20.425 -10.150 386 HE21 GLN 45 2HE2 GLN 45 5.681 22.322 -9.303 387 HE22 GLN 45 1HE2 GLN 45 7.223 23.071 -9.516 388 H GLU 46 H GLU 46 9.244 20.023 -8.610 389 HA GLU 46 HA GLU 46 10.596 18.510 -6.611 390 HB2 GLU 46 1HB GLU 46 11.622 20.670 -5.988 391 HB3 GLU 46 2HB GLU 46 11.718 20.353 -7.714 392 HG2 GLU 46 1HG GLU 46 9.750 21.820 -8.044 393 HG3 GLU 46 2HG GLU 46 9.799 22.208 -6.325 394 H SER 47 H SER 47 8.019 20.931 -6.545 395 HA SER 47 HA SER 47 7.824 20.830 -3.661 396 HB2 SER 47 1HB SER 47 6.044 22.466 -3.911 397 HB3 SER 47 2HB SER 47 7.407 22.931 -4.930 398 HG SER 47 HG SER 47 4.915 21.851 -5.676 399 H ARG 48 H ARG 48 6.455 19.205 -6.355 400 HA ARG 48 HA ARG 48 4.047 18.362 -5.026 401 HB2 ARG 48 1HB ARG 48 4.174 18.606 -7.483 402 HB3 ARG 48 2HB ARG 48 5.344 17.294 -7.540 403 HG2 ARG 48 1HG ARG 48 3.118 16.531 -8.156 404 HG3 ARG 48 2HG ARG 48 3.675 15.749 -6.676 405 HD2 ARG 48 1HD ARG 48 1.322 16.446 -6.533 406 HD3 ARG 48 2HD ARG 48 2.333 17.258 -5.338 407 HE ARG 48 HE ARG 48 2.235 18.930 -7.533 408 HH11 ARG 48 1HH1 ARG 48 -0.024 17.547 -5.274 409 HH12 ARG 48 2HH1 ARG 48 -1.136 18.871 -5.374 410 HH21 ARG 48 1HH2 ARG 48 0.778 20.680 -7.674 411 HH22 ARG 48 2HH2 ARG 48 -0.679 20.653 -6.740 412 H ILE 49 H ILE 49 7.155 16.868 -5.857 413 HA ILE 49 HA ILE 49 6.677 14.286 -4.985 414 HB ILE 49 HB ILE 49 8.825 15.469 -6.036 415 HG12 ILE 49 1HG1 ILE 49 8.978 13.004 -4.288 416 HG13 ILE 49 2HG1 ILE 49 8.329 13.037 -5.924 417 HG21 ILE 49 1HG2 ILE 49 9.218 16.566 -3.755 418 HG22 ILE 49 2HG2 ILE 49 9.773 14.976 -3.234 419 HG23 ILE 49 3HG2 ILE 49 10.598 15.810 -4.551 420 HD11 ILE 49 3HD1 ILE 49 10.358 12.995 -6.851 421 HD12 ILE 49 1HD1 ILE 49 11.026 14.135 -5.684 422 HD13 ILE 49 2HD1 ILE 49 10.889 12.426 -5.269 423 H GLN 50 H GLN 50 7.060 17.175 -3.140 424 HA GLN 50 HA GLN 50 7.954 16.186 -0.698 425 HB2 GLN 50 1HB GLN 50 6.973 18.623 -1.669 426 HB3 GLN 50 2HB GLN 50 5.912 18.203 -0.331 427 HG2 GLN 50 1HG GLN 50 8.089 17.776 0.974 428 HG3 GLN 50 2HG GLN 50 8.859 18.706 -0.310 429 HE21 GLN 50 2HE2 GLN 50 9.433 20.320 1.166 430 HE22 GLN 50 1HE2 GLN 50 8.274 21.448 1.774 431 H VAL 51 H VAL 51 4.663 16.369 -1.997 432 HA VAL 51 HA VAL 51 3.349 15.410 0.310 433 HB VAL 51 HB VAL 51 1.410 15.179 -1.011 434 HG11 VAL 51 1HG1 VAL 51 1.177 17.319 -1.700 435 HG12 VAL 51 2HG1 VAL 51 2.766 17.498 -0.953 436 HG13 VAL 51 3HG1 VAL 51 2.631 17.271 -2.697 437 HG21 VAL 51 3HG2 VAL 51 1.824 15.397 -3.634 438 HG22 VAL 51 1HG2 VAL 51 3.340 14.612 -3.187 439 HG23 VAL 51 2HG2 VAL 51 1.801 13.839 -2.807 440 H TRP 52 H TRP 52 4.968 13.815 -2.338 441 HA TRP 52 HA TRP 52 3.921 11.205 -1.660 442 HB2 TRP 52 1HB TRP 52 5.749 12.298 -3.750 443 HB3 TRP 52 2HB TRP 52 5.856 10.582 -3.367 444 HD1 TRP 52 HD1 TRP 52 3.458 13.170 -4.867 445 HE1 TRP 52 HE1 TRP 52 1.626 11.924 -6.177 446 HE3 TRP 52 HE3 TRP 52 4.620 8.375 -3.527 447 HZ2 TRP 52 HZ2 TRP 52 0.784 9.262 -6.588 448 HZ3 TRP 52 HZ3 TRP 52 3.251 6.536 -4.422 449 HH2 TRP 52 HH2 TRP 52 1.373 6.972 -5.920 450 H PHE 53 H PHE 53 6.550 13.185 -0.727 451 HA PHE 53 HA PHE 53 8.500 11.300 -0.071 452 HB2 PHE 53 1HB PHE 53 8.997 13.670 -0.048 453 HB3 PHE 53 2HB PHE 53 7.836 13.938 1.249 454 HD1 PHE 53 HD2 PHE 53 10.748 11.685 0.617 455 HD2 PHE 53 HD1 PHE 53 8.758 14.319 3.303 456 HE1 PHE 53 HE2 PHE 53 12.530 11.332 2.277 457 HE2 PHE 53 HE1 PHE 53 10.537 13.971 4.967 458 HZ PHE 53 HZ PHE 53 12.425 12.475 4.456 459 H LYS 54 H LYS 54 5.442 11.876 1.326 460 HA LYS 54 HA LYS 54 6.117 10.716 3.900 461 HB2 LYS 54 1HB LYS 54 4.396 12.587 3.481 462 HB3 LYS 54 2HB LYS 54 3.337 11.305 2.909 463 HG2 LYS 54 1HG LYS 54 4.074 10.251 5.258 464 HG3 LYS 54 2HG LYS 54 4.212 11.967 5.647 465 HD2 LYS 54 1HD LYS 54 1.951 12.364 5.246 466 HD3 LYS 54 2HD LYS 54 1.766 10.894 4.285 467 HE2 LYS 54 1HE LYS 54 0.734 10.812 6.571 468 HE3 LYS 54 2HE LYS 54 1.878 9.517 6.220 469 HZ1 LYS 54 3HZ LYS 54 3.384 10.320 7.699 470 HZ2 LYS 54 1HZ LYS 54 1.974 10.873 8.453 471 HZ3 LYS 54 2HZ LYS 54 2.903 11.931 7.515 472 H ASN 55 H ASN 55 5.147 9.638 0.831 473 HA ASN 55 HA ASN 55 3.470 7.546 1.145 474 HB2 ASN 55 1HB ASN 55 4.375 8.023 -1.022 475 HB3 ASN 55 2HB ASN 55 6.011 7.651 -0.486 476 HD21 ASN 55 2HD2 ASN 55 6.526 5.987 -1.764 477 HD22 ASN 55 1HD2 ASN 55 5.657 4.496 -1.841 478 H ARG 56 H ARG 56 6.975 6.921 1.186 479 HA ARG 56 HA ARG 56 6.547 4.561 2.808 480 HB2 ARG 56 1HB ARG 56 8.243 4.927 0.832 481 HB3 ARG 56 2HB ARG 56 9.264 5.593 2.099 482 HG2 ARG 56 1HG ARG 56 8.202 3.126 3.022 483 HG3 ARG 56 2HG ARG 56 8.857 2.884 1.402 484 HD2 ARG 56 1HD ARG 56 10.999 3.494 2.036 485 HD3 ARG 56 2HD ARG 56 10.433 4.400 3.438 486 HE ARG 56 HE ARG 56 11.049 1.600 3.321 487 HH11 ARG 56 1HH1 ARG 56 9.182 4.042 4.955 488 HH12 ARG 56 2HH1 ARG 56 9.043 3.136 6.426 489 HH21 ARG 56 1HH2 ARG 56 10.873 0.398 5.251 490 HH22 ARG 56 2HH2 ARG 56 10.006 1.064 6.593 491 H ARG 57 H ARG 57 7.992 7.757 3.139 492 HA ARG 57 HA ARG 57 9.354 7.542 5.505 493 HB2 ARG 57 1HB ARG 57 9.391 9.610 4.312 494 HB3 ARG 57 2HB ARG 57 7.650 9.802 4.466 495 HG2 ARG 57 1HG ARG 57 9.140 9.611 6.997 496 HG3 ARG 57 2HG ARG 57 9.445 11.052 6.025 497 HD2 ARG 57 1HD ARG 57 6.811 11.070 5.863 498 HD3 ARG 57 2HD ARG 57 6.944 10.144 7.357 499 HE ARG 57 HE ARG 57 7.419 12.940 7.021 500 HH11 ARG 57 1HH1 ARG 57 8.340 10.131 8.861 501 HH12 ARG 57 2HH1 ARG 57 8.832 11.042 10.251 502 HH21 ARG 57 1HH2 ARG 57 8.064 14.149 8.844 503 HH22 ARG 57 2HH2 ARG 57 8.673 13.327 10.240 504 H ALA 58 H ALA 58 5.919 7.456 4.998 505 HA ALA 58 HA ALA 58 5.325 7.755 7.829 506 HB1 ALA 58 1HB ALA 58 3.638 7.452 5.367 507 HB2 ALA 58 2HB ALA 58 2.946 7.299 6.983 508 HB3 ALA 58 3HB ALA 58 3.723 8.805 6.496 509 H LYS 59 H LYS 59 5.402 5.246 5.362 510 HA LYS 59 HA LYS 59 4.119 3.187 6.719 511 HB2 LYS 59 1HB LYS 59 6.000 3.410 4.479 512 HB3 LYS 59 2HB LYS 59 6.109 1.882 5.343 513 HG2 LYS 59 1HG LYS 59 4.578 1.626 3.529 514 HG3 LYS 59 2HG LYS 59 3.663 1.595 5.039 515 HD2 LYS 59 1HD LYS 59 3.447 4.178 4.570 516 HD3 LYS 59 2HD LYS 59 3.750 3.676 2.906 517 HE2 LYS 59 1HE LYS 59 1.443 3.593 3.030 518 HE3 LYS 59 2HE LYS 59 1.894 1.922 3.367 519 HZ1 LYS 59 3HZ LYS 59 0.695 2.117 5.209 520 HZ2 LYS 59 1HZ LYS 59 0.528 3.791 5.028 521 HZ3 LYS 59 2HZ LYS 59 1.885 3.157 5.813 522 H TYR 60 H TYR 60 7.175 4.645 7.314 523 HA TYR 60 HA TYR 60 8.670 2.666 8.489 524 HB2 TYR 60 1HB TYR 60 9.954 4.342 9.396 525 HB3 TYR 60 2HB TYR 60 9.063 5.271 8.195 526 HD1 TYR 60 HD1 TYR 60 6.798 6.313 9.063 527 HD2 TYR 60 HD2 TYR 60 10.024 5.123 11.570 528 HE1 TYR 60 HE1 TYR 60 5.969 7.809 10.830 529 HE2 TYR 60 HE2 TYR 60 9.203 6.615 13.344 530 HH TYR 60 HH TYR 60 7.794 8.696 13.493 531 H ARG 61 H ARG 61 5.808 4.231 9.713 532 HA ARG 61 HA ARG 61 6.117 3.200 12.391 533 HB2 ARG 61 1HB ARG 61 4.839 5.348 11.526 534 HB3 ARG 61 2HB ARG 61 3.505 4.214 11.359 535 HG2 ARG 61 1HG ARG 61 4.232 3.599 13.840 536 HG3 ARG 61 2HG ARG 61 4.813 5.265 13.795 537 HD2 ARG 61 1HD ARG 61 2.249 5.265 12.627 538 HD3 ARG 61 2HD ARG 61 2.139 4.287 14.090 539 HE ARG 61 HE ARG 61 2.401 6.188 15.333 540 HH11 ARG 61 1HH1 ARG 61 3.392 6.829 12.058 541 HH12 ARG 61 2HH1 ARG 61 3.588 8.531 12.312 542 HH21 ARG 61 1HH2 ARG 61 2.655 8.428 15.680 543 HH22 ARG 61 2HH2 ARG 61 3.169 9.440 14.373 544 H LEU 62 H LEU 62 4.244 2.411 9.506 545 HA LEU 62 HA LEU 62 2.531 0.497 10.567 546 HB2 LEU 62 1HB LEU 62 2.467 1.441 8.259 547 HB3 LEU 62 2HB LEU 62 3.831 0.403 7.850 548 HG LEU 62 HG LEU 62 1.380 -0.883 8.937 549 HD11 LEU 62 1HD1 LEU 62 0.488 0.709 7.316 550 HD12 LEU 62 2HD1 LEU 62 0.356 -0.948 6.727 551 HD13 LEU 62 3HD1 LEU 62 1.618 0.112 6.101 552 HD21 LEU 62 3HD2 LEU 62 2.177 -2.387 6.888 553 HD22 LEU 62 1HD2 LEU 62 2.904 -2.505 8.491 554 HD23 LEU 62 2HD2 LEU 62 3.702 -1.566 7.228 555 H GLN 63 H GLN 63 5.847 0.147 9.378 556 HA GLN 63 HA GLN 63 5.904 -2.686 9.862 557 HB2 GLN 63 1HB GLN 63 8.283 -2.518 9.270 558 HB3 GLN 63 2HB GLN 63 7.260 -1.723 8.080 559 HG2 GLN 63 1HG GLN 63 7.905 0.409 8.774 560 HG3 GLN 63 2HG GLN 63 8.551 -0.187 10.302 561 HE21 GLN 63 2HE2 GLN 63 10.449 1.040 9.706 562 HE22 GLN 63 1HE2 GLN 63 11.618 0.335 8.647 563 H GLU 64 H GLU 64 6.626 0.187 11.654 564 HA GLU 64 HA GLU 64 8.426 -0.785 13.545 565 HB2 GLU 64 1HB GLU 64 7.585 1.614 13.187 566 HB3 GLU 64 2HB GLU 64 6.229 1.163 14.211 567 HG2 GLU 64 1HG GLU 64 7.821 0.576 16.002 568 HG3 GLU 64 2HG GLU 64 9.139 1.139 14.976 569 H LYS 65 H LYS 65 4.871 -0.662 13.718 570 HA LYS 65 HA LYS 65 4.731 -2.071 16.188 571 HB2 LYS 65 1HB LYS 65 2.349 -2.107 15.839 572 HB3 LYS 65 2HB LYS 65 2.961 -0.534 15.346 573 HG2 LYS 65 1HG LYS 65 1.598 -0.947 13.587 574 HG3 LYS 65 2HG LYS 65 3.057 -1.736 12.983 575 HD2 LYS 65 1HD LYS 65 2.229 -3.854 13.359 576 HD3 LYS 65 2HD LYS 65 1.119 -3.310 14.620 577 HE2 LYS 65 1HE LYS 65 -0.033 -2.023 12.676 578 HE3 LYS 65 2HE LYS 65 0.833 -3.162 11.645 579 HZ1 LYS 65 3HZ LYS 65 -0.231 -4.825 13.420 580 HZ2 LYS 65 1HZ LYS 65 -1.006 -4.388 11.981 581 HZ3 LYS 65 2HZ LYS 65 -1.413 -3.615 13.429 582 H GLN 66 H GLN 66 4.853 -3.021 12.846 583 HA GLN 66 HA GLN 66 3.868 -5.670 13.206 584 HB2 GLN 66 1HB GLN 66 5.256 -4.184 11.026 585 HB3 GLN 66 2HB GLN 66 5.252 -5.941 10.958 586 HG2 GLN 66 1HG GLN 66 2.700 -4.448 11.373 587 HG3 GLN 66 2HG GLN 66 3.391 -4.605 9.759 588 HE21 GLN 66 2HE2 GLN 66 3.887 -6.826 9.050 589 HE22 GLN 66 1HE2 GLN 66 2.816 -8.094 9.530 590 H LYS 67 H LYS 67 7.157 -4.688 12.248 591 HA LYS 67 HA LYS 67 8.194 -7.038 13.660 592 HB2 LYS 67 1HB LYS 67 10.305 -6.508 12.373 593 HB3 LYS 67 2HB LYS 67 8.919 -6.982 11.399 594 HG2 LYS 67 1HG LYS 67 8.493 -4.666 10.828 595 HG3 LYS 67 2HG LYS 67 9.824 -4.147 11.864 596 HD2 LYS 67 1HD LYS 67 10.511 -4.188 9.526 597 HD3 LYS 67 2HD LYS 67 11.398 -5.395 10.460 598 HE2 LYS 67 1HE LYS 67 10.004 -7.156 9.614 599 HE3 LYS 67 2HE LYS 67 8.937 -5.995 8.826 600 HZ1 LYS 67 3HZ LYS 67 11.565 -5.562 7.939 601 HZ2 LYS 67 1HZ LYS 67 10.220 -6.062 7.042 602 HZ3 LYS 67 2HZ LYS 67 11.217 -7.210 7.782 603 HA PRO 68 HA PRO 68 10.084 -4.712 16.867 604 HB2 PRO 68 1HB PRO 68 12.367 -6.121 17.284 605 HB3 PRO 68 2HB PRO 68 10.772 -6.714 17.760 606 HG2 PRO 68 1HG PRO 68 12.397 -7.386 15.337 607 HG3 PRO 68 2HG PRO 68 11.463 -8.463 16.392 608 HD2 PRO 68 1HD PRO 68 10.535 -7.604 13.998 609 HD3 PRO 68 2HD PRO 68 9.464 -7.931 15.375 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.698 -0.091 2.167 2 HA2 GLY 1 1HA GLY 1 4.583 -1.033 0.207 3 HA3 GLY 1 2HA GLY 1 2.912 -1.208 -0.309 4 HA PRO 2 HA PRO 2 4.516 3.051 -1.409 5 HB2 PRO 2 1HB PRO 2 3.988 2.867 -4.065 6 HB3 PRO 2 2HB PRO 2 5.517 2.342 -3.351 7 HG2 PRO 2 1HG PRO 2 3.135 0.709 -4.138 8 HG3 PRO 2 2HG PRO 2 4.857 0.369 -4.390 9 HD2 PRO 2 1HD PRO 2 3.424 -0.774 -2.397 10 HD3 PRO 2 2HD PRO 2 5.151 -0.396 -2.236 11 H ARG 3 H ARG 3 3.158 4.453 -3.265 12 HA ARG 3 HA ARG 3 1.229 5.583 -3.690 13 HB2 ARG 3 1HB ARG 3 -0.069 3.977 -4.591 14 HB3 ARG 3 2HB ARG 3 0.370 2.803 -3.357 15 HG2 ARG 3 1HG ARG 3 -1.280 3.657 -1.857 16 HG3 ARG 3 2HG ARG 3 -1.619 5.019 -2.928 17 HD2 ARG 3 1HD ARG 3 -3.150 3.811 -3.987 18 HD3 ARG 3 2HD ARG 3 -1.918 2.628 -4.427 19 HE ARG 3 HE ARG 3 -2.819 2.238 -1.760 20 HH11 ARG 3 1HH1 ARG 3 -3.697 1.725 -5.090 21 HH12 ARG 3 2HH1 ARG 3 -4.702 0.355 -4.750 22 HH21 ARG 3 1HH2 ARG 3 -4.139 0.436 -1.300 23 HH22 ARG 3 2HH2 ARG 3 -4.953 -0.377 -2.593 24 H LYS 4 H LYS 4 0.529 7.199 -2.471 25 HA LYS 4 HA LYS 4 -0.129 6.650 0.349 26 HB2 LYS 4 1HB LYS 4 1.897 8.044 0.029 27 HB3 LYS 4 2HB LYS 4 0.925 9.223 -0.842 28 HG2 LYS 4 1HG LYS 4 0.043 8.468 1.884 29 HG3 LYS 4 2HG LYS 4 1.486 9.473 1.732 30 HD2 LYS 4 1HD LYS 4 -0.086 10.804 0.056 31 HD3 LYS 4 2HD LYS 4 -1.344 10.084 1.062 32 HE2 LYS 4 1HE LYS 4 -0.433 11.084 3.033 33 HE3 LYS 4 2HE LYS 4 0.999 11.627 2.160 34 HZ1 LYS 4 3HZ LYS 4 -0.975 13.247 2.630 35 HZ2 LYS 4 1HZ LYS 4 -1.633 12.537 1.242 36 HZ3 LYS 4 2HZ LYS 4 -0.136 13.319 1.163 37 H ASN 5 H ASN 5 -0.958 8.564 -2.506 38 HA ASN 5 HA ASN 5 -3.724 8.656 -1.593 39 HB2 ASN 5 1HB ASN 5 -2.017 10.885 -1.333 40 HB3 ASN 5 2HB ASN 5 -3.059 11.227 -2.711 41 HD21 ASN 5 2HD2 ASN 5 -2.993 12.494 -0.109 42 HD22 ASN 5 1HD2 ASN 5 -4.570 12.299 0.569 43 H ARG 6 H ARG 6 -1.813 10.249 -4.147 44 HA ARG 6 HA ARG 6 -2.840 8.559 -6.208 45 HB2 ARG 6 1HB ARG 6 -4.018 10.452 -7.418 46 HB3 ARG 6 2HB ARG 6 -4.853 9.792 -6.018 47 HG2 ARG 6 1HG ARG 6 -3.193 11.941 -5.161 48 HG3 ARG 6 2HG ARG 6 -4.156 12.473 -6.540 49 HD2 ARG 6 1HD ARG 6 -5.585 10.908 -4.488 50 HD3 ARG 6 2HD ARG 6 -5.034 12.507 -3.993 51 HE ARG 6 HE ARG 6 -6.246 12.996 -6.352 52 HH11 ARG 6 1HH1 ARG 6 -7.236 11.287 -3.484 53 HH12 ARG 6 2HH1 ARG 6 -8.917 11.653 -3.689 54 HH21 ARG 6 1HH2 ARG 6 -8.457 13.483 -6.633 55 HH22 ARG 6 2HH2 ARG 6 -9.611 12.901 -5.481 56 H ARG 7 H ARG 7 -2.452 9.913 -8.442 57 HA ARG 7 HA ARG 7 -0.871 10.701 -9.874 58 HB2 ARG 7 1HB ARG 7 -0.578 12.383 -7.466 59 HB3 ARG 7 2HB ARG 7 0.810 12.371 -8.546 60 HG2 ARG 7 1HG ARG 7 -0.982 12.815 -10.390 61 HG3 ARG 7 2HG ARG 7 -1.956 13.368 -9.025 62 HD2 ARG 7 1HD ARG 7 -0.182 14.934 -8.399 63 HD3 ARG 7 2HD ARG 7 0.790 14.378 -9.761 64 HE ARG 7 HE ARG 7 -1.449 16.185 -9.847 65 HH11 ARG 7 1HH1 ARG 7 0.518 13.953 -11.654 66 HH12 ARG 7 2HH1 ARG 7 0.146 14.665 -13.189 67 HH21 ARG 7 1HH2 ARG 7 -1.946 17.133 -11.862 68 HH22 ARG 7 2HH2 ARG 7 -1.254 16.475 -13.306 69 H GLU 8 H GLU 8 -0.053 8.476 -9.850 70 HA GLU 8 HA GLU 8 2.541 8.220 -8.485 71 HB2 GLU 8 1HB GLU 8 2.194 5.731 -9.142 72 HB3 GLU 8 2HB GLU 8 1.290 6.393 -7.787 73 HG2 GLU 8 1HG GLU 8 -0.019 4.950 -9.355 74 HG3 GLU 8 2HG GLU 8 -0.692 6.552 -9.062 75 H ARG 9 H ARG 9 4.199 6.946 -9.699 76 HA ARG 9 HA ARG 9 4.647 8.144 -12.239 77 HB2 ARG 9 1HB ARG 9 6.315 7.209 -10.400 78 HB3 ARG 9 2HB ARG 9 6.201 5.750 -11.374 79 HG2 ARG 9 1HG ARG 9 6.757 8.317 -12.758 80 HG3 ARG 9 2HG ARG 9 8.049 7.572 -11.815 81 HD2 ARG 9 1HD ARG 9 8.239 5.794 -13.222 82 HD3 ARG 9 2HD ARG 9 6.530 5.819 -13.657 83 HE ARG 9 HE ARG 9 7.872 8.097 -14.683 84 HH11 ARG 9 1HH1 ARG 9 7.444 4.681 -15.196 85 HH12 ARG 9 2HH1 ARG 9 7.758 4.764 -16.898 86 HH21 ARG 9 1HH2 ARG 9 8.288 8.220 -16.923 87 HH22 ARG 9 2HH2 ARG 9 8.240 6.778 -17.879 88 H THR 10 H THR 10 3.355 5.085 -11.180 89 HA THR 10 HA THR 10 2.174 4.508 -13.666 90 HB THR 10 HB THR 10 4.592 4.011 -14.221 91 HG1 THR 10 HG1 THR 10 3.336 2.964 -15.603 92 HG21 THR 10 3HG2 THR 10 5.671 2.119 -13.330 93 HG22 THR 10 1HG2 THR 10 4.192 1.524 -12.577 94 HG23 THR 10 2HG2 THR 10 4.999 2.953 -11.929 95 H THR 11 H THR 11 1.843 1.840 -13.649 96 HA THR 11 HA THR 11 -0.075 1.342 -11.756 97 HB THR 11 HB THR 11 1.582 -0.971 -12.667 98 HG1 THR 11 HG1 THR 11 1.474 -0.250 -14.654 99 HG21 THR 11 3HG2 THR 11 -1.398 -0.539 -12.775 100 HG22 THR 11 1HG2 THR 11 -0.570 -1.166 -11.351 101 HG23 THR 11 2HG2 THR 11 -0.519 -2.064 -12.868 102 H TYR 12 H TYR 12 3.265 0.087 -11.653 103 HA TYR 12 HA TYR 12 3.396 0.464 -8.804 104 HB2 TYR 12 1HB TYR 12 4.015 -2.062 -8.539 105 HB3 TYR 12 2HB TYR 12 2.324 -1.575 -8.529 106 HD1 TYR 12 HD1 TYR 12 4.961 -3.251 -10.452 107 HD2 TYR 12 HD2 TYR 12 0.849 -2.161 -10.354 108 HE1 TYR 12 HE1 TYR 12 4.511 -4.804 -12.306 109 HE2 TYR 12 HE2 TYR 12 0.388 -3.711 -12.206 110 HH TYR 12 HH TYR 12 2.512 -4.851 -14.222 111 H SER 13 H SER 13 5.318 1.433 -8.743 112 HA SER 13 HA SER 13 7.619 0.008 -9.872 113 HB2 SER 13 1HB SER 13 8.572 2.181 -10.641 114 HB3 SER 13 2HB SER 13 7.104 1.727 -11.505 115 HG SER 13 HG SER 13 7.591 3.898 -9.950 116 H ARG 14 H ARG 14 9.704 0.820 -8.981 117 HA ARG 14 HA ARG 14 9.466 1.108 -6.124 118 HB2 ARG 14 1HB ARG 14 11.961 0.992 -6.178 119 HB3 ARG 14 2HB ARG 14 11.165 -0.373 -6.948 120 HG2 ARG 14 1HG ARG 14 11.768 1.803 -8.792 121 HG3 ARG 14 2HG ARG 14 13.196 1.108 -8.022 122 HD2 ARG 14 1HD ARG 14 11.164 -0.778 -9.065 123 HD3 ARG 14 2HD ARG 14 12.120 0.109 -10.251 124 HE ARG 14 HE ARG 14 13.015 -2.019 -8.559 125 HH11 ARG 14 1HH1 ARG 14 14.006 0.846 -10.271 126 HH12 ARG 14 2HH1 ARG 14 15.657 0.343 -10.421 127 HH21 ARG 14 1HH2 ARG 14 15.186 -2.692 -8.750 128 HH22 ARG 14 2HH2 ARG 14 16.327 -1.670 -9.556 129 H GLN 15 H GLN 15 9.864 3.201 -8.795 130 HA GLN 15 HA GLN 15 11.400 5.275 -7.858 131 HB2 GLN 15 1HB GLN 15 8.844 5.472 -9.460 132 HB3 GLN 15 2HB GLN 15 10.034 6.756 -9.293 133 HG2 GLN 15 1HG GLN 15 10.693 4.059 -10.438 134 HG3 GLN 15 2HG GLN 15 10.133 5.414 -11.418 135 HE21 GLN 15 2HE2 GLN 15 12.282 4.902 -12.420 136 HE22 GLN 15 1HE2 GLN 15 13.658 5.738 -11.794 137 H GLN 16 H GLN 16 7.903 4.834 -7.355 138 HA GLN 16 HA GLN 16 7.427 7.105 -5.833 139 HB2 GLN 16 1HB GLN 16 6.123 4.384 -5.679 140 HB3 GLN 16 2HB GLN 16 5.501 5.821 -4.879 141 HG2 GLN 16 1HG GLN 16 4.787 6.770 -6.823 142 HG3 GLN 16 2HG GLN 16 6.013 5.961 -7.798 143 HE21 GLN 16 2HE2 GLN 16 5.689 3.775 -8.381 144 HE22 GLN 16 1HE2 GLN 16 4.103 3.091 -8.417 145 H LEU 17 H LEU 17 8.865 4.055 -4.927 146 HA LEU 17 HA LEU 17 8.827 4.729 -2.097 147 HB2 LEU 17 1HB LEU 17 10.096 2.365 -3.467 148 HB3 LEU 17 2HB LEU 17 9.800 2.553 -1.740 149 HG LEU 17 HG LEU 17 7.450 2.642 -3.556 150 HD11 LEU 17 1HD1 LEU 17 8.216 -0.059 -2.706 151 HD12 LEU 17 2HD1 LEU 17 9.223 0.633 -3.978 152 HD13 LEU 17 3HD1 LEU 17 7.480 0.498 -4.210 153 HD21 LEU 17 3HD2 LEU 17 7.328 2.952 -1.085 154 HD22 LEU 17 1HD2 LEU 17 7.899 1.293 -0.898 155 HD23 LEU 17 2HD2 LEU 17 6.357 1.610 -1.693 156 H GLU 18 H GLU 18 10.792 5.288 -4.770 157 HA GLU 18 HA GLU 18 13.350 5.169 -3.519 158 HB2 GLU 18 1HB GLU 18 12.346 6.495 -6.032 159 HB3 GLU 18 2HB GLU 18 14.018 6.629 -5.505 160 HG2 GLU 18 1HG GLU 18 12.854 3.912 -5.703 161 HG3 GLU 18 2HG GLU 18 13.211 4.767 -7.202 162 H ILE 19 H ILE 19 10.997 7.743 -4.091 163 HA ILE 19 HA ILE 19 12.363 9.995 -3.428 164 HB ILE 19 HB ILE 19 9.607 9.374 -2.365 165 HG12 ILE 19 1HG1 ILE 19 9.464 10.903 -4.734 166 HG13 ILE 19 2HG1 ILE 19 10.562 9.570 -5.074 167 HG21 ILE 19 1HG2 ILE 19 10.400 12.071 -3.293 168 HG22 ILE 19 2HG2 ILE 19 9.332 11.592 -1.975 169 HG23 ILE 19 3HG2 ILE 19 11.081 11.513 -1.765 170 HD11 ILE 19 3HD1 ILE 19 8.933 8.003 -4.893 171 HD12 ILE 19 1HD1 ILE 19 8.009 8.934 -3.714 172 HD13 ILE 19 2HD1 ILE 19 7.954 9.371 -5.423 173 H LEU 20 H LEU 20 11.147 7.546 -1.200 174 HA LEU 20 HA LEU 20 12.217 9.020 1.083 175 HB2 LEU 20 1HB LEU 20 11.041 6.344 1.472 176 HB3 LEU 20 2HB LEU 20 10.821 7.826 2.400 177 HG LEU 20 HG LEU 20 8.712 7.319 1.494 178 HD11 LEU 20 1HD1 LEU 20 9.737 9.686 1.116 179 HD12 LEU 20 2HD1 LEU 20 8.193 9.261 0.378 180 HD13 LEU 20 3HD1 LEU 20 9.669 9.230 -0.586 181 HD21 LEU 20 3HD2 LEU 20 9.298 7.295 -1.337 182 HD22 LEU 20 1HD2 LEU 20 8.387 6.140 -0.364 183 HD23 LEU 20 2HD2 LEU 20 10.141 5.999 -0.487 184 H GLU 21 H GLU 21 12.350 5.635 -0.049 185 HA GLU 21 HA GLU 21 14.388 4.682 1.471 186 HB2 GLU 21 1HB GLU 21 13.025 3.744 -0.693 187 HB3 GLU 21 2HB GLU 21 14.636 3.935 -1.370 188 HG2 GLU 21 1HG GLU 21 13.992 2.374 1.120 189 HG3 GLU 21 2HG GLU 21 14.212 1.678 -0.484 190 H THR 22 H THR 22 14.629 6.944 -1.163 191 HA THR 22 HA THR 22 17.539 6.789 -1.207 192 HB THR 22 HB THR 22 15.736 8.628 -2.790 193 HG1 THR 22 HG1 THR 22 16.621 5.986 -3.228 194 HG21 THR 22 3HG2 THR 22 18.554 7.759 -3.404 195 HG22 THR 22 1HG2 THR 22 18.178 9.237 -2.520 196 HG23 THR 22 2HG2 THR 22 17.617 9.035 -4.180 197 H LEU 23 H LEU 23 15.051 9.289 -0.679 198 HA LEU 23 HA LEU 23 16.925 11.206 0.297 199 HB2 LEU 23 1HB LEU 23 14.697 11.692 -0.778 200 HB3 LEU 23 2HB LEU 23 13.947 11.191 0.737 201 HG LEU 23 HG LEU 23 15.942 13.438 0.591 202 HD11 LEU 23 1HD1 LEU 23 13.061 13.400 -0.105 203 HD12 LEU 23 2HD1 LEU 23 14.367 14.410 -0.725 204 HD13 LEU 23 3HD1 LEU 23 13.656 14.758 0.850 205 HD21 LEU 23 3HD2 LEU 23 14.183 13.927 2.622 206 HD22 LEU 23 1HD2 LEU 23 15.761 13.162 2.805 207 HD23 LEU 23 2HD2 LEU 23 14.312 12.168 2.661 208 H PHE 24 H PHE 24 14.196 9.641 1.985 209 HA PHE 24 HA PHE 24 14.765 10.326 4.552 210 HB2 PHE 24 1HB PHE 24 12.779 9.068 4.040 211 HB3 PHE 24 2HB PHE 24 13.730 7.682 3.519 212 HD1 PHE 24 HD2 PHE 24 14.838 6.249 5.148 213 HD2 PHE 24 HD1 PHE 24 12.402 9.521 6.364 214 HE1 PHE 24 HE2 PHE 24 14.741 5.325 7.426 215 HE2 PHE 24 HE1 PHE 24 12.303 8.603 8.645 216 HZ PHE 24 HZ PHE 24 13.472 6.502 9.178 217 H ASN 25 H ASN 25 16.308 7.786 2.661 218 HA ASN 25 HA ASN 25 17.880 6.809 4.855 219 HB2 ASN 25 1HB ASN 25 17.188 5.427 2.868 220 HB3 ASN 25 2HB ASN 25 18.337 6.348 1.902 221 HD21 ASN 25 2HD2 ASN 25 19.758 4.771 1.427 222 HD22 ASN 25 1HD2 ASN 25 20.691 3.914 2.603 223 H GLU 26 H GLU 26 18.461 8.892 2.049 224 HA GLU 26 HA GLU 26 21.193 9.246 2.267 225 HB2 GLU 26 1HB GLU 26 19.921 10.126 0.393 226 HB3 GLU 26 2HB GLU 26 19.091 11.258 1.451 227 HG2 GLU 26 1HG GLU 26 20.991 12.154 0.018 228 HG3 GLU 26 2HG GLU 26 20.987 12.580 1.729 229 H THR 27 H THR 27 18.608 11.059 3.891 230 HA THR 27 HA THR 27 20.059 11.465 6.255 231 HB THR 27 HB THR 27 19.968 14.161 5.630 232 HG1 THR 27 HG1 THR 27 21.076 14.330 3.656 233 HG21 THR 27 3HG2 THR 27 22.172 14.123 6.215 234 HG22 THR 27 1HG2 THR 27 22.531 12.724 5.204 235 HG23 THR 27 2HG2 THR 27 21.729 12.506 6.759 236 H GLN 28 H GLN 28 19.029 13.392 7.553 237 HA GLN 28 HA GLN 28 16.127 13.202 7.130 238 HB2 GLN 28 1HB GLN 28 17.710 13.777 9.640 239 HB3 GLN 28 2HB GLN 28 15.954 13.789 9.545 240 HG2 GLN 28 1HG GLN 28 15.820 11.496 9.276 241 HG3 GLN 28 2HG GLN 28 17.489 11.363 8.724 242 HE21 GLN 28 2HE2 GLN 28 17.821 9.704 10.252 243 HE22 GLN 28 1HE2 GLN 28 18.057 10.064 11.925 244 H TYR 29 H TYR 29 17.513 15.049 5.588 245 HA TYR 29 HA TYR 29 16.843 17.620 6.859 246 HB2 TYR 29 1HB TYR 29 18.712 17.090 4.540 247 HB3 TYR 29 2HB TYR 29 18.392 18.660 5.267 248 HD1 TYR 29 HD1 TYR 29 18.522 18.171 8.110 249 HD2 TYR 29 HD2 TYR 29 20.909 16.525 4.995 250 HE1 TYR 29 HE1 TYR 29 20.352 17.806 9.712 251 HE2 TYR 29 HE2 TYR 29 22.744 16.154 6.589 252 HH TYR 29 HH TYR 29 22.566 17.326 9.902 253 HA PRO 30 HA PRO 30 13.617 16.970 3.619 254 HB2 PRO 30 1HB PRO 30 11.611 18.050 5.096 255 HB3 PRO 30 2HB PRO 30 12.089 16.353 5.221 256 HG2 PRO 30 1HG PRO 30 12.812 18.661 6.986 257 HG3 PRO 30 2HG PRO 30 12.343 17.011 7.437 258 HD2 PRO 30 1HD PRO 30 14.922 17.836 7.407 259 HD3 PRO 30 2HD PRO 30 14.449 16.167 7.030 260 H ASP 31 H ASP 31 15.036 18.680 2.625 261 HA ASP 31 HA ASP 31 13.718 21.308 2.828 262 HB2 ASP 31 1HB ASP 31 16.219 20.980 3.648 263 HB3 ASP 31 2HB ASP 31 16.558 21.126 1.926 264 H VAL 32 H VAL 32 14.225 22.662 0.790 265 HA VAL 32 HA VAL 32 13.003 21.511 -1.406 266 HB VAL 32 HB VAL 32 14.195 23.396 -2.721 267 HG11 VAL 32 1HG1 VAL 32 11.968 23.775 -2.214 268 HG12 VAL 32 2HG1 VAL 32 12.250 23.727 -0.472 269 HG13 VAL 32 3HG1 VAL 32 12.771 25.125 -1.413 270 HG21 VAL 32 3HG2 VAL 32 15.642 24.759 -1.687 271 HG22 VAL 32 1HG2 VAL 32 14.681 24.805 -0.209 272 HG23 VAL 32 2HG2 VAL 32 15.793 23.467 -0.497 273 H PHE 33 H PHE 33 16.438 21.725 -0.630 274 HA PHE 33 HA PHE 33 17.490 20.866 -3.068 275 HB2 PHE 33 1HB PHE 33 18.491 21.467 -0.520 276 HB3 PHE 33 2HB PHE 33 18.997 19.811 -0.834 277 HD1 PHE 33 HD2 PHE 33 18.664 22.855 -2.969 278 HD2 PHE 33 HD1 PHE 33 21.180 19.743 -1.520 279 HE1 PHE 33 HE2 PHE 33 20.502 23.689 -4.377 280 HE2 PHE 33 HE1 PHE 33 23.022 20.572 -2.925 281 HZ PHE 33 HZ PHE 33 22.684 22.547 -4.357 282 H ALA 34 H ALA 34 15.813 19.127 -0.610 283 HA ALA 34 HA ALA 34 16.733 16.528 -1.518 284 HB1 ALA 34 1HB ALA 34 15.951 17.373 0.905 285 HB2 ALA 34 2HB ALA 34 14.427 16.705 0.317 286 HB3 ALA 34 3HB ALA 34 15.866 15.687 0.391 287 H ARG 35 H ARG 35 13.484 17.949 -1.094 288 HA ARG 35 HA ARG 35 12.096 16.125 -2.645 289 HB2 ARG 35 1HB ARG 35 10.404 17.968 -2.933 290 HB3 ARG 35 2HB ARG 35 10.874 17.639 -1.270 291 HG2 ARG 35 1HG ARG 35 12.382 19.564 -1.318 292 HG3 ARG 35 2HG ARG 35 11.896 19.896 -2.982 293 HD2 ARG 35 1HD ARG 35 10.068 20.969 -2.305 294 HD3 ARG 35 2HD ARG 35 9.591 19.619 -1.276 295 HE ARG 35 HE ARG 35 11.500 20.786 0.195 296 HH11 ARG 35 1HH1 ARG 35 8.741 22.092 -1.479 297 HH12 ARG 35 2HH1 ARG 35 8.521 23.401 -0.365 298 HH21 ARG 35 1HH2 ARG 35 11.221 22.505 1.668 299 HH22 ARG 35 2HH2 ARG 35 9.933 23.636 1.424 300 H GLU 36 H GLU 36 13.658 19.149 -3.634 301 HA GLU 36 HA GLU 36 12.816 19.080 -6.326 302 HB2 GLU 36 1HB GLU 36 13.703 21.102 -5.223 303 HB3 GLU 36 2HB GLU 36 15.293 20.355 -5.151 304 HG2 GLU 36 1HG GLU 36 15.672 20.611 -7.391 305 HG3 GLU 36 2HG GLU 36 13.956 20.608 -7.794 306 H ARG 37 H ARG 37 15.283 17.385 -4.611 307 HA ARG 37 HA ARG 37 16.826 16.693 -6.943 308 HB2 ARG 37 1HB ARG 37 17.889 16.866 -4.738 309 HB3 ARG 37 2HB ARG 37 16.879 15.556 -4.142 310 HG2 ARG 37 1HG ARG 37 17.952 14.232 -6.129 311 HG3 ARG 37 2HG ARG 37 19.206 15.466 -5.994 312 HD2 ARG 37 1HD ARG 37 18.253 14.028 -3.553 313 HD3 ARG 37 2HD ARG 37 19.406 13.251 -4.637 314 HE ARG 37 HE ARG 37 19.918 15.426 -2.834 315 HH11 ARG 37 1HH1 ARG 37 20.932 13.847 -5.766 316 HH12 ARG 37 2HH1 ARG 37 22.562 14.427 -5.669 317 HH21 ARG 37 1HH2 ARG 37 22.061 16.196 -2.695 318 HH22 ARG 37 2HH2 ARG 37 23.203 15.762 -3.922 319 H VAL 38 H VAL 38 15.002 14.694 -4.613 320 HA VAL 38 HA VAL 38 14.956 12.356 -6.094 321 HB VAL 38 HB VAL 38 12.774 11.880 -4.836 322 HG11 VAL 38 1HG1 VAL 38 14.834 11.007 -4.023 323 HG12 VAL 38 2HG1 VAL 38 15.328 12.585 -3.404 324 HG13 VAL 38 3HG1 VAL 38 13.990 11.719 -2.648 325 HG21 VAL 38 3HG2 VAL 38 13.387 14.107 -3.013 326 HG22 VAL 38 1HG2 VAL 38 12.645 14.563 -4.547 327 HG23 VAL 38 2HG2 VAL 38 11.833 13.416 -3.481 328 H ALA 39 H ALA 39 13.120 15.260 -6.517 329 HA ALA 39 HA ALA 39 10.902 14.329 -7.915 330 HB1 ALA 39 1HB ALA 39 11.492 16.724 -9.140 331 HB2 ALA 39 2HB ALA 39 10.537 16.516 -7.671 332 HB3 ALA 39 3HB ALA 39 12.260 16.875 -7.559 333 H ASP 40 H ASP 40 14.213 14.725 -8.935 334 HA ASP 40 HA ASP 40 13.586 14.371 -11.741 335 HB2 ASP 40 1HB ASP 40 15.528 15.765 -10.723 336 HB3 ASP 40 2HB ASP 40 16.352 14.214 -10.580 337 H GLN 41 H GLN 41 14.156 12.388 -9.047 338 HA GLN 41 HA GLN 41 15.307 10.168 -10.464 339 HB2 GLN 41 1HB GLN 41 14.070 10.354 -7.712 340 HB3 GLN 41 2HB GLN 41 14.886 8.930 -8.345 341 HG2 GLN 41 1HG GLN 41 16.255 11.591 -8.174 342 HG3 GLN 41 2HG GLN 41 16.207 10.473 -6.812 343 HE21 GLN 41 2HE2 GLN 41 17.995 9.351 -6.634 344 HE22 GLN 41 1HE2 GLN 41 18.966 8.755 -7.933 345 H ILE 42 H ILE 42 12.126 10.805 -8.991 346 HA ILE 42 HA ILE 42 11.003 8.500 -10.370 347 HB ILE 42 HB ILE 42 9.089 8.736 -9.035 348 HG12 ILE 42 1HG1 ILE 42 10.011 11.510 -8.256 349 HG13 ILE 42 2HG1 ILE 42 8.790 11.175 -9.479 350 HG21 ILE 42 1HG2 ILE 42 11.292 9.742 -7.247 351 HG22 ILE 42 2HG2 ILE 42 9.914 8.736 -6.802 352 HG23 ILE 42 3HG2 ILE 42 11.188 8.081 -7.832 353 HD11 ILE 42 3HD1 ILE 42 8.633 10.960 -6.526 354 HD12 ILE 42 1HD1 ILE 42 7.463 11.595 -7.682 355 HD13 ILE 42 2HD1 ILE 42 7.667 9.853 -7.501 356 H ARG 43 H ARG 43 11.578 11.672 -11.108 357 HA ARG 43 HA ARG 43 10.917 13.012 -12.826 358 HB2 ARG 43 1HB ARG 43 10.798 10.732 -14.003 359 HB3 ARG 43 2HB ARG 43 9.061 10.826 -13.744 360 HG2 ARG 43 1HG ARG 43 9.609 11.584 -15.965 361 HG3 ARG 43 2HG ARG 43 9.007 12.935 -15.003 362 HD2 ARG 43 1HD ARG 43 11.233 13.763 -14.665 363 HD3 ARG 43 2HD ARG 43 11.929 12.332 -15.425 364 HE ARG 43 HE ARG 43 10.243 13.525 -17.286 365 HH11 ARG 43 1HH1 ARG 43 13.179 14.273 -15.571 366 HH12 ARG 43 2HH1 ARG 43 13.803 15.297 -16.822 367 HH21 ARG 43 1HH2 ARG 43 11.054 14.870 -18.940 368 HH22 ARG 43 2HH2 ARG 43 12.594 15.636 -18.738 369 H LEU 44 H LEU 44 9.804 13.743 -10.609 370 HA LEU 44 HA LEU 44 7.040 14.382 -11.344 371 HB2 LEU 44 1HB LEU 44 7.109 12.494 -9.691 372 HB3 LEU 44 2HB LEU 44 7.852 13.611 -8.548 373 HG LEU 44 HG LEU 44 5.844 14.978 -8.541 374 HD11 LEU 44 1HD1 LEU 44 3.832 13.628 -9.710 375 HD12 LEU 44 2HD1 LEU 44 5.145 13.256 -10.826 376 HD13 LEU 44 3HD1 LEU 44 4.720 14.935 -10.492 377 HD21 LEU 44 3HD2 LEU 44 4.387 13.472 -7.372 378 HD22 LEU 44 1HD2 LEU 44 6.056 13.034 -7.006 379 HD23 LEU 44 2HD2 LEU 44 5.126 12.075 -8.157 380 H GLN 45 H GLN 45 6.176 16.219 -10.020 381 HA GLN 45 HA GLN 45 7.862 18.436 -10.188 382 HB2 GLN 45 1HB GLN 45 5.150 17.888 -9.281 383 HB3 GLN 45 2HB GLN 45 5.921 19.158 -8.339 384 HG2 GLN 45 1HG GLN 45 5.740 19.132 -11.343 385 HG3 GLN 45 2HG GLN 45 4.630 19.990 -10.275 386 HE21 GLN 45 2HE2 GLN 45 6.254 21.147 -12.300 387 HE22 GLN 45 1HE2 GLN 45 7.348 22.239 -11.528 388 H GLU 46 H GLU 46 8.887 19.711 -8.624 389 HA GLU 46 HA GLU 46 10.178 18.277 -6.553 390 HB2 GLU 46 1HB GLU 46 11.110 20.491 -5.913 391 HB3 GLU 46 2HB GLU 46 11.307 20.118 -7.619 392 HG2 GLU 46 1HG GLU 46 8.973 21.451 -7.698 393 HG3 GLU 46 2HG GLU 46 9.732 22.228 -6.310 394 H SER 47 H SER 47 7.592 20.699 -6.547 395 HA SER 47 HA SER 47 7.323 20.632 -3.681 396 HB2 SER 47 1HB SER 47 5.840 21.994 -5.912 397 HB3 SER 47 2HB SER 47 5.171 21.969 -4.280 398 HG SER 47 HG SER 47 6.387 23.720 -4.172 399 H ARG 48 H ARG 48 6.066 18.865 -6.341 400 HA ARG 48 HA ARG 48 3.690 17.946 -4.993 401 HB2 ARG 48 1HB ARG 48 3.743 18.154 -7.438 402 HB3 ARG 48 2HB ARG 48 5.027 16.955 -7.517 403 HG2 ARG 48 1HG ARG 48 2.893 15.971 -8.099 404 HG3 ARG 48 2HG ARG 48 3.511 15.271 -6.602 405 HD2 ARG 48 1HD ARG 48 1.133 15.724 -6.408 406 HD3 ARG 48 2HD ARG 48 2.049 16.759 -5.314 407 HE ARG 48 HE ARG 48 1.685 18.179 -7.672 408 HH11 ARG 48 1HH1 ARG 48 -0.270 16.823 -5.131 409 HH12 ARG 48 2HH1 ARG 48 -1.527 18.005 -5.289 410 HH21 ARG 48 1HH2 ARG 48 0.038 19.741 -7.890 411 HH22 ARG 48 2HH2 ARG 48 -1.351 19.664 -6.860 412 H ILE 49 H ILE 49 6.849 16.571 -5.845 413 HA ILE 49 HA ILE 49 6.492 13.985 -4.931 414 HB ILE 49 HB ILE 49 8.579 15.253 -6.017 415 HG12 ILE 49 1HG1 ILE 49 8.838 12.799 -4.266 416 HG13 ILE 49 2HG1 ILE 49 8.185 12.807 -5.901 417 HG21 ILE 49 1HG2 ILE 49 9.569 14.810 -3.220 418 HG22 ILE 49 2HG2 ILE 49 10.356 15.657 -4.550 419 HG23 ILE 49 3HG2 ILE 49 8.959 16.377 -3.752 420 HD11 ILE 49 3HD1 ILE 49 10.774 12.305 -5.237 421 HD12 ILE 49 1HD1 ILE 49 10.212 12.822 -6.826 422 HD13 ILE 49 2HD1 ILE 49 10.834 14.010 -5.681 423 H GLN 50 H GLN 50 6.776 16.913 -3.128 424 HA GLN 50 HA GLN 50 7.732 15.982 -0.683 425 HB2 GLN 50 1HB GLN 50 6.674 18.378 -1.675 426 HB3 GLN 50 2HB GLN 50 5.639 17.946 -0.321 427 HG2 GLN 50 1HG GLN 50 7.598 17.779 1.127 428 HG3 GLN 50 2HG GLN 50 8.635 18.213 -0.231 429 HE21 GLN 50 2HE2 GLN 50 8.014 19.504 2.408 430 HE22 GLN 50 1HE2 GLN 50 7.592 21.130 2.005 431 H VAL 51 H VAL 51 4.435 16.030 -1.969 432 HA VAL 51 HA VAL 51 3.156 15.085 0.365 433 HB VAL 51 HB VAL 51 1.226 14.749 -0.949 434 HG11 VAL 51 1HG1 VAL 51 2.311 16.833 -2.711 435 HG12 VAL 51 2HG1 VAL 51 0.923 16.874 -1.622 436 HG13 VAL 51 3HG1 VAL 51 2.552 17.115 -0.988 437 HG21 VAL 51 3HG2 VAL 51 3.175 14.198 -3.112 438 HG22 VAL 51 1HG2 VAL 51 1.662 13.384 -2.712 439 HG23 VAL 51 2HG2 VAL 51 1.635 14.920 -3.578 440 H TRP 52 H TRP 52 4.801 13.475 -2.265 441 HA TRP 52 HA TRP 52 3.863 10.850 -1.486 442 HB2 TRP 52 1HB TRP 52 5.595 11.944 -3.656 443 HB3 TRP 52 2HB TRP 52 5.778 10.246 -3.224 444 HD1 TRP 52 HD1 TRP 52 3.126 12.698 -4.575 445 HE1 TRP 52 HE1 TRP 52 1.357 11.341 -5.860 446 HE3 TRP 52 HE3 TRP 52 4.788 7.982 -3.510 447 HZ2 TRP 52 HZ2 TRP 52 0.746 8.630 -6.357 448 HZ3 TRP 52 HZ3 TRP 52 3.555 6.061 -4.429 449 HH2 TRP 52 HH2 TRP 52 1.575 6.381 -5.822 450 H PHE 53 H PHE 53 6.429 12.953 -0.667 451 HA PHE 53 HA PHE 53 8.475 11.173 -0.017 452 HB2 PHE 53 1HB PHE 53 8.847 13.572 -0.049 453 HB3 PHE 53 2HB PHE 53 7.721 13.796 1.285 454 HD1 PHE 53 HD2 PHE 53 10.632 11.545 0.650 455 HD2 PHE 53 HD1 PHE 53 8.782 14.386 3.223 456 HE1 PHE 53 HE2 PHE 53 12.487 11.301 2.248 457 HE2 PHE 53 HE1 PHE 53 10.634 14.147 4.825 458 HZ PHE 53 HZ PHE 53 12.489 12.602 4.339 459 H LYS 54 H LYS 54 5.428 11.654 1.451 460 HA LYS 54 HA LYS 54 6.219 10.546 4.017 461 HB2 LYS 54 1HB LYS 54 4.246 12.292 3.281 462 HB3 LYS 54 2HB LYS 54 3.347 10.787 3.425 463 HG2 LYS 54 1HG LYS 54 4.832 10.746 5.702 464 HG3 LYS 54 2HG LYS 54 4.543 12.475 5.495 465 HD2 LYS 54 1HD LYS 54 2.225 12.221 5.609 466 HD3 LYS 54 2HD LYS 54 2.303 10.493 5.256 467 HE2 LYS 54 1HE LYS 54 2.468 9.987 7.417 468 HE3 LYS 54 2HE LYS 54 3.787 11.133 7.647 469 HZ1 LYS 54 3HZ LYS 54 2.416 12.557 8.623 470 HZ2 LYS 54 1HZ LYS 54 1.229 11.352 8.622 471 HZ3 LYS 54 2HZ LYS 54 1.296 12.473 7.358 472 H ASN 55 H ASN 55 5.151 9.421 0.991 473 HA ASN 55 HA ASN 55 3.546 7.292 1.370 474 HB2 ASN 55 1HB ASN 55 4.310 7.668 -0.829 475 HB3 ASN 55 2HB ASN 55 6.002 7.545 -0.355 476 HD21 ASN 55 2HD2 ASN 55 6.603 5.940 -1.708 477 HD22 ASN 55 1HD2 ASN 55 5.978 4.330 -1.638 478 H ARG 56 H ARG 56 7.075 6.788 1.373 479 HA ARG 56 HA ARG 56 6.741 4.417 3.008 480 HB2 ARG 56 1HB ARG 56 8.396 4.827 1.001 481 HB3 ARG 56 2HB ARG 56 9.417 5.519 2.255 482 HG2 ARG 56 1HG ARG 56 8.438 3.032 3.201 483 HG3 ARG 56 2HG ARG 56 9.057 2.797 1.566 484 HD2 ARG 56 1HD ARG 56 10.899 2.447 2.986 485 HD3 ARG 56 2HD ARG 56 11.120 4.066 2.325 486 HE ARG 56 HE ARG 56 9.806 4.509 4.652 487 HH11 ARG 56 1HH1 ARG 56 12.693 2.753 3.815 488 HH12 ARG 56 2HH1 ARG 56 13.461 3.029 5.344 489 HH21 ARG 56 1HH2 ARG 56 10.806 4.878 6.669 490 HH22 ARG 56 2HH2 ARG 56 12.386 4.237 6.967 491 H ARG 57 H ARG 57 8.199 7.626 3.275 492 HA ARG 57 HA ARG 57 9.540 7.432 5.658 493 HB2 ARG 57 1HB ARG 57 9.628 9.468 4.400 494 HB3 ARG 57 2HB ARG 57 7.895 9.713 4.565 495 HG2 ARG 57 1HG ARG 57 9.449 9.546 7.071 496 HG3 ARG 57 2HG ARG 57 9.700 10.976 6.068 497 HD2 ARG 57 1HD ARG 57 7.074 10.989 5.997 498 HD3 ARG 57 2HD ARG 57 7.243 10.043 7.475 499 HE ARG 57 HE ARG 57 7.690 12.842 7.174 500 HH11 ARG 57 1HH1 ARG 57 8.716 10.016 8.928 501 HH12 ARG 57 2HH1 ARG 57 9.251 10.910 10.313 502 HH21 ARG 57 1HH2 ARG 57 8.391 14.030 8.991 503 HH22 ARG 57 2HH2 ARG 57 9.065 13.193 10.347 504 H ALA 58 H ALA 58 6.092 7.532 5.124 505 HA ALA 58 HA ALA 58 5.510 7.836 7.955 506 HB1 ALA 58 1HB ALA 58 3.168 7.807 7.274 507 HB2 ALA 58 2HB ALA 58 4.091 8.972 6.325 508 HB3 ALA 58 3HB ALA 58 3.647 7.418 5.621 509 H LYS 59 H LYS 59 5.467 5.348 5.472 510 HA LYS 59 HA LYS 59 4.054 3.364 6.840 511 HB2 LYS 59 1HB LYS 59 5.741 3.536 4.493 512 HB3 LYS 59 2HB LYS 59 6.029 2.035 5.363 513 HG2 LYS 59 1HG LYS 59 4.308 1.839 3.607 514 HG3 LYS 59 2HG LYS 59 3.708 1.440 5.218 515 HD2 LYS 59 1HD LYS 59 2.301 3.210 5.275 516 HD3 LYS 59 2HD LYS 59 3.419 4.260 4.402 517 HE2 LYS 59 1HE LYS 59 2.337 2.056 2.804 518 HE3 LYS 59 2HE LYS 59 1.122 3.200 3.373 519 HZ1 LYS 59 3HZ LYS 59 3.080 3.517 1.327 520 HZ2 LYS 59 1HZ LYS 59 3.190 4.756 2.475 521 HZ3 LYS 59 2HZ LYS 59 1.727 4.471 1.675 522 H TYR 60 H TYR 60 7.193 4.633 7.382 523 HA TYR 60 HA TYR 60 8.582 2.524 8.491 524 HB2 TYR 60 1HB TYR 60 10.047 4.091 9.274 525 HB3 TYR 60 2HB TYR 60 9.131 5.123 8.182 526 HD1 TYR 60 HD1 TYR 60 7.035 6.300 9.267 527 HD2 TYR 60 HD2 TYR 60 10.350 4.780 11.460 528 HE1 TYR 60 HE1 TYR 60 6.470 7.788 11.143 529 HE2 TYR 60 HE2 TYR 60 9.792 6.262 13.342 530 HH TYR 60 HH TYR 60 7.976 7.501 14.235 531 H ARG 61 H ARG 61 5.855 4.250 9.757 532 HA ARG 61 HA ARG 61 6.185 3.318 12.462 533 HB2 ARG 61 1HB ARG 61 4.146 4.448 12.940 534 HB3 ARG 61 2HB ARG 61 5.033 5.466 11.814 535 HG2 ARG 61 1HG ARG 61 3.607 4.192 10.022 536 HG3 ARG 61 2HG ARG 61 2.540 3.898 11.396 537 HD2 ARG 61 1HD ARG 61 2.809 6.457 11.799 538 HD3 ARG 61 2HD ARG 61 3.311 6.484 10.109 539 HE ARG 61 HE ARG 61 1.133 6.153 9.500 540 HH11 ARG 61 1HH1 ARG 61 1.506 5.323 12.860 541 HH12 ARG 61 2HH1 ARG 61 -0.191 5.101 13.129 542 HH21 ARG 61 1HH2 ARG 61 -1.103 5.863 9.841 543 HH22 ARG 61 2HH2 ARG 61 -1.674 5.407 11.410 544 H LEU 62 H LEU 62 4.384 2.350 9.610 545 HA LEU 62 HA LEU 62 2.644 0.509 10.828 546 HB2 LEU 62 1HB LEU 62 2.523 1.427 8.482 547 HB3 LEU 62 2HB LEU 62 3.792 0.281 8.056 548 HG LEU 62 HG LEU 62 1.294 -0.755 9.310 549 HD11 LEU 62 1HD1 LEU 62 0.318 -0.957 7.019 550 HD12 LEU 62 2HD1 LEU 62 1.552 0.170 6.456 551 HD13 LEU 62 3HD1 LEU 62 0.367 0.688 7.655 552 HD21 LEU 62 3HD2 LEU 62 2.056 -2.348 7.198 553 HD22 LEU 62 1HD2 LEU 62 2.468 -2.606 8.894 554 HD23 LEU 62 2HD2 LEU 62 3.593 -1.758 7.833 555 H GLN 63 H GLN 63 5.796 0.012 9.249 556 HA GLN 63 HA GLN 63 5.986 -2.738 9.627 557 HB2 GLN 63 1HB GLN 63 8.444 -2.401 9.441 558 HB3 GLN 63 2HB GLN 63 7.528 -1.589 8.178 559 HG2 GLN 63 1HG GLN 63 7.756 0.528 9.358 560 HG3 GLN 63 2HG GLN 63 8.650 -0.279 10.645 561 HE21 GLN 63 2HE2 GLN 63 8.826 -0.570 7.120 562 HE22 GLN 63 1HE2 GLN 63 10.499 -0.156 6.995 563 H GLU 64 H GLU 64 6.315 -0.149 11.886 564 HA GLU 64 HA GLU 64 7.866 -1.492 13.843 565 HB2 GLU 64 1HB GLU 64 7.278 1.035 13.606 566 HB3 GLU 64 2HB GLU 64 5.843 0.614 14.529 567 HG2 GLU 64 1HG GLU 64 7.400 -0.378 16.253 568 HG3 GLU 64 2HG GLU 64 8.714 0.403 15.375 569 H LYS 65 H LYS 65 4.380 -1.136 13.344 570 HA LYS 65 HA LYS 65 3.658 -2.580 15.700 571 HB2 LYS 65 1HB LYS 65 2.104 -0.985 14.777 572 HB3 LYS 65 2HB LYS 65 2.086 -1.827 13.233 573 HG2 LYS 65 1HG LYS 65 1.345 -3.708 15.195 574 HG3 LYS 65 2HG LYS 65 0.436 -2.230 15.522 575 HD2 LYS 65 1HD LYS 65 0.098 -2.323 12.885 576 HD3 LYS 65 2HD LYS 65 0.341 -4.047 13.176 577 HE2 LYS 65 1HE LYS 65 -1.596 -2.448 14.814 578 HE3 LYS 65 2HE LYS 65 -2.057 -3.113 13.248 579 HZ1 LYS 65 3HZ LYS 65 -2.426 -5.046 14.229 580 HZ2 LYS 65 1HZ LYS 65 -1.954 -4.415 15.727 581 HZ3 LYS 65 2HZ LYS 65 -0.807 -5.136 14.714 582 H GLN 66 H GLN 66 4.129 -3.409 12.314 583 HA GLN 66 HA GLN 66 2.989 -5.918 12.207 584 HB2 GLN 66 1HB GLN 66 4.641 -4.394 10.566 585 HB3 GLN 66 2HB GLN 66 5.559 -5.866 10.851 586 HG2 GLN 66 1HG GLN 66 2.720 -6.235 10.164 587 HG3 GLN 66 2HG GLN 66 3.748 -5.581 8.891 588 HE21 GLN 66 2HE2 GLN 66 5.930 -6.794 8.754 589 HE22 GLN 66 1HE2 GLN 66 5.810 -8.517 8.740 590 H LYS 67 H LYS 67 6.470 -5.352 12.750 591 HA LYS 67 HA LYS 67 6.638 -7.949 14.083 592 HB2 LYS 67 1HB LYS 67 9.118 -7.514 13.973 593 HB3 LYS 67 2HB LYS 67 8.312 -7.641 12.415 594 HG2 LYS 67 1HG LYS 67 8.448 -5.332 12.032 595 HG3 LYS 67 2HG LYS 67 8.831 -4.991 13.720 596 HD2 LYS 67 1HD LYS 67 10.617 -6.557 11.861 597 HD3 LYS 67 2HD LYS 67 10.782 -4.826 12.169 598 HE2 LYS 67 1HE LYS 67 10.996 -5.385 14.608 599 HE3 LYS 67 2HE LYS 67 11.071 -7.084 14.144 600 HZ1 LYS 67 3HZ LYS 67 12.946 -6.105 12.566 601 HZ2 LYS 67 1HZ LYS 67 13.269 -6.629 14.141 602 HZ3 LYS 67 2HZ LYS 67 13.062 -4.981 13.825 603 HA PRO 68 HA PRO 68 6.945 -6.334 18.153 604 HB2 PRO 68 1HB PRO 68 8.718 -8.052 19.282 605 HB3 PRO 68 2HB PRO 68 7.058 -8.509 18.884 606 HG2 PRO 68 1HG PRO 68 9.581 -9.029 17.360 607 HG3 PRO 68 2HG PRO 68 8.221 -10.121 17.679 608 HD2 PRO 68 1HD PRO 68 8.533 -8.832 15.318 609 HD3 PRO 68 2HD PRO 68 6.936 -9.216 15.993 Start of MODEL 15 1 H1 GLY 1 H GLY 1 0.472 -0.857 -0.371 2 HA2 GLY 1 1HA GLY 1 2.930 -0.953 -1.586 3 HA3 GLY 1 2HA GLY 1 1.439 -0.584 -2.441 4 HA PRO 2 HA PRO 2 4.414 3.046 -2.616 5 HB2 PRO 2 1HB PRO 2 4.622 3.125 -5.322 6 HB3 PRO 2 2HB PRO 2 5.692 2.154 -4.304 7 HG2 PRO 2 1HG PRO 2 3.278 1.311 -5.862 8 HG3 PRO 2 2HG PRO 2 4.846 0.498 -5.701 9 HD2 PRO 2 1HD PRO 2 2.661 -0.258 -4.291 10 HD3 PRO 2 2HD PRO 2 4.310 -0.403 -3.648 11 H ARG 3 H ARG 3 2.283 3.927 -1.842 12 HA ARG 3 HA ARG 3 1.371 5.939 -3.590 13 HB2 ARG 3 1HB ARG 3 -0.846 5.252 -4.097 14 HB3 ARG 3 2HB ARG 3 0.204 3.918 -4.558 15 HG2 ARG 3 1HG ARG 3 -0.341 2.838 -2.374 16 HG3 ARG 3 2HG ARG 3 -1.531 4.114 -2.110 17 HD2 ARG 3 1HD ARG 3 -2.913 3.359 -3.790 18 HD3 ARG 3 2HD ARG 3 -1.598 2.567 -4.658 19 HE ARG 3 HE ARG 3 -2.138 1.363 -2.117 20 HH11 ARG 3 1HH1 ARG 3 -3.115 1.494 -5.456 21 HH12 ARG 3 2HH1 ARG 3 -3.800 -0.098 -5.453 22 HH21 ARG 3 1HH2 ARG 3 -3.036 -0.733 -2.101 23 HH22 ARG 3 2HH2 ARG 3 -3.755 -1.363 -3.544 24 H LYS 4 H LYS 4 0.336 7.538 -2.483 25 HA LYS 4 HA LYS 4 -0.270 6.986 0.348 26 HB2 LYS 4 1HB LYS 4 1.697 8.516 -0.191 27 HB3 LYS 4 2HB LYS 4 0.510 9.671 -0.782 28 HG2 LYS 4 1HG LYS 4 0.066 8.587 1.930 29 HG3 LYS 4 2HG LYS 4 1.437 9.679 1.718 30 HD2 LYS 4 1HD LYS 4 -1.172 10.473 0.536 31 HD3 LYS 4 2HD LYS 4 -0.997 10.569 2.290 32 HE2 LYS 4 1HE LYS 4 1.028 11.944 1.979 33 HE3 LYS 4 2HE LYS 4 0.773 11.891 0.235 34 HZ1 LYS 4 3HZ LYS 4 -1.393 12.855 1.970 35 HZ2 LYS 4 1HZ LYS 4 -1.039 13.263 0.366 36 HZ3 LYS 4 2HZ LYS 4 -0.098 13.887 1.625 37 H ASN 5 H ASN 5 -1.471 8.123 -2.646 38 HA ASN 5 HA ASN 5 -4.105 8.460 -1.517 39 HB2 ASN 5 1HB ASN 5 -3.085 10.705 -1.213 40 HB3 ASN 5 2HB ASN 5 -2.804 10.787 -2.949 41 HD21 ASN 5 2HD2 ASN 5 -4.088 12.720 -2.866 42 HD22 ASN 5 1HD2 ASN 5 -5.812 12.607 -2.879 43 H ARG 6 H ARG 6 -2.552 9.653 -4.491 44 HA ARG 6 HA ARG 6 -3.568 7.534 -6.108 45 HB2 ARG 6 1HB ARG 6 -5.007 9.171 -7.503 46 HB3 ARG 6 2HB ARG 6 -5.685 8.501 -6.026 47 HG2 ARG 6 1HG ARG 6 -6.221 10.820 -6.109 48 HG3 ARG 6 2HG ARG 6 -5.011 10.585 -4.846 49 HD2 ARG 6 1HD ARG 6 -3.439 11.770 -5.950 50 HD3 ARG 6 2HD ARG 6 -3.952 11.175 -7.529 51 HE ARG 6 HE ARG 6 -5.962 12.829 -6.851 52 HH11 ARG 6 1HH1 ARG 6 -2.502 13.216 -6.869 53 HH12 ARG 6 2HH1 ARG 6 -2.563 14.917 -7.192 54 HH21 ARG 6 1HH2 ARG 6 -6.056 15.068 -7.276 55 HH22 ARG 6 2HH2 ARG 6 -4.585 15.970 -7.423 56 H ARG 7 H ARG 7 -3.520 8.457 -8.569 57 HA ARG 7 HA ARG 7 -2.113 9.023 -10.266 58 HB2 ARG 7 1HB ARG 7 -2.114 11.308 -8.414 59 HB3 ARG 7 2HB ARG 7 -0.728 11.251 -9.496 60 HG2 ARG 7 1HG ARG 7 -2.273 12.531 -10.655 61 HG3 ARG 7 2HG ARG 7 -2.458 10.927 -11.365 62 HD2 ARG 7 1HD ARG 7 -4.361 10.531 -9.809 63 HD3 ARG 7 2HD ARG 7 -4.216 12.205 -9.277 64 HE ARG 7 HE ARG 7 -5.408 11.263 -11.704 65 HH11 ARG 7 1HH1 ARG 7 -3.771 13.945 -10.205 66 HH12 ARG 7 2HH1 ARG 7 -4.451 15.127 -11.273 67 HH21 ARG 7 1HH2 ARG 7 -6.310 12.810 -13.117 68 HH22 ARG 7 2HH2 ARG 7 -5.897 14.480 -12.929 69 H GLU 8 H GLU 8 -0.725 7.269 -10.202 70 HA GLU 8 HA GLU 8 1.760 7.617 -8.665 71 HB2 GLU 8 1HB GLU 8 0.151 5.499 -8.546 72 HB3 GLU 8 2HB GLU 8 1.087 5.019 -9.955 73 HG2 GLU 8 1HG GLU 8 3.154 5.387 -8.583 74 HG3 GLU 8 2HG GLU 8 2.100 5.587 -7.184 75 H ARG 9 H ARG 9 3.758 6.850 -9.706 76 HA ARG 9 HA ARG 9 4.209 8.101 -12.159 77 HB2 ARG 9 1HB ARG 9 5.868 7.309 -10.302 78 HB3 ARG 9 2HB ARG 9 5.925 5.821 -11.238 79 HG2 ARG 9 1HG ARG 9 6.335 8.371 -12.691 80 HG3 ARG 9 2HG ARG 9 7.628 7.808 -11.630 81 HD2 ARG 9 1HD ARG 9 8.008 5.908 -12.881 82 HD3 ARG 9 2HD ARG 9 6.381 5.905 -13.560 83 HE ARG 9 HE ARG 9 7.486 8.154 -14.587 84 HH11 ARG 9 1HH1 ARG 9 8.476 4.818 -14.489 85 HH12 ARG 9 2HH1 ARG 9 9.345 4.896 -15.985 86 HH21 ARG 9 1HH2 ARG 9 8.628 8.269 -16.559 87 HH22 ARG 9 2HH2 ARG 9 9.431 6.860 -17.162 88 H THR 10 H THR 10 3.156 4.872 -11.409 89 HA THR 10 HA THR 10 2.236 4.353 -14.010 90 HB THR 10 HB THR 10 4.729 4.147 -14.403 91 HG1 THR 10 HG1 THR 10 4.336 1.903 -15.379 92 HG21 THR 10 3HG2 THR 10 4.797 1.426 -13.349 93 HG22 THR 10 1HG2 THR 10 4.682 2.655 -12.090 94 HG23 THR 10 2HG2 THR 10 6.006 2.706 -13.254 95 H THR 11 H THR 11 2.141 1.694 -14.207 96 HA THR 11 HA THR 11 0.185 0.872 -12.469 97 HB THR 11 HB THR 11 0.724 -1.460 -13.129 98 HG1 THR 11 HG1 THR 11 2.496 -1.701 -14.634 99 HG21 THR 11 3HG2 THR 11 1.043 -0.052 -15.690 100 HG22 THR 11 1HG2 THR 11 -0.277 0.538 -14.681 101 HG23 THR 11 2HG2 THR 11 -0.220 -1.160 -15.155 102 H TYR 12 H TYR 12 3.651 0.070 -12.255 103 HA TYR 12 HA TYR 12 3.590 0.139 -9.394 104 HB2 TYR 12 1HB TYR 12 4.423 -2.300 -9.245 105 HB3 TYR 12 2HB TYR 12 2.694 -2.024 -9.428 106 HD1 TYR 12 HD2 TYR 12 1.602 -2.436 -11.613 107 HD2 TYR 12 HD1 TYR 12 5.688 -3.414 -10.940 108 HE1 TYR 12 HE2 TYR 12 1.578 -3.880 -13.604 109 HE2 TYR 12 HE1 TYR 12 5.675 -4.860 -12.929 110 HH TYR 12 HH TYR 12 2.945 -5.945 -14.397 111 H SER 13 H SER 13 5.382 1.319 -9.171 112 HA SER 13 HA SER 13 7.885 0.230 -10.241 113 HB2 SER 13 1HB SER 13 7.169 2.018 -11.780 114 HB3 SER 13 2HB SER 13 7.082 3.145 -10.427 115 HG SER 13 HG SER 13 9.291 2.133 -11.764 116 H ARG 14 H ARG 14 9.798 1.009 -9.127 117 HA ARG 14 HA ARG 14 9.318 1.264 -6.295 118 HB2 ARG 14 1HB ARG 14 11.800 1.150 -6.129 119 HB3 ARG 14 2HB ARG 14 11.092 -0.200 -7.006 120 HG2 ARG 14 1HG ARG 14 11.808 1.985 -8.768 121 HG3 ARG 14 2HG ARG 14 13.186 1.390 -7.841 122 HD2 ARG 14 1HD ARG 14 11.394 -0.626 -9.070 123 HD3 ARG 14 2HD ARG 14 12.428 0.303 -10.154 124 HE ARG 14 HE ARG 14 13.244 -1.738 -8.309 125 HH11 ARG 14 1HH1 ARG 14 14.251 1.105 -10.047 126 HH12 ARG 14 2HH1 ARG 14 15.931 0.683 -10.025 127 HH21 ARG 14 1HH2 ARG 14 15.453 -2.305 -8.273 128 HH22 ARG 14 2HH2 ARG 14 16.614 -1.258 -9.016 129 H GLN 15 H GLN 15 9.829 3.391 -8.894 130 HA GLN 15 HA GLN 15 11.310 5.468 -7.910 131 HB2 GLN 15 1HB GLN 15 8.762 5.630 -9.526 132 HB3 GLN 15 2HB GLN 15 9.884 6.965 -9.299 133 HG2 GLN 15 1HG GLN 15 11.584 5.118 -10.224 134 HG3 GLN 15 2HG GLN 15 10.102 4.570 -11.004 135 HE21 GLN 15 2HE2 GLN 15 12.686 6.035 -11.828 136 HE22 GLN 15 1HE2 GLN 15 12.105 7.317 -12.831 137 H GLN 16 H GLN 16 7.814 4.992 -7.425 138 HA GLN 16 HA GLN 16 7.316 7.222 -5.854 139 HB2 GLN 16 1HB GLN 16 6.036 4.488 -5.689 140 HB3 GLN 16 2HB GLN 16 5.384 5.950 -4.962 141 HG2 GLN 16 1HG GLN 16 5.969 6.129 -7.835 142 HG3 GLN 16 2HG GLN 16 4.683 5.009 -7.388 143 HE21 GLN 16 2HE2 GLN 16 5.025 7.896 -8.568 144 HE22 GLN 16 1HE2 GLN 16 3.749 8.760 -7.788 145 H LEU 17 H LEU 17 8.728 4.136 -4.989 146 HA LEU 17 HA LEU 17 8.716 4.787 -2.155 147 HB2 LEU 17 1HB LEU 17 9.760 2.408 -3.679 148 HB3 LEU 17 2HB LEU 17 9.862 2.583 -1.929 149 HG LEU 17 HG LEU 17 7.165 2.807 -3.125 150 HD11 LEU 17 1HD1 LEU 17 8.476 0.117 -2.817 151 HD12 LEU 17 2HD1 LEU 17 8.289 0.937 -4.367 152 HD13 LEU 17 3HD1 LEU 17 6.864 0.475 -3.437 153 HD21 LEU 17 3HD2 LEU 17 7.146 2.941 -0.818 154 HD22 LEU 17 1HD2 LEU 17 8.431 1.747 -0.633 155 HD23 LEU 17 2HD2 LEU 17 6.807 1.231 -1.090 156 H GLU 18 H GLU 18 10.664 5.384 -4.820 157 HA GLU 18 HA GLU 18 13.230 5.209 -3.582 158 HB2 GLU 18 1HB GLU 18 12.228 6.552 -6.085 159 HB3 GLU 18 2HB GLU 18 13.899 6.691 -5.559 160 HG2 GLU 18 1HG GLU 18 13.691 4.049 -5.469 161 HG3 GLU 18 2HG GLU 18 12.445 4.366 -6.674 162 H ILE 19 H ILE 19 10.902 7.811 -4.123 163 HA ILE 19 HA ILE 19 12.296 10.044 -3.447 164 HB ILE 19 HB ILE 19 9.533 9.436 -2.392 165 HG12 ILE 19 1HG1 ILE 19 9.410 11.015 -4.728 166 HG13 ILE 19 2HG1 ILE 19 10.497 9.680 -5.094 167 HG21 ILE 19 1HG2 ILE 19 9.299 11.631 -1.913 168 HG22 ILE 19 2HG2 ILE 19 11.056 11.560 -1.781 169 HG23 ILE 19 3HG2 ILE 19 10.306 12.145 -3.266 170 HD11 ILE 19 3HD1 ILE 19 8.855 8.104 -4.871 171 HD12 ILE 19 1HD1 ILE 19 7.892 9.101 -3.781 172 HD13 ILE 19 2HD1 ILE 19 7.933 9.466 -5.506 173 H LEU 20 H LEU 20 11.073 7.581 -1.240 174 HA LEU 20 HA LEU 20 12.158 9.027 1.054 175 HB2 LEU 20 1HB LEU 20 10.964 6.359 1.430 176 HB3 LEU 20 2HB LEU 20 10.751 7.840 2.362 177 HG LEU 20 HG LEU 20 8.639 7.340 1.453 178 HD11 LEU 20 1HD1 LEU 20 9.565 9.258 -0.627 179 HD12 LEU 20 2HD1 LEU 20 9.707 9.707 1.072 180 HD13 LEU 20 3HD1 LEU 20 8.129 9.304 0.396 181 HD21 LEU 20 3HD2 LEU 20 8.313 6.181 -0.418 182 HD22 LEU 20 1HD2 LEU 20 10.067 6.033 -0.537 183 HD23 LEU 20 2HD2 LEU 20 9.232 7.340 -1.379 184 H GLU 21 H GLU 21 12.258 5.652 -0.110 185 HA GLU 21 HA GLU 21 14.293 4.668 1.395 186 HB2 GLU 21 1HB GLU 21 12.907 3.739 -0.741 187 HB3 GLU 21 2HB GLU 21 14.494 3.956 -1.465 188 HG2 GLU 21 1HG GLU 21 15.295 2.663 0.670 189 HG3 GLU 21 2HG GLU 21 13.627 2.093 0.683 190 H THR 22 H THR 22 14.542 6.950 -1.219 191 HA THR 22 HA THR 22 17.449 6.766 -1.286 192 HB THR 22 HB THR 22 15.693 8.684 -2.823 193 HG1 THR 22 HG1 THR 22 15.281 6.351 -3.178 194 HG21 THR 22 3HG2 THR 22 17.928 9.431 -2.904 195 HG22 THR 22 1HG2 THR 22 17.688 8.541 -4.407 196 HG23 THR 22 2HG2 THR 22 18.556 7.792 -3.067 197 H LEU 23 H LEU 23 14.993 9.285 -0.705 198 HA LEU 23 HA LEU 23 16.890 11.175 0.273 199 HB2 LEU 23 1HB LEU 23 14.656 11.697 -0.759 200 HB3 LEU 23 2HB LEU 23 13.918 11.164 0.750 201 HG LEU 23 HG LEU 23 15.938 13.385 0.691 202 HD11 LEU 23 1HD1 LEU 23 14.446 14.418 -0.676 203 HD12 LEU 23 2HD1 LEU 23 13.673 14.754 0.873 204 HD13 LEU 23 3HD1 LEU 23 13.090 13.428 -0.133 205 HD21 LEU 23 3HD2 LEU 23 15.643 13.162 2.888 206 HD22 LEU 23 1HD2 LEU 23 14.266 12.082 2.673 207 HD23 LEU 23 2HD2 LEU 23 14.029 13.829 2.639 208 H PHE 24 H PHE 24 14.186 9.590 1.981 209 HA PHE 24 HA PHE 24 14.802 10.240 4.549 210 HB2 PHE 24 1HB PHE 24 12.798 9.005 4.054 211 HB3 PHE 24 2HB PHE 24 13.729 7.619 3.497 212 HD1 PHE 24 HD1 PHE 24 13.113 9.694 6.521 213 HD2 PHE 24 HD2 PHE 24 14.204 5.889 4.956 214 HE1 PHE 24 HE1 PHE 24 13.046 8.745 8.790 215 HE2 PHE 24 HE2 PHE 24 14.138 4.934 7.222 216 HZ PHE 24 HZ PHE 24 13.558 6.362 9.143 217 H ASN 25 H ASN 25 16.326 7.765 2.573 218 HA ASN 25 HA ASN 25 17.923 6.734 4.735 219 HB2 ASN 25 1HB ASN 25 17.156 5.409 2.705 220 HB3 ASN 25 2HB ASN 25 18.371 6.289 1.782 221 HD21 ASN 25 2HD2 ASN 25 17.799 3.906 4.235 222 HD22 ASN 25 1HD2 ASN 25 19.409 3.283 4.294 223 H GLU 26 H GLU 26 18.434 8.864 1.956 224 HA GLU 26 HA GLU 26 21.175 9.191 2.087 225 HB2 GLU 26 1HB GLU 26 19.836 10.123 0.280 226 HB3 GLU 26 2HB GLU 26 19.070 11.246 1.395 227 HG2 GLU 26 1HG GLU 26 20.903 12.169 -0.081 228 HG3 GLU 26 2HG GLU 26 21.023 12.510 1.644 229 H THR 27 H THR 27 18.667 11.015 3.819 230 HA THR 27 HA THR 27 20.188 11.342 6.153 231 HB THR 27 HB THR 27 20.138 14.049 5.597 232 HG1 THR 27 HG1 THR 27 19.964 13.071 3.284 233 HG21 THR 27 3HG2 THR 27 22.676 12.669 5.009 234 HG22 THR 27 1HG2 THR 27 21.923 12.249 6.547 235 HG23 THR 27 2HG2 THR 27 22.318 13.930 6.188 236 H GLN 28 H GLN 28 19.232 13.276 7.507 237 HA GLN 28 HA GLN 28 16.316 13.127 7.179 238 HB2 GLN 28 1HB GLN 28 18.071 13.508 9.595 239 HB3 GLN 28 2HB GLN 28 16.350 13.866 9.636 240 HG2 GLN 28 1HG GLN 28 16.007 11.484 8.799 241 HG3 GLN 28 2HG GLN 28 17.698 11.222 9.224 242 HE21 GLN 28 2HE2 GLN 28 18.136 12.317 11.519 243 HE22 GLN 28 1HE2 GLN 28 17.056 11.769 12.751 244 H TYR 29 H TYR 29 17.671 14.961 5.593 245 HA TYR 29 HA TYR 29 17.065 17.537 6.885 246 HB2 TYR 29 1HB TYR 29 19.008 16.801 4.706 247 HB3 TYR 29 2HB TYR 29 18.501 18.466 4.967 248 HD1 TYR 29 HD2 TYR 29 19.861 15.563 6.890 249 HD2 TYR 29 HD1 TYR 29 19.776 19.785 6.369 250 HE1 TYR 29 HE2 TYR 29 21.580 15.807 8.632 251 HE2 TYR 29 HE1 TYR 29 21.496 20.040 8.109 252 HH TYR 29 HH TYR 29 23.471 18.125 9.038 253 HA PRO 30 HA PRO 30 13.746 16.912 3.731 254 HB2 PRO 30 1HB PRO 30 11.782 17.979 5.271 255 HB3 PRO 30 2HB PRO 30 12.261 16.280 5.367 256 HG2 PRO 30 1HG PRO 30 13.033 18.570 7.135 257 HG3 PRO 30 2HG PRO 30 12.575 16.916 7.582 258 HD2 PRO 30 1HD PRO 30 15.153 17.739 7.491 259 HD3 PRO 30 2HD PRO 30 14.668 16.074 7.110 260 H ASP 31 H ASP 31 15.132 18.628 2.709 261 HA ASP 31 HA ASP 31 13.792 21.240 2.935 262 HB2 ASP 31 1HB ASP 31 16.313 20.911 3.774 263 HB3 ASP 31 2HB ASP 31 16.635 21.175 2.063 264 H VAL 32 H VAL 32 14.440 22.622 0.904 265 HA VAL 32 HA VAL 32 13.224 21.516 -1.320 266 HB VAL 32 HB VAL 32 14.528 23.355 -2.603 267 HG11 VAL 32 1HG1 VAL 32 12.526 23.768 -0.415 268 HG12 VAL 32 2HG1 VAL 32 13.111 25.132 -1.370 269 HG13 VAL 32 3HG1 VAL 32 12.289 23.787 -2.162 270 HG21 VAL 32 3HG2 VAL 32 15.991 24.657 -1.520 271 HG22 VAL 32 1HG2 VAL 32 14.968 24.764 -0.087 272 HG23 VAL 32 2HG2 VAL 32 16.035 23.377 -0.308 273 H PHE 33 H PHE 33 16.656 21.643 -0.492 274 HA PHE 33 HA PHE 33 17.711 20.716 -2.905 275 HB2 PHE 33 1HB PHE 33 18.633 20.974 -0.135 276 HB3 PHE 33 2HB PHE 33 19.399 19.652 -1.009 277 HD1 PHE 33 HD1 PHE 33 20.551 20.156 -3.191 278 HD2 PHE 33 HD2 PHE 33 19.268 23.195 -0.501 279 HE1 PHE 33 HE1 PHE 33 22.077 21.754 -4.274 280 HE2 PHE 33 HE2 PHE 33 20.791 24.798 -1.580 281 HZ PHE 33 HZ PHE 33 22.197 24.079 -3.470 282 H ALA 34 H ALA 34 15.962 19.066 -0.439 283 HA ALA 34 HA ALA 34 16.830 16.428 -1.288 284 HB1 ALA 34 1HB ALA 34 16.054 17.332 1.113 285 HB2 ALA 34 2HB ALA 34 14.516 16.699 0.525 286 HB3 ALA 34 3HB ALA 34 15.923 15.641 0.627 287 H ARG 35 H ARG 35 13.622 17.960 -0.937 288 HA ARG 35 HA ARG 35 12.203 16.132 -2.465 289 HB2 ARG 35 1HB ARG 35 10.538 17.976 -2.770 290 HB3 ARG 35 2HB ARG 35 11.030 17.715 -1.102 291 HG2 ARG 35 1HG ARG 35 12.668 19.605 -1.412 292 HG3 ARG 35 2HG ARG 35 11.859 19.936 -2.945 293 HD2 ARG 35 1HD ARG 35 10.313 21.106 -1.865 294 HD3 ARG 35 2HD ARG 35 9.854 19.658 -0.971 295 HE ARG 35 HE ARG 35 12.006 20.540 0.391 296 HH11 ARG 35 1HH1 ARG 35 9.086 22.097 -0.691 297 HH12 ARG 35 2HH1 ARG 35 9.049 23.229 0.620 298 HH21 ARG 35 1HH2 ARG 35 11.967 22.025 2.123 299 HH22 ARG 35 2HH2 ARG 35 10.688 23.187 2.220 300 H GLU 36 H GLU 36 13.782 19.143 -3.484 301 HA GLU 36 HA GLU 36 12.978 19.054 -6.176 302 HB2 GLU 36 1HB GLU 36 13.927 21.056 -5.076 303 HB3 GLU 36 2HB GLU 36 15.495 20.264 -5.015 304 HG2 GLU 36 1HG GLU 36 15.849 20.479 -7.271 305 HG3 GLU 36 2HG GLU 36 14.128 20.569 -7.642 306 H ARG 37 H ARG 37 15.453 17.362 -4.439 307 HA ARG 37 HA ARG 37 16.981 16.597 -6.740 308 HB2 ARG 37 1HB ARG 37 18.002 16.709 -4.515 309 HB3 ARG 37 2HB ARG 37 16.925 15.441 -3.947 310 HG2 ARG 37 1HG ARG 37 17.990 14.090 -5.930 311 HG3 ARG 37 2HG ARG 37 19.296 15.260 -5.730 312 HD2 ARG 37 1HD ARG 37 18.200 13.869 -3.329 313 HD3 ARG 37 2HD ARG 37 19.299 12.999 -4.399 314 HE ARG 37 HE ARG 37 19.976 15.081 -2.560 315 HH11 ARG 37 1HH1 ARG 37 20.856 13.586 -5.578 316 HH12 ARG 37 2HH1 ARG 37 22.517 14.069 -5.483 317 HH21 ARG 37 1HH2 ARG 37 22.160 15.722 -2.423 318 HH22 ARG 37 2HH2 ARG 37 23.258 15.283 -3.687 319 H VAL 38 H VAL 38 15.041 14.635 -4.473 320 HA VAL 38 HA VAL 38 14.945 12.318 -5.984 321 HB VAL 38 HB VAL 38 12.731 11.892 -4.775 322 HG11 VAL 38 1HG1 VAL 38 15.117 12.606 -3.075 323 HG12 VAL 38 2HG1 VAL 38 13.839 11.454 -2.680 324 HG13 VAL 38 3HG1 VAL 38 14.954 11.117 -4.005 325 HG21 VAL 38 3HG2 VAL 38 12.426 14.462 -4.514 326 HG22 VAL 38 1HG2 VAL 38 11.929 13.390 -3.205 327 HG23 VAL 38 2HG2 VAL 38 13.459 14.260 -3.099 328 H ALA 39 H ALA 39 13.192 15.283 -6.385 329 HA ALA 39 HA ALA 39 10.985 14.434 -7.852 330 HB1 ALA 39 1HB ALA 39 11.576 16.827 -9.014 331 HB2 ALA 39 2HB ALA 39 10.702 16.629 -7.494 332 HB3 ALA 39 3HB ALA 39 12.436 16.950 -7.479 333 H ASP 40 H ASP 40 14.327 14.756 -8.786 334 HA ASP 40 HA ASP 40 13.755 14.487 -11.614 335 HB2 ASP 40 1HB ASP 40 15.699 15.820 -10.559 336 HB3 ASP 40 2HB ASP 40 16.481 14.255 -10.361 337 H GLN 41 H GLN 41 14.212 12.430 -8.954 338 HA GLN 41 HA GLN 41 15.332 10.212 -10.401 339 HB2 GLN 41 1HB GLN 41 14.120 10.460 -7.649 340 HB3 GLN 41 2HB GLN 41 14.741 8.945 -8.291 341 HG2 GLN 41 1HG GLN 41 16.495 11.351 -8.282 342 HG3 GLN 41 2HG GLN 41 16.227 10.465 -6.782 343 HE21 GLN 41 2HE2 GLN 41 16.704 8.155 -6.815 344 HE22 GLN 41 1HE2 GLN 41 17.999 7.586 -7.806 345 H ILE 42 H ILE 42 12.148 10.896 -8.957 346 HA ILE 42 HA ILE 42 10.985 8.652 -10.398 347 HB ILE 42 HB ILE 42 9.059 8.914 -9.091 348 HG12 ILE 42 1HG1 ILE 42 10.028 11.659 -8.268 349 HG13 ILE 42 2HG1 ILE 42 8.816 11.361 -9.510 350 HG21 ILE 42 1HG2 ILE 42 11.138 8.211 -7.864 351 HG22 ILE 42 2HG2 ILE 42 11.237 9.858 -7.242 352 HG23 ILE 42 3HG2 ILE 42 9.844 8.850 -6.851 353 HD11 ILE 42 3HD1 ILE 42 7.506 11.826 -7.695 354 HD12 ILE 42 1HD1 ILE 42 7.602 10.068 -7.598 355 HD13 ILE 42 2HD1 ILE 42 8.618 11.066 -6.558 356 H ARG 43 H ARG 43 11.660 11.818 -11.074 357 HA ARG 43 HA ARG 43 11.065 13.206 -12.778 358 HB2 ARG 43 1HB ARG 43 10.917 10.949 -13.997 359 HB3 ARG 43 2HB ARG 43 9.178 11.083 -13.775 360 HG2 ARG 43 1HG ARG 43 9.763 11.870 -15.964 361 HG3 ARG 43 2HG ARG 43 9.225 13.235 -14.984 362 HD2 ARG 43 1HD ARG 43 11.476 13.961 -14.637 363 HD3 ARG 43 2HD ARG 43 12.118 12.494 -15.377 364 HE ARG 43 HE ARG 43 10.654 13.568 -17.367 365 HH11 ARG 43 1HH1 ARG 43 13.097 14.876 -15.259 366 HH12 ARG 43 2HH1 ARG 43 13.671 16.024 -16.422 367 HH21 ARG 43 1HH2 ARG 43 11.402 15.076 -18.907 368 HH22 ARG 43 2HH2 ARG 43 12.706 16.138 -18.496 369 H LEU 44 H LEU 44 9.957 14.045 -10.660 370 HA LEU 44 HA LEU 44 7.224 14.739 -11.417 371 HB2 LEU 44 1HB LEU 44 7.165 12.804 -9.822 372 HB3 LEU 44 2HB LEU 44 7.919 13.854 -8.623 373 HG LEU 44 HG LEU 44 5.972 15.293 -8.609 374 HD11 LEU 44 1HD1 LEU 44 4.855 13.418 -10.689 375 HD12 LEU 44 2HD1 LEU 44 5.320 15.101 -10.938 376 HD13 LEU 44 3HD1 LEU 44 3.961 14.709 -9.885 377 HD21 LEU 44 3HD2 LEU 44 5.988 13.353 -7.121 378 HD22 LEU 44 1HD2 LEU 44 5.209 12.384 -8.372 379 HD23 LEU 44 2HD2 LEU 44 4.350 13.744 -7.649 380 H GLN 45 H GLN 45 6.379 16.558 -10.044 381 HA GLN 45 HA GLN 45 8.096 18.741 -10.128 382 HB2 GLN 45 1HB GLN 45 5.392 18.206 -9.223 383 HB3 GLN 45 2HB GLN 45 6.192 19.384 -8.191 384 HG2 GLN 45 1HG GLN 45 6.129 19.626 -11.182 385 HG3 GLN 45 2HG GLN 45 4.877 20.297 -10.138 386 HE21 GLN 45 2HE2 GLN 45 5.361 22.395 -10.800 387 HE22 GLN 45 1HE2 GLN 45 6.776 23.222 -10.257 388 H GLU 46 H GLU 46 8.978 20.047 -8.417 389 HA GLU 46 HA GLU 46 10.383 18.491 -6.481 390 HB2 GLU 46 1HB GLU 46 11.313 20.669 -5.750 391 HB3 GLU 46 2HB GLU 46 11.461 20.407 -7.482 392 HG2 GLU 46 1HG GLU 46 9.126 21.717 -7.431 393 HG3 GLU 46 2HG GLU 46 9.882 22.400 -5.992 394 H SER 47 H SER 47 7.757 20.864 -6.321 395 HA SER 47 HA SER 47 7.535 20.646 -3.455 396 HB2 SER 47 1HB SER 47 7.008 22.747 -4.706 397 HB3 SER 47 2HB SER 47 5.609 21.932 -5.404 398 HG SER 47 HG SER 47 6.089 22.568 -2.688 399 H ARG 48 H ARG 48 6.069 19.188 -6.252 400 HA ARG 48 HA ARG 48 3.762 18.151 -4.954 401 HB2 ARG 48 1HB ARG 48 3.917 18.417 -7.400 402 HB3 ARG 48 2HB ARG 48 5.162 17.177 -7.450 403 HG2 ARG 48 1HG ARG 48 3.663 15.473 -6.948 404 HG3 ARG 48 2HG ARG 48 2.460 16.593 -6.306 405 HD2 ARG 48 1HD ARG 48 1.848 17.334 -8.448 406 HD3 ARG 48 2HD ARG 48 3.296 16.654 -9.188 407 HE ARG 48 HE ARG 48 1.700 14.620 -8.019 408 HH11 ARG 48 1HH1 ARG 48 1.898 16.735 -10.777 409 HH12 ARG 48 2HH1 ARG 48 1.011 15.673 -11.819 410 HH21 ARG 48 1HH2 ARG 48 0.531 13.213 -9.382 411 HH22 ARG 48 2HH2 ARG 48 0.233 13.670 -11.024 412 H ILE 49 H ILE 49 6.921 16.749 -5.779 413 HA ILE 49 HA ILE 49 6.504 14.160 -4.886 414 HB ILE 49 HB ILE 49 8.623 15.416 -5.955 415 HG12 ILE 49 1HG1 ILE 49 8.770 12.884 -4.304 416 HG13 ILE 49 2HG1 ILE 49 8.170 12.989 -5.955 417 HG21 ILE 49 1HG2 ILE 49 10.414 15.703 -4.474 418 HG22 ILE 49 2HG2 ILE 49 9.040 16.443 -3.653 419 HG23 ILE 49 3HG2 ILE 49 9.593 14.838 -3.175 420 HD11 ILE 49 3HD1 ILE 49 10.219 12.916 -6.807 421 HD12 ILE 49 1HD1 ILE 49 10.834 14.102 -5.656 422 HD13 ILE 49 2HD1 ILE 49 10.737 12.401 -5.202 423 H GLN 50 H GLN 50 6.817 17.066 -3.069 424 HA GLN 50 HA GLN 50 7.743 16.043 -0.624 425 HB2 GLN 50 1HB GLN 50 6.901 18.528 -1.604 426 HB3 GLN 50 2HB GLN 50 5.825 18.177 -0.258 427 HG2 GLN 50 1HG GLN 50 7.742 17.846 1.204 428 HG3 GLN 50 2HG GLN 50 8.832 18.169 -0.143 429 HE21 GLN 50 2HE2 GLN 50 8.700 19.575 2.341 430 HE22 GLN 50 1HE2 GLN 50 8.292 21.214 1.980 431 H VAL 51 H VAL 51 4.680 15.820 -2.190 432 HA VAL 51 HA VAL 51 3.166 15.216 0.179 433 HB VAL 51 HB VAL 51 1.309 14.865 -1.227 434 HG11 VAL 51 1HG1 VAL 51 2.531 16.789 -3.065 435 HG12 VAL 51 2HG1 VAL 51 1.125 16.958 -2.011 436 HG13 VAL 51 3HG1 VAL 51 2.750 17.176 -1.359 437 HG21 VAL 51 3HG2 VAL 51 1.804 14.813 -3.813 438 HG22 VAL 51 1HG2 VAL 51 3.360 14.182 -3.274 439 HG23 VAL 51 2HG2 VAL 51 1.871 13.341 -2.845 440 H TRP 52 H TRP 52 4.831 13.398 -2.320 441 HA TRP 52 HA TRP 52 3.823 10.860 -1.347 442 HB2 TRP 52 1HB TRP 52 5.971 11.370 -3.414 443 HB3 TRP 52 2HB TRP 52 5.101 9.863 -3.143 444 HD1 TRP 52 HD1 TRP 52 5.181 12.288 -5.666 445 HE1 TRP 52 HE1 TRP 52 2.905 12.663 -6.808 446 HE3 TRP 52 HE3 TRP 52 2.145 10.157 -2.147 447 HZ2 TRP 52 HZ2 TRP 52 0.183 12.127 -6.286 448 HZ3 TRP 52 HZ3 TRP 52 -0.283 10.130 -2.545 449 HH2 TRP 52 HH2 TRP 52 -1.242 11.095 -4.572 450 H PHE 53 H PHE 53 6.426 12.953 -0.690 451 HA PHE 53 HA PHE 53 8.484 11.216 -0.002 452 HB2 PHE 53 1HB PHE 53 8.822 13.620 -0.089 453 HB3 PHE 53 2HB PHE 53 7.710 13.855 1.256 454 HD1 PHE 53 HD2 PHE 53 10.552 11.500 0.722 455 HD2 PHE 53 HD1 PHE 53 8.879 14.628 3.073 456 HE1 PHE 53 HE2 PHE 53 12.429 11.312 2.300 457 HE2 PHE 53 HE1 PHE 53 10.755 14.446 4.656 458 HZ PHE 53 HZ PHE 53 12.532 12.786 4.271 459 H LYS 54 H LYS 54 5.455 11.731 1.514 460 HA LYS 54 HA LYS 54 6.300 10.637 4.071 461 HB2 LYS 54 1HB LYS 54 4.407 12.452 3.473 462 HB3 LYS 54 2HB LYS 54 3.419 10.997 3.459 463 HG2 LYS 54 1HG LYS 54 4.943 10.784 5.771 464 HG3 LYS 54 2HG LYS 54 4.479 12.485 5.690 465 HD2 LYS 54 1HD LYS 54 2.156 11.908 5.547 466 HD3 LYS 54 2HD LYS 54 2.543 10.193 5.388 467 HE2 LYS 54 1HE LYS 54 2.544 9.961 7.597 468 HE3 LYS 54 2HE LYS 54 3.778 11.211 7.752 469 HZ1 LYS 54 3HZ LYS 54 2.238 12.439 8.741 470 HZ2 LYS 54 1HZ LYS 54 1.007 11.342 8.362 471 HZ3 LYS 54 2HZ LYS 54 1.429 12.553 7.260 472 H ASN 55 H ASN 55 5.102 9.517 1.087 473 HA ASN 55 HA ASN 55 3.476 7.418 1.542 474 HB2 ASN 55 1HB ASN 55 4.187 7.815 -0.689 475 HB3 ASN 55 2HB ASN 55 5.881 7.572 -0.272 476 HD21 ASN 55 2HD2 ASN 55 6.140 6.009 -1.857 477 HD22 ASN 55 1HD2 ASN 55 5.480 4.420 -1.700 478 H ARG 56 H ARG 56 6.993 6.853 1.401 479 HA ARG 56 HA ARG 56 6.689 4.492 3.053 480 HB2 ARG 56 1HB ARG 56 8.289 4.920 0.983 481 HB3 ARG 56 2HB ARG 56 9.362 5.533 2.234 482 HG2 ARG 56 1HG ARG 56 8.319 3.051 3.122 483 HG3 ARG 56 2HG ARG 56 8.888 2.850 1.463 484 HD2 ARG 56 1HD ARG 56 11.062 3.660 2.039 485 HD3 ARG 56 2HD ARG 56 10.517 4.134 3.647 486 HE ARG 56 HE ARG 56 10.834 1.981 4.338 487 HH11 ARG 56 1HH1 ARG 56 10.674 2.033 0.861 488 HH12 ARG 56 2HH1 ARG 56 11.097 0.362 0.686 489 HH21 ARG 56 1HH2 ARG 56 11.393 -0.220 4.121 490 HH22 ARG 56 2HH2 ARG 56 11.505 -0.919 2.541 491 H ARG 57 H ARG 57 8.200 7.681 3.263 492 HA ARG 57 HA ARG 57 9.623 7.466 5.598 493 HB2 ARG 57 1HB ARG 57 9.663 9.494 4.288 494 HB3 ARG 57 2HB ARG 57 7.960 9.787 4.612 495 HG2 ARG 57 1HG ARG 57 9.784 9.572 6.939 496 HG3 ARG 57 2HG ARG 57 9.885 11.023 5.939 497 HD2 ARG 57 1HD ARG 57 7.303 11.063 6.187 498 HD3 ARG 57 2HD ARG 57 7.588 9.992 7.558 499 HE ARG 57 HE ARG 57 8.391 11.780 8.740 500 HH11 ARG 57 1HH1 ARG 57 8.276 12.605 5.360 501 HH12 ARG 57 2HH1 ARG 57 8.657 14.275 5.621 502 HH21 ARG 57 1HH2 ARG 57 8.893 13.977 9.097 503 HH22 ARG 57 2HH2 ARG 57 9.008 15.054 7.747 504 H ALA 58 H ALA 58 6.164 7.592 5.182 505 HA ALA 58 HA ALA 58 5.674 7.942 8.024 506 HB1 ALA 58 1HB ALA 58 3.637 7.363 5.886 507 HB2 ALA 58 2HB ALA 58 3.372 8.083 7.475 508 HB3 ALA 58 3HB ALA 58 4.243 8.983 6.233 509 H LYS 59 H LYS 59 5.581 5.406 5.596 510 HA LYS 59 HA LYS 59 4.187 3.442 6.988 511 HB2 LYS 59 1HB LYS 59 5.946 3.566 4.684 512 HB3 LYS 59 2HB LYS 59 6.187 2.080 5.592 513 HG2 LYS 59 1HG LYS 59 4.527 1.846 3.796 514 HG3 LYS 59 2HG LYS 59 3.852 1.524 5.394 515 HD2 LYS 59 1HD LYS 59 2.370 3.179 5.189 516 HD3 LYS 59 2HD LYS 59 3.616 4.320 4.676 517 HE2 LYS 59 1HE LYS 59 3.465 3.481 2.396 518 HE3 LYS 59 2HE LYS 59 2.263 2.292 2.897 519 HZ1 LYS 59 3HZ LYS 59 0.756 3.824 2.394 520 HZ2 LYS 59 1HZ LYS 59 1.916 5.046 2.237 521 HZ3 LYS 59 2HZ LYS 59 1.265 4.689 3.756 522 H TYR 60 H TYR 60 7.327 4.729 7.539 523 HA TYR 60 HA TYR 60 8.696 2.664 8.739 524 HB2 TYR 60 1HB TYR 60 10.126 4.260 9.557 525 HB3 TYR 60 2HB TYR 60 9.275 5.228 8.358 526 HD1 TYR 60 HD1 TYR 60 7.093 6.427 9.278 527 HD2 TYR 60 HD2 TYR 60 10.342 5.114 11.691 528 HE1 TYR 60 HE1 TYR 60 6.429 8.021 11.029 529 HE2 TYR 60 HE2 TYR 60 9.686 6.703 13.449 530 HH TYR 60 HH TYR 60 7.609 9.234 12.957 531 H ARG 61 H ARG 61 5.951 4.431 9.921 532 HA ARG 61 HA ARG 61 6.231 3.549 12.648 533 HB2 ARG 61 1HB ARG 61 5.014 5.670 11.680 534 HB3 ARG 61 2HB ARG 61 3.653 4.567 11.523 535 HG2 ARG 61 1HG ARG 61 3.421 4.311 13.799 536 HG3 ARG 61 2HG ARG 61 5.096 4.762 14.125 537 HD2 ARG 61 1HD ARG 61 4.662 7.017 13.956 538 HD3 ARG 61 2HD ARG 61 3.256 6.775 12.920 539 HE ARG 61 HE ARG 61 3.293 6.873 15.778 540 HH11 ARG 61 1HH1 ARG 61 1.640 5.544 13.018 541 HH12 ARG 61 2HH1 ARG 61 0.132 5.354 13.849 542 HH21 ARG 61 1HH2 ARG 61 1.313 6.628 16.883 543 HH22 ARG 61 2HH2 ARG 61 -0.054 5.972 16.047 544 H LEU 62 H LEU 62 4.371 2.594 9.811 545 HA LEU 62 HA LEU 62 2.651 0.759 11.054 546 HB2 LEU 62 1HB LEU 62 2.697 1.715 8.632 547 HB3 LEU 62 2HB LEU 62 3.709 0.313 8.294 548 HG LEU 62 HG LEU 62 1.362 -0.066 7.692 549 HD11 LEU 62 1HD1 LEU 62 1.237 -2.230 8.519 550 HD12 LEU 62 2HD1 LEU 62 1.945 -1.786 10.072 551 HD13 LEU 62 3HD1 LEU 62 2.958 -1.859 8.631 552 HD21 LEU 62 3HD2 LEU 62 0.585 -0.151 10.562 553 HD22 LEU 62 1HD2 LEU 62 -0.403 0.134 9.129 554 HD23 LEU 62 2HD2 LEU 62 0.638 1.415 9.750 555 H GLN 63 H GLN 63 5.853 0.322 9.593 556 HA GLN 63 HA GLN 63 5.980 -2.475 10.000 557 HB2 GLN 63 1HB GLN 63 8.366 -2.247 9.535 558 HB3 GLN 63 2HB GLN 63 7.418 -1.306 8.392 559 HG2 GLN 63 1HG GLN 63 8.268 0.649 9.091 560 HG3 GLN 63 2HG GLN 63 8.299 0.153 10.782 561 HE21 GLN 63 2HE2 GLN 63 10.179 1.004 8.251 562 HE22 GLN 63 1HE2 GLN 63 11.656 0.230 8.702 563 H GLU 64 H GLU 64 6.342 0.191 12.115 564 HA GLU 64 HA GLU 64 8.126 -0.828 14.013 565 HB2 GLU 64 1HB GLU 64 6.854 1.510 13.759 566 HB3 GLU 64 2HB GLU 64 5.806 0.771 14.962 567 HG2 GLU 64 1HG GLU 64 8.763 1.267 15.197 568 HG3 GLU 64 2HG GLU 64 7.471 2.093 16.066 569 H LYS 65 H LYS 65 4.681 -1.353 13.553 570 HA LYS 65 HA LYS 65 4.652 -3.163 15.869 571 HB2 LYS 65 1HB LYS 65 2.141 -3.065 15.544 572 HB3 LYS 65 2HB LYS 65 2.909 -1.567 16.056 573 HG2 LYS 65 1HG LYS 65 2.615 -1.937 13.147 574 HG3 LYS 65 2HG LYS 65 1.122 -1.722 14.063 575 HD2 LYS 65 1HD LYS 65 3.490 0.116 14.337 576 HD3 LYS 65 2HD LYS 65 2.195 0.388 13.169 577 HE2 LYS 65 1HE LYS 65 1.672 0.015 16.106 578 HE3 LYS 65 2HE LYS 65 2.011 1.595 15.401 579 HZ1 LYS 65 3HZ LYS 65 0.106 0.822 13.775 580 HZ2 LYS 65 1HZ LYS 65 -0.238 1.584 15.246 581 HZ3 LYS 65 2HZ LYS 65 -0.352 -0.099 15.118 582 H GLN 66 H GLN 66 4.539 -3.058 12.439 583 HA GLN 66 HA GLN 66 3.340 -5.671 12.135 584 HB2 GLN 66 1HB GLN 66 2.815 -4.311 10.331 585 HB3 GLN 66 2HB GLN 66 4.420 -3.595 10.271 586 HG2 GLN 66 1HG GLN 66 3.972 -5.053 8.357 587 HG3 GLN 66 2HG GLN 66 5.333 -5.616 9.327 588 HE21 GLN 66 2HE2 GLN 66 5.027 -7.680 8.360 589 HE22 GLN 66 1HE2 GLN 66 3.790 -8.742 8.931 590 H LYS 67 H LYS 67 6.500 -4.310 11.184 591 HA LYS 67 HA LYS 67 7.674 -6.907 10.913 592 HB2 LYS 67 1HB LYS 67 8.755 -4.102 10.803 593 HB3 LYS 67 2HB LYS 67 9.824 -5.497 10.737 594 HG2 LYS 67 1HG LYS 67 8.669 -6.295 8.742 595 HG3 LYS 67 2HG LYS 67 7.584 -4.904 8.811 596 HD2 LYS 67 1HD LYS 67 9.842 -3.555 8.805 597 HD3 LYS 67 2HD LYS 67 10.472 -5.033 8.074 598 HE2 LYS 67 1HE LYS 67 8.090 -3.486 7.060 599 HE3 LYS 67 2HE LYS 67 9.724 -3.353 6.413 600 HZ1 LYS 67 3HZ LYS 67 9.203 -5.027 5.078 601 HZ2 LYS 67 1HZ LYS 67 7.737 -5.309 5.874 602 HZ3 LYS 67 2HZ LYS 67 9.155 -6.044 6.428 603 HA PRO 68 HA PRO 68 9.190 -7.638 14.966 604 HB2 PRO 68 1HB PRO 68 11.588 -8.806 14.461 605 HB3 PRO 68 2HB PRO 68 10.044 -9.619 14.174 606 HG2 PRO 68 1HG PRO 68 11.838 -8.218 12.229 607 HG3 PRO 68 2HG PRO 68 10.977 -9.758 12.048 608 HD2 PRO 68 1HD PRO 68 10.071 -7.446 10.968 609 HD3 PRO 68 2HD PRO 68 8.980 -8.725 11.538 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.486 -2.106 -0.496 2 HA2 GLY 1 1HA GLY 1 4.695 -1.172 -2.116 3 HA3 GLY 1 2HA GLY 1 3.001 -1.219 -2.583 4 HA PRO 2 HA PRO 2 4.349 3.190 -1.742 5 HB2 PRO 2 1HB PRO 2 3.694 4.156 -4.193 6 HB3 PRO 2 2HB PRO 2 5.282 3.475 -3.822 7 HG2 PRO 2 1HG PRO 2 2.944 2.198 -5.189 8 HG3 PRO 2 2HG PRO 2 4.665 2.119 -5.609 9 HD2 PRO 2 1HD PRO 2 3.395 0.125 -4.289 10 HD3 PRO 2 2HD PRO 2 5.108 0.507 -4.022 11 H ARG 3 H ARG 3 2.825 4.169 -0.576 12 HA ARG 3 HA ARG 3 0.174 4.563 -1.760 13 HB2 ARG 3 1HB ARG 3 0.610 2.703 0.237 14 HB3 ARG 3 2HB ARG 3 0.065 4.119 1.125 15 HG2 ARG 3 1HG ARG 3 -1.980 3.330 0.695 16 HG3 ARG 3 2HG ARG 3 -1.739 4.040 -0.902 17 HD2 ARG 3 1HD ARG 3 -1.251 1.998 -1.879 18 HD3 ARG 3 2HD ARG 3 -0.791 1.261 -0.345 19 HE ARG 3 HE ARG 3 -3.425 1.766 -0.015 20 HH11 ARG 3 1HH1 ARG 3 -1.597 0.146 -2.496 21 HH12 ARG 3 2HH1 ARG 3 -2.879 -0.944 -2.910 22 HH21 ARG 3 1HH2 ARG 3 -5.120 0.337 -0.552 23 HH22 ARG 3 2HH2 ARG 3 -4.882 -0.834 -1.804 24 H LYS 4 H LYS 4 -1.012 5.866 0.374 25 HA LYS 4 HA LYS 4 -1.166 7.880 1.427 26 HB2 LYS 4 1HB LYS 4 1.045 7.043 2.437 27 HB3 LYS 4 2HB LYS 4 1.832 8.124 1.294 28 HG2 LYS 4 1HG LYS 4 1.644 9.700 2.843 29 HG3 LYS 4 2HG LYS 4 -0.086 9.716 2.488 30 HD2 LYS 4 1HD LYS 4 0.816 7.607 4.339 31 HD3 LYS 4 2HD LYS 4 0.954 9.260 4.942 32 HE2 LYS 4 1HE LYS 4 -1.549 8.035 3.789 33 HE3 LYS 4 2HE LYS 4 -1.205 8.202 5.510 34 HZ1 LYS 4 3HZ LYS 4 -0.831 10.709 4.574 35 HZ2 LYS 4 1HZ LYS 4 -2.247 10.148 5.311 36 HZ3 LYS 4 2HZ LYS 4 -2.124 10.171 3.625 37 H ASN 5 H ASN 5 -1.505 7.828 -1.306 38 HA ASN 5 HA ASN 5 -0.880 10.569 -1.973 39 HB2 ASN 5 1HB ASN 5 -0.183 8.927 -4.264 40 HB3 ASN 5 2HB ASN 5 0.720 10.239 -3.512 41 HD21 ASN 5 2HD2 ASN 5 0.318 6.842 -3.791 42 HD22 ASN 5 1HD2 ASN 5 1.667 6.380 -2.815 43 H ARG 6 H ARG 6 -1.549 10.585 -4.630 44 HA ARG 6 HA ARG 6 -4.297 9.520 -4.613 45 HB2 ARG 6 1HB ARG 6 -3.568 11.914 -6.244 46 HB3 ARG 6 2HB ARG 6 -5.115 11.474 -5.534 47 HG2 ARG 6 1HG ARG 6 -4.479 12.226 -3.406 48 HG3 ARG 6 2HG ARG 6 -2.772 12.284 -3.848 49 HD2 ARG 6 1HD ARG 6 -3.457 14.521 -3.865 50 HD3 ARG 6 2HD ARG 6 -3.458 14.047 -5.563 51 HE ARG 6 HE ARG 6 -6.016 13.588 -4.613 52 HH11 ARG 6 1HH1 ARG 6 -3.875 16.303 -5.016 53 HH12 ARG 6 2HH1 ARG 6 -5.157 17.446 -5.249 54 HH21 ARG 6 1HH2 ARG 6 -7.712 15.082 -4.918 55 HH22 ARG 6 2HH2 ARG 6 -7.339 16.750 -5.192 56 H ARG 7 H ARG 7 -1.316 9.805 -6.318 57 HA ARG 7 HA ARG 7 -2.375 8.072 -8.424 58 HB2 ARG 7 1HB ARG 7 -0.729 10.550 -8.966 59 HB3 ARG 7 2HB ARG 7 -1.225 9.366 -10.168 60 HG2 ARG 7 1HG ARG 7 -3.234 10.852 -8.515 61 HG3 ARG 7 2HG ARG 7 -2.561 11.533 -9.997 62 HD2 ARG 7 1HD ARG 7 -3.243 9.246 -11.034 63 HD3 ARG 7 2HD ARG 7 -4.306 9.133 -9.632 64 HE ARG 7 HE ARG 7 -4.782 11.612 -10.714 65 HH11 ARG 7 1HH1 ARG 7 -4.957 8.315 -11.817 66 HH12 ARG 7 2HH1 ARG 7 -6.243 8.620 -12.937 67 HH21 ARG 7 1HH2 ARG 7 -6.475 12.027 -12.185 68 HH22 ARG 7 2HH2 ARG 7 -7.105 10.733 -13.146 69 H GLU 8 H GLU 8 -0.217 7.719 -9.978 70 HA GLU 8 HA GLU 8 2.136 7.266 -8.347 71 HB2 GLU 8 1HB GLU 8 0.665 4.954 -9.626 72 HB3 GLU 8 2HB GLU 8 2.234 4.858 -8.838 73 HG2 GLU 8 1HG GLU 8 1.202 5.530 -6.720 74 HG3 GLU 8 2HG GLU 8 -0.370 5.585 -7.516 75 H ARG 9 H ARG 9 4.011 6.799 -9.567 76 HA ARG 9 HA ARG 9 4.234 8.090 -12.008 77 HB2 ARG 9 1HB ARG 9 6.063 7.310 -10.344 78 HB3 ARG 9 2HB ARG 9 6.049 5.814 -11.269 79 HG2 ARG 9 1HG ARG 9 6.347 8.403 -12.710 80 HG3 ARG 9 2HG ARG 9 7.729 7.728 -11.844 81 HD2 ARG 9 1HD ARG 9 8.101 6.278 -13.484 82 HD3 ARG 9 2HD ARG 9 6.451 5.667 -13.363 83 HE ARG 9 HE ARG 9 6.199 7.984 -14.768 84 HH11 ARG 9 1HH1 ARG 9 8.114 5.100 -15.140 85 HH12 ARG 9 2HH1 ARG 9 8.160 5.197 -16.869 86 HH21 ARG 9 1HH2 ARG 9 6.253 8.122 -17.045 87 HH22 ARG 9 2HH2 ARG 9 7.102 6.917 -17.951 88 H THR 10 H THR 10 3.223 4.854 -11.304 89 HA THR 10 HA THR 10 2.170 4.416 -13.870 90 HB THR 10 HB THR 10 4.644 4.179 -14.375 91 HG1 THR 10 HG1 THR 10 3.336 3.236 -15.852 92 HG21 THR 10 3HG2 THR 10 4.761 2.709 -12.111 93 HG22 THR 10 1HG2 THR 10 5.932 2.580 -13.423 94 HG23 THR 10 2HG2 THR 10 4.602 1.427 -13.312 95 H THR 11 H THR 11 2.074 1.739 -14.113 96 HA THR 11 HA THR 11 0.155 0.898 -12.351 97 HB THR 11 HB THR 11 0.812 -1.461 -12.987 98 HG1 THR 11 HG1 THR 11 2.528 -1.749 -14.327 99 HG21 THR 11 3HG2 THR 11 0.577 0.452 -15.309 100 HG22 THR 11 1HG2 THR 11 -0.776 -0.037 -14.289 101 HG23 THR 11 2HG2 THR 11 0.074 -1.237 -15.263 102 H TYR 12 H TYR 12 3.618 0.063 -12.190 103 HA TYR 12 HA TYR 12 3.608 0.156 -9.328 104 HB2 TYR 12 1HB TYR 12 3.369 -2.443 -10.739 105 HB3 TYR 12 2HB TYR 12 4.531 -2.371 -9.419 106 HD1 TYR 12 HD2 TYR 12 3.529 -1.121 -7.242 107 HD2 TYR 12 HD1 TYR 12 1.247 -3.153 -10.203 108 HE1 TYR 12 HE2 TYR 12 1.709 -1.432 -5.618 109 HE2 TYR 12 HE1 TYR 12 -0.580 -3.468 -8.587 110 HH TYR 12 HH TYR 12 -0.322 -3.326 -5.469 111 H SER 13 H SER 13 5.418 1.314 -9.146 112 HA SER 13 HA SER 13 7.888 0.185 -10.253 113 HB2 SER 13 1HB SER 13 7.026 2.051 -11.728 114 HB3 SER 13 2HB SER 13 7.273 3.144 -10.366 115 HG SER 13 HG SER 13 9.298 3.207 -10.881 116 H ARG 14 H ARG 14 9.830 0.937 -9.175 117 HA ARG 14 HA ARG 14 9.403 1.216 -6.337 118 HB2 ARG 14 1HB ARG 14 11.876 1.050 -6.203 119 HB3 ARG 14 2HB ARG 14 11.143 -0.280 -7.090 120 HG2 ARG 14 1HG ARG 14 11.884 1.924 -8.825 121 HG3 ARG 14 2HG ARG 14 13.256 1.279 -7.922 122 HD2 ARG 14 1HD ARG 14 11.399 -0.661 -9.185 123 HD3 ARG 14 2HD ARG 14 12.470 0.253 -10.246 124 HE ARG 14 HE ARG 14 13.211 -1.835 -8.410 125 HH11 ARG 14 1HH1 ARG 14 14.307 0.947 -10.192 126 HH12 ARG 14 2HH1 ARG 14 15.968 0.454 -10.196 127 HH21 ARG 14 1HH2 ARG 14 15.394 -2.496 -8.409 128 HH22 ARG 14 2HH2 ARG 14 16.585 -1.506 -9.182 129 H GLN 15 H GLN 15 9.943 3.314 -8.965 130 HA GLN 15 HA GLN 15 11.455 5.374 -7.982 131 HB2 GLN 15 1HB GLN 15 8.938 5.553 -9.645 132 HB3 GLN 15 2HB GLN 15 10.064 6.881 -9.404 133 HG2 GLN 15 1HG GLN 15 11.203 4.348 -10.403 134 HG3 GLN 15 2HG GLN 15 10.156 5.239 -11.506 135 HE21 GLN 15 2HE2 GLN 15 11.252 6.484 -12.824 136 HE22 GLN 15 1HE2 GLN 15 12.698 7.353 -12.450 137 H GLN 16 H GLN 16 7.948 4.951 -7.535 138 HA GLN 16 HA GLN 16 7.463 7.210 -5.998 139 HB2 GLN 16 1HB GLN 16 6.124 4.513 -5.726 140 HB3 GLN 16 2HB GLN 16 5.472 6.054 -5.184 141 HG2 GLN 16 1HG GLN 16 4.903 6.716 -7.282 142 HG3 GLN 16 2HG GLN 16 6.203 5.801 -8.044 143 HE21 GLN 16 2HE2 GLN 16 3.463 4.986 -5.936 144 HE22 GLN 16 1HE2 GLN 16 2.839 3.732 -6.947 145 H LEU 17 H LEU 17 8.839 4.126 -5.091 146 HA LEU 17 HA LEU 17 8.784 4.796 -2.260 147 HB2 LEU 17 1HB LEU 17 9.903 2.397 -3.703 148 HB3 LEU 17 2HB LEU 17 9.825 2.588 -1.953 149 HG LEU 17 HG LEU 17 7.229 2.883 -3.250 150 HD11 LEU 17 1HD1 LEU 17 8.947 0.663 -4.024 151 HD12 LEU 17 2HD1 LEU 17 7.414 1.205 -4.707 152 HD13 LEU 17 3HD1 LEU 17 7.426 0.145 -3.297 153 HD21 LEU 17 3HD2 LEU 17 6.725 1.101 -1.498 154 HD22 LEU 17 1HD2 LEU 17 7.276 2.671 -0.914 155 HD23 LEU 17 2HD2 LEU 17 8.396 1.310 -0.972 156 H GLU 18 H GLU 18 10.773 5.362 -4.897 157 HA GLU 18 HA GLU 18 13.320 5.167 -3.618 158 HB2 GLU 18 1HB GLU 18 12.376 6.505 -6.148 159 HB3 GLU 18 2HB GLU 18 14.043 6.612 -5.598 160 HG2 GLU 18 1HG GLU 18 12.818 3.919 -5.820 161 HG3 GLU 18 2HG GLU 18 13.248 4.767 -7.304 162 H ILE 19 H ILE 19 11.013 7.776 -4.199 163 HA ILE 19 HA ILE 19 12.411 10.010 -3.539 164 HB ILE 19 HB ILE 19 9.644 9.418 -2.486 165 HG12 ILE 19 1HG1 ILE 19 9.528 10.979 -4.833 166 HG13 ILE 19 2HG1 ILE 19 10.617 9.642 -5.188 167 HG21 ILE 19 1HG2 ILE 19 9.391 11.637 -2.075 168 HG22 ILE 19 2HG2 ILE 19 11.135 11.526 -1.842 169 HG23 ILE 19 3HG2 ILE 19 10.486 12.116 -3.372 170 HD11 ILE 19 3HD1 ILE 19 8.014 9.468 -5.558 171 HD12 ILE 19 1HD1 ILE 19 8.974 8.085 -5.033 172 HD13 ILE 19 2HD1 ILE 19 8.047 9.015 -3.854 173 H LEU 20 H LEU 20 11.163 7.580 -1.308 174 HA LEU 20 HA LEU 20 12.242 9.042 0.975 175 HB2 LEU 20 1HB LEU 20 11.064 6.367 1.360 176 HB3 LEU 20 2HB LEU 20 10.843 7.848 2.289 177 HG LEU 20 HG LEU 20 8.735 7.343 1.381 178 HD11 LEU 20 1HD1 LEU 20 9.675 9.249 -0.707 179 HD12 LEU 20 2HD1 LEU 20 9.783 9.709 0.991 180 HD13 LEU 20 3HD1 LEU 20 8.220 9.293 0.289 181 HD21 LEU 20 3HD2 LEU 20 9.334 7.319 -1.451 182 HD22 LEU 20 1HD2 LEU 20 8.408 6.172 -0.483 183 HD23 LEU 20 2HD2 LEU 20 10.161 6.017 -0.595 184 H GLU 21 H GLU 21 12.376 5.662 -0.170 185 HA GLU 21 HA GLU 21 14.408 4.700 1.351 186 HB2 GLU 21 1HB GLU 21 13.055 3.785 -0.836 187 HB3 GLU 21 2HB GLU 21 14.680 3.960 -1.485 188 HG2 GLU 21 1HG GLU 21 13.970 2.397 0.987 189 HG3 GLU 21 2HG GLU 21 14.220 1.706 -0.615 190 H THR 22 H THR 22 14.659 6.974 -1.271 191 HA THR 22 HA THR 22 17.569 6.820 -1.305 192 HB THR 22 HB THR 22 15.780 8.673 -2.886 193 HG1 THR 22 HG1 THR 22 16.358 7.039 -4.582 194 HG21 THR 22 3HG2 THR 22 18.114 8.112 -4.296 195 HG22 THR 22 1HG2 THR 22 18.648 8.363 -2.634 196 HG23 THR 22 2HG2 THR 22 17.722 9.615 -3.461 197 H LEU 23 H LEU 23 15.056 9.274 -0.712 198 HA LEU 23 HA LEU 23 16.940 11.197 0.270 199 HB2 LEU 23 1HB LEU 23 14.725 11.696 -0.837 200 HB3 LEU 23 2HB LEU 23 13.958 11.205 0.672 201 HG LEU 23 HG LEU 23 15.979 13.428 0.554 202 HD11 LEU 23 1HD1 LEU 23 13.128 13.423 -0.236 203 HD12 LEU 23 2HD1 LEU 23 14.459 14.439 -0.787 204 HD13 LEU 23 3HD1 LEU 23 13.685 14.766 0.763 205 HD21 LEU 23 3HD2 LEU 23 15.731 13.254 2.761 206 HD22 LEU 23 1HD2 LEU 23 14.363 12.153 2.599 207 HD23 LEU 23 2HD2 LEU 23 14.104 13.896 2.532 208 H PHE 24 H PHE 24 14.179 9.629 1.901 209 HA PHE 24 HA PHE 24 14.715 10.297 4.482 210 HB2 PHE 24 1HB PHE 24 12.722 9.071 3.950 211 HB3 PHE 24 2HB PHE 24 13.656 7.682 3.404 212 HD1 PHE 24 HD1 PHE 24 13.599 9.796 6.483 213 HD2 PHE 24 HD2 PHE 24 13.477 5.886 4.806 214 HE1 PHE 24 HE1 PHE 24 13.478 8.833 8.744 215 HE2 PHE 24 HE2 PHE 24 13.355 4.917 7.065 216 HZ PHE 24 HZ PHE 24 13.354 6.391 9.037 217 H ASN 25 H ASN 25 16.333 7.861 2.551 218 HA ASN 25 HA ASN 25 17.855 6.840 4.785 219 HB2 ASN 25 1HB ASN 25 17.113 5.476 2.763 220 HB3 ASN 25 2HB ASN 25 18.373 6.311 1.859 221 HD21 ASN 25 2HD2 ASN 25 18.000 4.641 4.971 222 HD22 ASN 25 1HD2 ASN 25 19.473 3.746 4.858 223 H GLU 26 H GLU 26 18.435 8.882 1.953 224 HA GLU 26 HA GLU 26 21.175 9.201 2.138 225 HB2 GLU 26 1HB GLU 26 20.021 10.091 0.247 226 HB3 GLU 26 2HB GLU 26 19.032 11.133 1.260 227 HG2 GLU 26 1HG GLU 26 20.753 12.631 1.631 228 HG3 GLU 26 2HG GLU 26 22.000 11.454 1.223 229 H THR 27 H THR 27 18.629 11.064 3.766 230 HA THR 27 HA THR 27 20.157 11.497 6.093 231 HB THR 27 HB THR 27 21.399 13.034 4.570 232 HG1 THR 27 HG1 THR 27 21.010 13.400 6.926 233 HG21 THR 27 3HG2 THR 27 19.218 15.021 4.638 234 HG22 THR 27 1HG2 THR 27 18.994 13.675 3.520 235 HG23 THR 27 2HG2 THR 27 20.423 14.701 3.390 236 H GLN 28 H GLN 28 19.117 13.340 7.455 237 HA GLN 28 HA GLN 28 16.208 13.084 7.134 238 HB2 GLN 28 1HB GLN 28 17.984 13.452 9.526 239 HB3 GLN 28 2HB GLN 28 16.279 13.875 9.607 240 HG2 GLN 28 1HG GLN 28 15.882 11.488 8.713 241 HG3 GLN 28 2HG GLN 28 17.541 11.193 9.233 242 HE21 GLN 28 2HE2 GLN 28 16.567 9.635 10.674 243 HE22 GLN 28 1HE2 GLN 28 15.918 10.164 12.185 244 H TYR 29 H TYR 29 17.460 14.972 5.540 245 HA TYR 29 HA TYR 29 16.769 17.520 6.847 246 HB2 TYR 29 1HB TYR 29 18.543 17.082 4.436 247 HB3 TYR 29 2HB TYR 29 18.236 18.618 5.240 248 HD1 TYR 29 HD1 TYR 29 18.442 17.763 8.088 249 HD2 TYR 29 HD2 TYR 29 20.851 16.799 4.716 250 HE1 TYR 29 HE1 TYR 29 20.358 17.369 9.578 251 HE2 TYR 29 HE2 TYR 29 22.774 16.401 6.197 252 HH TYR 29 HH TYR 29 23.405 17.337 8.684 253 HA PRO 30 HA PRO 30 13.458 16.756 3.709 254 HB2 PRO 30 1HB PRO 30 11.451 17.697 5.277 255 HB3 PRO 30 2HB PRO 30 12.018 16.025 5.344 256 HG2 PRO 30 1HG PRO 30 12.683 18.324 7.142 257 HG3 PRO 30 2HG PRO 30 12.313 16.642 7.566 258 HD2 PRO 30 1HD PRO 30 14.845 17.598 7.473 259 HD3 PRO 30 2HD PRO 30 14.444 15.917 7.070 260 H ASP 31 H ASP 31 14.736 18.553 2.696 261 HA ASP 31 HA ASP 31 13.237 21.073 2.933 262 HB2 ASP 31 1HB ASP 31 16.179 20.633 3.057 263 HB3 ASP 31 2HB ASP 31 15.606 22.053 2.187 264 H VAL 32 H VAL 32 13.851 22.528 0.950 265 HA VAL 32 HA VAL 32 12.812 21.382 -1.337 266 HB VAL 32 HB VAL 32 13.860 23.310 -2.576 267 HG11 VAL 32 1HG1 VAL 32 11.719 23.771 -1.863 268 HG12 VAL 32 2HG1 VAL 32 12.139 23.619 -0.156 269 HG13 VAL 32 3HG1 VAL 32 12.634 25.048 -1.063 270 HG21 VAL 32 3HG2 VAL 32 14.868 25.079 -1.085 271 HG22 VAL 32 1HG2 VAL 32 15.010 23.834 0.156 272 HG23 VAL 32 2HG2 VAL 32 15.874 23.659 -1.371 273 H PHE 33 H PHE 33 16.217 21.823 -0.450 274 HA PHE 33 HA PHE 33 17.406 20.959 -2.803 275 HB2 PHE 33 1HB PHE 33 18.254 21.588 -0.191 276 HB3 PHE 33 2HB PHE 33 18.885 19.980 -0.532 277 HD1 PHE 33 HD2 PHE 33 18.862 23.489 -1.647 278 HD2 PHE 33 HD1 PHE 33 20.646 19.650 -2.083 279 HE1 PHE 33 HE2 PHE 33 20.685 24.490 -2.961 280 HE2 PHE 33 HE1 PHE 33 22.473 20.644 -3.397 281 HZ PHE 33 HZ PHE 33 22.494 23.067 -3.839 282 H ALA 34 H ALA 34 15.726 19.155 -0.388 283 HA ALA 34 HA ALA 34 16.796 16.598 -1.241 284 HB1 ALA 34 1HB ALA 34 14.408 16.720 0.505 285 HB2 ALA 34 2HB ALA 34 15.851 15.711 0.620 286 HB3 ALA 34 3HB ALA 34 15.908 17.394 1.143 287 H ARG 35 H ARG 35 13.468 17.863 -0.966 288 HA ARG 35 HA ARG 35 12.250 15.961 -2.577 289 HB2 ARG 35 1HB ARG 35 10.450 17.673 -2.897 290 HB3 ARG 35 2HB ARG 35 10.908 17.407 -1.220 291 HG2 ARG 35 1HG ARG 35 12.367 19.431 -1.386 292 HG3 ARG 35 2HG ARG 35 11.660 19.728 -2.976 293 HD2 ARG 35 1HD ARG 35 9.426 19.388 -1.498 294 HD3 ARG 35 2HD ARG 35 10.507 20.077 -0.287 295 HE ARG 35 HE ARG 35 10.485 21.524 -2.769 296 HH11 ARG 35 1HH1 ARG 35 8.929 21.114 0.318 297 HH12 ARG 35 2HH1 ARG 35 8.267 22.715 0.344 298 HH21 ARG 35 1HH2 ARG 35 9.620 23.635 -2.746 299 HH22 ARG 35 2HH2 ARG 35 8.661 24.148 -1.400 300 H GLU 36 H GLU 36 13.552 19.141 -3.489 301 HA GLU 36 HA GLU 36 12.847 19.078 -6.190 302 HB2 GLU 36 1HB GLU 36 13.680 21.085 -5.005 303 HB3 GLU 36 2HB GLU 36 15.284 20.368 -4.950 304 HG2 GLU 36 1HG GLU 36 15.488 20.467 -7.325 305 HG3 GLU 36 2HG GLU 36 13.803 20.957 -7.500 306 H ARG 37 H ARG 37 15.344 17.421 -4.466 307 HA ARG 37 HA ARG 37 16.940 16.810 -6.777 308 HB2 ARG 37 1HB ARG 37 17.855 16.944 -4.455 309 HB3 ARG 37 2HB ARG 37 16.963 15.479 -4.065 310 HG2 ARG 37 1HG ARG 37 18.279 14.564 -6.175 311 HG3 ARG 37 2HG ARG 37 19.404 15.839 -5.703 312 HD2 ARG 37 1HD ARG 37 19.495 14.904 -3.437 313 HD3 ARG 37 2HD ARG 37 18.389 13.622 -3.928 314 HE ARG 37 HE ARG 37 20.143 12.543 -4.924 315 HH11 ARG 37 1HH1 ARG 37 21.044 15.848 -4.306 316 HH12 ARG 37 2HH1 ARG 37 22.702 15.616 -4.751 317 HH21 ARG 37 1HH2 ARG 37 22.324 12.225 -5.513 318 HH22 ARG 37 2HH2 ARG 37 23.429 13.555 -5.438 319 H VAL 38 H VAL 38 15.085 14.715 -4.559 320 HA VAL 38 HA VAL 38 15.122 12.424 -6.123 321 HB VAL 38 HB VAL 38 12.940 11.850 -4.914 322 HG11 VAL 38 1HG1 VAL 38 15.069 11.052 -4.123 323 HG12 VAL 38 2HG1 VAL 38 15.409 12.603 -3.355 324 HG13 VAL 38 3HG1 VAL 38 14.108 11.581 -2.744 325 HG21 VAL 38 3HG2 VAL 38 12.108 13.258 -3.254 326 HG22 VAL 38 1HG2 VAL 38 13.568 14.247 -3.228 327 HG23 VAL 38 2HG2 VAL 38 12.451 14.359 -4.588 328 H ALA 39 H ALA 39 13.288 15.319 -6.511 329 HA ALA 39 HA ALA 39 11.071 14.428 -7.933 330 HB1 ALA 39 1HB ALA 39 11.670 16.816 -9.141 331 HB2 ALA 39 2HB ALA 39 10.750 16.621 -7.648 332 HB3 ALA 39 3HB ALA 39 12.480 16.957 -7.581 333 H ASP 40 H ASP 40 14.394 14.782 -8.930 334 HA ASP 40 HA ASP 40 13.779 14.452 -11.742 335 HB2 ASP 40 1HB ASP 40 15.719 15.833 -10.747 336 HB3 ASP 40 2HB ASP 40 16.528 14.283 -10.529 337 H GLN 41 H GLN 41 14.308 12.449 -9.055 338 HA GLN 41 HA GLN 41 15.450 10.224 -10.465 339 HB2 GLN 41 1HB GLN 41 14.195 10.459 -7.729 340 HB3 GLN 41 2HB GLN 41 14.911 8.978 -8.350 341 HG2 GLN 41 1HG GLN 41 16.511 11.496 -8.294 342 HG3 GLN 41 2HG GLN 41 16.294 10.551 -6.822 343 HE21 GLN 41 2HE2 GLN 41 18.309 11.062 -9.323 344 HE22 GLN 41 1HE2 GLN 41 19.112 9.533 -9.386 345 H ILE 42 H ILE 42 12.246 10.898 -9.061 346 HA ILE 42 HA ILE 42 11.125 8.612 -10.475 347 HB ILE 42 HB ILE 42 9.189 8.858 -9.176 348 HG12 ILE 42 1HG1 ILE 42 10.125 11.624 -8.384 349 HG13 ILE 42 2HG1 ILE 42 8.903 11.293 -9.605 350 HG21 ILE 42 1HG2 ILE 42 9.969 8.813 -6.935 351 HG22 ILE 42 2HG2 ILE 42 11.275 8.190 -7.941 352 HG23 ILE 42 3HG2 ILE 42 11.348 9.840 -7.325 353 HD11 ILE 42 3HD1 ILE 42 7.773 9.981 -7.624 354 HD12 ILE 42 1HD1 ILE 42 8.743 11.087 -6.652 355 HD13 ILE 42 2HD1 ILE 42 7.576 11.724 -7.812 356 H ARG 43 H ARG 43 11.698 11.832 -11.112 357 HA ARG 43 HA ARG 43 11.107 13.172 -12.859 358 HB2 ARG 43 1HB ARG 43 10.813 10.744 -13.925 359 HB3 ARG 43 2HB ARG 43 9.124 11.231 -13.932 360 HG2 ARG 43 1HG ARG 43 11.414 12.660 -15.263 361 HG3 ARG 43 2HG ARG 43 10.125 11.752 -16.054 362 HD2 ARG 43 1HD ARG 43 8.479 13.347 -15.208 363 HD3 ARG 43 2HD ARG 43 9.761 14.247 -14.398 364 HE ARG 43 HE ARG 43 9.055 14.371 -17.166 365 HH11 ARG 43 1HH1 ARG 43 11.682 14.705 -14.905 366 HH12 ARG 43 2HH1 ARG 43 12.594 15.770 -15.922 367 HH21 ARG 43 1HH2 ARG 43 10.247 15.773 -18.514 368 HH22 ARG 43 2HH2 ARG 43 11.777 16.378 -17.974 369 H LEU 44 H LEU 44 9.976 13.896 -10.645 370 HA LEU 44 HA LEU 44 7.234 14.591 -11.411 371 HB2 LEU 44 1HB LEU 44 7.212 12.692 -9.792 372 HB3 LEU 44 2HB LEU 44 8.012 13.743 -8.626 373 HG LEU 44 HG LEU 44 6.071 15.197 -8.561 374 HD11 LEU 44 1HD1 LEU 44 5.343 14.947 -10.873 375 HD12 LEU 44 2HD1 LEU 44 4.020 14.622 -9.754 376 HD13 LEU 44 3HD1 LEU 44 4.851 13.285 -10.549 377 HD21 LEU 44 3HD2 LEU 44 6.182 13.211 -7.084 378 HD22 LEU 44 1HD2 LEU 44 5.233 12.315 -8.271 379 HD23 LEU 44 2HD2 LEU 44 4.531 13.712 -7.456 380 H GLN 45 H GLN 45 6.384 16.435 -10.102 381 HA GLN 45 HA GLN 45 8.095 18.627 -10.223 382 HB2 GLN 45 1HB GLN 45 5.373 18.111 -9.404 383 HB3 GLN 45 2HB GLN 45 6.131 19.278 -8.329 384 HG2 GLN 45 1HG GLN 45 5.951 19.491 -11.326 385 HG3 GLN 45 2HG GLN 45 4.976 20.380 -10.157 386 HE21 GLN 45 2HE2 GLN 45 6.944 21.206 -12.261 387 HE22 GLN 45 1HE2 GLN 45 8.052 22.244 -11.437 388 H GLU 46 H GLU 46 9.079 19.906 -8.611 389 HA GLU 46 HA GLU 46 10.396 18.432 -6.582 390 HB2 GLU 46 1HB GLU 46 11.322 20.623 -5.897 391 HB3 GLU 46 2HB GLU 46 11.485 20.325 -7.622 392 HG2 GLU 46 1HG GLU 46 9.377 21.689 -7.920 393 HG3 GLU 46 2HG GLU 46 9.563 22.164 -6.233 394 H SER 47 H SER 47 7.771 20.810 -6.518 395 HA SER 47 HA SER 47 7.506 20.649 -3.650 396 HB2 SER 47 1HB SER 47 6.853 22.749 -4.302 397 HB3 SER 47 2HB SER 47 6.206 22.186 -5.843 398 HG SER 47 HG SER 47 4.467 22.720 -4.602 399 H ARG 48 H ARG 48 6.201 19.041 -6.404 400 HA ARG 48 HA ARG 48 3.823 18.076 -5.124 401 HB2 ARG 48 1HB ARG 48 3.958 18.332 -7.565 402 HB3 ARG 48 2HB ARG 48 5.223 17.112 -7.624 403 HG2 ARG 48 1HG ARG 48 3.170 16.098 -8.283 404 HG3 ARG 48 2HG ARG 48 3.603 15.475 -6.689 405 HD2 ARG 48 1HD ARG 48 1.877 16.545 -5.650 406 HD3 ARG 48 2HD ARG 48 1.865 17.877 -6.805 407 HE ARG 48 HE ARG 48 1.029 15.468 -8.040 408 HH11 ARG 48 1HH1 ARG 48 -0.041 17.957 -5.855 409 HH12 ARG 48 2HH1 ARG 48 -1.719 17.753 -6.236 410 HH21 ARG 48 1HH2 ARG 48 -1.176 15.190 -8.551 411 HH22 ARG 48 2HH2 ARG 48 -2.363 16.178 -7.770 412 H ILE 49 H ILE 49 7.006 16.711 -5.887 413 HA ILE 49 HA ILE 49 6.584 14.106 -5.016 414 HB ILE 49 HB ILE 49 8.699 15.340 -6.083 415 HG12 ILE 49 1HG1 ILE 49 8.925 12.883 -4.333 416 HG13 ILE 49 2HG1 ILE 49 8.252 12.895 -5.959 417 HG21 ILE 49 1HG2 ILE 49 10.459 15.751 -4.617 418 HG22 ILE 49 2HG2 ILE 49 9.064 16.431 -3.782 419 HG23 ILE 49 3HG2 ILE 49 9.698 14.858 -3.301 420 HD11 ILE 49 3HD1 ILE 49 10.848 12.371 -5.314 421 HD12 ILE 49 1HD1 ILE 49 10.267 12.859 -6.905 422 HD13 ILE 49 2HD1 ILE 49 10.915 14.066 -5.794 423 H GLN 50 H GLN 50 6.864 17.015 -3.198 424 HA GLN 50 HA GLN 50 7.812 16.084 -0.752 425 HB2 GLN 50 1HB GLN 50 6.806 18.479 -1.728 426 HB3 GLN 50 2HB GLN 50 5.671 18.037 -0.459 427 HG2 GLN 50 1HG GLN 50 8.514 17.770 0.240 428 HG3 GLN 50 2HG GLN 50 7.948 19.414 -0.050 429 HE21 GLN 50 2HE2 GLN 50 8.277 17.014 2.213 430 HE22 GLN 50 1HE2 GLN 50 7.175 17.606 3.405 431 H VAL 51 H VAL 51 4.506 16.146 -2.026 432 HA VAL 51 HA VAL 51 3.250 15.143 0.297 433 HB VAL 51 HB VAL 51 1.306 14.836 -1.009 434 HG11 VAL 51 1HG1 VAL 51 2.312 17.197 -0.803 435 HG12 VAL 51 2HG1 VAL 51 2.662 17.037 -2.525 436 HG13 VAL 51 3HG1 VAL 51 0.997 16.943 -1.950 437 HG21 VAL 51 3HG2 VAL 51 1.708 13.549 -2.833 438 HG22 VAL 51 1HG2 VAL 51 1.716 15.118 -3.638 439 HG23 VAL 51 2HG2 VAL 51 3.239 14.347 -3.195 440 H TRP 52 H TRP 52 4.888 13.605 -2.373 441 HA TRP 52 HA TRP 52 3.935 10.962 -1.693 442 HB2 TRP 52 1HB TRP 52 5.538 12.173 -3.848 443 HB3 TRP 52 2HB TRP 52 6.023 10.540 -3.399 444 HD1 TRP 52 HD1 TRP 52 4.170 8.582 -3.739 445 HE1 TRP 52 HE1 TRP 52 2.177 8.424 -5.359 446 HE3 TRP 52 HE3 TRP 52 3.769 13.517 -5.013 447 HZ2 TRP 52 HZ2 TRP 52 0.638 10.162 -6.966 448 HZ3 TRP 52 HZ3 TRP 52 2.010 14.186 -6.599 449 HH2 TRP 52 HH2 TRP 52 0.479 12.542 -7.554 450 H PHE 53 H PHE 53 6.500 13.024 -0.763 451 HA PHE 53 HA PHE 53 8.515 11.200 -0.123 452 HB2 PHE 53 1HB PHE 53 8.928 13.589 -0.099 453 HB3 PHE 53 2HB PHE 53 7.775 13.810 1.213 454 HD1 PHE 53 HD2 PHE 53 10.723 11.610 0.557 455 HD2 PHE 53 HD1 PHE 53 8.741 14.261 3.234 456 HE1 PHE 53 HE2 PHE 53 12.536 11.308 2.193 457 HE2 PHE 53 HE1 PHE 53 10.551 13.964 4.873 458 HZ PHE 53 HZ PHE 53 12.451 12.485 4.355 459 H LYS 54 H LYS 54 5.448 11.682 1.295 460 HA LYS 54 HA LYS 54 6.171 10.539 3.862 461 HB2 LYS 54 1HB LYS 54 4.148 12.234 3.002 462 HB3 LYS 54 2HB LYS 54 3.318 10.710 3.293 463 HG2 LYS 54 1HG LYS 54 4.829 10.884 5.525 464 HG3 LYS 54 2HG LYS 54 4.541 12.592 5.186 465 HD2 LYS 54 1HD LYS 54 2.171 10.883 4.925 466 HD3 LYS 54 2HD LYS 54 2.839 10.961 6.557 467 HE2 LYS 54 1HE LYS 54 1.211 12.699 6.337 468 HE3 LYS 54 2HE LYS 54 2.806 13.447 6.374 469 HZ1 LYS 54 3HZ LYS 54 1.346 12.848 3.864 470 HZ2 LYS 54 1HZ LYS 54 2.742 13.787 4.044 471 HZ3 LYS 54 2HZ LYS 54 1.265 14.342 4.654 472 H ASN 55 H ASN 55 5.199 9.440 0.795 473 HA ASN 55 HA ASN 55 3.598 7.298 1.100 474 HB2 ASN 55 1HB ASN 55 4.397 7.645 -1.071 475 HB3 ASN 55 2HB ASN 55 6.081 7.636 -0.556 476 HD21 ASN 55 2HD2 ASN 55 6.671 6.097 -2.058 477 HD22 ASN 55 1HD2 ASN 55 6.208 4.438 -1.921 478 H ARG 56 H ARG 56 7.126 6.805 1.209 479 HA ARG 56 HA ARG 56 6.748 4.424 2.819 480 HB2 ARG 56 1HB ARG 56 8.454 4.836 0.860 481 HB3 ARG 56 2HB ARG 56 9.441 5.534 2.138 482 HG2 ARG 56 1HG ARG 56 8.464 3.054 3.082 483 HG3 ARG 56 2HG ARG 56 9.085 2.802 1.449 484 HD2 ARG 56 1HD ARG 56 11.223 3.612 2.031 485 HD3 ARG 56 2HD ARG 56 10.635 4.296 3.546 486 HE ARG 56 HE ARG 56 11.424 1.574 3.061 487 HH11 ARG 56 1HH1 ARG 56 9.518 3.694 5.058 488 HH12 ARG 56 2HH1 ARG 56 9.506 2.618 6.416 489 HH21 ARG 56 1HH2 ARG 56 11.417 0.149 4.842 490 HH22 ARG 56 2HH2 ARG 56 10.587 0.602 6.292 491 H ARG 57 H ARG 57 8.175 7.638 3.145 492 HA ARG 57 HA ARG 57 9.455 7.425 5.566 493 HB2 ARG 57 1HB ARG 57 9.571 9.460 4.284 494 HB3 ARG 57 2HB ARG 57 7.842 9.728 4.465 495 HG2 ARG 57 1HG ARG 57 9.105 11.196 5.923 496 HG3 ARG 57 2HG ARG 57 8.140 10.059 6.866 497 HD2 ARG 57 1HD ARG 57 10.136 8.647 7.160 498 HD3 ARG 57 2HD ARG 57 11.087 9.832 6.264 499 HE ARG 57 HE ARG 57 10.266 9.994 9.001 500 HH11 ARG 57 1HH1 ARG 57 11.093 11.856 6.178 501 HH12 ARG 57 2HH1 ARG 57 11.584 13.250 7.081 502 HH21 ARG 57 1HH2 ARG 57 10.910 11.824 10.201 503 HH22 ARG 57 2HH2 ARG 57 11.480 13.231 9.370 504 H ALA 58 H ALA 58 6.029 7.520 4.922 505 HA ALA 58 HA ALA 58 5.355 7.837 7.732 506 HB1 ALA 58 1HB ALA 58 3.534 7.366 5.375 507 HB2 ALA 58 2HB ALA 58 3.052 7.862 6.998 508 HB3 ALA 58 3HB ALA 58 4.008 8.950 5.991 509 H LYS 59 H LYS 59 5.503 5.332 5.292 510 HA LYS 59 HA LYS 59 3.998 3.343 6.540 511 HB2 LYS 59 1HB LYS 59 5.919 3.511 4.376 512 HB3 LYS 59 2HB LYS 59 6.116 2.018 5.285 513 HG2 LYS 59 1HG LYS 59 4.614 1.630 3.463 514 HG3 LYS 59 2HG LYS 59 3.705 1.560 4.975 515 HD2 LYS 59 1HD LYS 59 3.385 4.153 4.408 516 HD3 LYS 59 2HD LYS 59 3.584 3.534 2.768 517 HE2 LYS 59 1HE LYS 59 1.722 2.098 2.981 518 HE3 LYS 59 2HE LYS 59 1.660 2.314 4.730 519 HZ1 LYS 59 3HZ LYS 59 0.769 4.428 4.518 520 HZ2 LYS 59 1HZ LYS 59 -0.019 3.570 3.291 521 HZ3 LYS 59 2HZ LYS 59 1.266 4.603 2.910 522 H TYR 60 H TYR 60 7.077 4.642 7.346 523 HA TYR 60 HA TYR 60 8.339 2.550 8.637 524 HB2 TYR 60 1HB TYR 60 9.748 4.127 9.511 525 HB3 TYR 60 2HB TYR 60 8.970 5.116 8.279 526 HD1 TYR 60 HD1 TYR 60 6.775 6.352 9.096 527 HD2 TYR 60 HD2 TYR 60 9.861 4.949 11.666 528 HE1 TYR 60 HE1 TYR 60 6.049 7.943 10.826 529 HE2 TYR 60 HE2 TYR 60 9.143 6.535 13.404 530 HH TYR 60 HH TYR 60 7.915 8.531 13.679 531 H ARG 61 H ARG 61 5.548 4.370 9.606 532 HA ARG 61 HA ARG 61 5.624 3.534 12.358 533 HB2 ARG 61 1HB ARG 61 3.580 4.711 12.619 534 HB3 ARG 61 2HB ARG 61 4.553 5.663 11.505 535 HG2 ARG 61 1HG ARG 61 3.214 4.195 9.728 536 HG3 ARG 61 2HG ARG 61 2.038 4.184 11.044 537 HD2 ARG 61 1HD ARG 61 3.317 6.738 10.140 538 HD3 ARG 61 2HD ARG 61 1.928 6.071 9.283 539 HE ARG 61 HE ARG 61 1.139 6.096 11.883 540 HH11 ARG 61 1HH1 ARG 61 2.414 8.495 9.706 541 HH12 ARG 61 2HH1 ARG 61 1.576 9.812 10.458 542 HH21 ARG 61 1HH2 ARG 61 0.030 7.821 12.882 543 HH22 ARG 61 2HH2 ARG 61 0.221 9.428 12.265 544 H LEU 62 H LEU 62 4.131 2.431 9.392 545 HA LEU 62 HA LEU 62 2.291 0.626 10.585 546 HB2 LEU 62 1HB LEU 62 2.399 1.591 8.173 547 HB3 LEU 62 2HB LEU 62 3.454 0.215 7.860 548 HG LEU 62 HG LEU 62 1.120 -0.188 7.183 549 HD11 LEU 62 1HD1 LEU 62 1.736 -1.962 9.517 550 HD12 LEU 62 2HD1 LEU 62 2.738 -1.973 8.067 551 HD13 LEU 62 3HD1 LEU 62 1.026 -2.381 7.958 552 HD21 LEU 62 3HD2 LEU 62 0.483 1.096 9.543 553 HD22 LEU 62 1HD2 LEU 62 0.098 -0.593 9.870 554 HD23 LEU 62 2HD2 LEU 62 -0.636 0.227 8.492 555 H GLN 63 H GLN 63 5.536 0.223 9.206 556 HA GLN 63 HA GLN 63 5.669 -2.574 9.676 557 HB2 GLN 63 1HB GLN 63 8.072 -2.327 9.212 558 HB3 GLN 63 2HB GLN 63 7.086 -1.508 8.008 559 HG2 GLN 63 1HG GLN 63 7.809 0.549 8.606 560 HG3 GLN 63 2HG GLN 63 7.997 0.112 10.304 561 HE21 GLN 63 2HE2 GLN 63 9.975 -0.259 11.039 562 HE22 GLN 63 1HE2 GLN 63 11.387 -0.466 10.065 563 H GLU 64 H GLU 64 6.070 0.172 11.686 564 HA GLU 64 HA GLU 64 7.894 -0.625 13.585 565 HB2 GLU 64 1HB GLU 64 6.431 1.533 13.396 566 HB3 GLU 64 2HB GLU 64 5.324 0.656 14.443 567 HG2 GLU 64 1HG GLU 64 7.327 0.313 15.983 568 HG3 GLU 64 2HG GLU 64 8.122 1.556 15.019 569 H LYS 65 H LYS 65 4.619 -1.745 13.093 570 HA LYS 65 HA LYS 65 4.930 -3.573 15.383 571 HB2 LYS 65 1HB LYS 65 2.401 -3.753 15.244 572 HB3 LYS 65 2HB LYS 65 3.039 -2.213 15.804 573 HG2 LYS 65 1HG LYS 65 2.479 -2.522 12.905 574 HG3 LYS 65 2HG LYS 65 1.114 -2.353 14.011 575 HD2 LYS 65 1HD LYS 65 2.642 -0.367 14.932 576 HD3 LYS 65 2HD LYS 65 3.214 -0.399 13.263 577 HE2 LYS 65 1HE LYS 65 1.445 1.122 13.222 578 HE3 LYS 65 2HE LYS 65 0.732 -0.374 12.619 579 HZ1 LYS 65 3HZ LYS 65 -0.479 -0.672 14.519 580 HZ2 LYS 65 1HZ LYS 65 -0.463 1.019 14.447 581 HZ3 LYS 65 2HZ LYS 65 0.590 0.207 15.492 582 H GLN 66 H GLN 66 4.268 -3.291 11.980 583 HA GLN 66 HA GLN 66 3.223 -5.812 11.430 584 HB2 GLN 66 1HB GLN 66 3.982 -3.626 9.939 585 HB3 GLN 66 2HB GLN 66 5.129 -4.855 9.424 586 HG2 GLN 66 1HG GLN 66 2.290 -5.659 9.552 587 HG3 GLN 66 2HG GLN 66 2.741 -4.514 8.289 588 HE21 GLN 66 2HE2 GLN 66 1.942 -7.430 8.333 589 HE22 GLN 66 1HE2 GLN 66 3.155 -8.213 7.384 590 H LYS 67 H LYS 67 6.634 -4.804 11.128 591 HA LYS 67 HA LYS 67 7.729 -7.288 10.604 592 HB2 LYS 67 1HB LYS 67 8.798 -4.814 11.914 593 HB3 LYS 67 2HB LYS 67 9.789 -6.265 11.857 594 HG2 LYS 67 1HG LYS 67 8.562 -5.008 9.418 595 HG3 LYS 67 2HG LYS 67 10.177 -4.617 10.012 596 HD2 LYS 67 1HD LYS 67 9.402 -7.464 9.513 597 HD3 LYS 67 2HD LYS 67 9.892 -6.429 8.170 598 HE2 LYS 67 1HE LYS 67 11.987 -5.919 9.411 599 HE3 LYS 67 2HE LYS 67 11.501 -7.091 10.634 600 HZ1 LYS 67 3HZ LYS 67 11.754 -7.822 7.779 601 HZ2 LYS 67 1HZ LYS 67 11.700 -8.848 9.123 602 HZ3 LYS 67 2HZ LYS 67 13.068 -7.895 8.841 603 HA PRO 68 HA PRO 68 7.573 -9.676 14.282 604 HB2 PRO 68 1HB PRO 68 9.984 -10.923 14.259 605 HB3 PRO 68 2HB PRO 68 8.680 -11.331 13.137 606 HG2 PRO 68 1HG PRO 68 11.084 -9.601 12.700 607 HG3 PRO 68 2HG PRO 68 10.371 -10.818 11.625 608 HD2 PRO 68 1HD PRO 68 9.947 -8.163 11.304 609 HD3 PRO 68 2HD PRO 68 8.728 -9.383 10.883 Start of MODEL 17 1 H1 GLY 1 H GLY 1 1.065 0.228 0.878 2 HA2 GLY 1 1HA GLY 1 3.634 -0.916 0.025 3 HA3 GLY 1 2HA GLY 1 2.247 -1.047 -1.047 4 HA PRO 2 HA PRO 2 4.548 2.847 -2.085 5 HB2 PRO 2 1HB PRO 2 4.557 2.410 -4.764 6 HB3 PRO 2 2HB PRO 2 5.804 1.777 -3.683 7 HG2 PRO 2 1HG PRO 2 3.409 0.394 -4.828 8 HG3 PRO 2 2HG PRO 2 5.070 -0.202 -4.659 9 HD2 PRO 2 1HD PRO 2 3.095 -0.888 -2.939 10 HD3 PRO 2 2HD PRO 2 4.789 -0.729 -2.433 11 H ARG 3 H ARG 3 2.431 3.700 -1.316 12 HA ARG 3 HA ARG 3 1.110 5.097 -3.407 13 HB2 ARG 3 1HB ARG 3 -1.187 4.173 -2.896 14 HB3 ARG 3 2HB ARG 3 -0.122 3.106 -3.800 15 HG2 ARG 3 1HG ARG 3 0.324 1.790 -1.857 16 HG3 ARG 3 2HG ARG 3 -0.529 2.940 -0.825 17 HD2 ARG 3 1HD ARG 3 -2.626 2.395 -1.831 18 HD3 ARG 3 2HD ARG 3 -1.837 1.432 -3.080 19 HE ARG 3 HE ARG 3 -1.113 0.277 -0.694 20 HH11 ARG 3 1HH1 ARG 3 -4.096 0.979 -2.345 21 HH12 ARG 3 2HH1 ARG 3 -4.945 -0.366 -1.658 22 HH21 ARG 3 1HH2 ARG 3 -2.219 -1.497 0.218 23 HH22 ARG 3 2HH2 ARG 3 -3.877 -1.773 -0.199 24 H LYS 4 H LYS 4 -0.160 6.796 -2.643 25 HA LYS 4 HA LYS 4 -0.811 7.023 0.151 26 HB2 LYS 4 1HB LYS 4 1.646 7.637 -0.021 27 HB3 LYS 4 2HB LYS 4 1.145 9.026 -0.977 28 HG2 LYS 4 1HG LYS 4 1.511 9.646 1.340 29 HG3 LYS 4 2HG LYS 4 -0.186 9.845 0.897 30 HD2 LYS 4 1HD LYS 4 0.393 7.195 1.948 31 HD3 LYS 4 2HD LYS 4 0.782 8.479 3.096 32 HE2 LYS 4 1HE LYS 4 -1.804 8.690 1.669 33 HE3 LYS 4 2HE LYS 4 -1.661 7.408 2.871 34 HZ1 LYS 4 3HZ LYS 4 -1.320 10.323 3.291 35 HZ2 LYS 4 1HZ LYS 4 -0.873 9.166 4.443 36 HZ3 LYS 4 2HZ LYS 4 -2.491 9.309 3.972 37 H ASN 5 H ASN 5 -0.399 8.742 -2.925 38 HA ASN 5 HA ASN 5 -3.108 9.790 -2.651 39 HB2 ASN 5 1HB ASN 5 -2.461 12.068 -3.157 40 HB3 ASN 5 2HB ASN 5 -1.584 11.529 -1.728 41 HD21 ASN 5 2HD2 ASN 5 -1.139 13.487 -4.072 42 HD22 ASN 5 1HD2 ASN 5 0.498 13.177 -4.529 43 H ARG 6 H ARG 6 -3.057 11.500 -4.852 44 HA ARG 6 HA ARG 6 -3.709 9.958 -6.969 45 HB2 ARG 6 1HB ARG 6 -2.950 11.910 -8.432 46 HB3 ARG 6 2HB ARG 6 -4.118 12.267 -7.167 47 HG2 ARG 6 1HG ARG 6 -2.115 12.945 -5.744 48 HG3 ARG 6 2HG ARG 6 -1.193 12.919 -7.249 49 HD2 ARG 6 1HD ARG 6 -2.225 14.766 -8.072 50 HD3 ARG 6 2HD ARG 6 -3.756 14.396 -7.278 51 HE ARG 6 HE ARG 6 -1.659 15.171 -5.467 52 HH11 ARG 6 1HH1 ARG 6 -4.224 16.291 -7.538 53 HH12 ARG 6 2HH1 ARG 6 -4.433 17.787 -6.689 54 HH21 ARG 6 1HH2 ARG 6 -1.925 17.137 -4.341 55 HH22 ARG 6 2HH2 ARG 6 -3.124 18.267 -4.871 56 H ARG 7 H ARG 7 -2.729 8.648 -8.375 57 HA ARG 7 HA ARG 7 -0.113 7.779 -8.072 58 HB2 ARG 7 1HB ARG 7 -1.790 7.662 -10.585 59 HB3 ARG 7 2HB ARG 7 -0.389 6.660 -10.231 60 HG2 ARG 7 1HG ARG 7 -1.543 5.567 -8.441 61 HG3 ARG 7 2HG ARG 7 -2.908 6.676 -8.586 62 HD2 ARG 7 1HD ARG 7 -3.513 5.785 -10.704 63 HD3 ARG 7 2HD ARG 7 -2.009 4.873 -10.821 64 HE ARG 7 HE ARG 7 -3.308 3.978 -8.546 65 HH11 ARG 7 1HH1 ARG 7 -3.891 4.069 -11.976 66 HH12 ARG 7 2HH1 ARG 7 -4.854 2.629 -11.983 67 HH21 ARG 7 1HH2 ARG 7 -4.574 2.080 -8.541 68 HH22 ARG 7 2HH2 ARG 7 -5.243 1.499 -10.028 69 H GLU 8 H GLU 8 1.517 7.799 -9.975 70 HA GLU 8 HA GLU 8 1.660 10.302 -11.418 71 HB2 GLU 8 1HB GLU 8 2.589 11.099 -9.384 72 HB3 GLU 8 2HB GLU 8 3.548 9.642 -9.165 73 HG2 GLU 8 1HG GLU 8 4.860 11.622 -9.864 74 HG3 GLU 8 2HG GLU 8 5.006 10.244 -10.954 75 H ARG 9 H ARG 9 4.175 8.046 -10.315 76 HA ARG 9 HA ARG 9 5.290 7.780 -12.907 77 HB2 ARG 9 1HB ARG 9 5.953 6.986 -10.249 78 HB3 ARG 9 2HB ARG 9 6.051 5.568 -11.284 79 HG2 ARG 9 1HG ARG 9 7.325 8.073 -12.236 80 HG3 ARG 9 2HG ARG 9 8.106 7.182 -10.928 81 HD2 ARG 9 1HD ARG 9 8.455 5.302 -12.249 82 HD3 ARG 9 2HD ARG 9 7.210 5.767 -13.408 83 HE ARG 9 HE ARG 9 9.964 6.523 -13.449 84 HH11 ARG 9 1HH1 ARG 9 6.751 7.548 -14.313 85 HH12 ARG 9 2HH1 ARG 9 7.286 8.588 -15.591 86 HH21 ARG 9 1HH2 ARG 9 10.680 7.889 -15.130 87 HH22 ARG 9 2HH2 ARG 9 9.521 8.780 -16.056 88 H THR 10 H THR 10 3.437 5.504 -10.886 89 HA THR 10 HA THR 10 1.927 4.473 -13.019 90 HB THR 10 HB THR 10 4.202 3.527 -13.610 91 HG1 THR 10 HG1 THR 10 3.159 1.264 -13.683 92 HG21 THR 10 3HG2 THR 10 5.268 1.985 -12.295 93 HG22 THR 10 1HG2 THR 10 3.777 1.455 -11.516 94 HG23 THR 10 2HG2 THR 10 4.530 2.977 -11.037 95 H THR 11 H THR 11 1.210 2.033 -12.292 96 HA THR 11 HA THR 11 -0.429 2.336 -10.099 97 HB THR 11 HB THR 11 -0.650 -0.132 -10.066 98 HG1 THR 11 HG1 THR 11 1.486 0.013 -11.948 99 HG21 THR 11 3HG2 THR 11 -2.055 0.125 -11.774 100 HG22 THR 11 1HG2 THR 11 -0.713 0.119 -12.917 101 HG23 THR 11 2HG2 THR 11 -1.242 1.634 -12.186 102 H TYR 12 H TYR 12 2.653 0.541 -10.193 103 HA TYR 12 HA TYR 12 3.339 1.398 -7.544 104 HB2 TYR 12 1HB TYR 12 3.525 -1.036 -6.724 105 HB3 TYR 12 2HB TYR 12 1.929 -0.295 -6.736 106 HD1 TYR 12 HD2 TYR 12 0.285 -0.928 -8.477 107 HD2 TYR 12 HD1 TYR 12 4.034 -2.908 -8.121 108 HE1 TYR 12 HE2 TYR 12 -0.569 -2.780 -9.852 109 HE2 TYR 12 HE1 TYR 12 3.191 -4.765 -9.496 110 HH TYR 12 HH TYR 12 0.128 -5.414 -10.030 111 H SER 13 H SER 13 5.389 1.915 -7.930 112 HA SER 13 HA SER 13 7.148 -0.137 -9.075 113 HB2 SER 13 1HB SER 13 6.578 1.508 -10.852 114 HB3 SER 13 2HB SER 13 7.244 2.791 -9.841 115 HG SER 13 HG SER 13 8.600 1.567 -11.550 116 H ARG 14 H ARG 14 9.536 0.675 -8.824 117 HA ARG 14 HA ARG 14 9.955 1.033 -6.018 118 HB2 ARG 14 1HB ARG 14 12.375 1.000 -6.646 119 HB3 ARG 14 2HB ARG 14 11.466 -0.392 -7.218 120 HG2 ARG 14 1HG ARG 14 11.546 1.789 -9.145 121 HG3 ARG 14 2HG ARG 14 13.142 1.165 -8.724 122 HD2 ARG 14 1HD ARG 14 11.789 -1.145 -9.042 123 HD3 ARG 14 2HD ARG 14 10.921 -0.117 -10.181 124 HE ARG 14 HE ARG 14 13.683 0.197 -10.581 125 HH11 ARG 14 1HH1 ARG 14 11.164 -2.170 -10.999 126 HH12 ARG 14 2HH1 ARG 14 11.939 -2.949 -12.339 127 HH21 ARG 14 1HH2 ARG 14 14.713 -0.820 -12.344 128 HH22 ARG 14 2HH2 ARG 14 13.958 -2.181 -13.102 129 H GLN 15 H GLN 15 9.780 3.129 -8.741 130 HA GLN 15 HA GLN 15 11.393 5.254 -7.939 131 HB2 GLN 15 1HB GLN 15 8.920 5.061 -9.623 132 HB3 GLN 15 2HB GLN 15 9.600 6.637 -9.239 133 HG2 GLN 15 1HG GLN 15 10.336 5.734 -11.418 134 HG3 GLN 15 2HG GLN 15 11.662 6.084 -10.310 135 HE21 GLN 15 2HE2 GLN 15 13.061 4.515 -9.836 136 HE22 GLN 15 1HE2 GLN 15 12.902 2.862 -10.310 137 H GLN 16 H GLN 16 7.911 4.772 -7.347 138 HA GLN 16 HA GLN 16 7.464 7.050 -5.821 139 HB2 GLN 16 1HB GLN 16 6.156 4.338 -5.803 140 HB3 GLN 16 2HB GLN 16 5.598 5.646 -4.769 141 HG2 GLN 16 1HG GLN 16 4.219 5.985 -6.525 142 HG3 GLN 16 2HG GLN 16 5.586 6.953 -7.074 143 HE21 GLN 16 2HE2 GLN 16 3.544 4.344 -7.746 144 HE22 GLN 16 1HE2 GLN 16 4.342 3.767 -9.165 145 H LEU 17 H LEU 17 8.934 4.010 -4.950 146 HA LEU 17 HA LEU 17 8.920 4.658 -2.114 147 HB2 LEU 17 1HB LEU 17 10.076 2.315 -3.618 148 HB3 LEU 17 2HB LEU 17 10.079 2.490 -1.865 149 HG LEU 17 HG LEU 17 7.417 2.685 -3.063 150 HD11 LEU 17 1HD1 LEU 17 8.375 1.063 -4.607 151 HD12 LEU 17 2HD1 LEU 17 7.211 0.297 -3.527 152 HD13 LEU 17 3HD1 LEU 17 8.940 0.090 -3.249 153 HD21 LEU 17 3HD2 LEU 17 8.763 1.510 -0.704 154 HD22 LEU 17 1HD2 LEU 17 7.279 0.728 -1.251 155 HD23 LEU 17 2HD2 LEU 17 7.266 2.437 -0.815 156 H GLU 18 H GLU 18 10.848 5.269 -4.805 157 HA GLU 18 HA GLU 18 13.420 5.182 -3.580 158 HB2 GLU 18 1HB GLU 18 12.348 6.453 -6.086 159 HB3 GLU 18 2HB GLU 18 14.007 6.716 -5.567 160 HG2 GLU 18 1HG GLU 18 13.227 3.906 -5.597 161 HG3 GLU 18 2HG GLU 18 13.140 4.686 -7.175 162 H ILE 19 H ILE 19 11.027 7.728 -4.122 163 HA ILE 19 HA ILE 19 12.371 9.992 -3.445 164 HB ILE 19 HB ILE 19 9.623 9.337 -2.383 165 HG12 ILE 19 1HG1 ILE 19 9.445 10.866 -4.743 166 HG13 ILE 19 2HG1 ILE 19 10.574 9.563 -5.095 167 HG21 ILE 19 1HG2 ILE 19 10.380 12.043 -3.307 168 HG22 ILE 19 2HG2 ILE 19 9.327 11.549 -1.983 169 HG23 ILE 19 3HG2 ILE 19 11.078 11.491 -1.785 170 HD11 ILE 19 3HD1 ILE 19 8.008 8.901 -3.752 171 HD12 ILE 19 1HD1 ILE 19 8.001 9.275 -5.475 172 HD13 ILE 19 2HD1 ILE 19 8.984 7.943 -4.865 173 H LEU 20 H LEU 20 11.181 7.514 -1.235 174 HA LEU 20 HA LEU 20 12.231 8.984 1.059 175 HB2 LEU 20 1HB LEU 20 11.095 6.289 1.430 176 HB3 LEU 20 2HB LEU 20 10.850 7.762 2.366 177 HG LEU 20 HG LEU 20 8.751 7.220 1.451 178 HD11 LEU 20 1HD1 LEU 20 9.742 9.610 1.098 179 HD12 LEU 20 2HD1 LEU 20 8.200 9.169 0.368 180 HD13 LEU 20 3HD1 LEU 20 9.668 9.172 -0.608 181 HD21 LEU 20 3HD2 LEU 20 8.456 6.054 -0.420 182 HD22 LEU 20 1HD2 LEU 20 10.213 5.957 -0.546 183 HD23 LEU 20 2HD2 LEU 20 9.339 7.242 -1.379 184 H GLU 21 H GLU 21 12.414 5.611 -0.101 185 HA GLU 21 HA GLU 21 14.463 4.672 1.413 186 HB2 GLU 21 1HB GLU 21 13.118 3.733 -0.759 187 HB3 GLU 21 2HB GLU 21 14.724 3.962 -1.437 188 HG2 GLU 21 1HG GLU 21 15.471 2.676 0.724 189 HG3 GLU 21 2HG GLU 21 13.808 2.094 0.686 190 H THR 22 H THR 22 14.676 6.969 -1.192 191 HA THR 22 HA THR 22 17.588 6.855 -1.234 192 HB THR 22 HB THR 22 15.819 8.747 -2.785 193 HG1 THR 22 HG1 THR 22 16.813 6.200 -3.598 194 HG21 THR 22 3HG2 THR 22 17.832 8.554 -4.369 195 HG22 THR 22 1HG2 THR 22 18.687 7.875 -2.985 196 HG23 THR 22 2HG2 THR 22 18.033 9.510 -2.901 197 H LEU 23 H LEU 23 15.073 9.328 -0.703 198 HA LEU 23 HA LEU 23 16.927 11.241 0.324 199 HB2 LEU 23 1HB LEU 23 14.719 11.733 -0.792 200 HB3 LEU 23 2HB LEU 23 13.941 11.223 0.704 201 HG LEU 23 HG LEU 23 15.952 13.455 0.647 202 HD11 LEU 23 1HD1 LEU 23 13.730 14.847 0.758 203 HD12 LEU 23 2HD1 LEU 23 13.082 13.477 -0.143 204 HD13 LEU 23 3HD1 LEU 23 14.440 14.395 -0.793 205 HD21 LEU 23 3HD2 LEU 23 14.009 13.904 2.566 206 HD22 LEU 23 1HD2 LEU 23 15.634 13.274 2.843 207 HD23 LEU 23 2HD2 LEU 23 14.281 12.162 2.633 208 H PHE 24 H PHE 24 14.165 9.659 1.940 209 HA PHE 24 HA PHE 24 14.680 10.320 4.524 210 HB2 PHE 24 1HB PHE 24 12.707 9.061 3.941 211 HB3 PHE 24 2HB PHE 24 13.679 7.675 3.458 212 HD1 PHE 24 HD1 PHE 24 13.318 9.865 6.463 213 HD2 PHE 24 HD2 PHE 24 13.675 5.915 4.917 214 HE1 PHE 24 HE1 PHE 24 13.150 8.960 8.745 215 HE2 PHE 24 HE2 PHE 24 13.507 5.004 7.196 216 HZ PHE 24 HZ PHE 24 13.243 6.527 9.114 217 H ASN 25 H ASN 25 16.298 7.847 2.621 218 HA ASN 25 HA ASN 25 17.824 6.849 4.851 219 HB2 ASN 25 1HB ASN 25 17.125 5.517 2.784 220 HB3 ASN 25 2HB ASN 25 18.412 6.367 1.932 221 HD21 ASN 25 2HD2 ASN 25 20.473 5.725 2.186 222 HD22 ASN 25 1HD2 ASN 25 20.970 4.413 3.195 223 H GLU 26 H GLU 26 18.453 8.893 2.023 224 HA GLU 26 HA GLU 26 21.180 9.254 2.300 225 HB2 GLU 26 1HB GLU 26 20.003 10.089 0.366 226 HB3 GLU 26 2HB GLU 26 19.075 11.205 1.358 227 HG2 GLU 26 1HG GLU 26 20.780 12.421 0.206 228 HG3 GLU 26 2HG GLU 26 21.168 12.385 1.925 229 H THR 27 H THR 27 18.541 11.026 3.865 230 HA THR 27 HA THR 27 20.008 11.545 6.209 231 HB THR 27 HB THR 27 19.732 14.214 5.574 232 HG1 THR 27 HG1 THR 27 19.559 13.301 3.302 233 HG21 THR 27 3HG2 THR 27 21.668 12.603 6.557 234 HG22 THR 27 1HG2 THR 27 21.920 14.299 6.144 235 HG23 THR 27 2HG2 THR 27 22.374 13.036 5.000 236 H GLN 28 H GLN 28 18.875 13.488 7.453 237 HA GLN 28 HA GLN 28 15.981 13.098 7.085 238 HB2 GLN 28 1HB GLN 28 15.751 13.536 9.484 239 HB3 GLN 28 2HB GLN 28 16.831 12.181 9.185 240 HG2 GLN 28 1HG GLN 28 17.960 14.918 9.537 241 HG3 GLN 28 2HG GLN 28 17.446 13.992 10.946 242 HE21 GLN 28 2HE2 GLN 28 18.369 11.811 11.159 243 HE22 GLN 28 1HE2 GLN 28 20.002 11.559 10.653 244 H TYR 29 H TYR 29 17.379 15.062 5.615 245 HA TYR 29 HA TYR 29 16.483 17.555 6.903 246 HB2 TYR 29 1HB TYR 29 18.527 17.182 4.703 247 HB3 TYR 29 2HB TYR 29 18.055 18.722 5.412 248 HD1 TYR 29 HD1 TYR 29 18.166 18.567 8.163 249 HD2 TYR 29 HD2 TYR 29 20.577 16.412 5.398 250 HE1 TYR 29 HE1 TYR 29 19.902 18.311 9.886 251 HE2 TYR 29 HE2 TYR 29 22.320 16.149 7.114 252 HH TYR 29 HH TYR 29 23.046 16.977 9.141 253 HA PRO 30 HA PRO 30 13.501 16.804 3.458 254 HB2 PRO 30 1HB PRO 30 11.350 17.725 4.833 255 HB3 PRO 30 2HB PRO 30 11.921 16.057 4.948 256 HG2 PRO 30 1HG PRO 30 12.397 18.354 6.807 257 HG3 PRO 30 2HG PRO 30 12.002 16.668 7.190 258 HD2 PRO 30 1HD PRO 30 14.524 17.643 7.337 259 HD3 PRO 30 2HD PRO 30 14.175 15.960 6.894 260 H ASP 31 H ASP 31 14.848 18.610 2.565 261 HA ASP 31 HA ASP 31 13.388 21.161 2.776 262 HB2 ASP 31 1HB ASP 31 15.785 22.030 1.957 263 HB3 ASP 31 2HB ASP 31 15.369 21.868 3.661 264 H VAL 32 H VAL 32 13.978 22.595 0.783 265 HA VAL 32 HA VAL 32 12.848 21.480 -1.478 266 HB VAL 32 HB VAL 32 14.131 23.399 -2.699 267 HG11 VAL 32 1HG1 VAL 32 12.007 23.683 -0.604 268 HG12 VAL 32 2HG1 VAL 32 12.553 25.073 -1.544 269 HG13 VAL 32 3HG1 VAL 32 11.844 23.680 -2.360 270 HG21 VAL 32 3HG2 VAL 32 15.550 23.462 -0.377 271 HG22 VAL 32 1HG2 VAL 32 15.417 24.805 -1.513 272 HG23 VAL 32 2HG2 VAL 32 14.364 24.737 -0.100 273 H PHE 33 H PHE 33 16.273 21.794 -0.643 274 HA PHE 33 HA PHE 33 17.370 20.915 -3.054 275 HB2 PHE 33 1HB PHE 33 18.318 21.556 -0.470 276 HB3 PHE 33 2HB PHE 33 18.936 19.951 -0.846 277 HD1 PHE 33 HD1 PHE 33 20.452 19.607 -2.716 278 HD2 PHE 33 HD2 PHE 33 19.037 23.490 -1.697 279 HE1 PHE 33 HE1 PHE 33 22.219 20.611 -4.103 280 HE2 PHE 33 HE2 PHE 33 20.802 24.500 -3.083 281 HZ PHE 33 HZ PHE 33 22.395 23.060 -4.289 282 H ALA 34 H ALA 34 15.744 19.176 -0.560 283 HA ALA 34 HA ALA 34 16.755 16.590 -1.407 284 HB1 ALA 34 1HB ALA 34 14.439 16.756 0.424 285 HB2 ALA 34 2HB ALA 34 15.886 15.752 0.510 286 HB3 ALA 34 3HB ALA 34 15.958 17.445 0.996 287 H ARG 35 H ARG 35 13.470 17.948 -1.054 288 HA ARG 35 HA ARG 35 12.146 16.028 -2.559 289 HB2 ARG 35 1HB ARG 35 10.379 17.773 -2.868 290 HB3 ARG 35 2HB ARG 35 10.895 17.556 -1.201 291 HG2 ARG 35 1HG ARG 35 12.329 19.542 -1.407 292 HG3 ARG 35 2HG ARG 35 11.745 19.770 -3.056 293 HD2 ARG 35 1HD ARG 35 9.874 20.751 -2.345 294 HD3 ARG 35 2HD ARG 35 9.562 19.462 -1.183 295 HE ARG 35 HE ARG 35 10.820 22.006 -0.667 296 HH11 ARG 35 1HH1 ARG 35 10.348 18.737 0.432 297 HH12 ARG 35 2HH1 ARG 35 10.707 19.103 2.087 298 HH21 ARG 35 1HH2 ARG 35 11.294 22.501 1.508 299 HH22 ARG 35 2HH2 ARG 35 11.244 21.244 2.698 300 H GLU 36 H GLU 36 13.576 19.101 -3.606 301 HA GLU 36 HA GLU 36 12.758 18.956 -6.294 302 HB2 GLU 36 1HB GLU 36 13.598 21.016 -5.231 303 HB3 GLU 36 2HB GLU 36 15.203 20.306 -5.137 304 HG2 GLU 36 1HG GLU 36 15.302 20.195 -7.573 305 HG3 GLU 36 2HG GLU 36 13.691 20.905 -7.670 306 H ARG 37 H ARG 37 15.324 17.406 -4.557 307 HA ARG 37 HA ARG 37 16.883 16.706 -6.856 308 HB2 ARG 37 1HB ARG 37 17.894 16.879 -4.628 309 HB3 ARG 37 2HB ARG 37 16.888 15.552 -4.062 310 HG2 ARG 37 1HG ARG 37 18.082 14.379 -6.174 311 HG3 ARG 37 2HG ARG 37 19.341 15.512 -5.680 312 HD2 ARG 37 1HD ARG 37 19.001 14.621 -3.324 313 HD3 ARG 37 2HD ARG 37 18.058 13.327 -4.062 314 HE ARG 37 HE ARG 37 20.016 12.344 -4.682 315 HH11 ARG 37 1HH1 ARG 37 20.611 15.727 -4.118 316 HH12 ARG 37 2HH1 ARG 37 22.322 15.599 -4.355 317 HH21 ARG 37 1HH2 ARG 37 22.268 12.163 -4.996 318 HH22 ARG 37 2HH2 ARG 37 23.264 13.572 -4.855 319 H VAL 38 H VAL 38 15.010 14.681 -4.589 320 HA VAL 38 HA VAL 38 15.035 12.356 -6.115 321 HB VAL 38 HB VAL 38 12.892 11.785 -4.855 322 HG11 VAL 38 1HG1 VAL 38 14.076 11.542 -2.716 323 HG12 VAL 38 2HG1 VAL 38 15.087 11.082 -4.087 324 HG13 VAL 38 3HG1 VAL 38 15.328 12.640 -3.295 325 HG21 VAL 38 3HG2 VAL 38 13.467 14.166 -3.153 326 HG22 VAL 38 1HG2 VAL 38 12.454 14.353 -4.585 327 HG23 VAL 38 2HG2 VAL 38 11.982 13.228 -3.312 328 H ALA 39 H ALA 39 13.196 15.247 -6.510 329 HA ALA 39 HA ALA 39 10.953 14.340 -7.879 330 HB1 ALA 39 1HB ALA 39 10.691 16.546 -7.536 331 HB2 ALA 39 2HB ALA 39 12.418 16.880 -7.676 332 HB3 ALA 39 3HB ALA 39 11.436 16.690 -9.129 333 H ASP 40 H ASP 40 14.257 14.684 -8.946 334 HA ASP 40 HA ASP 40 13.586 14.303 -11.738 335 HB2 ASP 40 1HB ASP 40 15.547 15.702 -10.786 336 HB3 ASP 40 2HB ASP 40 16.364 14.153 -10.599 337 H GLN 41 H GLN 41 14.185 12.351 -9.028 338 HA GLN 41 HA GLN 41 15.316 10.108 -10.412 339 HB2 GLN 41 1HB GLN 41 14.045 10.329 -7.679 340 HB3 GLN 41 2HB GLN 41 14.858 8.893 -8.287 341 HG2 GLN 41 1HG GLN 41 16.145 11.587 -7.904 342 HG3 GLN 41 2HG GLN 41 16.276 10.222 -6.796 343 HE21 GLN 41 2HE2 GLN 41 17.299 8.282 -7.591 344 HE22 GLN 41 1HE2 GLN 41 18.525 8.400 -8.802 345 H ILE 42 H ILE 42 12.117 10.796 -9.006 346 HA ILE 42 HA ILE 42 11.001 8.485 -10.392 347 HB ILE 42 HB ILE 42 9.085 8.706 -9.063 348 HG12 ILE 42 1HG1 ILE 42 9.985 11.479 -8.258 349 HG13 ILE 42 2HG1 ILE 42 8.787 11.150 -9.505 350 HG21 ILE 42 1HG2 ILE 42 11.218 8.088 -7.860 351 HG22 ILE 42 2HG2 ILE 42 11.236 9.735 -7.231 352 HG23 ILE 42 3HG2 ILE 42 9.895 8.657 -6.841 353 HD11 ILE 42 3HD1 ILE 42 8.582 10.865 -6.554 354 HD12 ILE 42 1HD1 ILE 42 7.452 11.580 -7.702 355 HD13 ILE 42 2HD1 ILE 42 7.603 9.827 -7.589 356 H ARG 43 H ARG 43 11.550 11.696 -11.054 357 HA ARG 43 HA ARG 43 10.915 13.038 -12.783 358 HB2 ARG 43 1HB ARG 43 10.648 10.614 -13.854 359 HB3 ARG 43 2HB ARG 43 8.948 11.063 -13.831 360 HG2 ARG 43 1HG ARG 43 11.183 12.552 -15.191 361 HG3 ARG 43 2HG ARG 43 9.910 11.608 -15.968 362 HD2 ARG 43 1HD ARG 43 8.230 13.155 -15.098 363 HD3 ARG 43 2HD ARG 43 9.496 14.090 -14.305 364 HE ARG 43 HE ARG 43 10.228 14.044 -16.933 365 HH11 ARG 43 1HH1 ARG 43 7.378 15.019 -15.188 366 HH12 ARG 43 2HH1 ARG 43 6.940 16.246 -16.331 367 HH21 ARG 43 1HH2 ARG 43 9.662 15.656 -18.444 368 HH22 ARG 43 2HH2 ARG 43 8.239 16.606 -18.183 369 H LEU 44 H LEU 44 9.810 13.789 -10.587 370 HA LEU 44 HA LEU 44 7.053 14.447 -11.317 371 HB2 LEU 44 1HB LEU 44 6.982 12.550 -9.740 372 HB3 LEU 44 2HB LEU 44 7.878 13.517 -8.570 373 HG LEU 44 HG LEU 44 6.007 15.066 -8.393 374 HD11 LEU 44 1HD1 LEU 44 5.201 13.819 -10.831 375 HD12 LEU 44 2HD1 LEU 44 4.536 15.246 -10.038 376 HD13 LEU 44 3HD1 LEU 44 3.918 13.644 -9.634 377 HD21 LEU 44 3HD2 LEU 44 5.376 12.148 -8.020 378 HD22 LEU 44 1HD2 LEU 44 4.320 13.440 -7.449 379 HD23 LEU 44 2HD2 LEU 44 5.962 13.301 -6.820 380 H GLN 45 H GLN 45 6.207 16.307 -10.091 381 HA GLN 45 HA GLN 45 7.875 18.503 -10.179 382 HB2 GLN 45 1HB GLN 45 5.191 17.935 -9.250 383 HB3 GLN 45 2HB GLN 45 5.974 19.135 -8.231 384 HG2 GLN 45 1HG GLN 45 6.187 20.656 -9.954 385 HG3 GLN 45 2HG GLN 45 6.052 19.417 -11.200 386 HE21 GLN 45 2HE2 GLN 45 4.568 21.446 -11.726 387 HE22 GLN 45 1HE2 GLN 45 2.904 21.201 -11.333 388 H GLU 46 H GLU 46 8.878 19.791 -8.581 389 HA GLU 46 HA GLU 46 10.257 18.303 -6.589 390 HB2 GLU 46 1HB GLU 46 11.253 20.471 -5.965 391 HB3 GLU 46 2HB GLU 46 11.327 20.181 -7.698 392 HG2 GLU 46 1HG GLU 46 9.074 21.541 -7.680 393 HG3 GLU 46 2HG GLU 46 9.735 22.168 -6.171 394 H SER 47 H SER 47 7.624 20.660 -6.504 395 HA SER 47 HA SER 47 7.448 20.555 -3.619 396 HB2 SER 47 1HB SER 47 6.960 22.661 -4.750 397 HB3 SER 47 2HB SER 47 5.672 21.892 -5.676 398 HG SER 47 HG SER 47 5.506 23.018 -3.291 399 H ARG 48 H ARG 48 6.100 18.898 -6.307 400 HA ARG 48 HA ARG 48 3.731 17.984 -4.953 401 HB2 ARG 48 1HB ARG 48 3.808 18.246 -7.407 402 HB3 ARG 48 2HB ARG 48 5.023 16.979 -7.494 403 HG2 ARG 48 1HG ARG 48 2.976 15.972 -8.072 404 HG3 ARG 48 2HG ARG 48 3.331 15.447 -6.425 405 HD2 ARG 48 1HD ARG 48 1.087 16.019 -6.310 406 HD3 ARG 48 2HD ARG 48 1.892 17.472 -5.718 407 HE ARG 48 HE ARG 48 1.345 17.475 -8.550 408 HH11 ARG 48 1HH1 ARG 48 0.156 18.266 -5.375 409 HH12 ARG 48 2HH1 ARG 48 -0.963 19.457 -5.948 410 HH21 ARG 48 1HH2 ARG 48 -0.124 19.042 -9.317 411 HH22 ARG 48 2HH2 ARG 48 -1.122 19.897 -8.191 412 H ILE 49 H ILE 49 6.851 16.558 -5.870 413 HA ILE 49 HA ILE 49 6.469 13.965 -5.014 414 HB ILE 49 HB ILE 49 8.571 15.213 -6.060 415 HG12 ILE 49 1HG1 ILE 49 8.815 12.765 -4.299 416 HG13 ILE 49 2HG1 ILE 49 8.179 12.768 -5.940 417 HG21 ILE 49 1HG2 ILE 49 9.540 14.781 -3.254 418 HG22 ILE 49 2HG2 ILE 49 10.339 15.621 -4.582 419 HG23 ILE 49 3HG2 ILE 49 8.936 16.346 -3.797 420 HD11 ILE 49 3HD1 ILE 49 10.832 13.967 -5.675 421 HD12 ILE 49 1HD1 ILE 49 10.754 12.254 -5.263 422 HD13 ILE 49 2HD1 ILE 49 10.217 12.805 -6.851 423 H GLN 50 H GLN 50 6.807 16.840 -3.123 424 HA GLN 50 HA GLN 50 7.718 15.831 -0.700 425 HB2 GLN 50 1HB GLN 50 6.640 18.258 -1.635 426 HB3 GLN 50 2HB GLN 50 5.655 17.792 -0.254 427 HG2 GLN 50 1HG GLN 50 7.598 17.668 1.155 428 HG3 GLN 50 2HG GLN 50 8.658 17.970 -0.221 429 HE21 GLN 50 2HE2 GLN 50 7.754 19.387 2.415 430 HE22 GLN 50 1HE2 GLN 50 7.576 21.029 1.908 431 H VAL 51 H VAL 51 4.443 15.908 -2.029 432 HA VAL 51 HA VAL 51 3.110 14.947 0.261 433 HB VAL 51 HB VAL 51 1.221 14.589 -1.109 434 HG11 VAL 51 1HG1 VAL 51 2.475 16.969 -1.068 435 HG12 VAL 51 2HG1 VAL 51 2.383 16.700 -2.810 436 HG13 VAL 51 3HG1 VAL 51 0.911 16.704 -1.837 437 HG21 VAL 51 3HG2 VAL 51 3.238 14.096 -3.232 438 HG22 VAL 51 1HG2 VAL 51 1.754 13.222 -2.854 439 HG23 VAL 51 2HG2 VAL 51 1.677 14.758 -3.717 440 H TRP 52 H TRP 52 4.802 13.336 -2.347 441 HA TRP 52 HA TRP 52 3.876 10.710 -1.564 442 HB2 TRP 52 1HB TRP 52 5.617 11.809 -3.721 443 HB3 TRP 52 2HB TRP 52 5.827 10.118 -3.274 444 HD1 TRP 52 HD1 TRP 52 3.473 12.456 -5.095 445 HE1 TRP 52 HE1 TRP 52 1.614 11.078 -6.223 446 HE3 TRP 52 HE3 TRP 52 4.427 7.909 -2.964 447 HZ2 TRP 52 HZ2 TRP 52 0.676 8.416 -6.210 448 HZ3 TRP 52 HZ3 TRP 52 3.003 5.998 -3.574 449 HH2 TRP 52 HH2 TRP 52 1.166 6.248 -5.163 450 H PHE 53 H PHE 53 6.408 12.834 -0.709 451 HA PHE 53 HA PHE 53 8.468 11.084 -0.035 452 HB2 PHE 53 1HB PHE 53 8.759 13.510 -0.044 453 HB3 PHE 53 2HB PHE 53 7.657 13.665 1.320 454 HD1 PHE 53 HD2 PHE 53 10.569 11.442 0.604 455 HD2 PHE 53 HD1 PHE 53 8.789 14.302 3.205 456 HE1 PHE 53 HE2 PHE 53 12.464 11.204 2.155 457 HE2 PHE 53 HE1 PHE 53 10.682 14.070 4.760 458 HZ PHE 53 HZ PHE 53 12.522 12.519 4.237 459 H LYS 54 H LYS 54 5.390 11.503 1.390 460 HA LYS 54 HA LYS 54 6.156 10.387 3.958 461 HB2 LYS 54 1HB LYS 54 4.190 12.115 3.245 462 HB3 LYS 54 2HB LYS 54 3.292 10.603 3.267 463 HG2 LYS 54 1HG LYS 54 4.750 10.519 5.607 464 HG3 LYS 54 2HG LYS 54 4.279 12.214 5.466 465 HD2 LYS 54 1HD LYS 54 2.155 10.268 4.865 466 HD3 LYS 54 2HD LYS 54 2.717 10.274 6.538 467 HE2 LYS 54 1HE LYS 54 2.376 12.748 6.559 468 HE3 LYS 54 2HE LYS 54 1.641 12.608 4.963 469 HZ1 LYS 54 3HZ LYS 54 0.607 11.761 7.566 470 HZ2 LYS 54 1HZ LYS 54 0.186 10.837 6.212 471 HZ3 LYS 54 2HZ LYS 54 -0.201 12.483 6.266 472 H ASN 55 H ASN 55 5.159 9.265 0.905 473 HA ASN 55 HA ASN 55 3.597 7.099 1.241 474 HB2 ASN 55 1HB ASN 55 4.379 7.498 -0.943 475 HB3 ASN 55 2HB ASN 55 6.067 7.430 -0.445 476 HD21 ASN 55 2HD2 ASN 55 3.401 5.219 0.250 477 HD22 ASN 55 1HD2 ASN 55 4.125 3.834 -0.488 478 H ARG 56 H ARG 56 7.133 6.662 1.288 479 HA ARG 56 HA ARG 56 6.822 4.277 2.907 480 HB2 ARG 56 1HB ARG 56 8.493 4.727 0.920 481 HB3 ARG 56 2HB ARG 56 9.487 5.427 2.191 482 HG2 ARG 56 1HG ARG 56 8.555 2.930 3.130 483 HG3 ARG 56 2HG ARG 56 9.151 2.696 1.486 484 HD2 ARG 56 1HD ARG 56 10.993 2.358 2.948 485 HD3 ARG 56 2HD ARG 56 11.230 3.923 2.171 486 HE ARG 56 HE ARG 56 10.980 4.950 4.213 487 HH11 ARG 56 1HH1 ARG 56 10.023 1.611 4.450 488 HH12 ARG 56 2HH1 ARG 56 9.913 1.630 6.179 489 HH21 ARG 56 1HH2 ARG 56 10.839 4.987 6.489 490 HH22 ARG 56 2HH2 ARG 56 10.376 3.551 7.338 491 H ARG 57 H ARG 57 8.192 7.518 3.209 492 HA ARG 57 HA ARG 57 9.521 7.335 5.605 493 HB2 ARG 57 1HB ARG 57 9.558 9.375 4.325 494 HB3 ARG 57 2HB ARG 57 7.827 9.597 4.542 495 HG2 ARG 57 1HG ARG 57 8.222 9.846 6.982 496 HG3 ARG 57 2HG ARG 57 9.956 9.781 6.660 497 HD2 ARG 57 1HD ARG 57 9.879 11.988 6.377 498 HD3 ARG 57 2HD ARG 57 9.001 11.680 4.879 499 HE ARG 57 HE ARG 57 7.076 12.411 5.890 500 HH11 ARG 57 1HH1 ARG 57 9.517 11.857 8.310 501 HH12 ARG 57 2HH1 ARG 57 8.597 12.579 9.589 502 HH21 ARG 57 1HH2 ARG 57 5.856 13.364 7.565 503 HH22 ARG 57 2HH2 ARG 57 6.515 13.435 9.164 504 H ALA 58 H ALA 58 6.081 7.351 5.031 505 HA ALA 58 HA ALA 58 5.455 7.645 7.855 506 HB1 ALA 58 1HB ALA 58 3.117 7.524 7.133 507 HB2 ALA 58 2HB ALA 58 4.018 8.741 6.228 508 HB3 ALA 58 3HB ALA 58 3.647 7.185 5.485 509 H LYS 59 H LYS 59 5.614 5.144 5.408 510 HA LYS 59 HA LYS 59 4.193 3.117 6.698 511 HB2 LYS 59 1HB LYS 59 6.062 3.329 4.484 512 HB3 LYS 59 2HB LYS 59 6.288 1.833 5.380 513 HG2 LYS 59 1HG LYS 59 4.720 1.636 3.475 514 HG3 LYS 59 2HG LYS 59 4.007 1.201 5.030 515 HD2 LYS 59 1HD LYS 59 2.535 2.904 4.968 516 HD3 LYS 59 2HD LYS 59 3.716 4.029 4.294 517 HE2 LYS 59 1HE LYS 59 2.310 3.847 2.508 518 HE3 LYS 59 2HE LYS 59 3.402 2.509 2.152 519 HZ1 LYS 59 3HZ LYS 59 1.821 0.982 2.597 520 HZ2 LYS 59 1HZ LYS 59 0.771 2.249 2.204 521 HZ3 LYS 59 2HZ LYS 59 1.100 1.896 3.825 522 H TYR 60 H TYR 60 7.240 4.511 7.435 523 HA TYR 60 HA TYR 60 8.632 2.471 8.659 524 HB2 TYR 60 1HB TYR 60 9.953 4.104 9.589 525 HB3 TYR 60 2HB TYR 60 9.141 5.054 8.350 526 HD1 TYR 60 HD1 TYR 60 6.878 6.179 9.141 527 HD2 TYR 60 HD2 TYR 60 9.999 4.926 11.747 528 HE1 TYR 60 HE1 TYR 60 6.054 7.729 10.864 529 HE2 TYR 60 HE2 TYR 60 9.183 6.471 13.478 530 HH TYR 60 HH TYR 60 7.392 7.752 14.106 531 H ARG 61 H ARG 61 5.773 4.122 9.742 532 HA ARG 61 HA ARG 61 5.942 3.251 12.467 533 HB2 ARG 61 1HB ARG 61 3.739 4.183 12.724 534 HB3 ARG 61 2HB ARG 61 4.694 5.283 11.739 535 HG2 ARG 61 1HG ARG 61 3.574 3.847 9.789 536 HG3 ARG 61 2HG ARG 61 2.331 3.661 11.028 537 HD2 ARG 61 1HD ARG 61 3.472 6.324 10.206 538 HD3 ARG 61 2HD ARG 61 2.034 5.617 9.470 539 HE ARG 61 HE ARG 61 2.207 6.904 12.015 540 HH11 ARG 61 1HH1 ARG 61 0.524 4.450 10.207 541 HH12 ARG 61 2HH1 ARG 61 -0.920 4.554 11.160 542 HH21 ARG 61 1HH2 ARG 61 0.312 7.050 13.276 543 HH22 ARG 61 2HH2 ARG 61 -1.040 6.034 12.904 544 H LEU 62 H LEU 62 4.398 2.086 9.532 545 HA LEU 62 HA LEU 62 2.754 0.127 10.710 546 HB2 LEU 62 1HB LEU 62 2.626 0.999 8.358 547 HB3 LEU 62 2HB LEU 62 4.024 -0.007 7.983 548 HG LEU 62 HG LEU 62 1.767 -0.923 7.313 549 HD11 LEU 62 1HD1 LEU 62 2.444 -3.115 7.653 550 HD12 LEU 62 2HD1 LEU 62 3.149 -2.760 9.230 551 HD13 LEU 62 3HD1 LEU 62 3.956 -2.212 7.760 552 HD21 LEU 62 3HD2 LEU 62 1.448 -1.715 10.178 553 HD22 LEU 62 1HD2 LEU 62 0.254 -1.694 8.881 554 HD23 LEU 62 2HD2 LEU 62 0.796 -0.180 9.605 555 H GLN 63 H GLN 63 5.954 -0.185 9.168 556 HA GLN 63 HA GLN 63 6.292 -2.912 9.801 557 HB2 GLN 63 1HB GLN 63 8.671 -2.530 9.263 558 HB3 GLN 63 2HB GLN 63 7.595 -1.858 8.046 559 HG2 GLN 63 1HG GLN 63 8.260 0.246 8.431 560 HG3 GLN 63 2HG GLN 63 8.357 0.007 10.175 561 HE21 GLN 63 2HE2 GLN 63 9.986 -1.351 7.324 562 HE22 GLN 63 1HE2 GLN 63 11.590 -1.114 7.918 563 H GLU 64 H GLU 64 6.603 -0.057 11.678 564 HA GLU 64 HA GLU 64 8.523 -0.724 13.553 565 HB2 GLU 64 1HB GLU 64 6.974 1.398 13.268 566 HB3 GLU 64 2HB GLU 64 5.996 0.576 14.475 567 HG2 GLU 64 1HG GLU 64 7.595 0.781 16.113 568 HG3 GLU 64 2HG GLU 64 8.914 0.938 14.955 569 H LYS 65 H LYS 65 5.036 -1.436 13.674 570 HA LYS 65 HA LYS 65 5.196 -2.958 16.067 571 HB2 LYS 65 1HB LYS 65 2.910 -3.478 15.717 572 HB3 LYS 65 2HB LYS 65 3.130 -1.840 15.117 573 HG2 LYS 65 1HG LYS 65 1.999 -2.607 13.342 574 HG3 LYS 65 2HG LYS 65 3.570 -3.249 12.858 575 HD2 LYS 65 1HD LYS 65 2.089 -5.058 12.643 576 HD3 LYS 65 2HD LYS 65 2.926 -5.342 14.171 577 HE2 LYS 65 1HE LYS 65 0.818 -5.671 14.921 578 HE3 LYS 65 2HE LYS 65 0.843 -3.914 15.067 579 HZ1 LYS 65 3HZ LYS 65 -1.155 -4.664 13.950 580 HZ2 LYS 65 1HZ LYS 65 -0.238 -5.450 12.766 581 HZ3 LYS 65 2HZ LYS 65 -0.198 -3.764 12.884 582 H GLN 66 H GLN 66 5.620 -3.700 12.698 583 HA GLN 66 HA GLN 66 5.219 -6.471 12.757 584 HB2 GLN 66 1HB GLN 66 6.446 -4.529 10.951 585 HB3 GLN 66 2HB GLN 66 7.222 -6.106 10.893 586 HG2 GLN 66 1HG GLN 66 5.331 -5.684 9.261 587 HG3 GLN 66 2HG GLN 66 5.264 -7.174 10.201 588 HE21 GLN 66 2HE2 GLN 66 3.302 -7.633 10.858 589 HE22 GLN 66 1HE2 GLN 66 2.088 -6.499 11.333 590 H LYS 67 H LYS 67 8.415 -4.921 12.515 591 HA LYS 67 HA LYS 67 9.726 -7.221 13.598 592 HB2 LYS 67 1HB LYS 67 10.563 -4.536 12.618 593 HB3 LYS 67 2HB LYS 67 11.671 -5.399 13.677 594 HG2 LYS 67 1HG LYS 67 11.927 -7.163 12.160 595 HG3 LYS 67 2HG LYS 67 10.502 -6.687 11.234 596 HD2 LYS 67 1HD LYS 67 12.267 -5.963 9.903 597 HD3 LYS 67 2HD LYS 67 11.805 -4.504 10.782 598 HE2 LYS 67 1HE LYS 67 14.219 -4.741 10.753 599 HE3 LYS 67 2HE LYS 67 13.608 -4.924 12.396 600 HZ1 LYS 67 3HZ LYS 67 14.166 -7.105 12.462 601 HZ2 LYS 67 1HZ LYS 67 15.339 -6.597 11.353 602 HZ3 LYS 67 2HZ LYS 67 13.928 -7.351 10.805 603 HA PRO 68 HA PRO 68 9.823 -6.328 17.892 604 HB2 PRO 68 1HB PRO 68 12.349 -7.040 18.585 605 HB3 PRO 68 2HB PRO 68 11.101 -8.218 18.162 606 HG2 PRO 68 1HG PRO 68 13.317 -7.120 16.476 607 HG3 PRO 68 2HG PRO 68 12.738 -8.791 16.614 608 HD2 PRO 68 1HD PRO 68 12.046 -7.175 14.554 609 HD3 PRO 68 2HD PRO 68 10.960 -8.425 15.194 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.205 -2.777 0.811 2 HA2 GLY 1 1HA GLY 1 5.093 -1.713 -0.792 3 HA3 GLY 1 2HA GLY 1 3.452 -1.991 -1.354 4 HA PRO 2 HA PRO 2 4.565 2.565 -1.616 5 HB2 PRO 2 1HB PRO 2 4.213 2.800 -4.297 6 HB3 PRO 2 2HB PRO 2 5.758 2.351 -3.567 7 HG2 PRO 2 1HG PRO 2 3.669 0.602 -4.807 8 HG3 PRO 2 2HG PRO 2 5.433 0.532 -4.979 9 HD2 PRO 2 1HD PRO 2 4.063 -1.123 -3.331 10 HD3 PRO 2 2HD PRO 2 5.711 -0.568 -2.972 11 H ARG 3 H ARG 3 2.973 3.994 -1.298 12 HA ARG 3 HA ARG 3 0.647 4.244 -2.820 13 HB2 ARG 3 1HB ARG 3 0.505 2.166 -0.847 14 HB3 ARG 3 2HB ARG 3 -0.601 3.460 -0.404 15 HG2 ARG 3 1HG ARG 3 -1.219 3.247 -2.993 16 HG3 ARG 3 2HG ARG 3 -0.677 1.595 -2.691 17 HD2 ARG 3 1HD ARG 3 -2.219 1.734 -0.614 18 HD3 ARG 3 2HD ARG 3 -2.953 3.097 -1.456 19 HE ARG 3 HE ARG 3 -2.943 1.128 -3.320 20 HH11 ARG 3 1HH1 ARG 3 -4.104 1.346 -0.045 21 HH12 ARG 3 2HH1 ARG 3 -5.396 0.217 -0.290 22 HH21 ARG 3 1HH2 ARG 3 -4.640 -0.360 -3.655 23 HH22 ARG 3 2HH2 ARG 3 -5.699 -0.753 -2.343 24 H LYS 4 H LYS 4 -0.823 5.869 -1.979 25 HA LYS 4 HA LYS 4 -0.453 7.200 0.465 26 HB2 LYS 4 1HB LYS 4 1.694 7.733 -0.989 27 HB3 LYS 4 2HB LYS 4 0.621 8.911 -1.734 28 HG2 LYS 4 1HG LYS 4 0.419 9.060 1.125 29 HG3 LYS 4 2HG LYS 4 2.104 9.194 0.618 30 HD2 LYS 4 1HD LYS 4 1.636 11.057 -0.766 31 HD3 LYS 4 2HD LYS 4 -0.106 10.798 -0.648 32 HE2 LYS 4 1HE LYS 4 1.732 11.636 1.593 33 HE3 LYS 4 2HE LYS 4 0.591 12.674 0.740 34 HZ1 LYS 4 3HZ LYS 4 0.000 10.438 2.583 35 HZ2 LYS 4 1HZ LYS 4 -1.168 11.056 1.526 36 HZ3 LYS 4 2HZ LYS 4 -0.481 12.055 2.706 37 H ASN 5 H ASN 5 -1.393 9.567 0.262 38 HA ASN 5 HA ASN 5 -4.041 9.392 -0.449 39 HB2 ASN 5 1HB ASN 5 -2.199 11.739 -0.105 40 HB3 ASN 5 2HB ASN 5 -3.873 11.987 -0.593 41 HD21 ASN 5 2HD2 ASN 5 -5.133 12.480 1.034 42 HD22 ASN 5 1HD2 ASN 5 -4.999 11.887 2.651 43 H ARG 6 H ARG 6 -1.300 10.172 -2.458 44 HA ARG 6 HA ARG 6 -3.050 10.852 -4.704 45 HB2 ARG 6 1HB ARG 6 -0.035 10.890 -4.694 46 HB3 ARG 6 2HB ARG 6 -1.125 11.717 -5.799 47 HG2 ARG 6 1HG ARG 6 -0.766 12.341 -2.875 48 HG3 ARG 6 2HG ARG 6 -0.115 13.270 -4.228 49 HD2 ARG 6 1HD ARG 6 -3.032 12.818 -3.609 50 HD3 ARG 6 2HD ARG 6 -2.132 14.313 -3.355 51 HE ARG 6 HE ARG 6 -1.900 13.599 -6.047 52 HH11 ARG 6 1HH1 ARG 6 -4.335 14.643 -3.788 53 HH12 ARG 6 2HH1 ARG 6 -5.305 15.422 -4.994 54 HH21 ARG 6 1HH2 ARG 6 -3.169 14.620 -7.643 55 HH22 ARG 6 2HH2 ARG 6 -4.642 15.407 -7.187 56 H ARG 7 H ARG 7 -1.654 10.044 -6.862 57 HA ARG 7 HA ARG 7 -1.829 7.122 -6.658 58 HB2 ARG 7 1HB ARG 7 -2.076 9.020 -8.988 59 HB3 ARG 7 2HB ARG 7 -1.922 7.281 -9.201 60 HG2 ARG 7 1HG ARG 7 -3.951 7.081 -7.674 61 HG3 ARG 7 2HG ARG 7 -4.160 8.815 -7.925 62 HD2 ARG 7 1HD ARG 7 -4.284 8.456 -10.337 63 HD3 ARG 7 2HD ARG 7 -4.048 6.725 -10.097 64 HE ARG 7 HE ARG 7 -6.487 8.165 -9.838 65 HH11 ARG 7 1HH1 ARG 7 -4.694 5.477 -8.542 66 HH12 ARG 7 2HH1 ARG 7 -6.105 4.618 -8.021 67 HH21 ARG 7 1HH2 ARG 7 -8.353 7.044 -9.156 68 HH22 ARG 7 2HH2 ARG 7 -8.186 5.511 -8.371 69 H GLU 8 H GLU 8 -0.010 5.993 -6.605 70 HA GLU 8 HA GLU 8 2.546 6.997 -6.715 71 HB2 GLU 8 1HB GLU 8 3.168 4.559 -7.368 72 HB3 GLU 8 2HB GLU 8 2.403 4.865 -5.815 73 HG2 GLU 8 1HG GLU 8 0.597 4.286 -8.074 74 HG3 GLU 8 2HG GLU 8 1.604 2.956 -7.505 75 H ARG 9 H ARG 9 4.273 6.345 -8.341 76 HA ARG 9 HA ARG 9 3.934 7.680 -10.719 77 HB2 ARG 9 1HB ARG 9 6.086 6.784 -9.604 78 HB3 ARG 9 2HB ARG 9 5.778 5.314 -10.519 79 HG2 ARG 9 1HG ARG 9 5.728 7.850 -12.033 80 HG3 ARG 9 2HG ARG 9 7.295 7.311 -11.427 81 HD2 ARG 9 1HD ARG 9 7.320 5.447 -12.752 82 HD3 ARG 9 2HD ARG 9 5.562 5.320 -12.792 83 HE ARG 9 HE ARG 9 6.449 7.639 -14.167 84 HH11 ARG 9 1HH1 ARG 9 6.191 4.180 -14.459 85 HH12 ARG 9 2HH1 ARG 9 6.108 4.201 -16.190 86 HH21 ARG 9 1HH2 ARG 9 6.341 7.681 -16.445 87 HH22 ARG 9 2HH2 ARG 9 6.194 6.193 -17.318 88 H THR 10 H THR 10 3.203 4.340 -9.967 89 HA THR 10 HA THR 10 1.426 4.071 -12.149 90 HB THR 10 HB THR 10 3.683 3.896 -13.316 91 HG1 THR 10 HG1 THR 10 1.873 3.085 -14.350 92 HG21 THR 10 3HG2 THR 10 4.378 2.255 -11.294 93 HG22 THR 10 1HG2 THR 10 5.136 2.211 -12.885 94 HG23 THR 10 2HG2 THR 10 3.854 1.067 -12.487 95 H THR 11 H THR 11 1.315 1.387 -12.527 96 HA THR 11 HA THR 11 -0.112 0.390 -10.441 97 HB THR 11 HB THR 11 0.403 -1.894 -11.273 98 HG1 THR 11 HG1 THR 11 2.170 -0.531 -13.051 99 HG21 THR 11 3HG2 THR 11 0.078 -0.412 -13.793 100 HG22 THR 11 1HG2 THR 11 -1.028 0.062 -12.504 101 HG23 THR 11 2HG2 THR 11 -0.969 -1.616 -13.043 102 H TYR 12 H TYR 12 3.354 -0.234 -10.996 103 HA TYR 12 HA TYR 12 3.903 -0.215 -8.185 104 HB2 TYR 12 1HB TYR 12 4.873 -2.607 -8.294 105 HB3 TYR 12 2HB TYR 12 3.134 -2.424 -8.092 106 HD1 TYR 12 HD2 TYR 12 1.616 -2.849 -10.003 107 HD2 TYR 12 HD1 TYR 12 5.793 -3.620 -10.253 108 HE1 TYR 12 HE2 TYR 12 1.232 -4.253 -11.986 109 HE2 TYR 12 HE1 TYR 12 5.421 -5.025 -12.238 110 HH TYR 12 HH TYR 12 3.927 -5.880 -13.635 111 H SER 13 H SER 13 5.628 1.075 -8.330 112 HA SER 13 HA SER 13 7.912 0.133 -9.906 113 HB2 SER 13 1HB SER 13 6.349 2.457 -10.520 114 HB3 SER 13 2HB SER 13 7.960 2.968 -10.018 115 HG SER 13 HG SER 13 8.634 2.336 -11.892 116 H ARG 14 H ARG 14 9.962 0.981 -9.191 117 HA ARG 14 HA ARG 14 10.050 1.278 -6.325 118 HB2 ARG 14 1HB ARG 14 12.482 1.179 -6.602 119 HB3 ARG 14 2HB ARG 14 11.690 -0.130 -7.468 120 HG2 ARG 14 1HG ARG 14 12.103 2.250 -9.100 121 HG3 ARG 14 2HG ARG 14 13.599 1.540 -8.490 122 HD2 ARG 14 1HD ARG 14 11.576 -0.311 -9.614 123 HD3 ARG 14 2HD ARG 14 12.430 0.733 -10.750 124 HE ARG 14 HE ARG 14 14.296 -0.481 -9.038 125 HH11 ARG 14 1HH1 ARG 14 12.110 -1.284 -11.626 126 HH12 ARG 14 2HH1 ARG 14 13.059 -2.620 -12.187 127 HH21 ARG 14 1HH2 ARG 14 15.554 -2.238 -9.768 128 HH22 ARG 14 2HH2 ARG 14 15.017 -3.163 -11.129 129 H GLN 15 H GLN 15 10.014 3.365 -9.026 130 HA GLN 15 HA GLN 15 11.548 5.521 -8.191 131 HB2 GLN 15 1HB GLN 15 8.939 5.568 -9.718 132 HB3 GLN 15 2HB GLN 15 10.075 6.906 -9.613 133 HG2 GLN 15 1HG GLN 15 10.927 4.239 -10.669 134 HG3 GLN 15 2HG GLN 15 10.110 5.413 -11.700 135 HE21 GLN 15 2HE2 GLN 15 11.822 5.821 -13.026 136 HE22 GLN 15 1HE2 GLN 15 13.263 6.619 -12.505 137 H GLN 16 H GLN 16 8.061 5.001 -7.651 138 HA GLN 16 HA GLN 16 7.577 7.251 -6.099 139 HB2 GLN 16 1HB GLN 16 5.711 5.811 -5.087 140 HB3 GLN 16 2HB GLN 16 5.685 6.074 -6.826 141 HG2 GLN 16 1HG GLN 16 7.168 3.693 -6.016 142 HG3 GLN 16 2HG GLN 16 5.460 3.659 -5.582 143 HE21 GLN 16 2HE2 GLN 16 4.396 2.520 -7.028 144 HE22 GLN 16 1HE2 GLN 16 4.591 2.611 -8.742 145 H LEU 17 H LEU 17 9.058 4.211 -5.247 146 HA LEU 17 HA LEU 17 8.995 4.813 -2.403 147 HB2 LEU 17 1HB LEU 17 10.329 2.527 -3.843 148 HB3 LEU 17 2HB LEU 17 10.055 2.660 -2.107 149 HG LEU 17 HG LEU 17 7.639 2.774 -3.796 150 HD11 LEU 17 1HD1 LEU 17 9.556 0.549 -3.939 151 HD12 LEU 17 2HD1 LEU 17 8.272 1.020 -5.052 152 HD13 LEU 17 3HD1 LEU 17 7.885 0.093 -3.602 153 HD21 LEU 17 3HD2 LEU 17 7.547 0.811 -1.768 154 HD22 LEU 17 1HD2 LEU 17 6.770 2.394 -1.793 155 HD23 LEU 17 2HD2 LEU 17 8.382 2.214 -1.101 156 H GLU 18 H GLU 18 10.962 5.488 -5.055 157 HA GLU 18 HA GLU 18 13.513 5.424 -3.788 158 HB2 GLU 18 1HB GLU 18 12.466 6.733 -6.288 159 HB3 GLU 18 2HB GLU 18 14.116 6.989 -5.739 160 HG2 GLU 18 1HG GLU 18 13.332 4.179 -5.845 161 HG3 GLU 18 2HG GLU 18 13.290 4.997 -7.406 162 H ILE 19 H ILE 19 11.107 7.958 -4.355 163 HA ILE 19 HA ILE 19 12.412 10.219 -3.601 164 HB ILE 19 HB ILE 19 9.639 9.531 -2.626 165 HG12 ILE 19 1HG1 ILE 19 9.520 11.083 -4.978 166 HG13 ILE 19 2HG1 ILE 19 10.661 9.784 -5.309 167 HG21 ILE 19 1HG2 ILE 19 11.027 11.673 -1.928 168 HG22 ILE 19 2HG2 ILE 19 10.461 12.249 -3.495 169 HG23 ILE 19 3HG2 ILE 19 9.298 11.757 -2.264 170 HD11 ILE 19 3HD1 ILE 19 8.047 9.126 -4.050 171 HD12 ILE 19 1HD1 ILE 19 8.114 9.481 -5.776 172 HD13 ILE 19 2HD1 ILE 19 9.067 8.154 -5.110 173 H LEU 20 H LEU 20 11.189 7.689 -1.471 174 HA LEU 20 HA LEU 20 12.163 9.131 0.877 175 HB2 LEU 20 1HB LEU 20 11.019 6.433 1.180 176 HB3 LEU 20 2HB LEU 20 10.742 7.895 2.124 177 HG LEU 20 HG LEU 20 8.674 7.352 1.137 178 HD11 LEU 20 1HD1 LEU 20 9.641 9.753 0.870 179 HD12 LEU 20 2HD1 LEU 20 8.145 9.311 0.048 180 HD13 LEU 20 3HD1 LEU 20 9.664 9.350 -0.847 181 HD21 LEU 20 3HD2 LEU 20 8.442 6.221 -0.765 182 HD22 LEU 20 1HD2 LEU 20 10.202 6.128 -0.833 183 HD23 LEU 20 2HD2 LEU 20 9.355 7.427 -1.673 184 H GLU 21 H GLU 21 12.374 5.772 -0.318 185 HA GLU 21 HA GLU 21 14.384 4.817 1.237 186 HB2 GLU 21 1HB GLU 21 13.087 3.882 -0.951 187 HB3 GLU 21 2HB GLU 21 14.690 4.145 -1.624 188 HG2 GLU 21 1HG GLU 21 14.005 2.435 0.754 189 HG3 GLU 21 2HG GLU 21 14.472 1.874 -0.850 190 H THR 22 H THR 22 14.661 7.145 -1.331 191 HA THR 22 HA THR 22 17.574 7.026 -1.306 192 HB THR 22 HB THR 22 15.795 8.881 -2.897 193 HG1 THR 22 HG1 THR 22 15.602 6.494 -3.265 194 HG21 THR 22 3HG2 THR 22 18.439 9.147 -2.453 195 HG22 THR 22 1HG2 THR 22 17.655 9.627 -3.957 196 HG23 THR 22 2HG2 THR 22 18.472 8.068 -3.848 197 H LEU 23 H LEU 23 15.013 9.434 -0.727 198 HA LEU 23 HA LEU 23 16.867 11.343 0.357 199 HB2 LEU 23 1HB LEU 23 14.718 11.874 -0.864 200 HB3 LEU 23 2HB LEU 23 13.868 11.379 0.598 201 HG LEU 23 HG LEU 23 15.920 13.576 0.616 202 HD11 LEU 23 1HD1 LEU 23 14.514 14.651 -0.785 203 HD12 LEU 23 2HD1 LEU 23 13.604 14.923 0.701 204 HD13 LEU 23 3HD1 LEU 23 13.144 13.613 -0.387 205 HD21 LEU 23 3HD2 LEU 23 13.903 14.035 2.470 206 HD22 LEU 23 1HD2 LEU 23 15.526 13.427 2.800 207 HD23 LEU 23 2HD2 LEU 23 14.194 12.297 2.552 208 H PHE 24 H PHE 24 14.011 9.762 1.803 209 HA PHE 24 HA PHE 24 14.407 10.394 4.423 210 HB2 PHE 24 1HB PHE 24 12.431 9.208 3.804 211 HB3 PHE 24 2HB PHE 24 13.361 7.832 3.219 212 HD1 PHE 24 HD1 PHE 24 13.163 9.797 6.390 213 HD2 PHE 24 HD2 PHE 24 13.189 5.969 4.529 214 HE1 PHE 24 HE1 PHE 24 12.957 8.727 8.596 215 HE2 PHE 24 HE2 PHE 24 12.983 4.893 6.732 216 HZ PHE 24 HZ PHE 24 12.865 6.272 8.769 217 H ASN 25 H ASN 25 16.130 8.006 2.535 218 HA ASN 25 HA ASN 25 17.512 6.929 4.840 219 HB2 ASN 25 1HB ASN 25 16.857 5.593 2.767 220 HB3 ASN 25 2HB ASN 25 18.176 6.417 1.942 221 HD21 ASN 25 2HD2 ASN 25 17.291 3.881 4.010 222 HD22 ASN 25 1HD2 ASN 25 18.878 3.292 4.358 223 H GLU 26 H GLU 26 18.205 9.061 2.116 224 HA GLU 26 HA GLU 26 20.946 9.329 2.373 225 HB2 GLU 26 1HB GLU 26 18.766 10.915 1.219 226 HB3 GLU 26 2HB GLU 26 20.154 11.875 1.710 227 HG2 GLU 26 1HG GLU 26 20.467 9.425 0.016 228 HG3 GLU 26 2HG GLU 26 20.085 10.997 -0.685 229 H THR 27 H THR 27 18.394 11.177 4.014 230 HA THR 27 HA THR 27 19.797 11.442 6.424 231 HB THR 27 HB THR 27 19.856 14.157 5.887 232 HG1 THR 27 HG1 THR 27 19.998 14.222 3.761 233 HG21 THR 27 3HG2 THR 27 21.505 12.362 6.992 234 HG22 THR 27 1HG2 THR 27 22.025 13.988 6.553 235 HG23 THR 27 2HG2 THR 27 22.364 12.633 5.476 236 H GLN 28 H GLN 28 18.832 13.407 7.738 237 HA GLN 28 HA GLN 28 15.933 13.319 7.281 238 HB2 GLN 28 1HB GLN 28 17.467 13.980 9.801 239 HB3 GLN 28 2HB GLN 28 15.717 13.882 9.662 240 HG2 GLN 28 1HG GLN 28 15.880 11.514 9.125 241 HG3 GLN 28 2HG GLN 28 17.637 11.605 9.231 242 HE21 GLN 28 2HE2 GLN 28 17.583 10.000 10.850 243 HE22 GLN 28 1HE2 GLN 28 17.135 10.383 12.473 244 H TYR 29 H TYR 29 17.371 15.094 5.708 245 HA TYR 29 HA TYR 29 16.756 17.708 6.918 246 HB2 TYR 29 1HB TYR 29 18.628 17.121 4.616 247 HB3 TYR 29 2HB TYR 29 18.370 18.685 5.380 248 HD1 TYR 29 HD1 TYR 29 18.406 17.950 8.239 249 HD2 TYR 29 HD2 TYR 29 20.869 16.630 5.030 250 HE1 TYR 29 HE1 TYR 29 20.217 17.473 9.833 251 HE2 TYR 29 HE2 TYR 29 22.686 16.148 6.616 252 HH TYR 29 HH TYR 29 22.342 15.750 9.742 253 HA PRO 30 HA PRO 30 13.581 17.049 3.621 254 HB2 PRO 30 1HB PRO 30 11.551 18.146 5.052 255 HB3 PRO 30 2HB PRO 30 12.016 16.446 5.191 256 HG2 PRO 30 1HG PRO 30 12.716 18.754 6.966 257 HG3 PRO 30 2HG PRO 30 12.227 17.108 7.411 258 HD2 PRO 30 1HD PRO 30 14.811 17.916 7.433 259 HD3 PRO 30 2HD PRO 30 14.335 16.249 7.051 260 H ASP 31 H ASP 31 14.998 18.735 2.619 261 HA ASP 31 HA ASP 31 13.681 21.364 2.768 262 HB2 ASP 31 1HB ASP 31 16.116 21.096 3.746 263 HB3 ASP 31 2HB ASP 31 16.577 21.177 2.048 264 H VAL 32 H VAL 32 14.345 22.712 0.748 265 HA VAL 32 HA VAL 32 13.225 21.572 -1.503 266 HB VAL 32 HB VAL 32 14.374 23.408 -2.794 267 HG11 VAL 32 1HG1 VAL 32 13.260 25.242 -1.277 268 HG12 VAL 32 2HG1 VAL 32 12.277 24.036 -2.110 269 HG13 VAL 32 3HG1 VAL 32 12.657 23.838 -0.398 270 HG21 VAL 32 3HG2 VAL 32 15.488 25.153 -1.361 271 HG22 VAL 32 1HG2 VAL 32 15.553 23.946 -0.077 272 HG23 VAL 32 2HG2 VAL 32 16.409 23.667 -1.593 273 H PHE 33 H PHE 33 16.657 21.847 -0.653 274 HA PHE 33 HA PHE 33 17.771 20.854 -2.994 275 HB2 PHE 33 1HB PHE 33 18.702 21.567 -0.458 276 HB3 PHE 33 2HB PHE 33 19.189 19.887 -0.656 277 HD1 PHE 33 HD2 PHE 33 19.311 23.201 -2.324 278 HD2 PHE 33 HD1 PHE 33 21.066 19.346 -1.911 279 HE1 PHE 33 HE2 PHE 33 21.211 23.922 -3.711 280 HE2 PHE 33 HE1 PHE 33 22.970 20.060 -3.297 281 HZ PHE 33 HZ PHE 33 23.043 22.350 -4.200 282 H ALA 34 H ALA 34 16.008 19.220 -0.525 283 HA ALA 34 HA ALA 34 16.943 16.583 -1.295 284 HB1 ALA 34 1HB ALA 34 16.141 17.477 1.068 285 HB2 ALA 34 2HB ALA 34 14.578 16.925 0.465 286 HB3 ALA 34 3HB ALA 34 15.927 15.795 0.583 287 H ARG 35 H ARG 35 13.692 18.046 -1.062 288 HA ARG 35 HA ARG 35 12.372 16.153 -2.610 289 HB2 ARG 35 1HB ARG 35 10.642 17.916 -2.947 290 HB3 ARG 35 2HB ARG 35 11.128 17.714 -1.269 291 HG2 ARG 35 1HG ARG 35 12.607 19.676 -1.494 292 HG3 ARG 35 2HG ARG 35 12.011 19.899 -3.141 293 HD2 ARG 35 1HD ARG 35 10.182 20.936 -2.412 294 HD3 ARG 35 2HD ARG 35 9.823 19.628 -1.285 295 HE ARG 35 HE ARG 35 11.125 22.129 -0.691 296 HH11 ARG 35 1HH1 ARG 35 10.606 18.838 0.316 297 HH12 ARG 35 2HH1 ARG 35 10.964 19.153 1.981 298 HH21 ARG 35 1HH2 ARG 35 11.599 22.557 1.499 299 HH22 ARG 35 2HH2 ARG 35 11.528 21.269 2.653 300 H GLU 36 H GLU 36 13.903 19.197 -3.595 301 HA GLU 36 HA GLU 36 13.156 19.109 -6.300 302 HB2 GLU 36 1HB GLU 36 14.066 21.114 -5.169 303 HB3 GLU 36 2HB GLU 36 15.641 20.337 -5.094 304 HG2 GLU 36 1HG GLU 36 15.835 20.353 -7.477 305 HG3 GLU 36 2HG GLU 36 14.178 20.927 -7.654 306 H ARG 37 H ARG 37 15.609 17.430 -4.524 307 HA ARG 37 HA ARG 37 17.195 16.694 -6.794 308 HB2 ARG 37 1HB ARG 37 18.147 16.794 -4.530 309 HB3 ARG 37 2HB ARG 37 17.080 15.492 -4.022 310 HG2 ARG 37 1HG ARG 37 18.272 14.288 -6.091 311 HG3 ARG 37 2HG ARG 37 19.557 15.403 -5.621 312 HD2 ARG 37 1HD ARG 37 18.930 14.490 -3.206 313 HD3 ARG 37 2HD ARG 37 18.395 13.101 -4.150 314 HE ARG 37 HE ARG 37 20.582 12.552 -4.462 315 HH11 ARG 37 1HH1 ARG 37 20.396 15.936 -3.664 316 HH12 ARG 37 2HH1 ARG 37 22.114 16.151 -3.607 317 HH21 ARG 37 1HH2 ARG 37 22.846 12.822 -4.389 318 HH22 ARG 37 2HH2 ARG 37 23.507 14.379 -4.020 319 H VAL 38 H VAL 38 15.201 14.705 -4.598 320 HA VAL 38 HA VAL 38 15.160 12.409 -6.161 321 HB VAL 38 HB VAL 38 12.959 11.916 -4.963 322 HG11 VAL 38 1HG1 VAL 38 15.384 12.632 -3.317 323 HG12 VAL 38 2HG1 VAL 38 14.078 11.555 -2.816 324 HG13 VAL 38 3HG1 VAL 38 15.120 11.111 -4.169 325 HG21 VAL 38 3HG2 VAL 38 12.619 14.487 -4.655 326 HG22 VAL 38 1HG2 VAL 38 12.098 13.369 -3.395 327 HG23 VAL 38 2HG2 VAL 38 13.615 14.250 -3.220 328 H ALA 39 H ALA 39 13.450 15.379 -6.554 329 HA ALA 39 HA ALA 39 11.208 14.583 -7.993 330 HB1 ALA 39 1HB ALA 39 12.208 16.992 -9.131 331 HB2 ALA 39 2HB ALA 39 10.877 16.775 -7.994 332 HB3 ALA 39 3HB ALA 39 12.517 17.018 -7.395 333 H ASP 40 H ASP 40 14.549 14.809 -8.969 334 HA ASP 40 HA ASP 40 13.939 14.509 -11.785 335 HB2 ASP 40 1HB ASP 40 15.927 15.808 -10.777 336 HB3 ASP 40 2HB ASP 40 16.670 14.227 -10.554 337 H GLN 41 H GLN 41 14.353 12.478 -9.103 338 HA GLN 41 HA GLN 41 15.425 10.213 -10.503 339 HB2 GLN 41 1HB GLN 41 14.116 10.467 -7.792 340 HB3 GLN 41 2HB GLN 41 14.827 8.981 -8.408 341 HG2 GLN 41 1HG GLN 41 16.373 11.540 -8.115 342 HG3 GLN 41 2HG GLN 41 16.258 10.326 -6.842 343 HE21 GLN 41 2HE2 GLN 41 17.958 11.345 -9.530 344 HE22 GLN 41 1HE2 GLN 41 18.907 9.926 -9.796 345 H ILE 42 H ILE 42 12.228 11.005 -9.143 346 HA ILE 42 HA ILE 42 11.043 8.785 -10.616 347 HB ILE 42 HB ILE 42 9.121 9.038 -9.311 348 HG12 ILE 42 1HG1 ILE 42 10.089 11.775 -8.459 349 HG13 ILE 42 2HG1 ILE 42 8.885 11.489 -9.711 350 HG21 ILE 42 1HG2 ILE 42 11.158 10.010 -7.342 351 HG22 ILE 42 2HG2 ILE 42 9.887 8.807 -7.128 352 HG23 ILE 42 3HG2 ILE 42 11.310 8.423 -8.097 353 HD11 ILE 42 3HD1 ILE 42 7.541 11.920 -7.926 354 HD12 ILE 42 1HD1 ILE 42 7.680 10.167 -7.792 355 HD13 ILE 42 2HD1 ILE 42 8.664 11.211 -6.765 356 H ARG 43 H ARG 43 11.757 11.973 -11.194 357 HA ARG 43 HA ARG 43 11.209 13.394 -12.888 358 HB2 ARG 43 1HB ARG 43 10.886 11.032 -14.048 359 HB3 ARG 43 2HB ARG 43 9.193 11.506 -14.016 360 HG2 ARG 43 1HG ARG 43 11.442 13.049 -15.292 361 HG3 ARG 43 2HG ARG 43 10.222 12.091 -16.133 362 HD2 ARG 43 1HD ARG 43 8.471 13.566 -15.268 363 HD3 ARG 43 2HD ARG 43 9.692 14.521 -14.426 364 HE ARG 43 HE ARG 43 8.994 14.681 -17.187 365 HH11 ARG 43 1HH1 ARG 43 11.623 15.043 -14.933 366 HH12 ARG 43 2HH1 ARG 43 12.495 16.162 -15.929 367 HH21 ARG 43 1HH2 ARG 43 10.132 16.153 -18.507 368 HH22 ARG 43 2HH2 ARG 43 11.645 16.793 -17.961 369 H LEU 44 H LEU 44 10.132 14.279 -10.805 370 HA LEU 44 HA LEU 44 7.412 15.025 -11.538 371 HB2 LEU 44 1HB LEU 44 7.268 13.081 -9.985 372 HB3 LEU 44 2HB LEU 44 8.097 14.052 -8.770 373 HG LEU 44 HG LEU 44 6.226 15.595 -8.685 374 HD11 LEU 44 1HD1 LEU 44 5.519 15.473 -11.007 375 HD12 LEU 44 2HD1 LEU 44 4.165 15.141 -9.926 376 HD13 LEU 44 3HD1 LEU 44 4.967 13.815 -10.768 377 HD21 LEU 44 3HD2 LEU 44 4.573 14.124 -7.692 378 HD22 LEU 44 1HD2 LEU 44 6.198 13.598 -7.252 379 HD23 LEU 44 2HD2 LEU 44 5.297 12.731 -8.495 380 H GLN 45 H GLN 45 6.614 16.865 -10.197 381 HA GLN 45 HA GLN 45 8.424 18.980 -10.207 382 HB2 GLN 45 1HB GLN 45 5.660 18.579 -9.539 383 HB3 GLN 45 2HB GLN 45 6.409 19.615 -8.331 384 HG2 GLN 45 1HG GLN 45 6.333 20.067 -11.304 385 HG3 GLN 45 2HG GLN 45 5.457 20.967 -10.067 386 HE21 GLN 45 2HE2 GLN 45 6.572 22.419 -8.758 387 HE22 GLN 45 1HE2 GLN 45 8.141 23.009 -9.174 388 H GLU 46 H GLU 46 9.442 20.150 -8.545 389 HA GLU 46 HA GLU 46 10.635 18.569 -6.530 390 HB2 GLU 46 1HB GLU 46 11.585 20.728 -5.725 391 HB3 GLU 46 2HB GLU 46 11.841 20.438 -7.440 392 HG2 GLU 46 1HG GLU 46 9.553 21.826 -7.560 393 HG3 GLU 46 2HG GLU 46 10.235 22.502 -6.082 394 H SER 47 H SER 47 8.157 21.109 -6.404 395 HA SER 47 HA SER 47 7.790 20.820 -3.566 396 HB2 SER 47 1HB SER 47 5.976 22.447 -3.848 397 HB3 SER 47 2HB SER 47 7.432 22.987 -4.685 398 HG SER 47 HG SER 47 6.500 22.613 -6.592 399 H ARG 48 H ARG 48 6.537 19.330 -6.391 400 HA ARG 48 HA ARG 48 4.070 18.436 -5.211 401 HB2 ARG 48 1HB ARG 48 4.293 18.793 -7.642 402 HB3 ARG 48 2HB ARG 48 5.478 17.496 -7.716 403 HG2 ARG 48 1HG ARG 48 3.283 16.751 -8.462 404 HG3 ARG 48 2HG ARG 48 3.795 15.892 -7.009 405 HD2 ARG 48 1HD ARG 48 2.066 16.665 -5.825 406 HD3 ARG 48 2HD ARG 48 2.306 18.312 -6.405 407 HE ARG 48 HE ARG 48 0.431 16.391 -7.397 408 HH11 ARG 48 1HH1 ARG 48 2.363 19.160 -8.245 409 HH12 ARG 48 2HH1 ARG 48 1.327 19.648 -9.546 410 HH21 ARG 48 1HH2 ARG 48 -0.940 17.023 -9.107 411 HH22 ARG 48 2HH2 ARG 48 -0.552 18.432 -10.034 412 H ILE 49 H ILE 49 7.214 16.978 -5.962 413 HA ILE 49 HA ILE 49 6.668 14.358 -5.212 414 HB ILE 49 HB ILE 49 8.848 15.529 -6.195 415 HG12 ILE 49 1HG1 ILE 49 8.930 13.022 -4.502 416 HG13 ILE 49 2HG1 ILE 49 8.331 13.105 -6.155 417 HG21 ILE 49 1HG2 ILE 49 9.783 14.947 -3.410 418 HG22 ILE 49 2HG2 ILE 49 10.591 15.851 -4.690 419 HG23 ILE 49 3HG2 ILE 49 9.204 16.552 -3.857 420 HD11 ILE 49 3HD1 ILE 49 10.863 12.443 -5.435 421 HD12 ILE 49 1HD1 ILE 49 10.386 13.049 -7.021 422 HD13 ILE 49 2HD1 ILE 49 11.034 14.157 -5.811 423 H GLN 50 H GLN 50 7.024 17.174 -3.268 424 HA GLN 50 HA GLN 50 7.879 16.098 -0.845 425 HB2 GLN 50 1HB GLN 50 6.915 18.573 -1.754 426 HB3 GLN 50 2HB GLN 50 5.858 18.117 -0.425 427 HG2 GLN 50 1HG GLN 50 7.750 17.879 1.052 428 HG3 GLN 50 2HG GLN 50 8.862 18.209 -0.276 429 HE21 GLN 50 2HE2 GLN 50 7.743 20.319 -1.518 430 HE22 GLN 50 1HE2 GLN 50 7.674 21.683 -0.460 431 H VAL 51 H VAL 51 4.616 16.349 -2.198 432 HA VAL 51 HA VAL 51 3.249 15.333 0.053 433 HB VAL 51 HB VAL 51 1.335 15.156 -1.312 434 HG11 VAL 51 1HG1 VAL 51 1.142 17.325 -1.859 435 HG12 VAL 51 2HG1 VAL 51 2.780 17.459 -1.215 436 HG13 VAL 51 3HG1 VAL 51 2.525 17.276 -2.951 437 HG21 VAL 51 3HG2 VAL 51 1.798 15.438 -3.918 438 HG22 VAL 51 1HG2 VAL 51 3.303 14.638 -3.467 439 HG23 VAL 51 2HG2 VAL 51 1.756 13.859 -3.134 440 H TRP 52 H TRP 52 4.903 13.802 -2.611 441 HA TRP 52 HA TRP 52 3.827 11.182 -2.028 442 HB2 TRP 52 1HB TRP 52 5.548 12.379 -4.104 443 HB3 TRP 52 2HB TRP 52 5.927 10.708 -3.695 444 HD1 TRP 52 HD1 TRP 52 3.977 8.871 -4.151 445 HE1 TRP 52 HE1 TRP 52 2.026 8.880 -5.829 446 HE3 TRP 52 HE3 TRP 52 3.891 13.859 -5.270 447 HZ2 TRP 52 HZ2 TRP 52 0.634 10.753 -7.418 448 HZ3 TRP 52 HZ3 TRP 52 2.219 14.678 -6.879 449 HH2 TRP 52 HH2 TRP 52 0.626 13.155 -7.930 450 H PHE 53 H PHE 53 6.405 13.119 -0.930 451 HA PHE 53 HA PHE 53 8.364 11.229 -0.316 452 HB2 PHE 53 1HB PHE 53 8.794 13.617 -0.150 453 HB3 PHE 53 2HB PHE 53 7.620 13.766 1.153 454 HD1 PHE 53 HD2 PHE 53 10.654 11.744 0.347 455 HD2 PHE 53 HD1 PHE 53 8.457 13.913 3.277 456 HE1 PHE 53 HE2 PHE 53 12.434 11.319 1.991 457 HE2 PHE 53 HE1 PHE 53 10.234 13.492 4.926 458 HZ PHE 53 HZ PHE 53 12.225 12.192 4.284 459 H LYS 54 H LYS 54 5.248 11.644 0.985 460 HA LYS 54 HA LYS 54 5.838 10.419 3.542 461 HB2 LYS 54 1HB LYS 54 3.878 12.125 2.703 462 HB3 LYS 54 2HB LYS 54 3.026 10.586 2.683 463 HG2 LYS 54 1HG LYS 54 4.351 10.542 5.097 464 HG3 LYS 54 2HG LYS 54 3.857 12.228 4.927 465 HD2 LYS 54 1HD LYS 54 1.821 10.206 4.237 466 HD3 LYS 54 2HD LYS 54 2.272 10.298 5.941 467 HE2 LYS 54 1HE LYS 54 1.913 12.814 5.722 468 HE3 LYS 54 2HE LYS 54 1.121 12.452 4.189 469 HZ1 LYS 54 3HZ LYS 54 0.146 12.128 6.864 470 HZ2 LYS 54 1HZ LYS 54 -0.038 10.725 5.937 471 HZ3 LYS 54 2HZ LYS 54 -0.707 12.184 5.404 472 H ASN 55 H ASN 55 5.106 9.387 0.386 473 HA ASN 55 HA ASN 55 3.559 7.188 0.520 474 HB2 ASN 55 1HB ASN 55 4.547 7.722 -1.569 475 HB3 ASN 55 2HB ASN 55 6.179 7.558 -0.927 476 HD21 ASN 55 2HD2 ASN 55 6.650 6.121 -2.632 477 HD22 ASN 55 1HD2 ASN 55 6.118 4.478 -2.585 478 H ARG 56 H ARG 56 7.085 6.786 0.834 479 HA ARG 56 HA ARG 56 6.670 4.359 2.369 480 HB2 ARG 56 1HB ARG 56 8.462 4.830 0.509 481 HB3 ARG 56 2HB ARG 56 9.370 5.538 1.839 482 HG2 ARG 56 1HG ARG 56 8.439 3.047 2.750 483 HG3 ARG 56 2HG ARG 56 9.063 2.792 1.119 484 HD2 ARG 56 1HD ARG 56 11.067 2.656 2.106 485 HD3 ARG 56 2HD ARG 56 10.969 4.413 2.218 486 HE ARG 56 HE ARG 56 9.734 3.634 4.469 487 HH11 ARG 56 1HH1 ARG 56 12.767 2.710 3.032 488 HH12 ARG 56 2HH1 ARG 56 13.533 2.373 4.549 489 HH21 ARG 56 1HH2 ARG 56 10.731 3.194 6.473 490 HH22 ARG 56 2HH2 ARG 56 12.374 2.648 6.506 491 H ARG 57 H ARG 57 7.996 7.597 2.832 492 HA ARG 57 HA ARG 57 9.169 7.365 5.305 493 HB2 ARG 57 1HB ARG 57 9.253 9.430 4.038 494 HB3 ARG 57 2HB ARG 57 7.519 9.653 4.223 495 HG2 ARG 57 1HG ARG 57 8.752 11.107 5.724 496 HG3 ARG 57 2HG ARG 57 7.805 9.926 6.631 497 HD2 ARG 57 1HD ARG 57 9.670 8.748 7.302 498 HD3 ARG 57 2HD ARG 57 10.642 9.313 5.944 499 HE ARG 57 HE ARG 57 11.284 11.105 7.206 500 HH11 ARG 57 1HH1 ARG 57 8.436 9.690 8.624 501 HH12 ARG 57 2HH1 ARG 57 8.482 10.693 10.036 502 HH21 ARG 57 1HH2 ARG 57 11.355 12.431 9.061 503 HH22 ARG 57 2HH2 ARG 57 10.143 12.252 10.283 504 H ALA 58 H ALA 58 5.774 7.382 4.506 505 HA ALA 58 HA ALA 58 4.961 7.614 7.286 506 HB1 ALA 58 1HB ALA 58 3.290 7.161 4.816 507 HB2 ALA 58 2HB ALA 58 2.686 7.543 6.429 508 HB3 ALA 58 3HB ALA 58 3.646 8.728 5.544 509 H LYS 59 H LYS 59 5.291 5.166 4.803 510 HA LYS 59 HA LYS 59 3.800 3.106 5.955 511 HB2 LYS 59 1HB LYS 59 5.807 3.373 3.874 512 HB3 LYS 59 2HB LYS 59 5.990 1.861 4.753 513 HG2 LYS 59 1HG LYS 59 4.554 1.672 2.756 514 HG3 LYS 59 2HG LYS 59 3.730 1.229 4.253 515 HD2 LYS 59 1HD LYS 59 2.257 2.919 4.080 516 HD3 LYS 59 2HD LYS 59 3.487 4.061 3.533 517 HE2 LYS 59 1HE LYS 59 2.111 3.876 1.679 518 HE3 LYS 59 2HE LYS 59 3.395 2.723 1.318 519 HZ1 LYS 59 3HZ LYS 59 0.820 2.125 1.156 520 HZ2 LYS 59 1HZ LYS 59 1.098 1.679 2.765 521 HZ3 LYS 59 2HZ LYS 59 2.007 0.977 1.523 522 H TYR 60 H TYR 60 6.797 4.487 6.909 523 HA TYR 60 HA TYR 60 8.122 2.442 8.179 524 HB2 TYR 60 1HB TYR 60 9.339 4.065 9.264 525 HB3 TYR 60 2HB TYR 60 8.616 5.033 7.984 526 HD1 TYR 60 HD1 TYR 60 6.281 6.111 8.612 527 HD2 TYR 60 HD2 TYR 60 9.197 4.836 11.437 528 HE1 TYR 60 HE1 TYR 60 5.296 7.609 10.296 529 HE2 TYR 60 HE2 TYR 60 8.220 6.329 13.129 530 HH TYR 60 HH TYR 60 6.548 7.718 13.614 531 H ARG 61 H ARG 61 5.183 4.047 9.133 532 HA ARG 61 HA ARG 61 5.180 3.034 11.820 533 HB2 ARG 61 1HB ARG 61 3.888 5.082 10.629 534 HB3 ARG 61 2HB ARG 61 2.625 3.859 10.570 535 HG2 ARG 61 1HG ARG 61 4.050 4.330 13.140 536 HG3 ARG 61 2HG ARG 61 2.833 5.490 12.605 537 HD2 ARG 61 1HD ARG 61 1.211 3.646 12.392 538 HD3 ARG 61 2HD ARG 61 2.431 2.526 12.997 539 HE ARG 61 HE ARG 61 2.045 4.676 14.805 540 HH11 ARG 61 1HH1 ARG 61 0.590 1.720 13.681 541 HH12 ARG 61 2HH1 ARG 61 -0.255 1.419 15.164 542 HH21 ARG 61 1HH2 ARG 61 0.937 4.291 16.762 543 HH22 ARG 61 2HH2 ARG 61 -0.058 2.883 16.915 544 H LEU 62 H LEU 62 3.675 2.126 8.758 545 HA LEU 62 HA LEU 62 2.044 0.062 9.807 546 HB2 LEU 62 1HB LEU 62 2.090 1.294 7.469 547 HB3 LEU 62 2HB LEU 62 3.093 -0.087 7.028 548 HG LEU 62 HG LEU 62 0.758 -0.423 6.394 549 HD11 LEU 62 1HD1 LEU 62 1.305 -2.268 8.689 550 HD12 LEU 62 2HD1 LEU 62 2.313 -2.285 7.243 551 HD13 LEU 62 3HD1 LEU 62 0.588 -2.626 7.118 552 HD21 LEU 62 3HD2 LEU 62 0.179 0.838 8.780 553 HD22 LEU 62 1HD2 LEU 62 -0.267 -0.842 9.079 554 HD23 LEU 62 2HD2 LEU 62 -0.976 0.030 7.719 555 H GLN 63 H GLN 63 5.352 0.172 8.641 556 HA GLN 63 HA GLN 63 5.682 -2.689 8.699 557 HB2 GLN 63 1HB GLN 63 7.925 -2.295 8.019 558 HB3 GLN 63 2HB GLN 63 6.932 -1.124 7.160 559 HG2 GLN 63 1HG GLN 63 7.568 0.602 8.753 560 HG3 GLN 63 2HG GLN 63 8.542 -0.568 9.642 561 HE21 GLN 63 2HE2 GLN 63 8.179 1.018 6.517 562 HE22 GLN 63 1HE2 GLN 63 9.849 0.942 6.081 563 H GLU 64 H GLU 64 6.054 -0.057 10.908 564 HA GLU 64 HA GLU 64 7.939 -1.013 12.690 565 HB2 GLU 64 1HB GLU 64 6.645 1.213 12.700 566 HB3 GLU 64 2HB GLU 64 5.418 0.345 13.612 567 HG2 GLU 64 1HG GLU 64 8.293 0.475 14.466 568 HG3 GLU 64 2HG GLU 64 7.090 1.666 14.955 569 H LYS 65 H LYS 65 4.407 -1.419 13.002 570 HA LYS 65 HA LYS 65 4.625 -3.358 15.068 571 HB2 LYS 65 1HB LYS 65 2.253 -3.575 14.903 572 HB3 LYS 65 2HB LYS 65 2.636 -1.877 14.649 573 HG2 LYS 65 1HG LYS 65 1.230 -2.094 12.915 574 HG3 LYS 65 2HG LYS 65 2.653 -2.751 12.102 575 HD2 LYS 65 1HD LYS 65 1.023 -4.347 11.664 576 HD3 LYS 65 2HD LYS 65 1.861 -5.019 13.065 577 HE2 LYS 65 1HE LYS 65 -0.443 -5.267 13.509 578 HE3 LYS 65 2HE LYS 65 0.091 -3.901 14.488 579 HZ1 LYS 65 3HZ LYS 65 -2.014 -3.455 13.372 580 HZ2 LYS 65 1HZ LYS 65 -1.285 -3.694 11.864 581 HZ3 LYS 65 2HZ LYS 65 -0.807 -2.397 12.838 582 H GLN 66 H GLN 66 4.485 -3.519 11.585 583 HA GLN 66 HA GLN 66 3.730 -6.164 11.204 584 HB2 GLN 66 1HB GLN 66 4.525 -4.119 9.573 585 HB3 GLN 66 2HB GLN 66 5.879 -5.232 9.426 586 HG2 GLN 66 1HG GLN 66 3.158 -6.369 9.176 587 HG3 GLN 66 2HG GLN 66 3.740 -5.351 7.859 588 HE21 GLN 66 2HE2 GLN 66 3.298 -8.375 8.441 589 HE22 GLN 66 1HE2 GLN 66 4.711 -9.099 7.759 590 H LYS 67 H LYS 67 7.084 -4.941 11.214 591 HA LYS 67 HA LYS 67 8.384 -7.375 11.227 592 HB2 LYS 67 1HB LYS 67 9.139 -4.702 12.385 593 HB3 LYS 67 2HB LYS 67 10.223 -6.083 12.483 594 HG2 LYS 67 1HG LYS 67 9.093 -5.134 9.872 595 HG3 LYS 67 2HG LYS 67 10.570 -4.457 10.563 596 HD2 LYS 67 1HD LYS 67 10.386 -7.410 10.410 597 HD3 LYS 67 2HD LYS 67 10.573 -6.540 8.885 598 HE2 LYS 67 1HE LYS 67 12.769 -6.746 9.395 599 HE3 LYS 67 2HE LYS 67 12.444 -5.286 10.327 600 HZ1 LYS 67 3HZ LYS 67 13.664 -7.012 11.576 601 HZ2 LYS 67 1HZ LYS 67 12.322 -8.034 11.441 602 HZ3 LYS 67 2HZ LYS 67 12.197 -6.584 12.302 603 HA PRO 68 HA PRO 68 7.813 -9.230 15.163 604 HB2 PRO 68 1HB PRO 68 10.246 -10.348 15.609 605 HB3 PRO 68 2HB PRO 68 9.107 -10.973 14.411 606 HG2 PRO 68 1HG PRO 68 11.491 -9.205 14.017 607 HG3 PRO 68 2HG PRO 68 10.957 -10.594 13.053 608 HD2 PRO 68 1HD PRO 68 10.492 -8.035 12.301 609 HD3 PRO 68 2HD PRO 68 9.374 -9.360 11.920 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.719 0.367 -1.283 2 HA2 GLY 1 1HA GLY 1 3.163 -0.945 -2.305 3 HA3 GLY 1 2HA GLY 1 1.836 -0.475 -3.358 4 HA PRO 2 HA PRO 2 5.045 2.922 -3.218 5 HB2 PRO 2 1HB PRO 2 5.412 3.054 -5.905 6 HB3 PRO 2 2HB PRO 2 6.334 1.965 -4.862 7 HG2 PRO 2 1HG PRO 2 3.950 1.379 -6.574 8 HG3 PRO 2 2HG PRO 2 5.430 0.427 -6.353 9 HD2 PRO 2 1HD PRO 2 3.111 -0.170 -5.089 10 HD3 PRO 2 2HD PRO 2 4.701 -0.476 -4.362 11 H ARG 3 H ARG 3 2.862 3.875 -2.549 12 HA ARG 3 HA ARG 3 2.294 6.112 -4.109 13 HB2 ARG 3 1HB ARG 3 -0.109 5.471 -4.726 14 HB3 ARG 3 2HB ARG 3 1.183 4.822 -5.727 15 HG2 ARG 3 1HG ARG 3 0.952 2.677 -4.847 16 HG3 ARG 3 2HG ARG 3 0.055 3.253 -3.440 17 HD2 ARG 3 1HD ARG 3 -1.757 3.967 -5.052 18 HD3 ARG 3 2HD ARG 3 -0.886 3.066 -6.293 19 HE ARG 3 HE ARG 3 -1.350 1.434 -4.029 20 HH11 ARG 3 1HH1 ARG 3 -2.974 2.857 -6.760 21 HH12 ARG 3 2HH1 ARG 3 -4.187 1.623 -6.847 22 HH21 ARG 3 1HH2 ARG 3 -2.942 -0.196 -4.133 23 HH22 ARG 3 2HH2 ARG 3 -4.168 -0.112 -5.351 24 H LYS 4 H LYS 4 1.392 7.598 -2.822 25 HA LYS 4 HA LYS 4 0.487 6.773 -0.190 26 HB2 LYS 4 1HB LYS 4 2.069 8.715 -0.622 27 HB3 LYS 4 2HB LYS 4 0.681 9.590 -1.255 28 HG2 LYS 4 1HG LYS 4 1.127 10.193 1.056 29 HG3 LYS 4 2HG LYS 4 -0.440 9.395 0.899 30 HD2 LYS 4 1HD LYS 4 1.530 7.400 1.370 31 HD3 LYS 4 2HD LYS 4 1.754 8.685 2.560 32 HE2 LYS 4 1HE LYS 4 -0.934 8.432 2.610 33 HE3 LYS 4 2HE LYS 4 -0.469 6.778 2.213 34 HZ1 LYS 4 3HZ LYS 4 0.382 6.446 4.244 35 HZ2 LYS 4 1HZ LYS 4 -0.581 7.760 4.701 36 HZ3 LYS 4 2HZ LYS 4 1.056 7.993 4.349 37 H ASN 5 H ASN 5 -0.806 8.297 -3.089 38 HA ASN 5 HA ASN 5 -3.508 7.823 -2.055 39 HB2 ASN 5 1HB ASN 5 -2.759 10.365 -3.506 40 HB3 ASN 5 2HB ASN 5 -4.296 9.981 -2.737 41 HD21 ASN 5 2HD2 ASN 5 -1.969 12.011 -2.395 42 HD22 ASN 5 1HD2 ASN 5 -1.761 12.059 -0.681 43 H ARG 6 H ARG 6 -4.948 8.812 -4.180 44 HA ARG 6 HA ARG 6 -5.004 6.748 -5.983 45 HB2 ARG 6 1HB ARG 6 -6.158 8.414 -7.533 46 HB3 ARG 6 2HB ARG 6 -6.867 8.189 -5.940 47 HG2 ARG 6 1HG ARG 6 -5.096 10.263 -5.557 48 HG3 ARG 6 2HG ARG 6 -5.756 10.571 -7.164 49 HD2 ARG 6 1HD ARG 6 -7.595 9.856 -4.923 50 HD3 ARG 6 2HD ARG 6 -6.962 11.498 -5.038 51 HE ARG 6 HE ARG 6 -8.027 10.668 -7.525 52 HH11 ARG 6 1HH1 ARG 6 -8.978 11.702 -4.340 53 HH12 ARG 6 2HH1 ARG 6 -10.495 12.355 -4.862 54 HH21 ARG 6 1HH2 ARG 6 -10.022 11.525 -8.226 55 HH22 ARG 6 2HH2 ARG 6 -11.088 12.253 -7.073 56 H ARG 7 H ARG 7 -3.413 9.902 -6.441 57 HA ARG 7 HA ARG 7 -2.354 9.374 -8.981 58 HB2 ARG 7 1HB ARG 7 -1.827 11.332 -6.818 59 HB3 ARG 7 2HB ARG 7 -0.541 11.104 -7.996 60 HG2 ARG 7 1HG ARG 7 -2.544 11.396 -9.699 61 HG3 ARG 7 2HG ARG 7 -3.244 12.272 -8.335 62 HD2 ARG 7 1HD ARG 7 -1.235 13.678 -8.225 63 HD3 ARG 7 2HD ARG 7 -0.564 12.814 -9.608 64 HE ARG 7 HE ARG 7 -3.131 13.938 -10.165 65 HH11 ARG 7 1HH1 ARG 7 0.271 14.646 -9.951 66 HH12 ARG 7 2HH1 ARG 7 0.195 15.979 -11.057 67 HH21 ARG 7 1HH2 ARG 7 -3.243 15.690 -11.621 68 HH22 ARG 7 2HH2 ARG 7 -1.804 16.572 -12.005 69 H GLU 8 H GLU 8 -0.109 9.001 -9.572 70 HA GLU 8 HA GLU 8 1.877 8.109 -7.833 71 HB2 GLU 8 1HB GLU 8 1.752 5.629 -8.408 72 HB3 GLU 8 2HB GLU 8 0.596 6.226 -7.227 73 HG2 GLU 8 1HG GLU 8 -1.155 6.252 -8.863 74 HG3 GLU 8 2HG GLU 8 -0.018 5.842 -10.146 75 H ARG 9 H ARG 9 3.726 7.194 -8.946 76 HA ARG 9 HA ARG 9 4.253 8.399 -11.399 77 HB2 ARG 9 1HB ARG 9 5.809 7.267 -9.562 78 HB3 ARG 9 2HB ARG 9 5.730 5.913 -10.681 79 HG2 ARG 9 1HG ARG 9 6.399 8.607 -11.748 80 HG3 ARG 9 2HG ARG 9 7.628 7.713 -10.852 81 HD2 ARG 9 1HD ARG 9 8.096 6.730 -12.805 82 HD3 ARG 9 2HD ARG 9 6.617 5.807 -12.542 83 HE ARG 9 HE ARG 9 5.729 8.044 -13.769 84 HH11 ARG 9 1HH1 ARG 9 8.237 5.749 -14.519 85 HH12 ARG 9 2HH1 ARG 9 8.093 5.955 -16.233 86 HH21 ARG 9 1HH2 ARG 9 5.530 8.324 -16.024 87 HH22 ARG 9 2HH2 ARG 9 6.554 7.420 -17.088 88 H THR 10 H THR 10 3.023 5.196 -10.651 89 HA THR 10 HA THR 10 1.815 4.853 -13.163 90 HB THR 10 HB THR 10 4.253 4.556 -13.808 91 HG1 THR 10 HG1 THR 10 3.706 2.582 -15.020 92 HG21 THR 10 3HG2 THR 10 4.110 1.786 -12.747 93 HG22 THR 10 1HG2 THR 10 4.518 3.071 -11.611 94 HG23 THR 10 2HG2 THR 10 5.513 2.812 -13.045 95 H THR 11 H THR 11 1.598 2.200 -13.467 96 HA THR 11 HA THR 11 -0.223 1.376 -11.590 97 HB THR 11 HB THR 11 0.207 -0.960 -12.375 98 HG1 THR 11 HG1 THR 11 2.102 0.175 -14.152 99 HG21 THR 11 3HG2 THR 11 -0.035 1.203 -14.466 100 HG22 THR 11 1HG2 THR 11 -1.349 0.397 -13.610 101 HG23 THR 11 2HG2 THR 11 -0.363 -0.504 -14.762 102 H TYR 12 H TYR 12 3.197 0.373 -11.743 103 HA TYR 12 HA TYR 12 3.409 0.349 -8.883 104 HB2 TYR 12 1HB TYR 12 3.027 -2.185 -10.399 105 HB3 TYR 12 2HB TYR 12 4.217 -2.185 -9.102 106 HD1 TYR 12 HD2 TYR 12 3.393 -1.263 -6.803 107 HD2 TYR 12 HD1 TYR 12 0.798 -2.594 -9.901 108 HE1 TYR 12 HE2 TYR 12 1.599 -1.591 -5.152 109 HE2 TYR 12 HE1 TYR 12 -1.003 -2.924 -8.259 110 HH TYR 12 HH TYR 12 -0.643 -3.258 -5.177 111 H SER 13 H SER 13 5.259 1.462 -8.814 112 HA SER 13 HA SER 13 7.608 0.288 -10.115 113 HB2 SER 13 1HB SER 13 6.480 2.991 -10.585 114 HB3 SER 13 2HB SER 13 8.230 2.899 -10.387 115 HG SER 13 HG SER 13 6.806 1.212 -12.156 116 H ARG 14 H ARG 14 9.650 1.039 -9.189 117 HA ARG 14 HA ARG 14 9.448 1.234 -6.320 118 HB2 ARG 14 1HB ARG 14 11.889 1.018 -6.347 119 HB3 ARG 14 2HB ARG 14 11.129 -0.220 -7.339 120 HG2 ARG 14 1HG ARG 14 11.869 2.218 -8.787 121 HG3 ARG 14 2HG ARG 14 13.225 1.314 -8.109 122 HD2 ARG 14 1HD ARG 14 11.851 -0.717 -9.168 123 HD3 ARG 14 2HD ARG 14 11.315 0.570 -10.247 124 HE ARG 14 HE ARG 14 13.400 0.600 -11.189 125 HH11 ARG 14 1HH1 ARG 14 13.542 -1.109 -8.159 126 HH12 ARG 14 2HH1 ARG 14 15.172 -1.649 -8.390 127 HH21 ARG 14 1HH2 ARG 14 15.546 -0.104 -11.505 128 HH22 ARG 14 2HH2 ARG 14 16.312 -1.076 -10.293 129 H GLN 15 H GLN 15 9.830 3.405 -8.934 130 HA GLN 15 HA GLN 15 11.374 5.448 -7.932 131 HB2 GLN 15 1HB GLN 15 8.852 5.619 -9.586 132 HB3 GLN 15 2HB GLN 15 9.932 6.978 -9.301 133 HG2 GLN 15 1HG GLN 15 10.697 6.262 -11.321 134 HG3 GLN 15 2HG GLN 15 11.740 5.334 -10.245 135 HE21 GLN 15 2HE2 GLN 15 9.336 5.222 -12.661 136 HE22 GLN 15 1HE2 GLN 15 9.182 3.504 -12.754 137 H GLN 16 H GLN 16 7.874 4.996 -7.458 138 HA GLN 16 HA GLN 16 7.381 7.224 -5.884 139 HB2 GLN 16 1HB GLN 16 5.990 4.860 -6.629 140 HB3 GLN 16 2HB GLN 16 5.822 5.047 -4.888 141 HG2 GLN 16 1HG GLN 16 5.342 7.400 -6.646 142 HG3 GLN 16 2HG GLN 16 4.112 6.142 -6.534 143 HE21 GLN 16 2HE2 GLN 16 3.309 8.495 -5.732 144 HE22 GLN 16 1HE2 GLN 16 3.242 8.617 -4.010 145 H LEU 17 H LEU 17 8.800 4.142 -5.025 146 HA LEU 17 HA LEU 17 8.782 4.782 -2.188 147 HB2 LEU 17 1HB LEU 17 9.850 2.416 -3.717 148 HB3 LEU 17 2HB LEU 17 9.934 2.585 -1.965 149 HG LEU 17 HG LEU 17 7.264 2.743 -3.273 150 HD11 LEU 17 1HD1 LEU 17 8.792 0.184 -2.820 151 HD12 LEU 17 2HD1 LEU 17 8.230 0.821 -4.366 152 HD13 LEU 17 3HD1 LEU 17 7.063 0.288 -3.156 153 HD21 LEU 17 3HD2 LEU 17 7.290 3.121 -0.939 154 HD22 LEU 17 1HD2 LEU 17 8.361 1.749 -0.654 155 HD23 LEU 17 2HD2 LEU 17 6.695 1.475 -1.163 156 H GLU 18 H GLU 18 10.740 5.374 -4.856 157 HA GLU 18 HA GLU 18 13.300 5.222 -3.606 158 HB2 GLU 18 1HB GLU 18 12.302 6.556 -6.116 159 HB3 GLU 18 2HB GLU 18 13.972 6.697 -5.585 160 HG2 GLU 18 1HG GLU 18 12.840 3.971 -5.773 161 HG3 GLU 18 2HG GLU 18 13.153 4.827 -7.282 162 H ILE 19 H ILE 19 10.961 7.811 -4.164 163 HA ILE 19 HA ILE 19 12.341 10.053 -3.489 164 HB ILE 19 HB ILE 19 9.576 9.431 -2.447 165 HG12 ILE 19 1HG1 ILE 19 9.458 11.012 -4.782 166 HG13 ILE 19 2HG1 ILE 19 10.555 9.683 -5.143 167 HG21 ILE 19 1HG2 ILE 19 9.360 11.602 -1.909 168 HG22 ILE 19 2HG2 ILE 19 11.122 11.583 -1.879 169 HG23 ILE 19 3HG2 ILE 19 10.270 12.147 -3.317 170 HD11 ILE 19 3HD1 ILE 19 7.939 9.100 -3.849 171 HD12 ILE 19 1HD1 ILE 19 7.998 9.453 -5.576 172 HD13 ILE 19 2HD1 ILE 19 8.917 8.097 -4.920 173 H LEU 20 H LEU 20 11.102 7.602 -1.274 174 HA LEU 20 HA LEU 20 12.174 9.057 1.019 175 HB2 LEU 20 1HB LEU 20 11.000 6.380 1.392 176 HB3 LEU 20 2HB LEU 20 10.773 7.858 2.324 177 HG LEU 20 HG LEU 20 8.668 7.344 1.407 178 HD11 LEU 20 1HD1 LEU 20 9.697 9.719 1.048 179 HD12 LEU 20 2HD1 LEU 20 8.146 9.298 0.322 180 HD13 LEU 20 3HD1 LEU 20 9.613 9.276 -0.657 181 HD21 LEU 20 3HD2 LEU 20 8.362 6.177 -0.461 182 HD22 LEU 20 1HD2 LEU 20 10.117 6.056 -0.585 183 HD23 LEU 20 2HD2 LEU 20 9.262 7.351 -1.422 184 H GLU 21 H GLU 21 12.311 5.681 -0.139 185 HA GLU 21 HA GLU 21 14.344 4.716 1.380 186 HB2 GLU 21 1HB GLU 21 12.986 3.788 -0.784 187 HB3 GLU 21 2HB GLU 21 14.591 3.997 -1.470 188 HG2 GLU 21 1HG GLU 21 13.875 2.343 0.939 189 HG3 GLU 21 2HG GLU 21 14.312 1.743 -0.659 190 H THR 22 H THR 22 14.590 7.007 -1.225 191 HA THR 22 HA THR 22 17.501 6.849 -1.267 192 HB THR 22 HB THR 22 15.698 8.698 -2.839 193 HG1 THR 22 HG1 THR 22 16.508 6.048 -3.238 194 HG21 THR 22 3HG2 THR 22 17.782 9.658 -3.022 195 HG22 THR 22 1HG2 THR 22 17.834 8.516 -4.364 196 HG23 THR 22 2HG2 THR 22 18.626 8.121 -2.838 197 H LEU 23 H LEU 23 14.991 9.304 -0.661 198 HA LEU 23 HA LEU 23 16.881 11.214 0.336 199 HB2 LEU 23 1HB LEU 23 14.677 11.731 -0.785 200 HB3 LEU 23 2HB LEU 23 13.896 11.240 0.717 201 HG LEU 23 HG LEU 23 15.933 13.450 0.623 202 HD11 LEU 23 1HD1 LEU 23 14.425 14.458 -0.742 203 HD12 LEU 23 2HD1 LEU 23 13.664 14.816 0.808 204 HD13 LEU 23 3HD1 LEU 23 13.078 13.472 -0.172 205 HD21 LEU 23 3HD2 LEU 23 14.042 13.922 2.584 206 HD22 LEU 23 1HD2 LEU 23 15.664 13.274 2.827 207 HD23 LEU 23 2HD2 LEU 23 14.294 12.177 2.649 208 H PHE 24 H PHE 24 14.101 9.651 1.939 209 HA PHE 24 HA PHE 24 14.620 10.307 4.527 210 HB2 PHE 24 1HB PHE 24 12.625 9.099 4.003 211 HB3 PHE 24 2HB PHE 24 13.542 7.718 3.412 212 HD1 PHE 24 HD1 PHE 24 12.605 9.610 6.437 213 HD2 PHE 24 HD2 PHE 24 14.287 6.025 4.876 214 HE1 PHE 24 HE1 PHE 24 12.494 8.588 8.673 215 HE2 PHE 24 HE2 PHE 24 14.178 4.998 7.109 216 HZ PHE 24 HZ PHE 24 13.280 6.279 9.011 217 H ASN 25 H ASN 25 16.207 7.824 2.616 218 HA ASN 25 HA ASN 25 17.692 6.754 4.831 219 HB2 ASN 25 1HB ASN 25 17.042 5.476 2.737 220 HB3 ASN 25 2HB ASN 25 18.296 6.382 1.896 221 HD21 ASN 25 2HD2 ASN 25 17.914 3.486 2.647 222 HD22 ASN 25 1HD2 ASN 25 19.407 3.043 3.396 223 H GLU 26 H GLU 26 18.379 8.924 2.117 224 HA GLU 26 HA GLU 26 21.105 9.249 2.440 225 HB2 GLU 26 1HB GLU 26 19.849 10.189 0.558 226 HB3 GLU 26 2HB GLU 26 19.077 11.342 1.638 227 HG2 GLU 26 1HG GLU 26 20.866 12.383 0.374 228 HG3 GLU 26 2HG GLU 26 21.229 12.376 2.099 229 H THR 27 H THR 27 18.480 11.064 4.003 230 HA THR 27 HA THR 27 19.805 11.367 6.448 231 HB THR 27 HB THR 27 19.865 14.079 5.887 232 HG1 THR 27 HG1 THR 27 19.931 13.938 3.709 233 HG21 THR 27 3HG2 THR 27 22.010 13.929 6.630 234 HG22 THR 27 1HG2 THR 27 22.396 12.568 5.578 235 HG23 THR 27 2HG2 THR 27 21.486 12.303 7.066 236 H GLN 28 H GLN 28 18.758 13.195 7.791 237 HA GLN 28 HA GLN 28 15.888 13.146 7.200 238 HB2 GLN 28 1HB GLN 28 17.441 13.561 9.749 239 HB3 GLN 28 2HB GLN 28 15.715 13.877 9.638 240 HG2 GLN 28 1HG GLN 28 15.328 11.551 9.002 241 HG3 GLN 28 2HG GLN 28 17.058 11.234 9.119 242 HE21 GLN 28 2HE2 GLN 28 18.011 11.911 11.293 243 HE22 GLN 28 1HE2 GLN 28 17.105 11.453 12.690 244 H TYR 29 H TYR 29 17.315 14.942 5.683 245 HA TYR 29 HA TYR 29 16.697 17.541 6.922 246 HB2 TYR 29 1HB TYR 29 18.728 16.754 4.841 247 HB3 TYR 29 2HB TYR 29 18.240 18.430 5.073 248 HD1 TYR 29 HD2 TYR 29 19.287 15.542 7.215 249 HD2 TYR 29 HD1 TYR 29 19.643 19.698 6.380 250 HE1 TYR 29 HE2 TYR 29 20.927 15.760 9.034 251 HE2 TYR 29 HE1 TYR 29 21.286 19.928 8.196 252 HH TYR 29 HH TYR 29 21.691 18.333 10.523 253 HA PRO 30 HA PRO 30 13.528 16.931 3.612 254 HB2 PRO 30 1HB PRO 30 11.502 18.030 5.046 255 HB3 PRO 30 2HB PRO 30 11.957 16.327 5.175 256 HG2 PRO 30 1HG PRO 30 12.667 18.617 6.967 257 HG3 PRO 30 2HG PRO 30 12.167 16.972 7.399 258 HD2 PRO 30 1HD PRO 30 14.756 17.764 7.432 259 HD3 PRO 30 2HD PRO 30 14.271 16.103 7.037 260 H ASP 31 H ASP 31 14.981 18.623 2.648 261 HA ASP 31 HA ASP 31 13.666 21.254 2.796 262 HB2 ASP 31 1HB ASP 31 16.554 20.565 2.963 263 HB3 ASP 31 2HB ASP 31 16.122 22.002 2.041 264 H VAL 32 H VAL 32 14.409 22.615 0.792 265 HA VAL 32 HA VAL 32 13.286 21.520 -1.480 266 HB VAL 32 HB VAL 32 14.511 23.328 -2.745 267 HG11 VAL 32 1HG1 VAL 32 12.402 23.972 -2.072 268 HG12 VAL 32 2HG1 VAL 32 12.789 23.826 -0.357 269 HG13 VAL 32 3HG1 VAL 32 13.408 25.190 -1.289 270 HG21 VAL 32 3HG2 VAL 32 15.657 23.817 -0.004 271 HG22 VAL 32 1HG2 VAL 32 16.528 23.530 -1.511 272 HG23 VAL 32 2HG2 VAL 32 15.642 25.037 -1.278 273 H PHE 33 H PHE 33 16.715 21.695 -0.588 274 HA PHE 33 HA PHE 33 17.824 20.676 -2.922 275 HB2 PHE 33 1HB PHE 33 18.669 21.026 -0.148 276 HB3 PHE 33 2HB PHE 33 19.427 19.637 -0.920 277 HD1 PHE 33 HD2 PHE 33 18.868 23.280 -1.250 278 HD2 PHE 33 HD1 PHE 33 21.181 19.913 -2.445 279 HE1 PHE 33 HE2 PHE 33 20.471 24.780 -2.359 280 HE2 PHE 33 HE1 PHE 33 22.789 21.408 -3.556 281 HZ PHE 33 HZ PHE 33 22.435 23.845 -3.515 282 H ALA 34 H ALA 34 16.008 19.087 -0.458 283 HA ALA 34 HA ALA 34 16.877 16.428 -1.232 284 HB1 ALA 34 1HB ALA 34 16.071 17.365 1.131 285 HB2 ALA 34 2HB ALA 34 14.520 16.786 0.523 286 HB3 ALA 34 3HB ALA 34 15.883 15.675 0.662 287 H ARG 35 H ARG 35 13.665 17.972 -0.988 288 HA ARG 35 HA ARG 35 12.288 16.119 -2.530 289 HB2 ARG 35 1HB ARG 35 10.618 17.944 -2.883 290 HB3 ARG 35 2HB ARG 35 11.084 17.716 -1.203 291 HG2 ARG 35 1HG ARG 35 12.676 19.619 -1.464 292 HG3 ARG 35 2HG ARG 35 11.990 19.896 -3.066 293 HD2 ARG 35 1HD ARG 35 10.306 21.039 -2.179 294 HD3 ARG 35 2HD ARG 35 9.868 19.660 -1.173 295 HE ARG 35 HE ARG 35 11.925 20.741 0.183 296 HH11 ARG 35 1HH1 ARG 35 9.017 22.101 -1.163 297 HH12 ARG 35 2HH1 ARG 35 8.892 23.350 0.032 298 HH21 ARG 35 1HH2 ARG 35 11.772 22.381 1.762 299 HH22 ARG 35 2HH2 ARG 35 10.461 23.508 1.694 300 H GLU 36 H GLU 36 13.887 19.123 -3.536 301 HA GLU 36 HA GLU 36 13.143 19.026 -6.241 302 HB2 GLU 36 1HB GLU 36 14.093 21.022 -5.123 303 HB3 GLU 36 2HB GLU 36 15.653 20.214 -5.046 304 HG2 GLU 36 1HG GLU 36 16.053 20.461 -7.279 305 HG3 GLU 36 2HG GLU 36 14.340 20.497 -7.695 306 H ARG 37 H ARG 37 15.529 17.285 -4.448 307 HA ARG 37 HA ARG 37 17.102 16.502 -6.720 308 HB2 ARG 37 1HB ARG 37 18.070 16.631 -4.460 309 HB3 ARG 37 2HB ARG 37 16.998 15.343 -3.929 310 HG2 ARG 37 1HG ARG 37 18.141 14.063 -5.946 311 HG3 ARG 37 2HG ARG 37 19.434 15.216 -5.610 312 HD2 ARG 37 1HD ARG 37 19.516 14.490 -3.297 313 HD3 ARG 37 2HD ARG 37 18.161 13.395 -3.571 314 HE ARG 37 HE ARG 37 19.633 11.882 -4.428 315 HH11 ARG 37 1HH1 ARG 37 21.093 15.040 -4.547 316 HH12 ARG 37 2HH1 ARG 37 22.627 14.453 -5.099 317 HH21 ARG 37 1HH2 ARG 37 21.648 11.097 -5.154 318 HH22 ARG 37 2HH2 ARG 37 22.941 12.210 -5.445 319 H VAL 38 H VAL 38 15.101 14.587 -4.466 320 HA VAL 38 HA VAL 38 15.008 12.251 -5.946 321 HB VAL 38 HB VAL 38 12.763 11.869 -4.780 322 HG11 VAL 38 1HG1 VAL 38 15.140 12.575 -3.062 323 HG12 VAL 38 2HG1 VAL 38 13.823 11.479 -2.637 324 HG13 VAL 38 3HG1 VAL 38 14.935 11.060 -3.941 325 HG21 VAL 38 3HG2 VAL 38 11.957 13.397 -3.232 326 HG22 VAL 38 1HG2 VAL 38 13.488 14.267 -3.144 327 HG23 VAL 38 2HG2 VAL 38 12.460 14.434 -4.567 328 H ALA 39 H ALA 39 13.291 15.229 -6.420 329 HA ALA 39 HA ALA 39 11.112 14.382 -7.929 330 HB1 ALA 39 1HB ALA 39 12.135 16.826 -9.009 331 HB2 ALA 39 2HB ALA 39 10.721 16.564 -7.987 332 HB3 ALA 39 3HB ALA 39 12.301 16.839 -7.253 333 H ASP 40 H ASP 40 14.477 14.681 -8.792 334 HA ASP 40 HA ASP 40 13.969 14.385 -11.628 335 HB2 ASP 40 1HB ASP 40 15.901 15.709 -10.531 336 HB3 ASP 40 2HB ASP 40 16.665 14.136 -10.317 337 H GLN 41 H GLN 41 14.354 12.349 -8.938 338 HA GLN 41 HA GLN 41 15.485 10.109 -10.341 339 HB2 GLN 41 1HB GLN 41 14.225 10.406 -7.617 340 HB3 GLN 41 2HB GLN 41 14.817 8.868 -8.229 341 HG2 GLN 41 1HG GLN 41 16.613 11.251 -8.180 342 HG3 GLN 41 2HG GLN 41 16.328 10.320 -6.711 343 HE21 GLN 41 2HE2 GLN 41 18.769 10.686 -8.287 344 HE22 GLN 41 1HE2 GLN 41 19.294 9.098 -8.720 345 H ILE 42 H ILE 42 12.274 10.841 -8.984 346 HA ILE 42 HA ILE 42 11.127 8.594 -10.439 347 HB ILE 42 HB ILE 42 9.186 8.854 -9.161 348 HG12 ILE 42 1HG1 ILE 42 10.129 11.620 -8.373 349 HG13 ILE 42 2HG1 ILE 42 8.911 11.284 -9.599 350 HG21 ILE 42 1HG2 ILE 42 11.330 9.823 -7.284 351 HG22 ILE 42 2HG2 ILE 42 9.927 8.826 -6.902 352 HG23 ILE 42 3HG2 ILE 42 11.236 8.168 -7.885 353 HD11 ILE 42 3HD1 ILE 42 8.737 11.092 -6.643 354 HD12 ILE 42 1HD1 ILE 42 7.585 11.745 -7.808 355 HD13 ILE 42 2HD1 ILE 42 7.756 9.999 -7.620 356 H ARG 43 H ARG 43 11.834 11.755 -11.101 357 HA ARG 43 HA ARG 43 11.275 13.152 -12.809 358 HB2 ARG 43 1HB ARG 43 11.165 10.916 -14.050 359 HB3 ARG 43 2HB ARG 43 9.422 11.016 -13.845 360 HG2 ARG 43 1HG ARG 43 9.971 11.834 -16.015 361 HG3 ARG 43 2HG ARG 43 9.470 13.205 -15.023 362 HD2 ARG 43 1HD ARG 43 11.713 13.926 -14.737 363 HD3 ARG 43 2HD ARG 43 12.350 12.426 -15.409 364 HE ARG 43 HE ARG 43 10.759 13.663 -17.350 365 HH11 ARG 43 1HH1 ARG 43 13.764 14.163 -15.666 366 HH12 ARG 43 2HH1 ARG 43 14.494 15.050 -16.963 367 HH21 ARG 43 1HH2 ARG 43 11.708 14.830 -19.065 368 HH22 ARG 43 2HH2 ARG 43 13.323 15.430 -18.895 369 H LEU 44 H LEU 44 10.141 14.062 -10.775 370 HA LEU 44 HA LEU 44 7.423 14.738 -11.574 371 HB2 LEU 44 1HB LEU 44 7.341 12.795 -9.972 372 HB3 LEU 44 2HB LEU 44 8.028 13.870 -8.756 373 HG LEU 44 HG LEU 44 6.058 15.278 -8.842 374 HD11 LEU 44 1HD1 LEU 44 5.104 13.368 -10.968 375 HD12 LEU 44 2HD1 LEU 44 5.471 15.081 -11.166 376 HD13 LEU 44 3HD1 LEU 44 4.097 14.582 -10.179 377 HD21 LEU 44 3HD2 LEU 44 5.068 12.450 -8.661 378 HD22 LEU 44 1HD2 LEU 44 4.580 13.857 -7.715 379 HD23 LEU 44 2HD2 LEU 44 6.166 13.129 -7.459 380 H GLN 45 H GLN 45 6.551 16.552 -10.200 381 HA GLN 45 HA GLN 45 8.277 18.730 -10.244 382 HB2 GLN 45 1HB GLN 45 5.550 18.234 -9.540 383 HB3 GLN 45 2HB GLN 45 6.274 19.253 -8.303 384 HG2 GLN 45 1HG GLN 45 6.119 19.801 -11.254 385 HG3 GLN 45 2HG GLN 45 5.281 20.653 -9.958 386 HE21 GLN 45 2HE2 GLN 45 6.842 21.540 -8.247 387 HE22 GLN 45 1HE2 GLN 45 8.229 22.367 -8.859 388 H GLU 46 H GLU 46 9.125 20.029 -8.509 389 HA GLU 46 HA GLU 46 10.496 18.470 -6.558 390 HB2 GLU 46 1HB GLU 46 10.269 21.479 -6.661 391 HB3 GLU 46 2HB GLU 46 11.522 20.534 -5.869 392 HG2 GLU 46 1HG GLU 46 12.449 19.855 -7.930 393 HG3 GLU 46 2HG GLU 46 11.053 20.441 -8.832 394 H SER 47 H SER 47 8.007 21.005 -6.311 395 HA SER 47 HA SER 47 7.677 20.650 -3.493 396 HB2 SER 47 1HB SER 47 7.204 22.796 -4.659 397 HB3 SER 47 2HB SER 47 5.831 22.030 -5.458 398 HG SER 47 HG SER 47 4.708 22.217 -3.687 399 H ARG 48 H ARG 48 6.280 19.245 -6.339 400 HA ARG 48 HA ARG 48 3.913 18.231 -5.125 401 HB2 ARG 48 1HB ARG 48 4.172 18.537 -7.569 402 HB3 ARG 48 2HB ARG 48 5.363 17.242 -7.586 403 HG2 ARG 48 1HG ARG 48 3.354 16.271 -8.311 404 HG3 ARG 48 2HG ARG 48 3.554 15.749 -6.637 405 HD2 ARG 48 1HD ARG 48 1.247 16.440 -7.126 406 HD3 ARG 48 2HD ARG 48 1.997 17.450 -5.891 407 HE ARG 48 HE ARG 48 2.322 18.597 -8.462 408 HH11 ARG 48 1HH1 ARG 48 -0.037 18.082 -5.954 409 HH12 ARG 48 2HH1 ARG 48 -0.977 19.476 -6.371 410 HH21 ARG 48 1HH2 ARG 48 1.093 20.436 -9.020 411 HH22 ARG 48 2HH2 ARG 48 -0.333 20.815 -8.116 412 H ILE 49 H ILE 49 7.059 16.772 -5.914 413 HA ILE 49 HA ILE 49 6.578 14.187 -5.052 414 HB ILE 49 HB ILE 49 8.742 15.413 -6.065 415 HG12 ILE 49 1HG1 ILE 49 8.789 12.859 -4.443 416 HG13 ILE 49 2HG1 ILE 49 8.257 13.001 -6.114 417 HG21 ILE 49 1HG2 ILE 49 9.128 16.404 -3.738 418 HG22 ILE 49 2HG2 ILE 49 9.652 14.786 -3.277 419 HG23 ILE 49 3HG2 ILE 49 10.505 15.660 -4.549 420 HD11 ILE 49 3HD1 ILE 49 10.330 12.818 -6.864 421 HD12 ILE 49 1HD1 ILE 49 10.910 14.072 -5.768 422 HD13 ILE 49 2HD1 ILE 49 10.806 12.399 -5.219 423 H GLN 50 H GLN 50 6.919 17.067 -3.195 424 HA GLN 50 HA GLN 50 7.783 16.013 -0.746 425 HB2 GLN 50 1HB GLN 50 6.948 18.511 -1.716 426 HB3 GLN 50 2HB GLN 50 5.871 18.146 -0.375 427 HG2 GLN 50 1HG GLN 50 7.814 17.771 1.070 428 HG3 GLN 50 2HG GLN 50 8.879 18.177 -0.275 429 HE21 GLN 50 2HE2 GLN 50 9.033 19.544 2.083 430 HE22 GLN 50 1HE2 GLN 50 8.461 21.160 1.863 431 H VAL 51 H VAL 51 4.724 15.867 -2.352 432 HA VAL 51 HA VAL 51 3.175 15.229 -0.023 433 HB VAL 51 HB VAL 51 1.344 14.877 -1.473 434 HG11 VAL 51 1HG1 VAL 51 1.165 16.998 -2.154 435 HG12 VAL 51 2HG1 VAL 51 2.811 17.199 -1.549 436 HG13 VAL 51 3HG1 VAL 51 2.534 16.850 -3.256 437 HG21 VAL 51 3HG2 VAL 51 1.918 14.907 -4.053 438 HG22 VAL 51 1HG2 VAL 51 3.446 14.241 -3.476 439 HG23 VAL 51 2HG2 VAL 51 1.932 13.408 -3.124 440 H TRP 52 H TRP 52 4.884 13.423 -2.498 441 HA TRP 52 HA TRP 52 3.840 10.881 -1.579 442 HB2 TRP 52 1HB TRP 52 6.053 11.401 -3.574 443 HB3 TRP 52 2HB TRP 52 5.165 9.896 -3.346 444 HD1 TRP 52 HD1 TRP 52 5.336 12.365 -5.830 445 HE1 TRP 52 HE1 TRP 52 3.099 12.760 -7.041 446 HE3 TRP 52 HE3 TRP 52 2.185 10.173 -2.452 447 HZ2 TRP 52 HZ2 TRP 52 0.362 12.215 -6.620 448 HZ3 TRP 52 HZ3 TRP 52 -0.228 10.153 -2.931 449 HH2 TRP 52 HH2 TRP 52 -1.119 11.154 -4.972 450 H PHE 53 H PHE 53 6.418 12.958 -0.805 451 HA PHE 53 HA PHE 53 8.454 11.208 -0.080 452 HB2 PHE 53 1HB PHE 53 8.845 13.585 -0.112 453 HB3 PHE 53 2HB PHE 53 7.634 13.849 1.139 454 HD1 PHE 53 HD2 PHE 53 10.645 11.679 0.706 455 HD2 PHE 53 HD1 PHE 53 8.498 14.397 3.181 456 HE1 PHE 53 HE2 PHE 53 12.389 11.483 2.430 457 HE2 PHE 53 HE1 PHE 53 10.240 14.206 4.908 458 HZ PHE 53 HZ PHE 53 12.188 12.746 4.534 459 H LYS 54 H LYS 54 5.375 11.688 1.334 460 HA LYS 54 HA LYS 54 6.127 10.590 3.915 461 HB2 LYS 54 1HB LYS 54 4.282 12.392 3.349 462 HB3 LYS 54 2HB LYS 54 3.283 10.970 3.078 463 HG2 LYS 54 1HG LYS 54 4.587 10.534 5.518 464 HG3 LYS 54 2HG LYS 54 4.048 12.215 5.543 465 HD2 LYS 54 1HD LYS 54 1.790 11.353 4.775 466 HD3 LYS 54 2HD LYS 54 2.391 9.734 5.140 467 HE2 LYS 54 1HE LYS 54 1.838 10.028 7.269 468 HE3 LYS 54 2HE LYS 54 2.980 11.367 7.369 469 HZ1 LYS 54 3HZ LYS 54 1.164 12.803 6.475 470 HZ2 LYS 54 1HZ LYS 54 0.870 12.180 8.021 471 HZ3 LYS 54 2HZ LYS 54 0.100 11.503 6.676 472 H ASN 55 H ASN 55 5.114 9.449 0.877 473 HA ASN 55 HA ASN 55 3.508 7.315 1.248 474 HB2 ASN 55 1HB ASN 55 4.288 7.698 -0.946 475 HB3 ASN 55 2HB ASN 55 5.976 7.573 -0.459 476 HD21 ASN 55 2HD2 ASN 55 3.121 5.520 0.020 477 HD22 ASN 55 1HD2 ASN 55 3.836 4.085 -0.622 478 H ARG 56 H ARG 56 7.035 6.807 1.252 479 HA ARG 56 HA ARG 56 6.703 4.446 2.897 480 HB2 ARG 56 1HB ARG 56 8.371 4.875 0.896 481 HB3 ARG 56 2HB ARG 56 9.383 5.546 2.167 482 HG2 ARG 56 1HG ARG 56 8.386 3.054 3.077 483 HG3 ARG 56 2HG ARG 56 9.013 2.833 1.442 484 HD2 ARG 56 1HD ARG 56 11.155 3.361 2.044 485 HD3 ARG 56 2HD ARG 56 10.640 4.410 3.363 486 HE ARG 56 HE ARG 56 9.946 1.781 4.010 487 HH11 ARG 56 1HH1 ARG 56 12.791 3.733 3.550 488 HH12 ARG 56 2HH1 ARG 56 13.760 2.813 4.654 489 HH21 ARG 56 1HH2 ARG 56 11.210 0.562 5.466 490 HH22 ARG 56 2HH2 ARG 56 12.860 1.009 5.742 491 H ARG 57 H ARG 57 8.101 7.675 3.173 492 HA ARG 57 HA ARG 57 9.458 7.499 5.550 493 HB2 ARG 57 1HB ARG 57 9.485 9.539 4.281 494 HB3 ARG 57 2HB ARG 57 7.753 9.754 4.493 495 HG2 ARG 57 1HG ARG 57 9.313 9.582 6.979 496 HG3 ARG 57 2HG ARG 57 9.628 10.997 5.972 497 HD2 ARG 57 1HD ARG 57 7.014 11.127 5.873 498 HD3 ARG 57 2HD ARG 57 7.114 10.158 7.343 499 HE ARG 57 HE ARG 57 8.820 12.421 7.494 500 HH11 ARG 57 1HH1 ARG 57 5.482 11.455 7.703 501 HH12 ARG 57 2HH1 ARG 57 5.032 12.765 8.743 502 HH21 ARG 57 1HH2 ARG 57 8.241 14.151 8.863 503 HH22 ARG 57 2HH2 ARG 57 6.602 14.299 9.402 504 H ALA 58 H ALA 58 6.019 7.460 5.025 505 HA ALA 58 HA ALA 58 5.419 7.792 7.850 506 HB1 ALA 58 1HB ALA 58 3.059 7.539 7.116 507 HB2 ALA 58 2HB ALA 58 3.916 8.851 6.307 508 HB3 ALA 58 3HB ALA 58 3.638 7.328 5.463 509 H LYS 59 H LYS 59 5.524 5.257 5.422 510 HA LYS 59 HA LYS 59 4.179 3.230 6.777 511 HB2 LYS 59 1HB LYS 59 6.047 3.420 4.542 512 HB3 LYS 59 2HB LYS 59 6.219 1.918 5.441 513 HG2 LYS 59 1HG LYS 59 4.679 1.506 3.697 514 HG3 LYS 59 2HG LYS 59 3.742 1.600 5.190 515 HD2 LYS 59 1HD LYS 59 3.598 4.159 4.462 516 HD3 LYS 59 2HD LYS 59 3.813 3.441 2.864 517 HE2 LYS 59 1HE LYS 59 1.807 2.242 4.708 518 HE3 LYS 59 2HE LYS 59 1.416 3.769 3.919 519 HZ1 LYS 59 3HZ LYS 59 2.191 2.509 1.806 520 HZ2 LYS 59 1HZ LYS 59 0.635 2.245 2.416 521 HZ3 LYS 59 2HZ LYS 59 1.864 1.124 2.721 522 H TYR 60 H TYR 60 7.235 4.662 7.414 523 HA TYR 60 HA TYR 60 8.671 2.659 8.643 524 HB2 TYR 60 1HB TYR 60 10.005 4.318 9.492 525 HB3 TYR 60 2HB TYR 60 9.132 5.253 8.283 526 HD1 TYR 60 HD1 TYR 60 6.902 6.369 9.151 527 HD2 TYR 60 HD2 TYR 60 10.115 5.134 11.652 528 HE1 TYR 60 HE1 TYR 60 6.129 7.916 10.900 529 HE2 TYR 60 HE2 TYR 60 9.350 6.676 13.408 530 HH TYR 60 HH TYR 60 7.832 8.174 14.009 531 H ARG 61 H ARG 61 5.832 4.320 9.773 532 HA ARG 61 HA ARG 61 6.083 3.407 12.495 533 HB2 ARG 61 1HB ARG 61 3.979 4.482 12.880 534 HB3 ARG 61 2HB ARG 61 4.932 5.534 11.842 535 HG2 ARG 61 1HG ARG 61 3.595 4.142 9.975 536 HG3 ARG 61 2HG ARG 61 2.422 4.096 11.294 537 HD2 ARG 61 1HD ARG 61 3.707 6.581 10.166 538 HD3 ARG 61 2HD ARG 61 2.071 6.024 9.817 539 HE ARG 61 HE ARG 61 2.439 6.307 12.606 540 HH11 ARG 61 1HH1 ARG 61 2.020 8.174 9.698 541 HH12 ARG 61 2HH1 ARG 61 1.294 9.521 10.511 542 HH21 ARG 61 1HH2 ARG 61 1.483 8.073 13.688 543 HH22 ARG 61 2HH2 ARG 61 0.990 9.463 12.781 544 H LEU 62 H LEU 62 4.393 2.408 9.585 545 HA LEU 62 HA LEU 62 2.673 0.517 10.786 546 HB2 LEU 62 1HB LEU 62 2.739 1.548 8.374 547 HB3 LEU 62 2HB LEU 62 3.730 0.134 8.024 548 HG LEU 62 HG LEU 62 1.036 -0.179 9.295 549 HD11 LEU 62 1HD1 LEU 62 1.655 0.533 6.473 550 HD12 LEU 62 2HD1 LEU 62 0.281 0.990 7.480 551 HD13 LEU 62 3HD1 LEU 62 0.371 -0.632 6.794 552 HD21 LEU 62 3HD2 LEU 62 1.371 -2.242 7.607 553 HD22 LEU 62 1HD2 LEU 62 1.930 -2.252 9.280 554 HD23 LEU 62 2HD2 LEU 62 3.057 -1.878 7.976 555 H GLN 63 H GLN 63 5.975 0.338 9.598 556 HA GLN 63 HA GLN 63 6.132 -2.523 9.949 557 HB2 GLN 63 1HB GLN 63 8.536 -2.196 9.383 558 HB3 GLN 63 2HB GLN 63 7.433 -1.551 8.174 559 HG2 GLN 63 1HG GLN 63 7.923 0.642 8.703 560 HG3 GLN 63 2HG GLN 63 8.515 0.229 10.311 561 HE21 GLN 63 2HE2 GLN 63 9.264 -0.763 6.983 562 HE22 GLN 63 1HE2 GLN 63 10.971 -0.538 7.120 563 H GLU 64 H GLU 64 6.808 0.329 11.801 564 HA GLU 64 HA GLU 64 8.664 -0.641 13.636 565 HB2 GLU 64 1HB GLU 64 7.585 1.740 13.310 566 HB3 GLU 64 2HB GLU 64 6.472 1.176 14.549 567 HG2 GLU 64 1HG GLU 64 8.076 1.138 16.176 568 HG3 GLU 64 2HG GLU 64 9.391 0.898 15.028 569 H LYS 65 H LYS 65 5.133 -0.418 14.108 570 HA LYS 65 HA LYS 65 5.108 -1.992 16.450 571 HB2 LYS 65 1HB LYS 65 2.707 -2.005 16.225 572 HB3 LYS 65 2HB LYS 65 3.307 -0.410 15.790 573 HG2 LYS 65 1HG LYS 65 1.863 -0.707 14.076 574 HG3 LYS 65 2HG LYS 65 3.274 -1.491 13.362 575 HD2 LYS 65 1HD LYS 65 2.358 -3.554 13.496 576 HD3 LYS 65 2HD LYS 65 1.553 -3.212 15.029 577 HE2 LYS 65 1HE LYS 65 0.655 -2.129 12.363 578 HE3 LYS 65 2HE LYS 65 0.003 -3.588 13.108 579 HZ1 LYS 65 3HZ LYS 65 -0.093 -0.856 14.271 580 HZ2 LYS 65 1HZ LYS 65 -0.708 -2.255 14.997 581 HZ3 LYS 65 2HZ LYS 65 -1.392 -1.677 13.563 582 H GLN 66 H GLN 66 5.026 -2.790 13.067 583 HA GLN 66 HA GLN 66 3.914 -5.325 13.103 584 HB2 GLN 66 1HB GLN 66 5.149 -3.753 11.218 585 HB3 GLN 66 2HB GLN 66 6.270 -5.099 11.373 586 HG2 GLN 66 1HG GLN 66 3.404 -5.769 11.105 587 HG3 GLN 66 2HG GLN 66 4.214 -5.109 9.685 588 HE21 GLN 66 2HE2 GLN 66 5.855 -6.280 8.705 589 HE22 GLN 66 1HE2 GLN 66 6.116 -7.955 9.032 590 H LYS 67 H LYS 67 7.413 -4.622 13.173 591 HA LYS 67 HA LYS 67 8.118 -7.260 13.945 592 HB2 LYS 67 1HB LYS 67 9.546 -4.659 13.676 593 HB3 LYS 67 2HB LYS 67 10.318 -5.924 14.623 594 HG2 LYS 67 1HG LYS 67 10.654 -7.272 12.809 595 HG3 LYS 67 2HG LYS 67 9.275 -6.612 11.925 596 HD2 LYS 67 1HD LYS 67 11.536 -4.778 12.502 597 HD3 LYS 67 2HD LYS 67 11.795 -6.031 11.286 598 HE2 LYS 67 1HE LYS 67 9.695 -5.257 10.167 599 HE3 LYS 67 2HE LYS 67 9.651 -3.912 11.305 600 HZ1 LYS 67 3HZ LYS 67 12.202 -3.966 10.210 601 HZ2 LYS 67 1HZ LYS 67 10.989 -2.816 9.946 602 HZ3 LYS 67 2HZ LYS 67 11.127 -4.151 8.917 603 HA PRO 68 HA PRO 68 7.728 -7.240 18.314 604 HB2 PRO 68 1HB PRO 68 9.960 -8.563 19.111 605 HB3 PRO 68 2HB PRO 68 8.603 -9.364 18.310 606 HG2 PRO 68 1HG PRO 68 11.202 -8.432 17.154 607 HG3 PRO 68 2HG PRO 68 10.329 -9.947 16.864 608 HD2 PRO 68 1HD PRO 68 10.241 -7.863 15.138 609 HD3 PRO 68 2HD PRO 68 8.872 -8.969 15.370 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.022 -0.404 1.980 2 HA2 GLY 1 1HA GLY 1 3.485 -0.809 -0.282 3 HA3 GLY 1 2HA GLY 1 1.767 -0.687 -0.633 4 HA PRO 2 HA PRO 2 4.140 3.245 -1.806 5 HB2 PRO 2 1HB PRO 2 3.954 2.983 -4.502 6 HB3 PRO 2 2HB PRO 2 5.308 2.339 -3.565 7 HG2 PRO 2 1HG PRO 2 2.887 0.924 -4.613 8 HG3 PRO 2 2HG PRO 2 4.580 0.395 -4.614 9 HD2 PRO 2 1HD PRO 2 2.778 -0.491 -2.797 10 HD3 PRO 2 2HD PRO 2 4.499 -0.286 -2.413 11 H ARG 3 H ARG 3 2.514 4.593 -1.170 12 HA ARG 3 HA ARG 3 0.761 5.656 -3.061 13 HB2 ARG 3 1HB ARG 3 -1.414 4.902 -1.961 14 HB3 ARG 3 2HB ARG 3 -0.593 3.729 -2.982 15 HG2 ARG 3 1HG ARG 3 0.217 2.530 -1.101 16 HG3 ARG 3 2HG ARG 3 -0.290 3.806 0.007 17 HD2 ARG 3 1HD ARG 3 -2.611 3.351 -0.462 18 HD3 ARG 3 2HD ARG 3 -2.166 2.177 -1.699 19 HE ARG 3 HE ARG 3 -1.024 1.433 0.765 20 HH11 ARG 3 1HH1 ARG 3 -4.105 1.609 -0.847 21 HH12 ARG 3 2HH1 ARG 3 -4.800 0.307 0.060 22 HH21 ARG 3 1HH2 ARG 3 -1.929 -0.283 1.965 23 HH22 ARG 3 2HH2 ARG 3 -3.562 -0.768 1.660 24 H LYS 4 H LYS 4 -0.577 7.361 -2.203 25 HA LYS 4 HA LYS 4 -0.241 8.019 0.614 26 HB2 LYS 4 1HB LYS 4 1.714 8.990 -0.663 27 HB3 LYS 4 2HB LYS 4 0.557 10.000 -1.521 28 HG2 LYS 4 1HG LYS 4 0.444 10.063 1.432 29 HG3 LYS 4 2HG LYS 4 1.851 10.803 0.666 30 HD2 LYS 4 1HD LYS 4 0.495 12.306 -0.572 31 HD3 LYS 4 2HD LYS 4 -0.978 11.427 -0.157 32 HE2 LYS 4 1HE LYS 4 -1.202 12.994 1.435 33 HE3 LYS 4 2HE LYS 4 -0.006 12.037 2.307 34 HZ1 LYS 4 3HZ LYS 4 0.211 14.677 1.413 35 HZ2 LYS 4 1HZ LYS 4 1.342 13.756 0.556 36 HZ3 LYS 4 2HZ LYS 4 1.361 13.758 2.247 37 H ASN 5 H ASN 5 -1.556 8.947 -2.538 38 HA ASN 5 HA ASN 5 -4.113 9.516 -1.296 39 HB2 ASN 5 1HB ASN 5 -2.350 11.618 -2.456 40 HB3 ASN 5 2HB ASN 5 -4.076 11.727 -2.790 41 HD21 ASN 5 2HD2 ASN 5 -2.759 13.667 -1.363 42 HD22 ASN 5 1HD2 ASN 5 -3.297 13.638 0.278 43 H ARG 6 H ARG 6 -2.702 10.468 -4.416 44 HA ARG 6 HA ARG 6 -4.842 8.991 -5.762 45 HB2 ARG 6 1HB ARG 6 -4.177 10.286 -7.763 46 HB3 ARG 6 2HB ARG 6 -4.622 11.315 -6.408 47 HG2 ARG 6 1HG ARG 6 -2.723 12.401 -6.780 48 HG3 ARG 6 2HG ARG 6 -1.900 10.993 -6.104 49 HD2 ARG 6 1HD ARG 6 -0.920 11.549 -8.237 50 HD3 ARG 6 2HD ARG 6 -1.785 10.018 -8.370 51 HE ARG 6 HE ARG 6 -3.587 11.935 -9.145 52 HH11 ARG 6 1HH1 ARG 6 -0.418 10.920 -10.169 53 HH12 ARG 6 2HH1 ARG 6 -0.666 11.368 -11.824 54 HH21 ARG 6 1HH2 ARG 6 -3.926 12.530 -11.321 55 HH22 ARG 6 2HH2 ARG 6 -2.661 12.285 -12.478 56 H ARG 7 H ARG 7 -3.769 8.516 -8.214 57 HA ARG 7 HA ARG 7 -2.473 6.086 -7.920 58 HB2 ARG 7 1HB ARG 7 -3.600 7.346 -10.002 59 HB3 ARG 7 2HB ARG 7 -1.909 7.629 -10.393 60 HG2 ARG 7 1HG ARG 7 -1.477 5.411 -10.763 61 HG3 ARG 7 2HG ARG 7 -2.774 4.870 -9.696 62 HD2 ARG 7 1HD ARG 7 -3.500 6.384 -12.151 63 HD3 ARG 7 2HD ARG 7 -2.979 4.708 -12.326 64 HE ARG 7 HE ARG 7 -5.016 5.102 -10.331 65 HH11 ARG 7 1HH1 ARG 7 -4.365 4.514 -13.701 66 HH12 ARG 7 2HH1 ARG 7 -5.911 3.795 -14.008 67 HH21 ARG 7 1HH2 ARG 7 -7.054 4.156 -10.723 68 HH22 ARG 7 2HH2 ARG 7 -7.440 3.593 -12.314 69 H GLU 8 H GLU 8 -0.275 5.659 -9.126 70 HA GLU 8 HA GLU 8 1.703 7.512 -7.969 71 HB2 GLU 8 1HB GLU 8 3.197 5.380 -8.107 72 HB3 GLU 8 2HB GLU 8 2.046 5.550 -6.790 73 HG2 GLU 8 1HG GLU 8 1.020 4.209 -9.195 74 HG3 GLU 8 2HG GLU 8 2.288 3.349 -8.323 75 H ARG 9 H ARG 9 3.985 6.760 -9.129 76 HA ARG 9 HA ARG 9 4.046 8.039 -11.559 77 HB2 ARG 9 1HB ARG 9 5.985 7.263 -10.038 78 HB3 ARG 9 2HB ARG 9 5.921 5.767 -10.960 79 HG2 ARG 9 1HG ARG 9 6.105 8.353 -12.423 80 HG3 ARG 9 2HG ARG 9 7.545 7.699 -11.640 81 HD2 ARG 9 1HD ARG 9 7.750 6.026 -13.131 82 HD3 ARG 9 2HD ARG 9 6.010 5.758 -13.218 83 HE ARG 9 HE ARG 9 6.457 8.140 -14.517 84 HH11 ARG 9 1HH1 ARG 9 7.522 4.844 -14.863 85 HH12 ARG 9 2HH1 ARG 9 7.721 4.951 -16.581 86 HH21 ARG 9 1HH2 ARG 9 6.715 8.294 -16.778 87 HH22 ARG 9 2HH2 ARG 9 7.262 6.914 -17.669 88 H THR 10 H THR 10 3.171 4.748 -10.870 89 HA THR 10 HA THR 10 1.940 4.359 -13.371 90 HB THR 10 HB THR 10 4.385 4.185 -14.037 91 HG1 THR 10 HG1 THR 10 3.312 3.178 -15.563 92 HG21 THR 10 3HG2 THR 10 5.753 2.591 -13.208 93 HG22 THR 10 1HG2 THR 10 4.459 1.400 -13.080 94 HG23 THR 10 2HG2 THR 10 4.650 2.632 -11.833 95 H THR 11 H THR 11 1.826 1.711 -13.684 96 HA THR 11 HA THR 11 0.070 0.788 -11.802 97 HB THR 11 HB THR 11 0.601 -1.518 -12.587 98 HG1 THR 11 HG1 THR 11 2.177 -1.459 -14.444 99 HG21 THR 11 3HG2 THR 11 -0.500 -1.204 -14.551 100 HG22 THR 11 1HG2 THR 11 0.580 0.087 -15.076 101 HG23 THR 11 2HG2 THR 11 -0.694 0.425 -13.904 102 H TYR 12 H TYR 12 3.558 0.077 -11.925 103 HA TYR 12 HA TYR 12 3.736 0.009 -9.067 104 HB2 TYR 12 1HB TYR 12 4.675 -2.400 -9.124 105 HB3 TYR 12 2HB TYR 12 2.928 -2.185 -9.135 106 HD1 TYR 12 HD2 TYR 12 1.652 -2.537 -11.226 107 HD2 TYR 12 HD1 TYR 12 5.819 -3.366 -10.989 108 HE1 TYR 12 HE2 TYR 12 1.497 -3.877 -13.283 109 HE2 TYR 12 HE1 TYR 12 5.675 -4.707 -13.046 110 HH TYR 12 HH TYR 12 3.532 -6.056 -14.217 111 H SER 13 H SER 13 5.488 1.264 -8.944 112 HA SER 13 HA SER 13 7.938 0.326 -10.250 113 HB2 SER 13 1HB SER 13 6.549 2.865 -10.753 114 HB3 SER 13 2HB SER 13 8.258 3.051 -10.360 115 HG SER 13 HG SER 13 8.376 2.661 -12.458 116 H ARG 14 H ARG 14 9.897 1.112 -9.251 117 HA ARG 14 HA ARG 14 9.619 1.301 -6.385 118 HB2 ARG 14 1HB ARG 14 12.086 1.176 -6.373 119 HB3 ARG 14 2HB ARG 14 11.354 -0.127 -7.300 120 HG2 ARG 14 1HG ARG 14 12.004 2.221 -8.905 121 HG3 ARG 14 2HG ARG 14 13.405 1.467 -8.140 122 HD2 ARG 14 1HD ARG 14 12.159 -0.727 -9.045 123 HD3 ARG 14 2HD ARG 14 11.599 0.439 -10.244 124 HE ARG 14 HE ARG 14 14.377 0.704 -9.934 125 HH11 ARG 14 1HH1 ARG 14 12.020 -1.528 -11.193 126 HH12 ARG 14 2HH1 ARG 14 13.092 -2.192 -12.381 127 HH21 ARG 14 1HH2 ARG 14 15.797 -0.162 -11.495 128 HH22 ARG 14 2HH2 ARG 14 15.240 -1.415 -12.552 129 H GLN 15 H GLN 15 9.981 3.471 -8.991 130 HA GLN 15 HA GLN 15 11.472 5.550 -7.973 131 HB2 GLN 15 1HB GLN 15 9.054 5.520 -9.760 132 HB3 GLN 15 2HB GLN 15 9.848 7.028 -9.324 133 HG2 GLN 15 1HG GLN 15 10.679 6.325 -11.442 134 HG3 GLN 15 2HG GLN 15 11.961 6.121 -10.249 135 HE21 GLN 15 2HE2 GLN 15 13.043 4.305 -10.418 136 HE22 GLN 15 1HE2 GLN 15 12.446 2.811 -11.046 137 H GLN 16 H GLN 16 7.964 5.061 -7.587 138 HA GLN 16 HA GLN 16 7.419 7.273 -6.010 139 HB2 GLN 16 1HB GLN 16 5.502 5.894 -5.119 140 HB3 GLN 16 2HB GLN 16 5.597 6.014 -6.871 141 HG2 GLN 16 1HG GLN 16 7.045 3.757 -6.385 142 HG3 GLN 16 2HG GLN 16 5.810 3.680 -5.130 143 HE21 GLN 16 2HE2 GLN 16 5.959 4.625 -8.552 144 HE22 GLN 16 1HE2 GLN 16 4.581 3.704 -9.041 145 H LEU 17 H LEU 17 8.789 4.169 -5.126 146 HA LEU 17 HA LEU 17 8.715 4.813 -2.291 147 HB2 LEU 17 1HB LEU 17 9.927 2.432 -3.685 148 HB3 LEU 17 2HB LEU 17 9.653 2.606 -1.952 149 HG LEU 17 HG LEU 17 7.169 2.941 -3.327 150 HD11 LEU 17 1HD1 LEU 17 7.191 0.403 -4.028 151 HD12 LEU 17 2HD1 LEU 17 8.905 0.727 -4.287 152 HD13 LEU 17 3HD1 LEU 17 7.690 1.670 -5.150 153 HD21 LEU 17 3HD2 LEU 17 8.025 0.593 -1.662 154 HD22 LEU 17 1HD2 LEU 17 6.425 1.322 -1.804 155 HD23 LEU 17 2HD2 LEU 17 7.712 2.178 -0.954 156 H GLU 18 H GLU 18 10.730 5.403 -4.903 157 HA GLU 18 HA GLU 18 13.264 5.191 -3.600 158 HB2 GLU 18 1HB GLU 18 12.333 6.518 -6.136 159 HB3 GLU 18 2HB GLU 18 13.987 6.683 -5.565 160 HG2 GLU 18 1HG GLU 18 12.989 3.928 -5.679 161 HG3 GLU 18 2HG GLU 18 13.120 4.743 -7.236 162 H ILE 19 H ILE 19 10.983 7.821 -4.206 163 HA ILE 19 HA ILE 19 12.385 10.038 -3.496 164 HB ILE 19 HB ILE 19 9.590 9.468 -2.507 165 HG12 ILE 19 1HG1 ILE 19 9.550 11.032 -4.860 166 HG13 ILE 19 2HG1 ILE 19 10.616 9.671 -5.187 167 HG21 ILE 19 1HG2 ILE 19 9.350 11.689 -2.100 168 HG22 ILE 19 2HG2 ILE 19 11.088 11.561 -1.833 169 HG23 ILE 19 3HG2 ILE 19 10.475 12.157 -3.375 170 HD11 ILE 19 3HD1 ILE 19 7.977 9.150 -3.922 171 HD12 ILE 19 1HD1 ILE 19 8.047 9.519 -5.645 172 HD13 ILE 19 2HD1 ILE 19 8.935 8.137 -5.003 173 H LEU 20 H LEU 20 11.068 7.598 -1.316 174 HA LEU 20 HA LEU 20 12.106 9.034 1.004 175 HB2 LEU 20 1HB LEU 20 10.890 6.371 1.347 176 HB3 LEU 20 2HB LEU 20 10.659 7.852 2.274 177 HG LEU 20 HG LEU 20 8.571 7.366 1.309 178 HD11 LEU 20 1HD1 LEU 20 8.103 9.337 0.255 179 HD12 LEU 20 2HD1 LEU 20 9.543 9.267 -0.760 180 HD13 LEU 20 3HD1 LEU 20 9.682 9.725 0.938 181 HD21 LEU 20 3HD2 LEU 20 10.042 6.046 -0.641 182 HD22 LEU 20 1HD2 LEU 20 9.235 7.355 -1.506 183 HD23 LEU 20 2HD2 LEU 20 8.286 6.203 -0.566 184 H GLU 21 H GLU 21 12.222 5.658 -0.156 185 HA GLU 21 HA GLU 21 14.211 4.665 1.403 186 HB2 GLU 21 1HB GLU 21 12.883 3.748 -0.779 187 HB3 GLU 21 2HB GLU 21 14.496 3.952 -1.449 188 HG2 GLU 21 1HG GLU 21 13.757 2.298 0.954 189 HG3 GLU 21 2HG GLU 21 14.189 1.695 -0.645 190 H THR 22 H THR 22 14.543 6.947 -1.202 191 HA THR 22 HA THR 22 17.451 6.752 -1.184 192 HB THR 22 HB THR 22 15.702 8.629 -2.784 193 HG1 THR 22 HG1 THR 22 15.484 6.245 -3.140 194 HG21 THR 22 3HG2 THR 22 17.735 8.706 -4.255 195 HG22 THR 22 1HG2 THR 22 18.611 7.852 -2.986 196 HG23 THR 22 2HG2 THR 22 17.945 9.455 -2.673 197 H LEU 23 H LEU 23 14.986 9.279 -0.675 198 HA LEU 23 HA LEU 23 16.864 11.159 0.361 199 HB2 LEU 23 1HB LEU 23 14.669 11.693 -0.751 200 HB3 LEU 23 2HB LEU 23 13.877 11.174 0.736 201 HG LEU 23 HG LEU 23 15.908 13.391 0.701 202 HD11 LEU 23 1HD1 LEU 23 13.631 14.747 0.877 203 HD12 LEU 23 2HD1 LEU 23 13.067 13.420 -0.139 204 HD13 LEU 23 3HD1 LEU 23 14.420 14.422 -0.667 205 HD21 LEU 23 3HD2 LEU 23 14.214 12.097 2.680 206 HD22 LEU 23 1HD2 LEU 23 14.013 13.849 2.647 207 HD23 LEU 23 2HD2 LEU 23 15.612 13.150 2.899 208 H PHE 24 H PHE 24 14.090 9.593 1.971 209 HA PHE 24 HA PHE 24 14.617 10.244 4.560 210 HB2 PHE 24 1HB PHE 24 12.623 9.020 3.985 211 HB3 PHE 24 2HB PHE 24 13.569 7.623 3.479 212 HD1 PHE 24 HD2 PHE 24 14.602 6.159 5.123 213 HD2 PHE 24 HD1 PHE 24 12.211 9.475 6.306 214 HE1 PHE 24 HE2 PHE 24 14.437 5.225 7.393 215 HE2 PHE 24 HE1 PHE 24 12.042 8.547 8.579 216 HZ PHE 24 HZ PHE 24 13.155 6.419 9.124 217 H ASN 25 H ASN 25 16.210 7.777 2.635 218 HA ASN 25 HA ASN 25 17.731 6.761 4.868 219 HB2 ASN 25 1HB ASN 25 16.992 5.369 2.889 220 HB3 ASN 25 2HB ASN 25 18.198 6.225 1.932 221 HD21 ASN 25 2HD2 ASN 25 17.788 4.244 4.823 222 HD22 ASN 25 1HD2 ASN 25 19.349 3.506 4.755 223 H GLU 26 H GLU 26 18.294 8.841 2.069 224 HA GLU 26 HA GLU 26 21.041 9.127 2.207 225 HB2 GLU 26 1HB GLU 26 19.853 10.074 0.363 226 HB3 GLU 26 2HB GLU 26 18.904 11.106 1.423 227 HG2 GLU 26 1HG GLU 26 20.496 12.676 1.537 228 HG3 GLU 26 2HG GLU 26 21.802 11.495 1.608 229 H THR 27 H THR 27 18.550 10.998 3.913 230 HA THR 27 HA THR 27 20.103 11.343 6.235 231 HB THR 27 HB THR 27 19.993 14.044 5.667 232 HG1 THR 27 HG1 THR 27 19.715 13.678 3.454 233 HG21 THR 27 3HG2 THR 27 21.817 12.329 6.629 234 HG22 THR 27 1HG2 THR 27 22.210 13.982 6.162 235 HG23 THR 27 2HG2 THR 27 22.531 12.652 5.049 236 H GLN 28 H GLN 28 19.139 13.316 7.565 237 HA GLN 28 HA GLN 28 16.218 13.101 7.293 238 HB2 GLN 28 1HB GLN 28 18.006 13.487 9.682 239 HB3 GLN 28 2HB GLN 28 16.287 13.849 9.753 240 HG2 GLN 28 1HG GLN 28 15.883 11.487 8.967 241 HG3 GLN 28 2HG GLN 28 17.598 11.195 9.255 242 HE21 GLN 28 2HE2 GLN 28 18.028 12.612 11.546 243 HE22 GLN 28 1HE2 GLN 28 17.118 11.922 12.842 244 H TYR 29 H TYR 29 17.566 14.960 5.704 245 HA TYR 29 HA TYR 29 16.911 17.522 7.000 246 HB2 TYR 29 1HB TYR 29 18.734 17.012 4.640 247 HB3 TYR 29 2HB TYR 29 18.419 18.578 5.379 248 HD1 TYR 29 HD1 TYR 29 18.695 18.273 8.163 249 HD2 TYR 29 HD2 TYR 29 20.861 16.265 5.100 250 HE1 TYR 29 HE1 TYR 29 20.561 17.915 9.725 251 HE2 TYR 29 HE2 TYR 29 22.732 15.900 6.654 252 HH TYR 29 HH TYR 29 22.487 16.756 10.058 253 HA PRO 30 HA PRO 30 13.627 16.855 3.818 254 HB2 PRO 30 1HB PRO 30 11.634 17.886 5.346 255 HB3 PRO 30 2HB PRO 30 12.140 16.195 5.440 256 HG2 PRO 30 1HG PRO 30 12.862 18.490 7.221 257 HG3 PRO 30 2HG PRO 30 12.426 16.828 7.659 258 HD2 PRO 30 1HD PRO 30 14.992 17.692 7.591 259 HD3 PRO 30 2HD PRO 30 14.536 16.021 7.202 260 H ASP 31 H ASP 31 14.997 18.597 2.814 261 HA ASP 31 HA ASP 31 13.612 21.186 3.035 262 HB2 ASP 31 1HB ASP 31 16.574 20.680 2.728 263 HB3 ASP 31 2HB ASP 31 15.826 22.246 2.428 264 H VAL 32 H VAL 32 14.189 22.583 1.023 265 HA VAL 32 HA VAL 32 13.051 21.436 -1.220 266 HB VAL 32 HB VAL 32 14.261 23.343 -2.483 267 HG11 VAL 32 1HG1 VAL 32 12.786 25.048 -1.185 268 HG12 VAL 32 2HG1 VAL 32 12.022 23.711 -2.047 269 HG13 VAL 32 3HG1 VAL 32 12.241 23.625 -0.299 270 HG21 VAL 32 3HG2 VAL 32 14.659 24.769 0.024 271 HG22 VAL 32 1HG2 VAL 32 15.768 23.412 -0.179 272 HG23 VAL 32 2HG2 VAL 32 15.691 24.680 -1.403 273 H PHE 33 H PHE 33 16.460 21.698 -0.344 274 HA PHE 33 HA PHE 33 17.595 20.859 -2.750 275 HB2 PHE 33 1HB PHE 33 18.453 21.119 0.033 276 HB3 PHE 33 2HB PHE 33 19.269 19.810 -0.816 277 HD1 PHE 33 HD2 PHE 33 18.406 23.412 -1.163 278 HD2 PHE 33 HD1 PHE 33 21.108 20.270 -2.135 279 HE1 PHE 33 HE2 PHE 33 19.921 25.043 -2.211 280 HE2 PHE 33 HE1 PHE 33 22.628 21.897 -3.184 281 HZ PHE 33 HZ PHE 33 22.034 24.286 -3.224 282 H ALA 34 H ALA 34 15.855 19.092 -0.362 283 HA ALA 34 HA ALA 34 16.845 16.506 -1.233 284 HB1 ALA 34 1HB ALA 34 14.460 16.677 0.507 285 HB2 ALA 34 2HB ALA 34 15.884 15.642 0.627 286 HB3 ALA 34 3HB ALA 34 15.968 17.322 1.157 287 H ARG 35 H ARG 35 13.569 17.904 -0.964 288 HA ARG 35 HA ARG 35 12.280 16.054 -2.581 289 HB2 ARG 35 1HB ARG 35 10.553 17.844 -2.905 290 HB3 ARG 35 2HB ARG 35 10.987 17.543 -1.227 291 HG2 ARG 35 1HG ARG 35 12.508 19.506 -1.332 292 HG3 ARG 35 2HG ARG 35 11.890 19.838 -2.951 293 HD2 ARG 35 1HD ARG 35 10.101 20.857 -2.114 294 HD3 ARG 35 2HD ARG 35 9.708 19.448 -1.130 295 HE ARG 35 HE ARG 35 11.055 21.849 -0.273 296 HH11 ARG 35 1HH1 ARG 35 10.436 18.489 0.393 297 HH12 ARG 35 2HH1 ARG 35 10.775 18.627 2.086 298 HH21 ARG 35 1HH2 ARG 35 11.504 22.044 1.955 299 HH22 ARG 35 2HH2 ARG 35 11.381 20.650 2.974 300 H GLU 36 H GLU 36 13.732 19.170 -3.477 301 HA GLU 36 HA GLU 36 13.029 19.129 -6.188 302 HB2 GLU 36 1HB GLU 36 13.877 21.130 -5.037 303 HB3 GLU 36 2HB GLU 36 15.459 20.376 -4.891 304 HG2 GLU 36 1HG GLU 36 15.782 20.425 -7.252 305 HG3 GLU 36 2HG GLU 36 14.118 20.942 -7.522 306 H ARG 37 H ARG 37 15.444 17.396 -4.436 307 HA ARG 37 HA ARG 37 17.057 16.750 -6.730 308 HB2 ARG 37 1HB ARG 37 17.994 16.870 -4.437 309 HB3 ARG 37 2HB ARG 37 17.018 15.477 -3.988 310 HG2 ARG 37 1HG ARG 37 18.284 14.443 -6.101 311 HG3 ARG 37 2HG ARG 37 19.491 15.626 -5.593 312 HD2 ARG 37 1HD ARG 37 19.267 14.671 -3.267 313 HD3 ARG 37 2HD ARG 37 18.317 13.370 -3.984 314 HE ARG 37 HE ARG 37 20.263 12.428 -4.699 315 HH11 ARG 37 1HH1 ARG 37 20.830 15.807 -4.086 316 HH12 ARG 37 2HH1 ARG 37 22.534 15.709 -4.382 317 HH21 ARG 37 1HH2 ARG 37 22.506 12.286 -5.092 318 HH22 ARG 37 2HH2 ARG 37 23.486 13.706 -4.955 319 H VAL 38 H VAL 38 15.146 14.701 -4.516 320 HA VAL 38 HA VAL 38 15.141 12.403 -6.062 321 HB VAL 38 HB VAL 38 12.923 11.898 -4.883 322 HG11 VAL 38 1HG1 VAL 38 14.937 10.988 -4.020 323 HG12 VAL 38 2HG1 VAL 38 15.446 12.550 -3.376 324 HG13 VAL 38 3HG1 VAL 38 14.079 11.701 -2.654 325 HG21 VAL 38 3HG2 VAL 38 13.583 14.252 -3.161 326 HG22 VAL 38 1HG2 VAL 38 12.551 14.450 -4.577 327 HG23 VAL 38 2HG2 VAL 38 12.076 13.345 -3.287 328 H ALA 39 H ALA 39 13.346 15.330 -6.473 329 HA ALA 39 HA ALA 39 11.154 14.461 -7.946 330 HB1 ALA 39 1HB ALA 39 10.735 16.638 -7.986 331 HB2 ALA 39 2HB ALA 39 12.328 16.931 -7.286 332 HB3 ALA 39 3HB ALA 39 12.123 16.920 -9.038 333 H ASP 40 H ASP 40 14.497 14.806 -8.872 334 HA ASP 40 HA ASP 40 13.939 14.508 -11.699 335 HB2 ASP 40 1HB ASP 40 15.873 15.858 -10.634 336 HB3 ASP 40 2HB ASP 40 16.664 14.295 -10.444 337 H GLN 41 H GLN 41 14.414 12.475 -9.019 338 HA GLN 41 HA GLN 41 15.553 10.254 -10.441 339 HB2 GLN 41 1HB GLN 41 14.304 10.510 -7.706 340 HB3 GLN 41 2HB GLN 41 14.948 8.997 -8.331 341 HG2 GLN 41 1HG GLN 41 16.581 11.508 -8.101 342 HG3 GLN 41 2HG GLN 41 16.472 10.299 -6.822 343 HE21 GLN 41 2HE2 GLN 41 17.304 8.206 -7.215 344 HE22 GLN 41 1HE2 GLN 41 18.514 7.943 -8.420 345 H ILE 42 H ILE 42 12.346 10.932 -9.045 346 HA ILE 42 HA ILE 42 11.216 8.666 -10.481 347 HB ILE 42 HB ILE 42 9.266 8.935 -9.205 348 HG12 ILE 42 1HG1 ILE 42 10.226 11.685 -8.385 349 HG13 ILE 42 2HG1 ILE 42 9.027 11.380 -9.638 350 HG21 ILE 42 1HG2 ILE 42 10.022 8.911 -6.944 351 HG22 ILE 42 2HG2 ILE 42 11.302 8.220 -7.940 352 HG23 ILE 42 3HG2 ILE 42 11.443 9.875 -7.348 353 HD11 ILE 42 3HD1 ILE 42 8.796 11.162 -6.691 354 HD12 ILE 42 1HD1 ILE 42 7.665 11.819 -7.874 355 HD13 ILE 42 2HD1 ILE 42 7.834 10.073 -7.690 356 H ARG 43 H ARG 43 11.845 11.865 -11.132 357 HA ARG 43 HA ARG 43 11.279 13.218 -12.876 358 HB2 ARG 43 1HB ARG 43 10.992 10.794 -13.950 359 HB3 ARG 43 2HB ARG 43 9.304 11.286 -13.981 360 HG2 ARG 43 1HG ARG 43 11.620 12.703 -15.280 361 HG3 ARG 43 2HG ARG 43 10.330 11.809 -16.087 362 HD2 ARG 43 1HD ARG 43 8.690 13.418 -15.250 363 HD3 ARG 43 2HD ARG 43 9.975 14.305 -14.432 364 HE ARG 43 HE ARG 43 9.312 14.400 -17.223 365 HH11 ARG 43 1HH1 ARG 43 11.843 14.844 -14.874 366 HH12 ARG 43 2HH1 ARG 43 12.754 15.933 -15.868 367 HH21 ARG 43 1HH2 ARG 43 10.501 15.832 -18.541 368 HH22 ARG 43 2HH2 ARG 43 11.989 16.494 -17.954 369 H LEU 44 H LEU 44 10.118 13.952 -10.684 370 HA LEU 44 HA LEU 44 7.395 14.667 -11.495 371 HB2 LEU 44 1HB LEU 44 7.365 12.749 -9.872 372 HB3 LEU 44 2HB LEU 44 8.091 13.832 -8.686 373 HG LEU 44 HG LEU 44 6.115 15.241 -8.721 374 HD11 LEU 44 1HD1 LEU 44 5.406 15.050 -10.989 375 HD12 LEU 44 2HD1 LEU 44 4.098 14.455 -9.968 376 HD13 LEU 44 3HD1 LEU 44 5.139 13.315 -10.820 377 HD21 LEU 44 3HD2 LEU 44 6.233 13.239 -7.235 378 HD22 LEU 44 1HD2 LEU 44 5.290 12.357 -8.437 379 HD23 LEU 44 2HD2 LEU 44 4.592 13.759 -7.626 380 H GLN 45 H GLN 45 6.531 16.499 -10.158 381 HA GLN 45 HA GLN 45 8.219 18.697 -10.266 382 HB2 GLN 45 1HB GLN 45 5.528 18.140 -9.340 383 HB3 GLN 45 2HB GLN 45 6.318 19.338 -8.324 384 HG2 GLN 45 1HG GLN 45 6.618 20.821 -10.108 385 HG3 GLN 45 2HG GLN 45 6.300 19.571 -11.311 386 HE21 GLN 45 2HE2 GLN 45 4.250 19.183 -11.945 387 HE22 GLN 45 1HE2 GLN 45 2.872 20.046 -11.363 388 H GLU 46 H GLU 46 9.099 20.033 -8.579 389 HA GLU 46 HA GLU 46 10.524 18.513 -6.626 390 HB2 GLU 46 1HB GLU 46 11.467 20.694 -5.948 391 HB3 GLU 46 2HB GLU 46 11.581 20.421 -7.681 392 HG2 GLU 46 1HG GLU 46 9.292 21.738 -7.677 393 HG3 GLU 46 2HG GLU 46 9.944 22.376 -6.169 394 H SER 47 H SER 47 7.886 20.872 -6.500 395 HA SER 47 HA SER 47 7.679 20.688 -3.626 396 HB2 SER 47 1HB SER 47 7.181 22.790 -4.894 397 HB3 SER 47 2HB SER 47 5.762 21.993 -5.571 398 HG SER 47 HG SER 47 6.045 23.191 -3.187 399 H ARG 48 H ARG 48 6.275 19.160 -6.391 400 HA ARG 48 HA ARG 48 3.925 18.184 -5.093 401 HB2 ARG 48 1HB ARG 48 4.077 18.444 -7.542 402 HB3 ARG 48 2HB ARG 48 5.305 17.187 -7.591 403 HG2 ARG 48 1HG ARG 48 3.170 16.286 -8.253 404 HG3 ARG 48 2HG ARG 48 3.670 15.577 -6.716 405 HD2 ARG 48 1HD ARG 48 1.292 16.173 -6.717 406 HD3 ARG 48 2HD ARG 48 2.199 17.090 -5.514 407 HE ARG 48 HE ARG 48 2.107 18.610 -7.847 408 HH11 ARG 48 1HH1 ARG 48 -0.080 17.368 -5.440 409 HH12 ARG 48 2HH1 ARG 48 -1.217 18.664 -5.616 410 HH21 ARG 48 1HH2 ARG 48 0.618 20.321 -8.089 411 HH22 ARG 48 2HH2 ARG 48 -0.820 20.342 -7.124 412 H ILE 49 H ILE 49 7.083 16.775 -5.894 413 HA ILE 49 HA ILE 49 6.652 14.181 -5.018 414 HB ILE 49 HB ILE 49 8.781 15.426 -6.067 415 HG12 ILE 49 1HG1 ILE 49 8.942 12.918 -4.381 416 HG13 ILE 49 2HG1 ILE 49 8.323 12.992 -6.026 417 HG21 ILE 49 1HG2 ILE 49 10.551 15.752 -4.578 418 HG22 ILE 49 2HG2 ILE 49 9.165 16.473 -3.762 419 HG23 ILE 49 3HG2 ILE 49 9.739 14.878 -3.279 420 HD11 ILE 49 3HD1 ILE 49 10.896 12.419 -5.303 421 HD12 ILE 49 1HD1 ILE 49 10.365 12.934 -6.904 422 HD13 ILE 49 2HD1 ILE 49 10.990 14.120 -5.757 423 H GLN 50 H GLN 50 6.953 17.082 -3.188 424 HA GLN 50 HA GLN 50 7.880 16.111 -0.742 425 HB2 GLN 50 1HB GLN 50 6.971 18.542 -1.706 426 HB3 GLN 50 2HB GLN 50 5.793 18.131 -0.466 427 HG2 GLN 50 1HG GLN 50 8.622 17.777 0.274 428 HG3 GLN 50 2HG GLN 50 8.085 19.437 0.019 429 HE21 GLN 50 2HE2 GLN 50 5.885 19.884 1.091 430 HE22 GLN 50 1HE2 GLN 50 5.731 19.336 2.722 431 H VAL 51 H VAL 51 4.592 16.253 -2.048 432 HA VAL 51 HA VAL 51 3.281 15.300 0.265 433 HB VAL 51 HB VAL 51 1.347 15.044 -1.057 434 HG11 VAL 51 1HG1 VAL 51 2.408 17.109 -2.820 435 HG12 VAL 51 2HG1 VAL 51 1.124 17.198 -1.613 436 HG13 VAL 51 3HG1 VAL 51 2.811 17.366 -1.123 437 HG21 VAL 51 3HG2 VAL 51 3.283 14.467 -3.226 438 HG22 VAL 51 1HG2 VAL 51 1.750 13.688 -2.836 439 HG23 VAL 51 2HG2 VAL 51 1.763 15.235 -3.682 440 H TRP 52 H TRP 52 4.905 13.699 -2.380 441 HA TRP 52 HA TRP 52 3.894 11.084 -1.663 442 HB2 TRP 52 1HB TRP 52 5.993 11.946 -3.663 443 HB3 TRP 52 2HB TRP 52 5.441 10.287 -3.450 444 HD1 TRP 52 HD1 TRP 52 4.807 13.208 -5.537 445 HE1 TRP 52 HE1 TRP 52 2.552 13.011 -6.761 446 HE3 TRP 52 HE3 TRP 52 2.763 9.364 -2.857 447 HZ2 TRP 52 HZ2 TRP 52 0.215 11.435 -6.610 448 HZ3 TRP 52 HZ3 TRP 52 0.513 8.571 -3.461 449 HH2 TRP 52 HH2 TRP 52 -0.733 9.587 -5.298 450 H PHE 53 H PHE 53 6.520 13.102 -0.800 451 HA PHE 53 HA PHE 53 8.496 11.241 -0.150 452 HB2 PHE 53 1HB PHE 53 8.989 13.606 -0.167 453 HB3 PHE 53 2HB PHE 53 7.832 13.900 1.126 454 HD1 PHE 53 HD2 PHE 53 10.620 11.465 0.643 455 HD2 PHE 53 HD1 PHE 53 8.888 14.508 3.063 456 HE1 PHE 53 HE2 PHE 53 12.408 11.156 2.305 457 HE2 PHE 53 HE1 PHE 53 10.673 14.205 4.729 458 HZ PHE 53 HZ PHE 53 12.435 12.526 4.352 459 H LYS 54 H LYS 54 5.462 11.831 1.301 460 HA LYS 54 HA LYS 54 6.194 10.693 3.870 461 HB2 LYS 54 1HB LYS 54 4.534 12.560 3.644 462 HB3 LYS 54 2HB LYS 54 3.447 11.429 2.847 463 HG2 LYS 54 1HG LYS 54 3.371 10.060 4.854 464 HG3 LYS 54 2HG LYS 54 4.503 11.152 5.655 465 HD2 LYS 54 1HD LYS 54 2.878 12.980 5.430 466 HD3 LYS 54 2HD LYS 54 1.746 11.869 4.655 467 HE2 LYS 54 1HE LYS 54 2.872 11.286 7.371 468 HE3 LYS 54 2HE LYS 54 1.483 12.353 7.175 469 HZ1 LYS 54 3HZ LYS 54 0.186 10.585 7.008 470 HZ2 LYS 54 1HZ LYS 54 1.518 9.562 7.220 471 HZ3 LYS 54 2HZ LYS 54 1.051 10.032 5.664 472 H ASN 55 H ASN 55 5.110 9.606 0.835 473 HA ASN 55 HA ASN 55 3.437 7.526 1.211 474 HB2 ASN 55 1HB ASN 55 4.202 7.885 -0.989 475 HB3 ASN 55 2HB ASN 55 5.891 7.717 -0.522 476 HD21 ASN 55 2HD2 ASN 55 6.266 6.158 -2.086 477 HD22 ASN 55 1HD2 ASN 55 5.669 4.543 -1.939 478 H ARG 56 H ARG 56 6.942 6.890 1.171 479 HA ARG 56 HA ARG 56 6.545 4.537 2.811 480 HB2 ARG 56 1HB ARG 56 8.203 4.912 0.791 481 HB3 ARG 56 2HB ARG 56 9.254 5.541 2.052 482 HG2 ARG 56 1HG ARG 56 8.176 3.082 2.963 483 HG3 ARG 56 2HG ARG 56 8.779 2.847 1.321 484 HD2 ARG 56 1HD ARG 56 10.572 2.390 2.829 485 HD3 ARG 56 2HD ARG 56 10.914 3.927 2.036 486 HE ARG 56 HE ARG 56 9.664 4.675 4.313 487 HH11 ARG 56 1HH1 ARG 56 12.368 2.586 3.648 488 HH12 ARG 56 2HH1 ARG 56 13.159 2.913 5.155 489 HH21 ARG 56 1HH2 ARG 56 10.695 5.114 6.300 490 HH22 ARG 56 2HH2 ARG 56 12.206 4.351 6.663 491 H ARG 57 H ARG 57 8.055 7.714 3.084 492 HA ARG 57 HA ARG 57 9.446 7.491 5.432 493 HB2 ARG 57 1HB ARG 57 9.485 9.541 4.177 494 HB3 ARG 57 2HB ARG 57 7.764 9.792 4.436 495 HG2 ARG 57 1HG ARG 57 9.225 9.543 6.929 496 HG3 ARG 57 2HG ARG 57 9.820 10.865 5.923 497 HD2 ARG 57 1HD ARG 57 8.154 12.014 6.916 498 HD3 ARG 57 2HD ARG 57 7.166 11.241 5.677 499 HE ARG 57 HE ARG 57 7.280 9.538 7.889 500 HH11 ARG 57 1HH1 ARG 57 6.001 12.656 7.016 501 HH12 ARG 57 2HH1 ARG 57 4.680 12.572 8.135 502 HH21 ARG 57 1HH2 ARG 57 5.546 9.416 9.365 503 HH22 ARG 57 2HH2 ARG 57 4.423 10.729 9.471 504 H ALA 58 H ALA 58 5.991 7.561 4.980 505 HA ALA 58 HA ALA 58 5.467 7.856 7.824 506 HB1 ALA 58 1HB ALA 58 3.071 7.628 7.103 507 HB2 ALA 58 2HB ALA 58 3.940 8.996 6.405 508 HB3 ALA 58 3HB ALA 58 3.654 7.548 5.440 509 H LYS 59 H LYS 59 5.443 5.364 5.350 510 HA LYS 59 HA LYS 59 4.064 3.355 6.699 511 HB2 LYS 59 1HB LYS 59 5.869 3.535 4.418 512 HB3 LYS 59 2HB LYS 59 6.046 2.017 5.289 513 HG2 LYS 59 1HG LYS 59 4.422 1.903 3.435 514 HG3 LYS 59 2HG LYS 59 3.715 1.518 5.006 515 HD2 LYS 59 1HD LYS 59 2.286 3.232 4.887 516 HD3 LYS 59 2HD LYS 59 3.552 4.352 4.378 517 HE2 LYS 59 1HE LYS 59 2.249 4.370 2.504 518 HE3 LYS 59 2HE LYS 59 3.317 3.025 2.106 519 HZ1 LYS 59 3HZ LYS 59 0.715 2.618 3.456 520 HZ2 LYS 59 1HZ LYS 59 1.670 1.474 2.655 521 HZ3 LYS 59 2HZ LYS 59 0.854 2.662 1.771 522 H TYR 60 H TYR 60 7.181 4.678 7.285 523 HA TYR 60 HA TYR 60 8.596 2.624 8.434 524 HB2 TYR 60 1HB TYR 60 9.964 4.234 9.334 525 HB3 TYR 60 2HB TYR 60 9.105 5.210 8.148 526 HD1 TYR 60 HD1 TYR 60 6.900 6.351 9.045 527 HD2 TYR 60 HD2 TYR 60 10.092 4.999 11.512 528 HE1 TYR 60 HE1 TYR 60 6.159 7.874 10.828 529 HE2 TYR 60 HE2 TYR 60 9.359 6.517 13.302 530 HH TYR 60 HH TYR 60 7.862 8.021 13.944 531 H ARG 61 H ARG 61 5.815 4.305 9.684 532 HA ARG 61 HA ARG 61 6.095 3.314 12.368 533 HB2 ARG 61 1HB ARG 61 4.803 5.428 11.423 534 HB3 ARG 61 2HB ARG 61 3.478 4.278 11.310 535 HG2 ARG 61 1HG ARG 61 3.228 4.131 13.554 536 HG3 ARG 61 2HG ARG 61 4.948 4.364 13.872 537 HD2 ARG 61 1HD ARG 61 4.041 6.335 14.662 538 HD3 ARG 61 2HD ARG 61 4.513 6.778 13.022 539 HE ARG 61 HE ARG 61 2.316 7.165 12.568 540 HH11 ARG 61 1HH1 ARG 61 2.515 5.012 15.297 541 HH12 ARG 61 2HH1 ARG 61 0.805 4.996 15.575 542 HH21 ARG 61 1HH2 ARG 61 0.063 7.151 12.923 543 HH22 ARG 61 2HH2 ARG 61 -0.589 6.212 14.223 544 H LEU 62 H LEU 62 4.207 2.452 9.510 545 HA LEU 62 HA LEU 62 2.632 0.457 10.747 546 HB2 LEU 62 1HB LEU 62 2.502 1.660 8.388 547 HB3 LEU 62 2HB LEU 62 3.377 0.217 7.880 548 HG LEU 62 HG LEU 62 0.986 -0.018 7.490 549 HD11 LEU 62 1HD1 LEU 62 1.619 -1.804 9.807 550 HD12 LEU 62 2HD1 LEU 62 2.512 -1.933 8.293 551 HD13 LEU 62 3HD1 LEU 62 0.766 -2.178 8.309 552 HD21 LEU 62 3HD2 LEU 62 0.209 -0.255 10.286 553 HD22 LEU 62 1HD2 LEU 62 -0.598 0.565 8.950 554 HD23 LEU 62 2HD2 LEU 62 0.688 1.383 9.838 555 H GLN 63 H GLN 63 5.806 0.427 9.252 556 HA GLN 63 HA GLN 63 6.036 -2.441 9.303 557 HB2 GLN 63 1HB GLN 63 8.286 -2.100 8.501 558 HB3 GLN 63 2HB GLN 63 7.200 -1.032 7.621 559 HG2 GLN 63 1HG GLN 63 7.883 0.835 9.036 560 HG3 GLN 63 2HG GLN 63 8.969 -0.235 9.922 561 HE21 GLN 63 2HE2 GLN 63 10.994 -0.314 9.265 562 HE22 GLN 63 1HE2 GLN 63 11.579 0.180 7.716 563 H GLU 64 H GLU 64 6.692 0.172 11.462 564 HA GLU 64 HA GLU 64 8.661 -1.030 13.078 565 HB2 GLU 64 1HB GLU 64 7.843 1.416 13.041 566 HB3 GLU 64 2HB GLU 64 6.575 0.865 14.127 567 HG2 GLU 64 1HG GLU 64 8.073 0.377 15.834 568 HG3 GLU 64 2HG GLU 64 9.453 0.333 14.739 569 H LYS 65 H LYS 65 5.121 -0.955 13.358 570 HA LYS 65 HA LYS 65 5.060 -2.568 15.712 571 HB2 LYS 65 1HB LYS 65 3.234 -1.053 15.266 572 HB3 LYS 65 2HB LYS 65 2.912 -1.828 13.720 573 HG2 LYS 65 1HG LYS 65 2.771 -3.847 15.674 574 HG3 LYS 65 2HG LYS 65 1.881 -2.459 16.306 575 HD2 LYS 65 1HD LYS 65 0.890 -2.421 13.860 576 HD3 LYS 65 2HD LYS 65 1.355 -4.124 13.892 577 HE2 LYS 65 1HE LYS 65 -0.357 -2.784 15.980 578 HE3 LYS 65 2HE LYS 65 -0.991 -3.693 14.609 579 HZ1 LYS 65 3HZ LYS 65 -0.794 -5.509 15.837 580 HZ2 LYS 65 1HZ LYS 65 -0.036 -4.658 17.087 581 HZ3 LYS 65 2HZ LYS 65 0.887 -5.318 15.833 582 H GLN 66 H GLN 66 4.770 -3.191 12.260 583 HA GLN 66 HA GLN 66 3.816 -5.781 12.267 584 HB2 GLN 66 1HB GLN 66 4.975 -4.040 10.389 585 HB3 GLN 66 2HB GLN 66 5.925 -5.517 10.317 586 HG2 GLN 66 1HG GLN 66 3.016 -5.908 10.358 587 HG3 GLN 66 2HG GLN 66 3.649 -5.088 8.932 588 HE21 GLN 66 2HE2 GLN 66 2.738 -7.973 9.970 589 HE22 GLN 66 1HE2 GLN 66 3.802 -8.999 9.076 590 H LYS 67 H LYS 67 7.274 -4.962 11.946 591 HA LYS 67 HA LYS 67 7.961 -7.591 13.009 592 HB2 LYS 67 1HB LYS 67 10.296 -6.924 12.360 593 HB3 LYS 67 2HB LYS 67 9.152 -6.998 11.026 594 HG2 LYS 67 1HG LYS 67 8.986 -4.630 10.928 595 HG3 LYS 67 2HG LYS 67 9.877 -4.446 12.441 596 HD2 LYS 67 1HD LYS 67 11.029 -5.668 9.936 597 HD3 LYS 67 2HD LYS 67 11.221 -3.973 10.388 598 HE2 LYS 67 1HE LYS 67 12.082 -4.998 12.643 599 HE3 LYS 67 2HE LYS 67 12.375 -6.421 11.644 600 HZ1 LYS 67 3HZ LYS 67 13.356 -3.774 10.795 601 HZ2 LYS 67 1HZ LYS 67 13.924 -5.308 10.364 602 HZ3 LYS 67 2HZ LYS 67 14.235 -4.694 11.909 603 HA PRO 68 HA PRO 68 9.092 -6.216 17.022 604 HB2 PRO 68 1HB PRO 68 11.210 -7.827 17.564 605 HB3 PRO 68 2HB PRO 68 9.543 -8.413 17.522 606 HG2 PRO 68 1HG PRO 68 11.667 -8.593 15.420 607 HG3 PRO 68 2HG PRO 68 10.509 -9.827 15.949 608 HD2 PRO 68 1HD PRO 68 10.153 -8.366 13.698 609 HD3 PRO 68 2HD PRO 68 8.796 -8.942 14.687
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