NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
495153 | 2l3n | 17199 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H1 SER 1 -9.623 -18.661 7.194 2 H2 SER 1 H2 SER 1 -8.464 -19.691 6.663 3 H3 SER 1 H3 SER 1 -8.914 -19.707 8.238 4 HA SER 1 HA SER 1 -8.080 -17.479 8.574 5 HB2 SER 1 HB2 SER 1 -5.974 -19.375 7.456 6 HB3 SER 1 HB3 SER 1 -5.696 -18.015 8.560 7 HG SER 1 HG SER 1 -5.881 -20.009 9.692 8 H VAL 2 H VAL 2 -6.734 -15.724 7.809 9 HA VAL 2 HA VAL 2 -6.410 -15.445 4.858 10 HB VAL 2 HB VAL 2 -7.175 -13.100 4.977 11 HG11 VAL 2 HG11 VAL 2 -9.357 -15.046 5.807 12 HG12 VAL 2 HG12 VAL 2 -9.548 -13.535 4.900 13 HG13 VAL 2 HG13 VAL 2 -8.679 -14.895 4.170 14 HG21 VAL 2 HG21 VAL 2 -8.298 -13.795 7.727 15 HG22 VAL 2 HG22 VAL 2 -6.957 -12.669 7.412 16 HG23 VAL 2 HG23 VAL 2 -8.581 -12.301 6.811 17 H SER 3 H SER 3 -4.870 -13.842 4.199 18 HA SER 3 HA SER 3 -2.461 -13.849 5.742 19 HB2 SER 3 HB2 SER 3 -3.198 -12.123 3.351 20 HB3 SER 3 HB3 SER 3 -1.563 -12.406 3.976 21 HG SER 3 HG SER 3 -2.073 -13.812 2.211 22 H ILE 4 H ILE 4 -1.289 -12.182 6.713 23 HA ILE 4 HA ILE 4 -2.814 -10.134 8.085 24 HB ILE 4 HB ILE 4 -0.838 -9.511 9.195 25 HG12 ILE 4 HG12 ILE 4 0.849 -9.409 7.490 26 HG13 ILE 4 HG13 ILE 4 1.384 -10.374 8.846 27 HG21 ILE 4 HG21 ILE 4 -1.959 -11.551 9.940 28 HG22 ILE 4 HG22 ILE 4 -0.856 -12.542 8.966 29 HG23 ILE 4 HG23 ILE 4 -0.228 -11.569 10.309 30 HD11 ILE 4 HD11 ILE 4 0.537 -11.418 6.115 31 HD12 ILE 4 HD12 ILE 4 2.166 -11.367 6.794 32 HD13 ILE 4 HD13 ILE 4 0.966 -12.456 7.503 33 H LEU 5 H LEU 5 -2.330 -7.832 8.098 34 HA LEU 5 HA LEU 5 -2.083 -6.705 5.406 35 HB2 LEU 5 HB2 LEU 5 -2.311 -5.358 8.123 36 HB3 LEU 5 HB3 LEU 5 -2.383 -4.537 6.566 37 HG LEU 5 HG LEU 5 -4.401 -6.595 7.576 38 HD11 LEU 5 HD11 LEU 5 -4.488 -4.428 8.757 39 HD12 LEU 5 HD12 LEU 5 -4.621 -3.579 7.197 40 HD13 LEU 5 HD13 LEU 5 -5.916 -4.672 7.734 41 HD21 LEU 5 HD21 LEU 5 -4.394 -4.907 5.030 42 HD22 LEU 5 HD22 LEU 5 -4.300 -6.684 5.123 43 HD23 LEU 5 HD23 LEU 5 -5.772 -5.857 5.632 44 H ARG 6 H ARG 6 -0.449 -5.516 4.559 45 HA ARG 6 HA ARG 6 2.111 -5.134 6.040 46 HB2 ARG 6 HB2 ARG 6 2.171 -7.395 5.071 47 HB3 ARG 6 HB3 ARG 6 1.783 -6.762 3.482 48 HG2 ARG 6 HG2 ARG 6 4.124 -7.344 3.665 49 HG3 ARG 6 HG3 ARG 6 3.972 -5.624 3.358 50 HD2 ARG 6 HD2 ARG 6 4.264 -6.663 6.195 51 HD3 ARG 6 HD3 ARG 6 5.678 -6.554 5.140 52 HE ARG 6 HE ARG 6 4.762 -4.056 4.833 53 HH11 ARG 6 HH11 ARG 6 5.357 -5.832 7.805 54 HH12 ARG 6 HH12 ARG 6 5.778 -4.383 8.677 55 HH21 ARG 6 HH21 ARG 6 5.274 -2.309 5.954 56 HH22 ARG 6 HH22 ARG 6 5.727 -2.401 7.645 57 H SER 7 H SER 7 1.971 -2.945 5.925 58 HA SER 7 HA SER 7 1.478 -1.454 3.492 59 HB2 SER 7 HB2 SER 7 2.797 -0.549 6.077 60 HB3 SER 7 HB3 SER 7 2.184 0.498 4.782 61 HG SER 7 HG SER 7 0.647 0.252 6.488 62 H SER 8 H SER 8 2.947 -0.294 2.184 63 HA SER 8 HA SER 8 5.581 -1.524 1.865 64 HB2 SER 8 HB2 SER 8 5.671 -0.205 -0.202 65 HB3 SER 8 HB3 SER 8 4.170 -1.139 -0.072 66 HG SER 8 HG SER 8 3.764 1.030 -0.742 67 H VAL 9 H VAL 9 7.500 -0.194 1.418 68 HA VAL 9 HA VAL 9 7.698 2.308 3.038 69 HB VAL 9 HB VAL 9 8.394 0.254 4.279 70 HG11 VAL 9 HG11 VAL 9 10.820 0.241 2.446 71 HG12 VAL 9 HG12 VAL 9 10.555 -0.764 3.879 72 HG13 VAL 9 HG13 VAL 9 9.526 -0.979 2.457 73 HG21 VAL 9 HG21 VAL 9 9.134 2.512 4.938 74 HG22 VAL 9 HG22 VAL 9 10.276 1.233 5.366 75 HG23 VAL 9 HG23 VAL 9 10.621 2.286 3.988 76 H ASN 10 H ASN 10 7.468 1.873 0.111 77 HA ASN 10 HA ASN 10 10.005 1.986 -1.130 78 HB2 ASN 10 HB2 ASN 10 7.917 1.244 -2.207 79 HB3 ASN 10 HB3 ASN 10 7.299 2.901 -2.182 80 HD21 ASN 10 HD22 ASN 10 10.226 1.060 -3.300 81 HD22 ASN 10 HD21 ASN 10 10.322 1.948 -4.825 82 H HIS 11 H HIS 11 8.271 4.680 0.333 83 HA HIS 11 HA HIS 11 9.742 6.781 -0.978 84 HB2 HIS 11 HB2 HIS 11 8.264 6.559 1.647 85 HB3 HIS 11 HB3 HIS 11 9.278 7.963 1.321 86 HD2 HIS 11 HD2 HIS 11 5.885 6.539 0.444 87 HE1 HIS 11 HE1 HIS 11 6.474 9.764 -2.289 88 HE2 HIS 11 HE2 HIS 11 4.781 8.086 -1.383 89 H ARG 12 H ARG 12 10.791 4.560 1.612 90 HA ARG 12 HA ARG 12 13.268 5.997 2.122 91 HB2 ARG 12 HB2 ARG 12 12.230 4.293 3.655 92 HB3 ARG 12 HB3 ARG 12 12.635 3.044 2.457 93 HG2 ARG 12 HG2 ARG 12 14.203 3.154 4.379 94 HG3 ARG 12 HG3 ARG 12 14.992 3.317 2.818 95 HD2 ARG 12 HD2 ARG 12 15.325 5.695 3.127 96 HD3 ARG 12 HD3 ARG 12 14.315 5.702 4.588 97 HE ARG 12 HE ARG 12 16.201 3.896 5.285 98 HH11 ARG 12 HH11 ARG 12 16.742 7.152 3.929 99 HH12 ARG 12 HH12 ARG 12 18.229 7.291 4.817 100 HH21 ARG 12 HH21 ARG 12 18.109 4.209 6.296 101 HH22 ARG 12 HH22 ARG 12 18.989 5.692 6.085 102 H GLU 13 H GLU 13 12.298 3.477 -0.188 103 HA GLU 13 HA GLU 13 14.970 2.980 -1.220 104 HB2 GLU 13 HB2 GLU 13 12.203 2.527 -2.377 105 HB3 GLU 13 HB3 GLU 13 13.708 1.939 -3.105 106 HG2 GLU 13 HG2 GLU 13 14.152 0.607 -1.057 107 HG3 GLU 13 HG3 GLU 13 12.614 1.151 -0.374 108 H VAL 14 H VAL 14 12.291 5.185 -2.196 109 HA VAL 14 HA VAL 14 13.748 6.420 -4.366 110 HB VAL 14 HB VAL 14 11.426 7.420 -2.672 111 HG11 VAL 14 HG11 VAL 14 12.572 8.525 -5.269 112 HG12 VAL 14 HG12 VAL 14 11.026 9.029 -4.534 113 HG13 VAL 14 HG13 VAL 14 12.558 9.346 -3.704 114 HG21 VAL 14 HG21 VAL 14 10.910 5.407 -4.077 115 HG22 VAL 14 HG22 VAL 14 10.059 6.843 -4.636 116 HG23 VAL 14 HG23 VAL 14 11.500 6.273 -5.507 117 H ASP 15 H ASP 15 13.499 7.235 -0.861 118 HA ASP 15 HA ASP 15 15.182 9.563 -0.951 119 HB2 ASP 15 HB2 ASP 15 13.807 9.127 0.957 120 HB3 ASP 15 HB3 ASP 15 14.504 7.528 1.180 121 H GLU 16 H GLU 16 16.029 6.076 -0.485 122 HA GLU 16 HA GLU 16 18.854 6.435 -0.310 123 HB2 GLU 16 HB2 GLU 16 17.752 4.375 0.330 124 HB3 GLU 16 HB3 GLU 16 17.125 4.130 -1.298 125 HG2 GLU 16 HG2 GLU 16 19.377 3.820 -2.198 126 HG3 GLU 16 HG3 GLU 16 20.091 4.190 -0.619 127 H ALA 17 H ALA 17 16.745 6.020 -3.210 128 HA ALA 17 HA ALA 17 18.897 6.014 -5.081 129 HB1 ALA 17 HB1 ALA 17 15.985 6.863 -5.461 130 HB2 ALA 17 HB2 ALA 17 17.129 6.457 -6.755 131 HB3 ALA 17 HB3 ALA 17 16.620 5.209 -5.607 132 H ILE 18 H ILE 18 16.889 8.711 -3.773 133 HA ILE 18 HA ILE 18 18.167 10.878 -5.141 134 HB ILE 18 HB ILE 18 16.748 10.627 -2.476 135 HG12 ILE 18 HG12 ILE 18 15.905 12.212 -4.924 136 HG13 ILE 18 HG13 ILE 18 15.573 10.486 -4.808 137 HG21 ILE 18 HG21 ILE 18 17.908 13.166 -3.695 138 HG22 ILE 18 HG22 ILE 18 16.701 13.148 -2.390 139 HG23 ILE 18 HG23 ILE 18 18.290 12.458 -2.110 140 HD11 ILE 18 HD11 ILE 18 14.587 12.582 -2.840 141 HD12 ILE 18 HD12 ILE 18 13.645 11.744 -4.085 142 HD13 ILE 18 HD13 ILE 18 14.310 10.832 -2.722 143 H ASP 19 H ASP 19 18.994 9.345 -1.968 144 HA ASP 19 HA ASP 19 21.250 10.939 -1.428 145 HB2 ASP 19 HB2 ASP 19 19.929 9.102 -0.032 146 HB3 ASP 19 HB3 ASP 19 21.200 8.038 -0.618 147 H ASN 20 H ASN 20 21.056 7.857 -3.282 148 HA ASN 20 HA ASN 20 23.835 7.758 -3.915 149 HB2 ASN 20 HB2 ASN 20 22.142 5.866 -4.070 150 HB3 ASN 20 HB3 ASN 20 21.540 6.611 -5.550 151 HD21 ASN 20 HD21 ASN 20 22.201 4.862 -6.909 152 HD22 ASN 20 HD22 ASN 20 23.896 4.500 -7.173 153 H ILE 21 H ILE 21 21.138 9.543 -5.497 154 HA ILE 21 HA ILE 21 22.769 10.445 -7.723 155 HB ILE 21 HB ILE 21 20.146 11.405 -6.566 156 HG12 ILE 21 HG12 ILE 21 20.882 10.450 -9.358 157 HG13 ILE 21 HG13 ILE 21 20.428 9.332 -8.067 158 HG21 ILE 21 HG21 ILE 21 20.089 13.065 -8.472 159 HG22 ILE 21 HG22 ILE 21 21.222 13.479 -7.204 160 HG23 ILE 21 HG23 ILE 21 21.820 12.766 -8.714 161 HD11 ILE 21 HD11 ILE 21 18.653 11.520 -9.202 162 HD12 ILE 21 HD12 ILE 21 18.482 9.775 -9.419 163 HD13 ILE 21 HD13 ILE 21 18.235 10.491 -7.815 164 H LEU 22 H LEU 22 22.229 11.833 -4.415 165 HA LEU 22 HA LEU 22 23.835 14.160 -4.841 166 HB2 LEU 22 HB2 LEU 22 23.854 12.630 -2.226 167 HB3 LEU 22 HB3 LEU 22 24.064 14.343 -2.501 168 HG LEU 22 HG LEU 22 21.554 12.721 -2.613 169 HD11 LEU 22 HD11 LEU 22 22.332 15.086 -0.896 170 HD12 LEU 22 HD12 LEU 22 20.818 14.153 -0.802 171 HD13 LEU 22 HD13 LEU 22 22.359 13.384 -0.397 172 HD21 LEU 22 HD21 LEU 22 21.888 15.642 -3.410 173 HD22 LEU 22 HD22 LEU 22 21.309 14.331 -4.443 174 HD23 LEU 22 HD23 LEU 22 20.319 14.850 -3.077 175 H ARG 23 H ARG 23 24.725 10.904 -3.734 176 HA ARG 23 HA ARG 23 27.544 11.239 -3.451 177 HB2 ARG 23 HB2 ARG 23 26.265 9.427 -2.478 178 HB3 ARG 23 HB3 ARG 23 25.700 8.904 -4.051 179 HG2 ARG 23 HG2 ARG 23 27.981 8.191 -4.684 180 HG3 ARG 23 HG3 ARG 23 28.586 8.722 -3.100 181 HD2 ARG 23 HD2 ARG 23 27.169 7.091 -1.969 182 HD3 ARG 23 HD3 ARG 23 26.348 6.668 -3.465 183 HE ARG 23 HE ARG 23 29.143 5.967 -2.679 184 HH11 ARG 23 HH11 ARG 23 26.542 5.436 -5.028 185 HH12 ARG 23 HH12 ARG 23 27.413 4.125 -5.771 186 HH21 ARG 23 HH22 ARG 23 30.139 4.292 -3.688 187 HH22 ARG 23 HH21 ARG 23 29.380 3.493 -5.031 188 H TYR 24 H TYR 24 25.654 10.125 -6.314 189 HA TYR 24 HA TYR 24 27.910 9.739 -8.023 190 HB2 TYR 24 HB2 TYR 24 25.738 8.702 -8.393 191 HB3 TYR 24 HB3 TYR 24 24.963 10.274 -8.547 192 HD1 TYR 24 HD2 TYR 24 27.807 8.346 -10.129 193 HD2 TYR 24 HD1 TYR 24 24.441 10.990 -10.707 194 HE1 TYR 24 HE2 TYR 24 28.176 8.284 -12.589 195 HE2 TYR 24 HE1 TYR 24 24.810 10.918 -13.170 196 HH TYR 24 HH TYR 24 26.086 10.067 -14.897 197 H THR 25 H THR 25 25.802 12.618 -7.543 198 HA THR 25 HA THR 25 27.304 14.113 -9.605 199 HB THR 25 HB THR 25 25.668 15.881 -9.285 200 HG1 THR 25 HG1 THR 25 24.308 14.140 -7.508 201 HG21 THR 25 HG21 THR 25 25.096 14.011 -10.835 202 HG22 THR 25 HG22 THR 25 24.267 13.180 -9.500 203 HG23 THR 25 HG23 THR 25 23.679 14.754 -10.070 204 H ASN 26 H ASN 26 27.880 13.572 -6.378 205 HA ASN 26 HA ASN 26 29.036 14.550 -4.745 206 HB2 ASN 26 HB2 ASN 26 30.805 14.377 -6.510 207 HB3 ASN 26 HB3 ASN 26 30.501 16.064 -6.940 208 HD21 ASN 26 HD22 ASN 26 32.902 16.132 -6.398 209 HD22 ASN 26 HD21 ASN 26 33.313 16.420 -4.714 210 H SER 27 H SER 27 26.690 15.461 -4.650 211 HA SER 27 HA SER 27 26.778 18.444 -4.331 212 HB2 SER 27 HB2 SER 27 24.643 18.600 -5.447 213 HB3 SER 27 HB3 SER 27 25.754 17.718 -6.510 214 HG SER 27 HG SER 27 24.462 16.054 -6.381 215 H THR 28 H THR 28 24.651 19.237 -3.295 216 HA THR 28 HA THR 28 23.840 17.490 -1.001 217 HB THR 28 HB THR 28 23.017 19.436 0.096 218 HG1 THR 28 HG1 THR 28 23.316 21.507 -0.973 219 HG21 THR 28 HG21 THR 28 25.512 19.099 0.201 220 HG22 THR 28 HG22 THR 28 25.678 20.267 -1.127 221 HG23 THR 28 HG23 THR 28 24.994 20.780 0.428 222 H GLU 29 H GLU 29 21.547 17.476 -0.388 223 HA GLU 29 HA GLU 29 19.750 17.060 -2.613 224 HB2 GLU 29 HB2 GLU 29 17.974 16.980 -0.889 225 HB3 GLU 29 HB3 GLU 29 19.282 15.861 -0.620 226 HG2 GLU 29 HG2 GLU 29 19.297 18.539 0.811 227 HG3 GLU 29 HG3 GLU 29 18.252 17.244 1.361 228 H GLN 30 H GLN 30 20.500 19.992 -0.729 229 HA GLN 30 HA GLN 30 18.283 21.555 -1.744 230 HB2 GLN 30 HB2 GLN 30 21.058 22.370 -0.770 231 HB3 GLN 30 HB3 GLN 30 19.746 23.502 -1.144 232 HG2 GLN 30 HG2 GLN 30 18.346 22.528 0.618 233 HG3 GLN 30 HG3 GLN 30 19.574 21.316 0.990 234 HE21 GLN 30 HE22 GLN 30 18.901 24.867 1.078 235 HE22 GLN 30 HE21 GLN 30 20.099 25.175 2.324 236 H GLN 31 H GLN 31 21.664 21.058 -2.910 237 HA GLN 31 HA GLN 31 21.415 22.722 -5.241 238 HB2 GLN 31 HB2 GLN 31 23.196 20.362 -4.543 239 HB3 GLN 31 HB3 GLN 31 23.388 21.320 -6.016 240 HG2 GLN 31 HG2 GLN 31 23.937 23.305 -4.821 241 HG3 GLN 31 HG3 GLN 31 23.448 22.628 -3.270 242 HE21 GLN 31 HE22 GLN 31 25.909 23.723 -3.247 243 HE22 GLN 31 HE21 GLN 31 27.135 22.468 -3.280 244 H PHE 32 H PHE 32 20.789 19.191 -4.759 245 HA PHE 32 HA PHE 32 20.057 18.743 -7.499 246 HB2 PHE 32 HB2 PHE 32 20.804 16.976 -5.984 247 HB3 PHE 32 HB3 PHE 32 19.392 17.223 -4.967 248 HD1 PHE 32 HD2 PHE 32 19.107 17.150 -8.727 249 HD2 PHE 32 HD1 PHE 32 18.796 14.909 -5.055 250 HE1 PHE 32 HE2 PHE 32 17.848 15.385 -9.905 251 HE2 PHE 32 HE1 PHE 32 17.556 13.130 -6.258 252 HZ PHE 32 HZ PHE 32 17.035 13.382 -8.669 253 H LEU 33 H LEU 33 18.035 19.666 -4.640 254 HA LEU 33 HA LEU 33 15.548 19.621 -6.048 255 HB2 LEU 33 HB2 LEU 33 15.757 19.635 -3.641 256 HB3 LEU 33 HB3 LEU 33 16.487 21.230 -3.638 257 HG LEU 33 HG LEU 33 14.130 21.128 -2.814 258 HD11 LEU 33 HD11 LEU 33 15.091 23.241 -3.777 259 HD12 LEU 33 HD12 LEU 33 14.255 22.867 -5.300 260 HD13 LEU 33 HD13 LEU 33 13.326 23.099 -3.817 261 HD21 LEU 33 HD21 LEU 33 13.262 19.416 -4.390 262 HD22 LEU 33 HD22 LEU 33 12.281 20.890 -4.384 263 HD23 LEU 33 HD23 LEU 33 13.389 20.589 -5.726 264 H GLU 34 H GLU 34 17.918 22.285 -5.641 265 HA GLU 34 HA GLU 34 16.481 24.161 -7.266 266 HB2 GLU 34 HB2 GLU 34 19.414 23.888 -6.528 267 HB3 GLU 34 HB3 GLU 34 18.800 25.206 -7.532 268 HG2 GLU 34 HG2 GLU 34 17.234 25.875 -5.738 269 HG3 GLU 34 HG3 GLU 34 17.846 24.593 -4.701 270 H ALA 35 H ALA 35 18.928 21.717 -8.217 271 HA ALA 35 HA ALA 35 18.956 22.428 -10.989 272 HB1 ALA 35 HB1 ALA 35 19.997 20.228 -11.306 273 HB2 ALA 35 HB2 ALA 35 20.681 21.035 -9.884 274 HB3 ALA 35 HB3 ALA 35 19.495 19.726 -9.675 275 H MET 36 H MET 36 16.868 20.098 -9.188 276 HA MET 36 HA MET 36 15.342 19.235 -11.485 277 HB2 MET 36 HB2 MET 36 14.812 19.291 -8.488 278 HB3 MET 36 HB3 MET 36 13.652 18.638 -9.647 279 HG2 MET 36 HG2 MET 36 16.529 17.676 -9.568 280 HG3 MET 36 HG3 MET 36 15.307 17.003 -8.512 281 HE1 MET 36 HE1 MET 36 13.635 15.310 -9.028 282 HE2 MET 36 HE2 MET 36 12.680 16.487 -9.958 283 HE3 MET 36 HE3 MET 36 13.020 14.886 -10.640 284 H GLU 37 H GLU 37 14.785 21.911 -9.129 285 HA GLU 37 HA GLU 37 12.303 22.768 -10.237 286 HB2 GLU 37 HB2 GLU 37 13.515 23.408 -8.003 287 HB3 GLU 37 HB3 GLU 37 14.379 24.592 -8.973 288 HG2 GLU 37 HG2 GLU 37 12.637 25.844 -8.138 289 HG3 GLU 37 HG3 GLU 37 11.968 25.387 -9.698 290 H SER 38 H SER 38 15.671 23.703 -11.051 291 HA SER 38 HA SER 38 15.000 25.668 -13.035 292 HB2 SER 38 HB2 SER 38 17.157 25.466 -11.809 293 HB3 SER 38 HB3 SER 38 17.521 23.994 -12.732 294 HG SER 38 HG SER 38 18.454 25.954 -13.619 295 H THR 39 H THR 39 15.294 22.130 -13.236 296 HA THR 39 HA THR 39 15.228 22.229 -16.222 297 HB THR 39 HB THR 39 15.994 19.895 -16.148 298 HG1 THR 39 HG1 THR 39 16.462 20.308 -13.404 299 HG21 THR 39 HG21 THR 39 17.691 21.647 -16.315 300 HG22 THR 39 HG22 THR 39 17.739 21.835 -14.556 301 HG23 THR 39 HG23 THR 39 18.282 20.320 -15.294 302 H GLY 40 H GLY 40 12.891 22.124 -13.958 303 HA2 GLY 40 HA2 GLY 40 10.642 21.699 -14.244 304 HA3 GLY 40 HA3 GLY 40 10.968 21.033 -15.850 305 H GLY 41 H GLY 41 12.604 19.728 -13.012 306 HA2 GLY 41 HA2 GLY 41 12.233 17.862 -11.712 307 HA3 GLY 41 HA3 GLY 41 10.644 17.644 -12.451 308 H ARG 42 H ARG 42 13.083 17.750 -14.877 309 HA ARG 42 HA ARG 42 12.918 14.829 -15.314 310 HB2 ARG 42 HB2 ARG 42 14.070 17.218 -16.791 311 HB3 ARG 42 HB3 ARG 42 14.605 15.606 -17.234 312 HG2 ARG 42 HG2 ARG 42 11.652 16.334 -17.154 313 HG3 ARG 42 HG3 ARG 42 12.682 16.575 -18.582 314 HD2 ARG 42 HD2 ARG 42 13.295 14.126 -18.497 315 HD3 ARG 42 HD3 ARG 42 12.083 13.922 -17.212 316 HE ARG 42 HE ARG 42 10.825 15.236 -19.395 317 HH11 ARG 42 HH22 ARG 42 12.091 12.025 -18.723 318 HH12 ARG 42 HH21 ARG 42 11.009 11.275 -19.861 319 HH21 ARG 42 HH12 ARG 42 9.486 14.201 -20.822 320 HH22 ARG 42 HH11 ARG 42 9.578 12.478 -21.018 321 H VAL 43 H VAL 43 14.026 13.710 -13.776 322 HA VAL 43 HA VAL 43 16.313 14.477 -12.380 323 HB VAL 43 HB VAL 43 15.563 11.634 -13.168 324 HG11 VAL 43 HG11 VAL 43 16.750 11.033 -11.026 325 HG12 VAL 43 HG12 VAL 43 17.852 11.651 -12.253 326 HG13 VAL 43 HG13 VAL 43 17.345 12.701 -10.917 327 HG21 VAL 43 HG21 VAL 43 13.732 12.840 -11.964 328 HG22 VAL 43 HG22 VAL 43 14.438 11.549 -10.989 329 HG23 VAL 43 HG23 VAL 43 14.881 13.246 -10.667 330 H ARG 44 H ARG 44 16.325 12.760 -15.571 331 HA ARG 44 HA ARG 44 19.157 12.487 -15.708 332 HB2 ARG 44 HB2 ARG 44 18.873 11.971 -18.009 333 HB3 ARG 44 HB3 ARG 44 17.550 11.256 -17.103 334 HG2 ARG 44 HG2 ARG 44 16.048 13.164 -17.897 335 HG3 ARG 44 HG3 ARG 44 17.413 13.730 -18.886 336 HD2 ARG 44 HD2 ARG 44 17.478 11.513 -20.022 337 HD3 ARG 44 HD3 ARG 44 16.049 11.020 -19.081 338 HE ARG 44 HE ARG 44 15.572 13.499 -20.491 339 HH11 ARG 44 HH11 ARG 44 15.784 10.065 -21.146 340 HH12 ARG 44 HH12 ARG 44 14.778 10.178 -22.563 341 HH21 ARG 44 HH21 ARG 44 14.279 13.575 -22.307 342 HH22 ARG 44 HH22 ARG 44 13.943 12.118 -23.192 343 H ILE 45 H ILE 45 17.150 15.267 -16.644 344 HA ILE 45 HA ILE 45 19.416 16.709 -17.833 345 HB ILE 45 HB ILE 45 16.680 17.799 -17.082 346 HG12 ILE 45 HG12 ILE 45 17.649 16.640 -19.742 347 HG13 ILE 45 HG13 ILE 45 16.447 15.912 -18.683 348 HG21 ILE 45 HG21 ILE 45 18.559 19.490 -17.501 349 HG22 ILE 45 HG22 ILE 45 18.739 18.806 -19.119 350 HG23 ILE 45 HG23 ILE 45 17.231 19.614 -18.645 351 HD11 ILE 45 HD11 ILE 45 14.981 17.940 -19.031 352 HD12 ILE 45 HD12 ILE 45 16.129 18.465 -20.281 353 HD13 ILE 45 HD13 ILE 45 15.261 16.940 -20.465 354 H ALA 46 H ALA 46 17.652 16.681 -14.712 355 HA ALA 46 HA ALA 46 18.992 18.868 -13.504 356 HB1 ALA 46 HB1 ALA 46 17.837 16.351 -12.215 357 HB2 ALA 46 HB2 ALA 46 18.163 17.901 -11.408 358 HB3 ALA 46 HB3 ALA 46 16.910 17.792 -12.662 359 H ILE 47 H ILE 47 19.818 15.316 -13.332 360 HA ILE 47 HA ILE 47 22.247 15.860 -11.883 361 HB ILE 47 HB ILE 47 22.845 13.572 -12.160 362 HG12 ILE 47 HG12 ILE 47 20.638 13.363 -14.221 363 HG13 ILE 47 HG13 ILE 47 22.360 13.138 -14.476 364 HG21 ILE 47 HG21 ILE 47 21.082 14.303 -10.527 365 HG22 ILE 47 HG22 ILE 47 19.846 13.729 -11.660 366 HG23 ILE 47 HG23 ILE 47 21.012 12.590 -10.975 367 HD11 ILE 47 HD11 ILE 47 22.287 11.142 -12.948 368 HD12 ILE 47 HD12 ILE 47 20.515 11.314 -12.892 369 HD13 ILE 47 HD13 ILE 47 21.322 10.975 -14.427 370 H ALA 48 H ALA 48 21.597 15.556 -15.419 371 HA ALA 48 HA ALA 48 24.286 15.759 -16.272 372 HB1 ALA 48 HB1 ALA 48 23.242 16.660 -18.367 373 HB2 ALA 48 HB2 ALA 48 22.427 15.206 -17.759 374 HB3 ALA 48 HB3 ALA 48 21.691 16.800 -17.497 375 H LYS 49 H LYS 49 21.974 18.478 -15.556 376 HA LYS 49 HA LYS 49 23.947 20.548 -16.101 377 HB2 LYS 49 HB2 LYS 49 21.298 20.543 -14.582 378 HB3 LYS 49 HB3 LYS 49 22.248 21.995 -14.840 379 HG2 LYS 49 HG2 LYS 49 21.083 20.237 -17.049 380 HG3 LYS 49 HG3 LYS 49 20.372 21.729 -16.457 381 HD2 LYS 49 HD2 LYS 49 23.032 21.469 -17.928 382 HD3 LYS 49 HD3 LYS 49 21.499 22.035 -18.596 383 HE2 LYS 49 HE2 LYS 49 21.488 23.924 -16.939 384 HE3 LYS 49 HE3 LYS 49 23.077 23.407 -16.365 385 HZ1 LYS 49 HZ1 LYS 49 23.943 23.801 -18.630 386 HZ2 LYS 49 HZ2 LYS 49 22.471 24.301 -19.148 387 HZ3 LYS 49 HZ3 LYS 49 23.283 25.164 -18.025 388 H LEU 50 H LEU 50 22.947 18.869 -13.123 389 HA LEU 50 HA LEU 50 24.549 20.434 -11.350 390 HB2 LEU 50 HB2 LEU 50 22.567 19.039 -10.819 391 HB3 LEU 50 HB3 LEU 50 23.512 17.578 -11.121 392 HG LEU 50 HG LEU 50 24.910 18.050 -9.151 393 HD11 LEU 50 HD11 LEU 50 23.128 20.501 -8.770 394 HD12 LEU 50 HD12 LEU 50 24.291 19.862 -7.587 395 HD13 LEU 50 HD13 LEU 50 24.878 20.521 -9.111 396 HD21 LEU 50 HD21 LEU 50 23.042 17.818 -7.459 397 HD22 LEU 50 HD22 LEU 50 21.893 18.252 -8.736 398 HD23 LEU 50 HD23 LEU 50 22.845 16.761 -8.868 399 H LEU 51 H LEU 51 25.396 17.539 -13.285 400 HA LEU 51 HA LEU 51 28.118 17.391 -12.253 401 HB2 LEU 51 HB2 LEU 51 26.685 16.284 -14.694 402 HB3 LEU 51 HB3 LEU 51 28.400 16.022 -14.437 403 HG LEU 51 HG LEU 51 26.324 15.209 -12.369 404 HD11 LEU 51 HD11 LEU 51 27.571 13.539 -14.588 405 HD12 LEU 51 HD12 LEU 51 26.537 12.928 -13.279 406 HD13 LEU 51 HD13 LEU 51 25.865 14.037 -14.486 407 HD21 LEU 51 HD21 LEU 51 29.226 14.394 -12.842 408 HD22 LEU 51 HD22 LEU 51 28.612 15.352 -11.477 409 HD23 LEU 51 HD23 LEU 51 28.145 13.648 -11.660 410 H SER 52 H SER 52 26.757 18.681 -15.330 411 HA SER 52 HA SER 52 29.341 19.668 -16.169 412 HB2 SER 52 HB2 SER 52 26.611 19.908 -17.464 413 HB3 SER 52 HB3 SER 52 28.166 20.310 -18.228 414 HG SER 52 HG SER 52 27.471 18.157 -18.721 415 H LYS 53 H LYS 53 27.721 21.103 -13.869 416 HA LYS 53 HA LYS 53 27.279 23.784 -14.579 417 HB2 LYS 53 HB2 LYS 53 27.449 24.256 -12.189 418 HB3 LYS 53 HB3 LYS 53 26.538 22.784 -12.491 419 HG2 LYS 53 HG2 LYS 53 28.619 21.450 -11.946 420 HG3 LYS 53 HG3 LYS 53 29.430 22.967 -11.506 421 HD2 LYS 53 HD2 LYS 53 27.685 23.394 -9.798 422 HD3 LYS 53 HD3 LYS 53 26.874 21.887 -10.220 423 HE2 LYS 53 HE2 LYS 53 29.685 22.179 -9.044 424 HE3 LYS 53 HE3 LYS 53 28.232 21.690 -8.171 425 HZ1 LYS 53 HZ1 LYS 53 29.644 20.137 -10.282 426 HZ2 LYS 53 HZ2 LYS 53 29.391 19.705 -8.734 427 HZ3 LYS 53 HZ3 LYS 53 28.129 19.736 -9.795 428 H GLN 54 H GLN 54 30.366 22.247 -14.144 429 HA GLN 54 HA GLN 54 31.708 24.697 -15.100 430 HB2 GLN 54 HB2 GLN 54 31.896 24.655 -12.592 431 HB3 GLN 54 HB3 GLN 54 32.716 23.091 -12.713 432 HG2 GLN 54 HG2 GLN 54 34.553 24.149 -14.011 433 HG3 GLN 54 HG3 GLN 54 33.712 25.699 -13.955 434 HE21 GLN 54 HE22 GLN 54 36.141 25.990 -13.050 435 HE22 GLN 54 HE21 GLN 54 36.220 25.956 -11.295 436 H THR 55 H THR 55 33.186 24.225 -16.666 437 HA THR 55 HA THR 55 34.249 21.468 -17.007 438 HB THR 55 HB THR 55 33.626 21.574 -19.452 439 HG1 THR 55 HG1 THR 55 31.897 22.952 -19.995 440 HG21 THR 55 HG21 THR 55 32.397 20.176 -17.846 441 HG22 THR 55 HG22 THR 55 31.248 21.514 -17.568 442 HG23 THR 55 HG23 THR 55 31.384 20.756 -19.176 443 H SER 56 H SER 56 35.844 21.272 -18.700 444 HA SER 56 HA SER 56 37.955 23.145 -18.528 445 HB2 SER 56 HB2 SER 56 37.382 20.890 -20.485 446 HB3 SER 56 HB3 SER 56 38.966 21.684 -20.288 447 HG SER 56 HG SER 56 38.806 19.751 -19.025 448 H GLY 57 H GLY 57 35.295 23.073 -20.824 449 HA2 GLY 57 HA2 GLY 57 34.712 24.528 -22.528 450 HA3 GLY 57 HA3 GLY 57 36.111 25.524 -22.144 451 H GLY 58 H GLY 58 35.884 25.650 -24.600 452 HA2 GLY 58 HA2 GLY 58 38.113 24.487 -25.866 453 HA3 GLY 58 HA3 GLY 58 36.719 23.505 -26.319 454 H SER 59 H SER 59 38.058 24.712 -28.305 455 HA SER 59 HA SER 59 37.159 27.369 -28.969 456 HB2 SER 59 HB2 SER 59 38.352 25.243 -30.781 457 HB3 SER 59 HB3 SER 59 38.301 26.985 -31.092 458 HG SER 59 HG SER 59 39.691 27.302 -29.306 459 H GLY 60 H GLY 60 35.616 24.292 -29.445 460 HA2 GLY 60 HA2 GLY 60 33.173 25.309 -30.374 461 HA3 GLY 60 HA3 GLY 60 34.081 24.839 -31.816 462 H GLY 61 H GLY 61 31.857 23.542 -31.628 463 HA2 GLY 61 HA2 GLY 61 31.878 21.087 -30.072 464 HA3 GLY 61 HA3 GLY 61 30.780 21.494 -31.383 465 H SER 62 H SER 62 31.828 18.925 -30.974 466 HA SER 62 HA SER 62 34.001 18.399 -32.862 467 HB2 SER 62 HB2 SER 62 33.577 16.034 -32.278 468 HB3 SER 62 HB3 SER 62 33.870 17.067 -30.870 469 HG SER 62 HG SER 62 32.077 15.662 -30.540 470 H LYS 63 H LYS 63 33.831 16.950 -34.675 471 HA LYS 63 HA LYS 63 31.614 17.543 -36.451 472 HB2 LYS 63 HB2 LYS 63 33.963 17.303 -37.223 473 HB3 LYS 63 HB3 LYS 63 33.968 15.623 -36.712 474 HG2 LYS 63 HG2 LYS 63 33.708 15.734 -39.105 475 HG3 LYS 63 HG3 LYS 63 32.260 15.056 -38.389 476 HD2 LYS 63 HD2 LYS 63 31.680 16.536 -40.208 477 HD3 LYS 63 HD3 LYS 63 31.077 17.225 -38.704 478 HE2 LYS 63 HE2 LYS 63 33.019 18.780 -38.624 479 HE3 LYS 63 HE3 LYS 63 33.687 18.034 -40.081 480 HZ1 LYS 63 HZ1 LYS 63 32.473 20.077 -40.610 481 HZ2 LYS 63 HZ2 LYS 63 31.723 18.809 -41.309 482 HZ3 LYS 63 HZ3 LYS 63 31.093 19.498 -39.967 483 H LEU 64 H LEU 64 29.854 16.375 -36.923 484 HA LEU 64 HA LEU 64 29.567 13.544 -36.051 485 HB2 LEU 64 HB2 LEU 64 27.587 15.818 -35.608 486 HB3 LEU 64 HB3 LEU 64 27.186 14.118 -35.409 487 HG LEU 64 HG LEU 64 29.288 15.586 -33.754 488 HD11 LEU 64 HD11 LEU 64 27.015 16.424 -33.327 489 HD12 LEU 64 HD12 LEU 64 26.437 14.764 -33.069 490 HD13 LEU 64 HD13 LEU 64 27.616 15.486 -31.951 491 HD21 LEU 64 HD21 LEU 64 29.719 13.153 -33.855 492 HD22 LEU 64 HD22 LEU 64 29.108 13.606 -32.267 493 HD23 LEU 64 HD23 LEU 64 28.025 12.820 -33.434 494 H GLY 65 H GLY 65 28.021 12.324 -37.229 495 HA2 GLY 65 HA2 GLY 65 26.385 13.176 -39.347 496 HA3 GLY 65 HA3 GLY 65 27.954 12.803 -40.062 497 H GLY 66 H GLY 66 25.995 11.345 -41.012 498 HA2 GLY 66 HA2 GLY 66 26.721 8.648 -40.574 499 HA3 GLY 66 HA3 GLY 66 25.241 8.942 -39.659 500 H SER 67 H SER 67 25.157 7.063 -41.556 501 HA SER 67 HA SER 67 24.344 7.949 -44.174 502 HB2 SER 67 HB2 SER 67 23.853 5.296 -42.774 503 HB3 SER 67 HB3 SER 67 23.660 5.614 -44.507 504 HG SER 67 HG SER 67 25.717 4.675 -44.005 505 H GLY 68 H GLY 68 22.291 7.819 -45.176 506 HA2 GLY 68 HA2 GLY 68 19.999 8.716 -43.652 507 HA3 GLY 68 HA3 GLY 68 20.029 8.282 -45.356 508 H GLY 69 H GLY 69 17.861 7.678 -43.747 509 HA2 GLY 69 HA2 GLY 69 17.368 4.920 -44.223 510 HA3 GLY 69 HA3 GLY 69 17.835 5.106 -42.531 511 H SER 70 H SER 70 15.635 4.192 -42.279 512 HA SER 70 HA SER 70 13.293 5.879 -42.742 513 HB2 SER 70 HB2 SER 70 12.068 4.057 -41.725 514 HB3 SER 70 HB3 SER 70 13.243 3.402 -42.869 515 HG SER 70 HG SER 70 13.305 2.231 -40.914 516 H ARG 71 H ARG 71 11.730 6.112 -40.784 517 HA ARG 71 HA ARG 71 12.885 7.964 -38.898 518 HB2 ARG 71 HB2 ARG 71 10.141 6.628 -39.020 519 HB3 ARG 71 HB3 ARG 71 10.590 7.885 -37.862 520 HG2 ARG 71 HG2 ARG 71 11.058 9.466 -39.705 521 HG3 ARG 71 HG3 ARG 71 10.609 8.233 -40.888 522 HD2 ARG 71 HD2 ARG 71 8.758 9.768 -40.560 523 HD3 ARG 71 HD3 ARG 71 8.308 8.168 -39.990 524 HE ARG 71 HE ARG 71 8.999 10.555 -38.300 525 HH11 ARG 71 HH11 ARG 71 7.369 7.415 -38.405 526 HH12 ARG 71 HH12 ARG 71 6.969 7.540 -36.689 527 HH21 ARG 71 HH21 ARG 71 8.301 10.574 -36.151 528 HH22 ARG 71 HH22 ARG 71 7.441 9.162 -35.547 529 H LYS 72 H LYS 72 12.661 4.551 -38.701 530 HA LYS 72 HA LYS 72 12.620 2.998 -37.048 531 HB2 LYS 72 HB2 LYS 72 14.619 2.976 -35.638 532 HB3 LYS 72 HB3 LYS 72 14.890 3.265 -37.337 533 HG2 LYS 72 HG2 LYS 72 16.435 4.570 -36.183 534 HG3 LYS 72 HG3 LYS 72 15.277 5.691 -36.875 535 HD2 LYS 72 HD2 LYS 72 14.186 5.916 -34.638 536 HD3 LYS 72 HD3 LYS 72 15.345 4.780 -33.950 537 HE2 LYS 72 HE2 LYS 72 16.064 7.441 -35.276 538 HE3 LYS 72 HE3 LYS 72 15.801 7.236 -33.545 539 HZ1 LYS 72 HZ1 LYS 72 18.155 7.105 -34.044 540 HZ2 LYS 72 HZ2 LYS 72 17.666 5.648 -33.504 541 HZ3 LYS 72 HZ3 LYS 72 17.952 5.880 -35.100 542 H ASP 73 H ASP 73 10.584 4.692 -36.616 543 HA ASP 73 HA ASP 73 10.475 5.551 -33.837 544 HB2 ASP 73 HB2 ASP 73 9.634 6.767 -35.879 545 HB3 ASP 73 HB3 ASP 73 8.345 5.572 -35.995 546 H LEU 74 H LEU 74 9.655 2.632 -35.384 547 HA LEU 74 HA LEU 74 8.616 0.718 -34.820 548 HB2 LEU 74 HB2 LEU 74 8.748 1.655 -31.943 549 HB3 LEU 74 HB3 LEU 74 8.623 0.000 -32.517 550 HG LEU 74 HG LEU 74 11.039 1.827 -32.874 551 HD11 LEU 74 HD11 LEU 74 12.121 0.286 -31.312 552 HD12 LEU 74 HD12 LEU 74 10.689 1.018 -30.572 553 HD13 LEU 74 HD13 LEU 74 10.620 -0.656 -31.165 554 HD21 LEU 74 HD21 LEU 74 12.193 -0.213 -33.688 555 HD22 LEU 74 HD22 LEU 74 10.650 -1.100 -33.659 556 HD23 LEU 74 HD23 LEU 74 10.889 0.260 -34.779 557 H SER 75 H SER 75 6.729 -0.268 -33.317 558 HA SER 75 HA SER 75 4.334 0.673 -34.500 559 HB2 SER 75 HB2 SER 75 4.668 -1.197 -32.124 560 HB3 SER 75 HB3 SER 75 3.223 -1.041 -33.143 561 HG SER 75 HG SER 75 4.562 -2.811 -33.797 562 H VAL 76 H VAL 76 2.490 1.654 -33.701 563 HA VAL 76 HA VAL 76 2.920 3.670 -31.671 564 HB VAL 76 HB VAL 76 1.692 3.986 -33.804 565 HG11 VAL 76 HG11 VAL 76 0.274 1.937 -33.788 566 HG12 VAL 76 HG12 VAL 76 -0.651 2.604 -32.421 567 HG13 VAL 76 HG13 VAL 76 -0.667 3.418 -33.994 568 HG21 VAL 76 HG21 VAL 76 0.064 4.790 -31.371 569 HG22 VAL 76 HG22 VAL 76 1.531 5.615 -31.952 570 HG23 VAL 76 HG23 VAL 76 0.080 5.560 -32.967 571 H LYS 77 H LYS 77 1.451 0.517 -31.538 572 HA LYS 77 HA LYS 77 -0.256 0.995 -29.233 573 HB2 LYS 77 HB2 LYS 77 0.731 -1.593 -30.509 574 HB3 LYS 77 HB3 LYS 77 -0.449 -1.497 -29.197 575 HG2 LYS 77 HG2 LYS 77 -1.972 -0.158 -30.628 576 HG3 LYS 77 HG3 LYS 77 -0.798 -0.214 -31.944 577 HD2 LYS 77 HD2 LYS 77 -2.499 -1.831 -32.396 578 HD3 LYS 77 HD3 LYS 77 -0.996 -2.692 -32.029 579 HE2 LYS 77 HE2 LYS 77 -1.815 -3.134 -29.720 580 HE3 LYS 77 HE3 LYS 77 -3.287 -2.212 -30.056 581 HZ1 LYS 77 HZ1 LYS 77 -3.654 -4.604 -30.327 582 HZ2 LYS 77 HZ2 LYS 77 -3.850 -3.866 -31.767 583 HZ3 LYS 77 HZ3 LYS 77 -2.488 -4.717 -31.460 584 H GLY 78 H GLY 78 -0.049 0.258 -27.127 585 HA2 GLY 78 HA2 GLY 78 2.157 -1.020 -25.906 586 HA3 GLY 78 HA3 GLY 78 2.468 0.718 -25.861 587 H MET 79 H MET 79 2.420 0.289 -23.510 588 HA MET 79 HA MET 79 -0.280 0.795 -22.399 589 HB2 MET 79 HB2 MET 79 0.181 -1.643 -22.170 590 HB3 MET 79 HB3 MET 79 1.654 -1.273 -21.277 591 HG2 MET 79 HG2 MET 79 -0.224 -1.909 -19.805 592 HG3 MET 79 HG3 MET 79 0.404 -0.314 -19.452 593 HE1 MET 79 HE1 MET 79 -2.171 -1.354 -22.379 594 HE2 MET 79 HE2 MET 79 -2.540 -2.404 -20.987 595 HE3 MET 79 HE3 MET 79 -3.694 -1.154 -21.491 596 H LEU 80 H LEU 80 -0.321 2.070 -20.548 597 HA LEU 80 HA LEU 80 2.007 3.844 -20.250 598 HB2 LEU 80 HB2 LEU 80 -0.893 3.962 -19.372 599 HB3 LEU 80 HB3 LEU 80 0.309 5.052 -18.705 600 HG LEU 80 HG LEU 80 0.857 5.913 -20.951 601 HD11 LEU 80 HD11 LEU 80 -1.484 4.193 -21.888 602 HD12 LEU 80 HD12 LEU 80 -0.761 5.520 -22.822 603 HD13 LEU 80 HD13 LEU 80 0.208 4.097 -22.445 604 HD21 LEU 80 HD21 LEU 80 -2.098 6.045 -20.216 605 HD22 LEU 80 HD22 LEU 80 -0.799 7.030 -19.503 606 HD23 LEU 80 HD23 LEU 80 -1.214 7.222 -21.212 607 H TYR 81 H TYR 81 2.998 4.416 -18.324 608 HA TYR 81 HA TYR 81 2.436 3.014 -15.820 609 HB2 TYR 81 HB2 TYR 81 4.004 1.520 -17.135 610 HB3 TYR 81 HB3 TYR 81 5.191 2.813 -17.102 611 HD1 TYR 81 HD1 TYR 81 3.028 0.710 -14.846 612 HD2 TYR 81 HD2 TYR 81 6.730 2.883 -15.286 613 HE1 TYR 81 HE1 TYR 81 3.785 -0.119 -12.617 614 HE2 TYR 81 HE2 TYR 81 7.483 2.055 -13.068 615 HH TYR 81 HH TYR 81 6.970 0.775 -11.222 616 H ASP 82 H ASP 82 3.888 3.918 -14.032 617 HA ASP 82 HA ASP 82 3.755 6.793 -14.074 618 HB2 ASP 82 HB2 ASP 82 3.386 5.374 -12.065 619 HB3 ASP 82 HB3 ASP 82 5.104 4.957 -12.062 620 H SER 83 H SER 83 5.375 8.364 -14.049 621 HA SER 83 HA SER 83 7.709 7.692 -15.679 622 HB2 SER 83 HB2 SER 83 6.717 10.356 -14.603 623 HB3 SER 83 HB3 SER 83 8.071 10.146 -15.721 624 HG SER 83 HG SER 83 5.353 9.396 -16.220 625 H ASP 84 H ASP 84 7.322 7.686 -12.348 626 HA ASP 84 HA ASP 84 8.451 7.930 -10.521 627 HB2 ASP 84 HB2 ASP 84 10.500 6.864 -10.270 628 HB3 ASP 84 HB3 ASP 84 9.548 6.007 -11.473 629 H SER 85 H SER 85 9.794 10.031 -12.946 630 HA SER 85 HA SER 85 11.459 11.737 -11.533 631 HB2 SER 85 HB2 SER 85 10.530 13.509 -13.088 632 HB3 SER 85 HB3 SER 85 11.058 12.017 -13.884 633 HG SER 85 HG SER 85 8.964 12.768 -14.611 634 H GLN 86 H GLN 86 7.866 11.807 -11.523 635 HA GLN 86 HA GLN 86 7.684 14.075 -9.735 636 HB2 GLN 86 HB2 GLN 86 5.676 11.892 -10.434 637 HB3 GLN 86 HB3 GLN 86 5.291 13.349 -9.521 638 HG2 GLN 86 HG2 GLN 86 6.332 13.321 -12.394 639 HG3 GLN 86 HG3 GLN 86 4.648 13.477 -11.921 640 HE21 GLN 86 HE22 GLN 86 5.632 15.438 -13.536 641 HE22 GLN 86 HE21 GLN 86 5.850 16.912 -12.606 642 H GLN 87 H GLN 87 7.856 10.549 -9.111 643 HA GLN 87 HA GLN 87 7.282 10.786 -6.274 644 HB2 GLN 87 HB2 GLN 87 8.729 8.589 -7.820 645 HB3 GLN 87 HB3 GLN 87 8.218 8.507 -6.139 646 HG2 GLN 87 HG2 GLN 87 5.828 8.849 -6.881 647 HG3 GLN 87 HG3 GLN 87 6.379 8.772 -8.559 648 HE21 GLN 87 HE22 GLN 87 6.275 6.705 -9.499 649 HE22 GLN 87 HE21 GLN 87 6.339 5.222 -8.548 650 H ILE 88 H ILE 88 10.348 10.616 -8.171 651 HA ILE 88 HA ILE 88 12.104 10.974 -5.916 652 HB ILE 88 HB ILE 88 12.393 11.395 -8.907 653 HG12 ILE 88 HG12 ILE 88 14.284 9.785 -8.571 654 HG13 ILE 88 HG13 ILE 88 13.887 9.695 -6.858 655 HG21 ILE 88 HG21 ILE 88 13.719 13.252 -8.014 656 HG22 ILE 88 HG22 ILE 88 14.448 12.192 -6.786 657 HG23 ILE 88 HG23 ILE 88 14.822 11.969 -8.504 658 HD11 ILE 88 HD11 ILE 88 12.184 8.742 -9.201 659 HD12 ILE 88 HD12 ILE 88 13.089 7.735 -8.070 660 HD13 ILE 88 HD13 ILE 88 11.686 8.639 -7.491 661 H LEU 89 H LEU 89 10.679 13.445 -8.147 662 HA LEU 89 HA LEU 89 11.755 15.649 -6.751 663 HB2 LEU 89 HB2 LEU 89 10.730 15.739 -9.005 664 HB3 LEU 89 HB3 LEU 89 9.146 15.427 -8.321 665 HG LEU 89 HG LEU 89 9.113 17.584 -7.194 666 HD11 LEU 89 HD11 LEU 89 10.939 19.265 -7.607 667 HD12 LEU 89 HD12 LEU 89 11.435 17.941 -6.558 668 HD13 LEU 89 HD13 LEU 89 11.941 17.956 -8.261 669 HD21 LEU 89 HD21 LEU 89 8.435 17.467 -9.574 670 HD22 LEU 89 HD22 LEU 89 9.127 19.048 -9.174 671 HD23 LEU 89 HD23 LEU 89 10.099 17.863 -10.066 672 H ASN 90 H ASN 90 8.573 14.014 -6.109 673 HA ASN 90 HA ASN 90 7.815 15.732 -3.980 674 HB2 ASN 90 HB2 ASN 90 6.219 14.183 -4.935 675 HB3 ASN 90 HB3 ASN 90 7.229 12.790 -4.517 676 HD21 ASN 90 HD22 ASN 90 5.404 15.525 -2.985 677 HD22 ASN 90 HD21 ASN 90 5.284 14.710 -1.426 678 H ARG 91 H ARG 91 9.752 12.645 -3.767 679 HA ARG 91 HA ARG 91 10.050 12.947 -0.902 680 HB2 ARG 91 HB2 ARG 91 10.126 10.788 -2.157 681 HB3 ARG 91 HB3 ARG 91 11.638 11.277 -2.894 682 HG2 ARG 91 HG2 ARG 91 11.873 9.649 -1.020 683 HG3 ARG 91 HG3 ARG 91 12.822 11.113 -0.791 684 HD2 ARG 91 HD2 ARG 91 11.632 10.190 1.269 685 HD3 ARG 91 HD3 ARG 91 11.424 11.909 0.927 686 HE ARG 91 HE ARG 91 9.354 9.932 0.004 687 HH11 ARG 91 HH12 ARG 91 10.006 12.695 2.187 688 HH12 ARG 91 HH11 ARG 91 8.301 13.149 2.043 689 HH21 ARG 91 HH22 ARG 91 7.237 10.653 0.155 690 HH22 ARG 91 HH21 ARG 91 6.926 12.146 1.053 691 H LEU 92 H LEU 92 12.057 14.014 -3.628 692 HA LEU 92 HA LEU 92 14.244 14.997 -2.044 693 HB2 LEU 92 HB2 LEU 92 14.353 14.542 -4.459 694 HB3 LEU 92 HB3 LEU 92 13.116 15.753 -4.770 695 HG LEU 92 HG LEU 92 14.667 17.545 -4.048 696 HD11 LEU 92 HD11 LEU 92 16.684 15.274 -3.838 697 HD12 LEU 92 HD12 LEU 92 17.085 17.004 -3.816 698 HD13 LEU 92 HD13 LEU 92 16.135 16.315 -2.496 699 HD21 LEU 92 HD21 LEU 92 16.182 17.300 -6.025 700 HD22 LEU 92 HD22 LEU 92 15.648 15.622 -6.193 701 HD23 LEU 92 HD23 LEU 92 14.477 16.952 -6.384 702 H ARG 93 H ARG 93 11.223 16.639 -3.209 703 HA ARG 93 HA ARG 93 11.983 19.187 -2.046 704 HB2 ARG 93 HB2 ARG 93 10.449 18.899 -3.981 705 HB3 ARG 93 HB3 ARG 93 9.230 18.189 -2.899 706 HG2 ARG 93 HG2 ARG 93 9.272 20.362 -1.574 707 HG3 ARG 93 HG3 ARG 93 10.377 21.019 -2.777 708 HD2 ARG 93 HD2 ARG 93 7.523 20.047 -3.236 709 HD3 ARG 93 HD3 ARG 93 8.013 21.725 -3.116 710 HE ARG 93 HE ARG 93 8.193 19.981 -5.429 711 HH11 ARG 93 HH21 ARG 93 9.663 22.914 -4.113 712 HH12 ARG 93 HH22 ARG 93 10.117 23.468 -5.720 713 HH21 ARG 93 HH11 ARG 93 8.704 20.901 -7.410 714 HH22 ARG 93 HH12 ARG 93 9.621 22.389 -7.462 715 H GLU 94 H GLU 94 9.960 16.467 -0.815 716 HA GLU 94 HA GLU 94 9.382 17.845 1.672 717 HB2 GLU 94 HB2 GLU 94 9.356 14.931 0.848 718 HB3 GLU 94 HB3 GLU 94 8.858 15.492 2.464 719 HG2 GLU 94 HG2 GLU 94 7.164 16.974 1.416 720 HG3 GLU 94 HG3 GLU 94 7.633 16.394 -0.184 721 H ARG 95 H ARG 95 12.078 15.579 0.794 722 HA ARG 95 HA ARG 95 13.394 15.656 3.348 723 HB2 ARG 95 HB2 ARG 95 13.925 14.030 1.594 724 HB3 ARG 95 HB3 ARG 95 14.482 15.306 0.514 725 HG2 ARG 95 HG2 ARG 95 16.386 15.798 1.942 726 HG3 ARG 95 HG3 ARG 95 15.806 14.682 3.197 727 HD2 ARG 95 HD2 ARG 95 16.175 12.779 1.790 728 HD3 ARG 95 HD3 ARG 95 16.498 13.790 0.369 729 HE ARG 95 HE ARG 95 18.460 14.646 2.064 730 HH11 ARG 95 HH12 ARG 95 17.691 11.217 1.360 731 HH12 ARG 95 HH11 ARG 95 19.434 10.907 1.328 732 HH21 ARG 95 HH21 ARG 95 20.457 13.992 2.089 733 HH22 ARG 95 HH22 ARG 95 20.856 12.270 1.775 734 H VAL 96 H VAL 96 13.682 17.917 0.580 735 HA VAL 96 HA VAL 96 15.681 19.541 1.964 736 HB VAL 96 HB VAL 96 14.122 19.882 -0.621 737 HG11 VAL 96 HG11 VAL 96 16.189 21.758 0.622 738 HG12 VAL 96 HG12 VAL 96 15.751 21.766 -1.100 739 HG13 VAL 96 HG13 VAL 96 14.536 22.168 0.112 740 HG21 VAL 96 HG21 VAL 96 15.933 18.168 -0.524 741 HG22 VAL 96 HG22 VAL 96 16.381 19.525 -1.551 742 HG23 VAL 96 HG23 VAL 96 17.064 19.411 0.077 743 H SER 97 H SER 97 12.183 19.963 1.326 744 HA SER 97 HA SER 97 12.181 22.602 2.422 745 HB2 SER 97 HB2 SER 97 10.682 21.792 0.617 746 HB3 SER 97 HB3 SER 97 9.791 20.836 1.819 747 HG SER 97 HG SER 97 8.853 22.931 1.416 748 H GLY 98 H GLY 98 11.302 19.374 3.741 749 HA2 GLY 98 HA2 GLY 98 10.962 20.509 6.469 750 HA3 GLY 98 HA3 GLY 98 9.605 19.662 5.720 751 H SER 99 H SER 99 12.965 18.620 5.250 752 HA SER 99 HA SER 99 14.057 16.693 5.724 753 HB2 SER 99 HB2 SER 99 12.923 17.178 8.486 754 HB3 SER 99 HB3 SER 99 14.370 16.235 8.086 755 HG SER 99 HG SER 99 14.896 18.397 8.713 756 H THR 100 H THR 100 11.197 16.158 4.841 757 HA THR 100 HA THR 100 9.635 14.498 4.773 758 HB THR 100 HB THR 100 12.101 12.802 5.182 759 HG1 THR 100 HG1 THR 100 12.174 13.787 3.270 760 HG21 THR 100 HG21 THR 100 10.774 11.056 3.887 761 HG22 THR 100 HG22 THR 100 10.465 11.159 5.612 762 HG23 THR 100 HG23 THR 100 9.304 11.880 4.474 763 H ALA 101 H ALA 101 9.978 15.905 7.330 764 HA ALA 101 HA ALA 101 9.415 14.033 9.466 765 HB1 ALA 101 HB1 ALA 101 9.070 17.055 9.329 766 HB2 ALA 101 HB2 ALA 101 9.083 16.062 10.797 767 HB3 ALA 101 HB3 ALA 101 10.552 16.201 9.816 768 H GLN 102 H GLN 102 7.473 13.941 10.727 769 HA GLN 102 HA GLN 102 5.128 13.559 9.120 770 HB2 GLN 102 HB2 GLN 102 4.143 12.625 11.046 771 HB3 GLN 102 HB3 GLN 102 5.807 12.089 11.004 772 HG2 GLN 102 HG2 GLN 102 4.764 14.357 12.779 773 HG3 GLN 102 HG3 GLN 102 4.859 12.679 13.270 774 HE21 GLN 102 HE22 GLN 102 6.123 14.391 14.911 775 HE22 GLN 102 HE21 GLN 102 7.864 14.271 14.688 776 H SER 103 H SER 103 6.209 16.368 10.738 777 HA SER 103 HA SER 103 3.747 17.805 10.053 778 HB2 SER 103 HB2 SER 103 3.423 16.974 12.437 779 HB3 SER 103 HB3 SER 103 4.838 17.938 12.892 780 HG SER 103 HG SER 103 2.277 18.791 11.997 781 H ALA 104 H ALA 104 4.075 20.091 9.937 782 HA ALA 104 HA ALA 104 6.778 21.215 10.280 783 HB1 ALA 104 HB1 ALA 104 5.351 21.170 7.581 784 HB2 ALA 104 HB2 ALA 104 6.844 22.050 7.957 785 HB3 ALA 104 HB3 ALA 104 6.834 20.280 7.998 Start of MODEL 2 1 H1 SER 1 H1 SER 1 8.512 -17.936 0.066 2 H2 SER 1 H2 SER 1 7.099 -17.179 -0.287 3 H3 SER 1 H3 SER 1 7.609 -18.436 -1.205 4 HA SER 1 HA SER 1 9.526 -17.206 -1.962 5 HB2 SER 1 HB2 SER 1 6.905 -15.749 -2.492 6 HB3 SER 1 HB3 SER 1 8.370 -15.701 -3.496 7 HG SER 1 HG SER 1 6.834 -17.253 -4.260 8 H VAL 2 H VAL 2 10.703 -15.217 -2.101 9 HA VAL 2 HA VAL 2 10.584 -13.666 0.417 10 HB VAL 2 HB VAL 2 12.785 -12.831 -0.185 11 HG11 VAL 2 HG11 VAL 2 12.548 -14.958 1.050 12 HG12 VAL 2 HG12 VAL 2 12.611 -15.856 -0.484 13 HG13 VAL 2 HG13 VAL 2 14.013 -14.908 0.054 14 HG21 VAL 2 HG21 VAL 2 12.595 -12.816 -2.669 15 HG22 VAL 2 HG22 VAL 2 14.032 -13.671 -2.098 16 HG23 VAL 2 HG23 VAL 2 12.636 -14.596 -2.673 17 H SER 3 H SER 3 9.467 -13.120 -2.767 18 HA SER 3 HA SER 3 9.969 -10.343 -3.056 19 HB2 SER 3 HB2 SER 3 7.675 -11.970 -4.217 20 HB3 SER 3 HB3 SER 3 8.275 -10.410 -4.811 21 HG SER 3 HG SER 3 9.165 -12.169 -5.999 22 H ILE 4 H ILE 4 8.652 -8.518 -2.862 23 HA ILE 4 HA ILE 4 6.871 -8.453 -0.548 24 HB ILE 4 HB ILE 4 7.908 -6.350 -2.470 25 HG12 ILE 4 HG12 ILE 4 8.841 -5.351 -0.394 26 HG13 ILE 4 HG13 ILE 4 8.196 -6.683 0.558 27 HG21 ILE 4 HG21 ILE 4 5.875 -5.920 -0.234 28 HG22 ILE 4 HG22 ILE 4 6.769 -4.633 -1.066 29 HG23 ILE 4 HG23 ILE 4 5.640 -5.620 -1.981 30 HD11 ILE 4 HD11 ILE 4 10.653 -6.792 0.093 31 HD12 ILE 4 HD12 ILE 4 9.780 -8.231 -0.436 32 HD13 ILE 4 HD13 ILE 4 10.290 -7.002 -1.630 33 H LEU 5 H LEU 5 4.680 -8.372 -0.509 34 HA LEU 5 HA LEU 5 3.287 -9.432 -2.779 35 HB2 LEU 5 HB2 LEU 5 2.859 -10.010 -0.406 36 HB3 LEU 5 HB3 LEU 5 2.267 -8.373 -0.111 37 HG LEU 5 HG LEU 5 0.370 -8.767 -1.661 38 HD11 LEU 5 HD11 LEU 5 -0.129 -11.085 -2.409 39 HD12 LEU 5 HD12 LEU 5 1.321 -10.447 -3.189 40 HD13 LEU 5 HD13 LEU 5 1.477 -11.605 -1.844 41 HD21 LEU 5 HD21 LEU 5 0.143 -9.237 0.743 42 HD22 LEU 5 HD22 LEU 5 -0.840 -10.345 -0.225 43 HD23 LEU 5 HD23 LEU 5 0.693 -10.907 0.481 44 H ARG 6 H ARG 6 3.450 -6.155 -1.449 45 HA ARG 6 HA ARG 6 1.236 -5.111 -3.065 46 HB2 ARG 6 HB2 ARG 6 3.331 -3.699 -1.350 47 HB3 ARG 6 HB3 ARG 6 1.963 -2.904 -2.139 48 HG2 ARG 6 HG2 ARG 6 0.380 -4.333 -0.846 49 HG3 ARG 6 HG3 ARG 6 1.754 -5.077 -0.007 50 HD2 ARG 6 HD2 ARG 6 2.435 -2.859 0.856 51 HD3 ARG 6 HD3 ARG 6 1.059 -2.105 0.054 52 HE ARG 6 HE ARG 6 1.064 -3.750 2.496 53 HH11 ARG 6 HH21 ARG 6 -1.051 -2.355 0.059 54 HH12 ARG 6 HH22 ARG 6 -2.456 -2.500 1.077 55 HH21 ARG 6 HH11 ARG 6 -0.764 -3.897 3.729 56 HH22 ARG 6 HH12 ARG 6 -2.291 -3.340 3.106 57 H SER 7 H SER 7 1.309 -3.682 -4.764 58 HA SER 7 HA SER 7 3.581 -3.995 -6.587 59 HB2 SER 7 HB2 SER 7 0.959 -2.510 -6.971 60 HB3 SER 7 HB3 SER 7 2.124 -2.955 -8.233 61 HG SER 7 HG SER 7 0.386 -4.465 -8.095 62 H SER 8 H SER 8 2.841 -1.618 -4.248 63 HA SER 8 HA SER 8 3.787 0.720 -5.686 64 HB2 SER 8 HB2 SER 8 3.572 1.806 -3.444 65 HB3 SER 8 HB3 SER 8 2.098 1.030 -4.039 66 HG SER 8 HG SER 8 2.532 0.545 -1.812 67 H VAL 9 H VAL 9 5.570 2.045 -5.061 68 HA VAL 9 HA VAL 9 8.030 0.518 -4.431 69 HB VAL 9 HB VAL 9 7.687 3.395 -5.353 70 HG11 VAL 9 HG11 VAL 9 9.837 3.105 -4.179 71 HG12 VAL 9 HG12 VAL 9 10.197 1.663 -5.161 72 HG13 VAL 9 HG13 VAL 9 10.101 3.269 -5.913 73 HG21 VAL 9 HG21 VAL 9 8.544 2.531 -7.535 74 HG22 VAL 9 HG22 VAL 9 8.466 0.877 -6.893 75 HG23 VAL 9 HG23 VAL 9 6.980 1.826 -7.113 76 H ASN 10 H ASN 10 9.272 0.807 -2.613 77 HA ASN 10 HA ASN 10 8.091 2.037 -0.266 78 HB2 ASN 10 HB2 ASN 10 9.455 -0.006 -0.194 79 HB3 ASN 10 HB3 ASN 10 10.860 0.866 -0.809 80 HD21 ASN 10 HD22 ASN 10 11.300 -0.493 1.446 81 HD22 ASN 10 HD21 ASN 10 11.335 0.592 2.829 82 H HIS 11 H HIS 11 8.156 4.161 0.293 83 HA HIS 11 HA HIS 11 9.573 6.113 -1.253 84 HB2 HIS 11 HB2 HIS 11 8.685 7.717 0.329 85 HB3 HIS 11 HB3 HIS 11 7.459 6.561 -0.154 86 HD2 HIS 11 HD2 HIS 11 6.220 5.241 1.740 87 HE1 HIS 11 HE1 HIS 11 8.648 6.380 5.060 88 HE2 HIS 11 HE2 HIS 11 6.529 5.153 4.357 89 H ARG 12 H ARG 12 10.602 4.360 1.652 90 HA ARG 12 HA ARG 12 12.900 6.056 2.166 91 HB2 ARG 12 HB2 ARG 12 11.749 4.300 3.678 92 HB3 ARG 12 HB3 ARG 12 12.713 3.084 2.845 93 HG2 ARG 12 HG2 ARG 12 13.909 5.568 4.158 94 HG3 ARG 12 HG3 ARG 12 13.556 4.118 5.083 95 HD2 ARG 12 HD2 ARG 12 15.232 2.852 4.109 96 HD3 ARG 12 HD3 ARG 12 15.354 3.827 2.666 97 HE ARG 12 HE ARG 12 16.639 4.302 5.245 98 HH11 ARG 12 HH21 ARG 12 15.890 5.826 2.156 99 HH12 ARG 12 HH22 ARG 12 16.731 7.307 2.601 100 HH21 ARG 12 HH11 ARG 12 17.905 6.117 5.592 101 HH22 ARG 12 HH12 ARG 12 17.983 7.365 4.381 102 H GLU 13 H GLU 13 12.326 3.359 -0.070 103 HA GLU 13 HA GLU 13 15.096 3.168 -0.939 104 HB2 GLU 13 HB2 GLU 13 13.406 1.333 -1.093 105 HB3 GLU 13 HB3 GLU 13 12.583 2.237 -2.375 106 HG2 GLU 13 HG2 GLU 13 14.589 2.129 -3.784 107 HG3 GLU 13 HG3 GLU 13 15.487 1.334 -2.488 108 H VAL 14 H VAL 14 12.223 5.022 -2.061 109 HA VAL 14 HA VAL 14 13.533 6.311 -4.284 110 HB VAL 14 HB VAL 14 11.376 7.479 -2.485 111 HG11 VAL 14 HG11 VAL 14 12.055 8.112 -5.388 112 HG12 VAL 14 HG12 VAL 14 10.768 8.851 -4.399 113 HG13 VAL 14 HG13 VAL 14 12.462 9.147 -4.006 114 HG21 VAL 14 HG21 VAL 14 11.060 5.874 -5.063 115 HG22 VAL 14 HG22 VAL 14 10.653 5.290 -3.443 116 HG23 VAL 14 HG23 VAL 14 9.755 6.640 -4.120 117 H ASP 15 H ASP 15 13.449 7.122 -0.765 118 HA ASP 15 HA ASP 15 15.105 9.505 -1.074 119 HB2 ASP 15 HB2 ASP 15 13.712 9.164 0.899 120 HB3 ASP 15 HB3 ASP 15 14.625 7.727 1.339 121 H GLU 16 H GLU 16 15.911 6.021 -0.558 122 HA GLU 16 HA GLU 16 18.756 6.430 -0.332 123 HB2 GLU 16 HB2 GLU 16 17.731 4.343 0.350 124 HB3 GLU 16 HB3 GLU 16 17.137 4.036 -1.285 125 HG2 GLU 16 HG2 GLU 16 19.405 3.821 -2.151 126 HG3 GLU 16 HG3 GLU 16 20.082 4.294 -0.588 127 H ALA 17 H ALA 17 16.650 5.911 -3.228 128 HA ALA 17 HA ALA 17 18.780 5.922 -5.099 129 HB1 ALA 17 HB1 ALA 17 16.488 5.155 -5.610 130 HB2 ALA 17 HB2 ALA 17 15.873 6.811 -5.432 131 HB3 ALA 17 HB3 ALA 17 16.998 6.415 -6.752 132 H ILE 18 H ILE 18 16.813 8.626 -3.749 133 HA ILE 18 HA ILE 18 18.162 10.786 -5.067 134 HB ILE 18 HB ILE 18 16.658 10.493 -2.461 135 HG12 ILE 18 HG12 ILE 18 16.049 12.274 -4.833 136 HG13 ILE 18 HG13 ILE 18 15.634 10.556 -4.847 137 HG21 ILE 18 HG21 ILE 18 17.984 13.067 -3.418 138 HG22 ILE 18 HG22 ILE 18 16.724 12.979 -2.169 139 HG23 ILE 18 HG23 ILE 18 18.283 12.217 -1.889 140 HD11 ILE 18 HD11 ILE 18 13.714 11.872 -4.153 141 HD12 ILE 18 HD12 ILE 18 14.255 10.811 -2.849 142 HD13 ILE 18 HD13 ILE 18 14.618 12.548 -2.787 143 H ASP 19 H ASP 19 19.016 9.124 -1.964 144 HA ASP 19 HA ASP 19 21.307 10.743 -1.486 145 HB2 ASP 19 HB2 ASP 19 19.927 8.930 -0.029 146 HB3 ASP 19 HB3 ASP 19 21.265 7.899 -0.513 147 H ASN 20 H ASN 20 20.987 7.680 -3.322 148 HA ASN 20 HA ASN 20 23.762 7.348 -3.921 149 HB2 ASN 20 HB2 ASN 20 21.945 5.620 -4.121 150 HB3 ASN 20 HB3 ASN 20 21.312 6.482 -5.523 151 HD21 ASN 20 HD22 ASN 20 21.675 4.270 -6.513 152 HD22 ASN 20 HD21 ASN 20 23.281 3.952 -7.151 153 H ILE 21 H ILE 21 21.148 9.077 -5.727 154 HA ILE 21 HA ILE 21 22.814 10.044 -7.873 155 HB ILE 21 HB ILE 21 20.167 10.915 -6.667 156 HG12 ILE 21 HG12 ILE 21 20.865 10.006 -9.494 157 HG13 ILE 21 HG13 ILE 21 20.474 8.866 -8.208 158 HG21 ILE 21 HG21 ILE 21 21.760 12.351 -8.831 159 HG22 ILE 21 HG22 ILE 21 20.009 12.565 -8.603 160 HG23 ILE 21 HG23 ILE 21 21.106 13.042 -7.326 161 HD11 ILE 21 HD11 ILE 21 18.606 11.007 -9.296 162 HD12 ILE 21 HD12 ILE 21 18.489 9.257 -9.517 163 HD13 ILE 21 HD13 ILE 21 18.251 9.955 -7.903 164 H LEU 22 H LEU 22 21.985 11.450 -4.690 165 HA LEU 22 HA LEU 22 23.328 13.914 -4.966 166 HB2 LEU 22 HB2 LEU 22 21.656 13.276 -3.250 167 HB3 LEU 22 HB3 LEU 22 22.794 12.130 -2.554 168 HG LEU 22 HG LEU 22 24.313 14.022 -1.968 169 HD11 LEU 22 HD11 LEU 22 23.507 15.713 -3.588 170 HD12 LEU 22 HD12 LEU 22 21.882 15.670 -2.852 171 HD13 LEU 22 HD13 LEU 22 23.275 16.274 -1.927 172 HD21 LEU 22 HD21 LEU 22 21.466 14.131 -0.879 173 HD22 LEU 22 HD22 LEU 22 22.757 13.033 -0.338 174 HD23 LEU 22 HD23 LEU 22 22.912 14.775 -0.075 175 H ARG 23 H ARG 23 24.591 10.775 -3.735 176 HA ARG 23 HA ARG 23 27.304 11.758 -3.311 177 HB2 ARG 23 HB2 ARG 23 26.079 8.990 -3.524 178 HB3 ARG 23 HB3 ARG 23 27.787 9.275 -3.144 179 HG2 ARG 23 HG2 ARG 23 27.210 10.474 -1.102 180 HG3 ARG 23 HG3 ARG 23 25.489 10.422 -1.500 181 HD2 ARG 23 HD2 ARG 23 25.716 7.858 -1.503 182 HD3 ARG 23 HD3 ARG 23 27.286 8.088 -0.734 183 HE ARG 23 HE ARG 23 24.577 8.775 0.359 184 HH11 ARG 23 HH21 ARG 23 28.010 8.635 1.167 185 HH12 ARG 23 HH22 ARG 23 27.661 8.860 2.860 186 HH21 ARG 23 HH11 ARG 23 24.235 9.042 2.316 187 HH22 ARG 23 HH12 ARG 23 25.508 9.079 3.545 188 H TYR 24 H TYR 24 25.765 9.960 -6.047 189 HA TYR 24 HA TYR 24 28.110 9.646 -7.627 190 HB2 TYR 24 HB2 TYR 24 26.057 8.451 -8.068 191 HB3 TYR 24 HB3 TYR 24 25.166 9.944 -8.303 192 HD1 TYR 24 HD1 TYR 24 28.184 8.167 -9.735 193 HD2 TYR 24 HD2 TYR 24 24.679 10.581 -10.491 194 HE1 TYR 24 HE1 TYR 24 28.606 8.026 -12.185 195 HE2 TYR 24 HE2 TYR 24 25.093 10.419 -12.934 196 HH TYR 24 HH TYR 24 26.453 9.568 -14.604 197 H THR 25 H THR 25 25.781 12.382 -7.501 198 HA THR 25 HA THR 25 27.325 13.987 -9.416 199 HB THR 25 HB THR 25 25.756 15.790 -8.860 200 HG1 THR 25 HG1 THR 25 24.373 13.951 -7.232 201 HG21 THR 25 HG21 THR 25 25.074 14.213 -10.603 202 HG22 THR 25 HG22 THR 25 24.360 13.130 -9.390 203 HG23 THR 25 HG23 THR 25 23.674 14.745 -9.660 204 H ASN 26 H ASN 26 27.838 13.264 -6.164 205 HA ASN 26 HA ASN 26 28.935 14.154 -4.448 206 HB2 ASN 26 HB2 ASN 26 30.745 13.749 -6.141 207 HB3 ASN 26 HB3 ASN 26 30.686 15.467 -6.551 208 HD21 ASN 26 HD22 ASN 26 33.044 15.254 -5.895 209 HD22 ASN 26 HD21 ASN 26 33.405 15.429 -4.183 210 H SER 27 H SER 27 26.646 15.422 -4.756 211 HA SER 27 HA SER 27 27.197 18.365 -4.504 212 HB2 SER 27 HB2 SER 27 25.953 17.411 -6.555 213 HB3 SER 27 HB3 SER 27 24.595 17.155 -5.444 214 HG SER 27 HG SER 27 25.869 19.586 -6.225 215 H THR 28 H THR 28 25.017 19.404 -3.632 216 HA THR 28 HA THR 28 24.252 18.117 -1.022 217 HB THR 28 HB THR 28 25.544 20.036 -0.479 218 HG1 THR 28 HG1 THR 28 23.943 20.094 0.920 219 HG21 THR 28 HG21 THR 28 24.914 22.324 -1.140 220 HG22 THR 28 HG22 THR 28 25.431 21.380 -2.542 221 HG23 THR 28 HG23 THR 28 23.698 21.677 -2.261 222 H GLU 29 H GLU 29 22.023 18.099 -0.484 223 HA GLU 29 HA GLU 29 20.414 17.851 -2.811 224 HB2 GLU 29 HB2 GLU 29 18.523 17.394 -1.265 225 HB3 GLU 29 HB3 GLU 29 19.911 16.345 -1.150 226 HG2 GLU 29 HG2 GLU 29 19.783 18.674 0.761 227 HG3 GLU 29 HG3 GLU 29 18.675 17.328 1.001 228 H GLN 30 H GLN 30 20.794 20.737 -0.798 229 HA GLN 30 HA GLN 30 18.493 22.062 -1.927 230 HB2 GLN 30 HB2 GLN 30 19.466 24.136 -1.155 231 HB3 GLN 30 HB3 GLN 30 19.478 22.878 0.064 232 HG2 GLN 30 HG2 GLN 30 21.498 23.854 0.426 233 HG3 GLN 30 HG3 GLN 30 21.977 22.507 -0.582 234 HE21 GLN 30 HE22 GLN 30 23.729 24.608 -0.260 235 HE22 GLN 30 HE21 GLN 30 23.794 25.557 -1.734 236 H GLN 31 H GLN 31 21.734 21.469 -3.249 237 HA GLN 31 HA GLN 31 21.246 23.173 -5.598 238 HB2 GLN 31 HB2 GLN 31 23.395 21.120 -4.924 239 HB3 GLN 31 HB3 GLN 31 23.259 21.871 -6.505 240 HG2 GLN 31 HG2 GLN 31 23.655 23.420 -3.912 241 HG3 GLN 31 HG3 GLN 31 24.920 23.007 -5.062 242 HE21 GLN 31 HE22 GLN 31 22.245 25.201 -4.404 243 HE22 GLN 31 HE21 GLN 31 22.305 26.038 -5.968 244 H PHE 32 H PHE 32 20.829 19.711 -4.774 245 HA PHE 32 HA PHE 32 19.901 18.980 -7.384 246 HB2 PHE 32 HB2 PHE 32 20.682 17.478 -5.521 247 HB3 PHE 32 HB3 PHE 32 19.159 17.781 -4.702 248 HD1 PHE 32 HD2 PHE 32 18.537 17.422 -8.270 249 HD2 PHE 32 HD1 PHE 32 19.461 15.200 -4.683 250 HE1 PHE 32 HE2 PHE 32 17.571 15.391 -9.277 251 HE2 PHE 32 HE1 PHE 32 18.494 13.163 -5.719 252 HZ PHE 32 HZ PHE 32 17.520 13.261 -7.997 253 H LEU 33 H LEU 33 18.110 20.341 -4.560 254 HA LEU 33 HA LEU 33 15.549 20.436 -5.844 255 HB2 LEU 33 HB2 LEU 33 15.978 20.672 -3.434 256 HB3 LEU 33 HB3 LEU 33 16.779 22.202 -3.690 257 HG LEU 33 HG LEU 33 14.484 22.310 -2.701 258 HD11 LEU 33 HD11 LEU 33 13.717 24.226 -3.879 259 HD12 LEU 33 HD12 LEU 33 15.487 24.267 -3.929 260 HD13 LEU 33 HD13 LEU 33 14.556 23.774 -5.366 261 HD21 LEU 33 HD21 LEU 33 12.528 22.012 -4.066 262 HD22 LEU 33 HD22 LEU 33 13.500 21.553 -5.480 263 HD23 LEU 33 HD23 LEU 33 13.452 20.501 -4.039 264 H GLU 34 H GLU 34 18.128 22.925 -5.776 265 HA GLU 34 HA GLU 34 16.738 24.734 -7.470 266 HB2 GLU 34 HB2 GLU 34 18.687 25.269 -6.036 267 HB3 GLU 34 HB3 GLU 34 19.745 24.355 -7.120 268 HG2 GLU 34 HG2 GLU 34 19.385 25.926 -8.921 269 HG3 GLU 34 HG3 GLU 34 18.060 26.704 -8.054 270 H ALA 35 H ALA 35 18.944 22.060 -8.362 271 HA ALA 35 HA ALA 35 18.859 22.550 -11.188 272 HB1 ALA 35 HB1 ALA 35 19.395 19.976 -9.636 273 HB2 ALA 35 HB2 ALA 35 19.804 20.273 -11.339 274 HB3 ALA 35 HB3 ALA 35 20.602 21.209 -10.059 275 H MET 36 H MET 36 16.832 20.404 -9.095 276 HA MET 36 HA MET 36 15.192 19.417 -11.262 277 HB2 MET 36 HB2 MET 36 14.769 19.639 -8.251 278 HB3 MET 36 HB3 MET 36 13.591 18.884 -9.327 279 HG2 MET 36 HG2 MET 36 16.494 18.010 -9.237 280 HG3 MET 36 HG3 MET 36 15.286 17.344 -8.153 281 HE1 MET 36 HE1 MET 36 12.777 16.484 -9.467 282 HE2 MET 36 HE2 MET 36 13.225 14.941 -10.228 283 HE3 MET 36 HE3 MET 36 13.887 15.374 -8.634 284 H GLU 37 H GLU 37 14.775 22.267 -9.073 285 HA GLU 37 HA GLU 37 12.228 22.959 -10.246 286 HB2 GLU 37 HB2 GLU 37 13.062 23.558 -7.971 287 HB3 GLU 37 HB3 GLU 37 14.161 24.735 -8.698 288 HG2 GLU 37 HG2 GLU 37 12.300 26.052 -9.512 289 HG3 GLU 37 HG3 GLU 37 11.149 24.754 -9.175 290 H SER 38 H SER 38 15.591 23.826 -11.100 291 HA SER 38 HA SER 38 14.867 25.740 -13.157 292 HB2 SER 38 HB2 SER 38 17.390 24.063 -12.867 293 HB3 SER 38 HB3 SER 38 17.177 25.467 -13.922 294 HG SER 38 HG SER 38 17.184 25.360 -11.094 295 H THR 39 H THR 39 14.949 22.217 -13.141 296 HA THR 39 HA THR 39 14.807 22.134 -16.133 297 HB THR 39 HB THR 39 15.497 19.779 -15.926 298 HG1 THR 39 HG1 THR 39 16.122 20.364 -13.245 299 HG21 THR 39 HG21 THR 39 17.362 21.778 -14.567 300 HG22 THR 39 HG22 THR 39 17.826 20.175 -15.170 301 HG23 THR 39 HG23 THR 39 17.248 21.420 -16.299 302 H GLY 40 H GLY 40 12.572 22.178 -13.730 303 HA2 GLY 40 HA2 GLY 40 10.309 21.724 -13.844 304 HA3 GLY 40 HA3 GLY 40 10.527 21.005 -15.442 305 H GLY 41 H GLY 41 12.376 19.877 -12.654 306 HA2 GLY 41 HA2 GLY 41 12.222 18.020 -11.319 307 HA3 GLY 41 HA3 GLY 41 10.579 17.738 -11.893 308 H ARG 42 H ARG 42 12.896 17.869 -14.476 309 HA ARG 42 HA ARG 42 12.612 14.971 -14.997 310 HB2 ARG 42 HB2 ARG 42 13.904 17.365 -16.377 311 HB3 ARG 42 HB3 ARG 42 14.337 15.745 -16.885 312 HG2 ARG 42 HG2 ARG 42 11.463 16.745 -16.850 313 HG3 ARG 42 HG3 ARG 42 12.545 16.839 -18.243 314 HD2 ARG 42 HD2 ARG 42 12.908 14.298 -17.961 315 HD3 ARG 42 HD3 ARG 42 11.500 14.316 -16.904 316 HE ARG 42 HE ARG 42 11.598 14.644 -19.818 317 HH11 ARG 42 HH21 ARG 42 9.467 15.238 -17.074 318 HH12 ARG 42 HH22 ARG 42 8.051 15.200 -18.084 319 HH21 ARG 42 HH11 ARG 42 9.797 14.585 -20.993 320 HH22 ARG 42 HH12 ARG 42 8.231 14.844 -20.269 321 H VAL 43 H VAL 43 13.736 13.678 -13.585 322 HA VAL 43 HA VAL 43 16.042 14.516 -12.199 323 HB VAL 43 HB VAL 43 14.580 12.670 -11.504 324 HG11 VAL 43 HG11 VAL 43 14.464 11.379 -13.662 325 HG12 VAL 43 HG12 VAL 43 16.148 10.876 -13.406 326 HG13 VAL 43 HG13 VAL 43 14.888 10.400 -12.258 327 HG21 VAL 43 HG21 VAL 43 16.333 11.303 -10.470 328 HG22 VAL 43 HG22 VAL 43 17.538 11.938 -11.596 329 HG23 VAL 43 HG23 VAL 43 16.762 13.026 -10.424 330 H ARG 44 H ARG 44 15.953 12.784 -15.347 331 HA ARG 44 HA ARG 44 18.767 12.375 -15.546 332 HB2 ARG 44 HB2 ARG 44 18.403 11.916 -17.852 333 HB3 ARG 44 HB3 ARG 44 17.120 11.209 -16.888 334 HG2 ARG 44 HG2 ARG 44 15.630 13.190 -17.577 335 HG3 ARG 44 HG3 ARG 44 16.926 13.660 -18.688 336 HD2 ARG 44 HD2 ARG 44 15.446 10.999 -18.701 337 HD3 ARG 44 HD3 ARG 44 15.134 12.344 -19.789 338 HE ARG 44 HE ARG 44 17.423 10.467 -19.822 339 HH11 ARG 44 HH11 ARG 44 16.079 13.341 -21.338 340 HH12 ARG 44 HH12 ARG 44 17.159 13.225 -22.698 341 HH21 ARG 44 HH21 ARG 44 18.743 10.383 -21.586 342 HH22 ARG 44 HH22 ARG 44 18.627 11.585 -22.835 343 H ILE 45 H ILE 45 16.847 15.223 -16.453 344 HA ILE 45 HA ILE 45 19.156 16.610 -17.624 345 HB ILE 45 HB ILE 45 16.476 17.806 -16.861 346 HG12 ILE 45 HG12 ILE 45 17.336 16.531 -19.509 347 HG13 ILE 45 HG13 ILE 45 16.112 15.903 -18.411 348 HG21 ILE 45 HG21 ILE 45 17.072 19.557 -18.461 349 HG22 ILE 45 HG22 ILE 45 18.418 19.394 -17.346 350 HG23 ILE 45 HG23 ILE 45 18.533 18.671 -18.953 351 HD11 ILE 45 HD11 ILE 45 14.768 18.016 -18.782 352 HD12 ILE 45 HD12 ILE 45 15.913 18.418 -20.088 353 HD13 ILE 45 HD13 ILE 45 14.943 16.943 -20.186 354 H ALA 46 H ALA 46 17.458 16.592 -14.466 355 HA ALA 46 HA ALA 46 18.945 18.732 -13.307 356 HB1 ALA 46 HB1 ALA 46 17.639 16.324 -11.984 357 HB2 ALA 46 HB2 ALA 46 18.089 17.852 -11.186 358 HB3 ALA 46 HB3 ALA 46 16.823 17.836 -12.433 359 H ILE 47 H ILE 47 19.614 15.131 -13.212 360 HA ILE 47 HA ILE 47 22.119 15.561 -11.828 361 HB ILE 47 HB ILE 47 22.675 13.289 -12.220 362 HG12 ILE 47 HG12 ILE 47 20.325 13.122 -14.131 363 HG13 ILE 47 HG13 ILE 47 22.027 13.006 -14.564 364 HG21 ILE 47 HG21 ILE 47 21.007 13.955 -10.490 365 HG22 ILE 47 HG22 ILE 47 19.704 13.488 -11.596 366 HG23 ILE 47 HG23 ILE 47 20.854 12.272 -11.024 367 HD11 ILE 47 HD11 ILE 47 20.445 11.002 -12.917 368 HD12 ILE 47 HD12 ILE 47 21.106 10.796 -14.545 369 HD13 ILE 47 HD13 ILE 47 22.207 10.933 -13.161 370 H ALA 48 H ALA 48 21.357 15.410 -15.356 371 HA ALA 48 HA ALA 48 24.022 15.713 -16.262 372 HB1 ALA 48 HB1 ALA 48 21.415 16.846 -17.369 373 HB2 ALA 48 HB2 ALA 48 22.940 16.702 -18.265 374 HB3 ALA 48 HB3 ALA 48 22.094 15.244 -17.705 375 H LYS 49 H LYS 49 21.722 18.324 -15.204 376 HA LYS 49 HA LYS 49 23.614 20.467 -15.607 377 HB2 LYS 49 HB2 LYS 49 21.084 20.203 -13.931 378 HB3 LYS 49 HB3 LYS 49 22.006 21.703 -14.012 379 HG2 LYS 49 HG2 LYS 49 20.886 20.311 -16.482 380 HG3 LYS 49 HG3 LYS 49 20.027 21.554 -15.567 381 HD2 LYS 49 HD2 LYS 49 21.832 23.177 -16.026 382 HD3 LYS 49 HD3 LYS 49 22.727 21.946 -16.948 383 HE2 LYS 49 HE2 LYS 49 20.830 21.715 -18.515 384 HE3 LYS 49 HE3 LYS 49 19.912 22.922 -17.607 385 HZ1 LYS 49 HZ1 LYS 49 21.637 24.567 -18.178 386 HZ2 LYS 49 HZ2 LYS 49 22.486 23.448 -19.017 387 HZ3 LYS 49 HZ3 LYS 49 21.019 23.918 -19.541 388 H LEU 50 H LEU 50 22.908 18.503 -12.682 389 HA LEU 50 HA LEU 50 24.743 19.879 -10.953 390 HB2 LEU 50 HB2 LEU 50 23.776 16.990 -11.006 391 HB3 LEU 50 HB3 LEU 50 24.780 17.655 -9.724 392 HG LEU 50 HG LEU 50 22.015 18.729 -10.395 393 HD11 LEU 50 HD11 LEU 50 21.886 16.413 -9.577 394 HD12 LEU 50 HD12 LEU 50 22.938 16.822 -8.200 395 HD13 LEU 50 HD13 LEU 50 21.317 17.526 -8.341 396 HD21 LEU 50 HD21 LEU 50 22.187 19.775 -8.165 397 HD22 LEU 50 HD22 LEU 50 23.851 19.189 -8.015 398 HD23 LEU 50 HD23 LEU 50 23.426 20.394 -9.253 399 H LEU 51 H LEU 51 25.317 17.087 -13.169 400 HA LEU 51 HA LEU 51 28.138 16.912 -12.536 401 HB2 LEU 51 HB2 LEU 51 26.468 15.942 -14.887 402 HB3 LEU 51 HB3 LEU 51 28.178 15.564 -14.694 403 HG LEU 51 HG LEU 51 26.060 14.797 -12.642 404 HD11 LEU 51 HD11 LEU 51 26.251 12.533 -13.558 405 HD12 LEU 51 HD12 LEU 51 25.663 13.661 -14.789 406 HD13 LEU 51 HD13 LEU 51 27.354 13.118 -14.823 407 HD21 LEU 51 HD21 LEU 51 28.956 13.925 -12.993 408 HD22 LEU 51 HD22 LEU 51 28.307 14.900 -11.656 409 HD23 LEU 51 HD23 LEU 51 27.799 13.216 -11.844 410 H SER 52 H SER 52 26.354 18.808 -14.976 411 HA SER 52 HA SER 52 28.590 19.603 -16.522 412 HB2 SER 52 HB2 SER 52 25.987 21.095 -16.014 413 HB3 SER 52 HB3 SER 52 27.176 21.512 -17.259 414 HG SER 52 HG SER 52 25.713 19.076 -17.038 415 H LYS 53 H LYS 53 27.663 20.808 -13.347 416 HA LYS 53 HA LYS 53 29.494 23.125 -13.545 417 HB2 LYS 53 HB2 LYS 53 27.874 22.114 -11.177 418 HB3 LYS 53 HB3 LYS 53 28.828 23.603 -11.240 419 HG2 LYS 53 HG2 LYS 53 27.395 24.174 -13.356 420 HG3 LYS 53 HG3 LYS 53 26.277 22.952 -12.742 421 HD2 LYS 53 HD2 LYS 53 27.230 25.464 -11.296 422 HD3 LYS 53 HD3 LYS 53 25.660 25.237 -12.071 423 HE2 LYS 53 HE2 LYS 53 25.109 23.420 -10.462 424 HE3 LYS 53 HE3 LYS 53 26.676 23.651 -9.668 425 HZ1 LYS 53 HZ1 LYS 53 24.896 24.885 -8.510 426 HZ2 LYS 53 HZ2 LYS 53 26.002 25.926 -9.109 427 HZ3 LYS 53 HZ3 LYS 53 24.559 25.745 -9.857 428 H GLN 54 H GLN 54 30.080 19.876 -13.076 429 HA GLN 54 HA GLN 54 32.364 20.258 -11.226 430 HB2 GLN 54 HB2 GLN 54 31.465 17.757 -12.704 431 HB3 GLN 54 HB3 GLN 54 32.701 17.848 -11.461 432 HG2 GLN 54 HG2 GLN 54 29.727 18.389 -11.059 433 HG3 GLN 54 HG3 GLN 54 30.602 16.949 -10.563 434 HE21 GLN 54 HE22 GLN 54 32.432 17.288 -8.906 435 HE22 GLN 54 HE21 GLN 54 32.178 18.574 -7.738 436 H THR 55 H THR 55 34.553 19.502 -11.898 437 HA THR 55 HA THR 55 35.386 20.838 -14.322 438 HB THR 55 HB THR 55 37.649 19.900 -13.713 439 HG1 THR 55 HG1 THR 55 37.797 18.872 -11.697 440 HG21 THR 55 HG21 THR 55 37.923 21.287 -11.718 441 HG22 THR 55 HG22 THR 55 36.861 22.102 -12.876 442 HG23 THR 55 HG23 THR 55 36.167 21.308 -11.445 443 H SER 56 H SER 56 34.903 17.456 -13.501 444 HA SER 56 HA SER 56 34.809 15.538 -14.637 445 HB2 SER 56 HB2 SER 56 33.263 16.754 -16.089 446 HB3 SER 56 HB3 SER 56 34.603 17.168 -17.174 447 HG SER 56 HG SER 56 33.356 15.229 -17.752 448 H GLY 57 H GLY 57 35.934 13.937 -15.694 449 HA2 GLY 57 HA2 GLY 57 38.808 14.424 -16.267 450 HA3 GLY 57 HA3 GLY 57 38.001 12.864 -16.093 451 H GLY 58 H GLY 58 35.903 14.403 -18.052 452 HA2 GLY 58 HA2 GLY 58 36.744 12.963 -20.422 453 HA3 GLY 58 HA3 GLY 58 35.311 13.968 -20.238 454 H SER 59 H SER 59 36.560 13.948 -22.587 455 HA SER 59 HA SER 59 37.732 16.675 -22.901 456 HB2 SER 59 HB2 SER 59 38.740 14.132 -24.238 457 HB3 SER 59 HB3 SER 59 39.260 15.778 -24.636 458 HG SER 59 HG SER 59 40.704 14.734 -23.166 459 H GLY 60 H GLY 60 37.417 17.621 -24.999 460 HA2 GLY 60 HA2 GLY 60 34.833 17.155 -26.163 461 HA3 GLY 60 HA3 GLY 60 36.068 18.250 -26.778 462 H GLY 61 H GLY 61 34.229 16.418 -28.201 463 HA2 GLY 61 HA2 GLY 61 35.699 14.144 -29.214 464 HA3 GLY 61 HA3 GLY 61 34.158 14.771 -29.802 465 H SER 62 H SER 62 35.708 17.469 -30.197 466 HA SER 62 HA SER 62 36.477 18.648 -31.965 467 HB2 SER 62 HB2 SER 62 38.531 17.319 -31.325 468 HB3 SER 62 HB3 SER 62 38.194 16.275 -32.719 469 HG SER 62 HG SER 62 39.651 18.079 -33.148 470 H LYS 63 H LYS 63 37.130 18.262 -34.528 471 HA LYS 63 HA LYS 63 34.544 17.841 -35.813 472 HB2 LYS 63 HB2 LYS 63 35.659 18.525 -37.858 473 HB3 LYS 63 HB3 LYS 63 35.982 19.654 -36.553 474 HG2 LYS 63 HG2 LYS 63 38.232 19.283 -36.577 475 HG3 LYS 63 HG3 LYS 63 38.065 17.543 -36.776 476 HD2 LYS 63 HD2 LYS 63 39.167 18.437 -38.721 477 HD3 LYS 63 HD3 LYS 63 37.576 17.812 -39.169 478 HE2 LYS 63 HE2 LYS 63 36.700 20.217 -38.997 479 HE3 LYS 63 HE3 LYS 63 38.367 20.742 -38.755 480 HZ1 LYS 63 HZ1 LYS 63 38.897 19.764 -40.953 481 HZ2 LYS 63 HZ2 LYS 63 37.328 19.305 -41.153 482 HZ3 LYS 63 HZ3 LYS 63 37.725 20.896 -41.094 483 H LEU 64 H LEU 64 34.139 16.517 -37.652 484 HA LEU 64 HA LEU 64 35.548 13.871 -37.610 485 HB2 LEU 64 HB2 LEU 64 32.587 14.492 -37.927 486 HB3 LEU 64 HB3 LEU 64 33.290 12.885 -38.035 487 HG LEU 64 HG LEU 64 33.334 14.617 -35.525 488 HD11 LEU 64 HD11 LEU 64 31.655 13.037 -34.685 489 HD12 LEU 64 HD12 LEU 64 31.068 13.865 -36.132 490 HD13 LEU 64 HD13 LEU 64 31.646 12.186 -36.246 491 HD21 LEU 64 HD21 LEU 64 34.000 12.512 -34.392 492 HD22 LEU 64 HD22 LEU 64 34.120 11.699 -35.967 493 HD23 LEU 64 HD23 LEU 64 35.222 13.031 -35.553 494 H GLY 65 H GLY 65 35.268 16.444 -39.674 495 HA2 GLY 65 HA2 GLY 65 36.154 15.006 -41.963 496 HA3 GLY 65 HA3 GLY 65 34.418 15.256 -42.115 497 H GLY 66 H GLY 66 34.962 16.425 -44.033 498 HA2 GLY 66 HA2 GLY 66 36.305 19.032 -43.937 499 HA3 GLY 66 HA3 GLY 66 35.482 18.297 -45.305 500 H SER 67 H SER 67 34.897 20.676 -45.458 501 HA SER 67 HA SER 67 32.773 21.714 -43.757 502 HB2 SER 67 HB2 SER 67 32.733 23.565 -45.395 503 HB3 SER 67 HB3 SER 67 34.350 23.240 -44.754 504 HG SER 67 HG SER 67 34.350 23.531 -47.051 505 H GLY 68 H GLY 68 30.677 22.447 -44.633 506 HA2 GLY 68 HA2 GLY 68 28.660 22.136 -45.750 507 HA3 GLY 68 HA3 GLY 68 29.470 21.099 -46.918 508 H GLY 69 H GLY 69 27.457 19.858 -46.767 509 HA2 GLY 69 HA2 GLY 69 26.409 17.883 -46.224 510 HA3 GLY 69 HA3 GLY 69 27.719 17.522 -45.101 511 H SER 70 H SER 70 25.961 20.500 -44.576 512 HA SER 70 HA SER 70 25.325 19.730 -41.887 513 HB2 SER 70 HB2 SER 70 24.530 22.028 -41.684 514 HB3 SER 70 HB3 SER 70 26.060 21.972 -42.576 515 HG SER 70 HG SER 70 24.915 23.153 -43.953 516 H ARG 71 H ARG 71 23.528 19.106 -44.666 517 HA ARG 71 HA ARG 71 20.847 19.696 -43.708 518 HB2 ARG 71 HB2 ARG 71 21.737 17.912 -46.010 519 HB3 ARG 71 HB3 ARG 71 20.122 18.558 -45.750 520 HG2 ARG 71 HG2 ARG 71 22.610 20.167 -46.476 521 HG3 ARG 71 HG3 ARG 71 21.244 19.776 -47.502 522 HD2 ARG 71 HD2 ARG 71 20.812 21.973 -46.921 523 HD3 ARG 71 HD3 ARG 71 19.782 21.057 -45.813 524 HE ARG 71 HE ARG 71 22.497 21.887 -44.871 525 HH11 ARG 71 HH11 ARG 71 19.075 22.667 -44.749 526 HH12 ARG 71 HH12 ARG 71 19.270 23.657 -43.328 527 HH21 ARG 71 HH21 ARG 71 22.671 23.106 -43.107 528 HH22 ARG 71 HH22 ARG 71 21.282 23.916 -42.412 529 H LYS 72 H LYS 72 22.915 17.166 -42.917 530 HA LYS 72 HA LYS 72 20.721 15.677 -41.587 531 HB2 LYS 72 HB2 LYS 72 21.616 13.512 -42.257 532 HB3 LYS 72 HB3 LYS 72 21.130 14.452 -43.664 533 HG2 LYS 72 HG2 LYS 72 23.516 15.047 -44.095 534 HG3 LYS 72 HG3 LYS 72 24.001 14.091 -42.677 535 HD2 LYS 72 HD2 LYS 72 23.054 12.054 -43.729 536 HD3 LYS 72 HD3 LYS 72 22.560 13.012 -45.142 537 HE2 LYS 72 HE2 LYS 72 24.932 13.635 -45.551 538 HE3 LYS 72 HE3 LYS 72 25.432 12.680 -44.151 539 HZ1 LYS 72 HZ1 LYS 72 24.574 10.688 -45.288 540 HZ2 LYS 72 HZ2 LYS 72 24.112 11.573 -46.584 541 HZ3 LYS 72 HZ3 LYS 72 25.694 11.420 -46.220 542 H ASP 73 H ASP 73 21.458 14.263 -39.871 543 HA ASP 73 HA ASP 73 24.116 14.732 -38.702 544 HB2 ASP 73 HB2 ASP 73 22.741 16.678 -37.943 545 HB3 ASP 73 HB3 ASP 73 21.564 15.561 -37.254 546 H LEU 74 H LEU 74 24.651 13.213 -37.040 547 HA LEU 74 HA LEU 74 23.638 10.602 -37.313 548 HB2 LEU 74 HB2 LEU 74 25.871 11.306 -36.509 549 HB3 LEU 74 HB3 LEU 74 25.173 11.904 -35.018 550 HG LEU 74 HG LEU 74 26.427 9.742 -34.928 551 HD11 LEU 74 HD11 LEU 74 24.804 10.397 -33.154 552 HD12 LEU 74 HD12 LEU 74 23.584 9.382 -33.948 553 HD13 LEU 74 HD13 LEU 74 25.067 8.656 -33.320 554 HD21 LEU 74 HD21 LEU 74 25.572 8.746 -37.026 555 HD22 LEU 74 HD22 LEU 74 25.419 7.665 -35.625 556 HD23 LEU 74 HD23 LEU 74 23.987 8.507 -36.250 557 H SER 75 H SER 75 22.707 13.128 -34.972 558 HA SER 75 HA SER 75 20.822 11.293 -33.611 559 HB2 SER 75 HB2 SER 75 21.732 14.080 -32.845 560 HB3 SER 75 HB3 SER 75 20.696 13.008 -31.880 561 HG SER 75 HG SER 75 22.916 12.890 -31.248 562 H VAL 76 H VAL 76 20.298 12.567 -36.374 563 HA VAL 76 HA VAL 76 18.129 14.413 -36.012 564 HB VAL 76 HB VAL 76 19.532 14.104 -38.068 565 HG11 VAL 76 HG11 VAL 76 19.290 11.610 -38.299 566 HG12 VAL 76 HG12 VAL 76 17.590 11.854 -38.759 567 HG13 VAL 76 HG13 VAL 76 18.887 12.511 -39.766 568 HG21 VAL 76 HG21 VAL 76 17.805 14.766 -39.618 569 HG22 VAL 76 HG22 VAL 76 16.536 14.121 -38.562 570 HG23 VAL 76 HG23 VAL 76 17.513 15.512 -38.037 571 H LYS 77 H LYS 77 18.205 10.928 -35.857 572 HA LYS 77 HA LYS 77 15.337 10.500 -36.239 573 HB2 LYS 77 HB2 LYS 77 17.530 8.677 -35.156 574 HB3 LYS 77 HB3 LYS 77 15.861 8.188 -35.460 575 HG2 LYS 77 HG2 LYS 77 16.115 8.789 -37.864 576 HG3 LYS 77 HG3 LYS 77 17.813 9.212 -37.573 577 HD2 LYS 77 HD2 LYS 77 18.265 6.883 -36.828 578 HD3 LYS 77 HD3 LYS 77 16.565 6.462 -37.126 579 HE2 LYS 77 HE2 LYS 77 16.827 7.072 -39.521 580 HE3 LYS 77 HE3 LYS 77 18.519 7.500 -39.234 581 HZ1 LYS 77 HZ1 LYS 77 18.932 5.167 -38.613 582 HZ2 LYS 77 HZ2 LYS 77 17.367 4.771 -38.881 583 HZ3 LYS 77 HZ3 LYS 77 18.314 5.240 -40.121 584 H GLY 78 H GLY 78 13.827 9.812 -34.697 585 HA2 GLY 78 HA2 GLY 78 13.804 11.301 -32.241 586 HA3 GLY 78 HA3 GLY 78 12.617 10.103 -32.746 587 H MET 79 H MET 79 13.592 10.546 -30.093 588 HA MET 79 HA MET 79 14.444 7.820 -29.372 589 HB2 MET 79 HB2 MET 79 16.538 9.184 -29.649 590 HB3 MET 79 HB3 MET 79 15.943 10.309 -28.432 591 HG2 MET 79 HG2 MET 79 17.595 8.701 -27.539 592 HG3 MET 79 HG3 MET 79 16.052 8.612 -26.709 593 HE1 MET 79 HE1 MET 79 17.077 6.970 -30.241 594 HE2 MET 79 HE2 MET 79 18.531 6.894 -29.216 595 HE3 MET 79 HE3 MET 79 17.672 5.403 -29.660 596 H LEU 80 H LEU 80 13.935 7.240 -27.216 597 HA LEU 80 HA LEU 80 12.151 9.074 -25.675 598 HB2 LEU 80 HB2 LEU 80 11.615 6.172 -26.436 599 HB3 LEU 80 HB3 LEU 80 10.675 7.074 -25.253 600 HG LEU 80 HG LEU 80 10.886 7.808 -28.209 601 HD11 LEU 80 HD11 LEU 80 8.630 6.475 -26.657 602 HD12 LEU 80 HD12 LEU 80 8.591 6.963 -28.365 603 HD13 LEU 80 HD13 LEU 80 9.696 5.682 -27.841 604 HD21 LEU 80 HD21 LEU 80 10.361 9.777 -26.809 605 HD22 LEU 80 HD22 LEU 80 8.943 9.266 -27.722 606 HD23 LEU 80 HD23 LEU 80 9.072 8.867 -25.994 607 H TYR 81 H TYR 81 11.881 8.557 -23.471 608 HA TYR 81 HA TYR 81 13.742 6.669 -22.175 609 HB2 TYR 81 HB2 TYR 81 14.601 8.431 -20.662 610 HB3 TYR 81 HB3 TYR 81 15.092 8.666 -22.327 611 HD1 TYR 81 HD1 TYR 81 12.794 9.908 -19.653 612 HD2 TYR 81 HD2 TYR 81 14.461 10.629 -23.569 613 HE1 TYR 81 HE1 TYR 81 11.834 12.198 -19.639 614 HE2 TYR 81 HE2 TYR 81 13.510 12.931 -23.550 615 HH TYR 81 HH TYR 81 12.273 14.474 -22.397 616 H ASP 82 H ASP 82 13.299 6.410 -19.868 617 HA ASP 82 HA ASP 82 10.795 7.500 -18.765 618 HB2 ASP 82 HB2 ASP 82 10.033 5.471 -19.942 619 HB3 ASP 82 HB3 ASP 82 11.252 4.507 -19.105 620 H SER 83 H SER 83 10.983 7.867 -16.606 621 HA SER 83 HA SER 83 12.729 6.324 -14.872 622 HB2 SER 83 HB2 SER 83 14.295 7.966 -16.037 623 HB3 SER 83 HB3 SER 83 13.423 9.272 -15.211 624 HG SER 83 HG SER 83 15.378 8.339 -14.135 625 H ASP 84 H ASP 84 12.787 7.414 -12.646 626 HA ASP 84 HA ASP 84 10.026 7.786 -11.770 627 HB2 ASP 84 HB2 ASP 84 12.686 7.300 -10.410 628 HB3 ASP 84 HB3 ASP 84 11.298 7.784 -9.459 629 H SER 85 H SER 85 11.199 10.105 -13.266 630 HA SER 85 HA SER 85 12.192 12.195 -11.845 631 HB2 SER 85 HB2 SER 85 10.199 12.127 -14.114 632 HB3 SER 85 HB3 SER 85 10.819 13.658 -13.491 633 HG SER 85 HG SER 85 12.029 12.146 -15.227 634 H GLN 86 H GLN 86 8.607 11.601 -12.004 635 HA GLN 86 HA GLN 86 8.026 13.889 -10.311 636 HB2 GLN 86 HB2 GLN 86 6.355 11.478 -11.126 637 HB3 GLN 86 HB3 GLN 86 5.722 12.844 -10.217 638 HG2 GLN 86 HG2 GLN 86 6.952 13.061 -13.005 639 HG3 GLN 86 HG3 GLN 86 5.234 12.919 -12.669 640 HE21 GLN 86 HE22 GLN 86 5.759 15.061 -14.135 641 HE22 GLN 86 HE21 GLN 86 5.754 16.521 -13.157 642 H GLN 87 H GLN 87 8.379 10.391 -9.599 643 HA GLN 87 HA GLN 87 7.633 10.608 -6.818 644 HB2 GLN 87 HB2 GLN 87 7.389 8.593 -8.051 645 HB3 GLN 87 HB3 GLN 87 9.094 8.532 -8.495 646 HG2 GLN 87 HG2 GLN 87 9.764 7.755 -6.426 647 HG3 GLN 87 HG3 GLN 87 8.381 8.462 -5.572 648 HE21 GLN 87 HE22 GLN 87 8.986 5.878 -8.168 649 HE22 GLN 87 HE21 GLN 87 7.747 4.847 -7.478 650 H ILE 88 H ILE 88 10.801 10.600 -8.481 651 HA ILE 88 HA ILE 88 12.445 11.039 -6.155 652 HB ILE 88 HB ILE 88 12.834 11.723 -9.092 653 HG12 ILE 88 HG12 ILE 88 12.731 9.283 -8.481 654 HG13 ILE 88 HG13 ILE 88 14.204 9.805 -9.271 655 HG21 ILE 88 HG21 ILE 88 15.287 11.944 -8.484 656 HG22 ILE 88 HG22 ILE 88 14.261 13.258 -7.923 657 HG23 ILE 88 HG23 ILE 88 14.790 12.013 -6.781 658 HD11 ILE 88 HD11 ILE 88 14.576 8.170 -7.430 659 HD12 ILE 88 HD12 ILE 88 15.450 9.684 -7.173 660 HD13 ILE 88 HD13 ILE 88 13.957 9.348 -6.263 661 H LEU 89 H LEU 89 10.899 13.427 -8.455 662 HA LEU 89 HA LEU 89 11.766 15.729 -7.057 663 HB2 LEU 89 HB2 LEU 89 10.633 15.759 -9.302 664 HB3 LEU 89 HB3 LEU 89 9.148 15.204 -8.554 665 HG LEU 89 HG LEU 89 9.060 17.349 -7.213 666 HD11 LEU 89 HD11 LEU 89 10.404 19.258 -8.020 667 HD12 LEU 89 HD12 LEU 89 11.462 17.998 -7.360 668 HD13 LEU 89 HD13 LEU 89 11.281 18.193 -9.121 669 HD21 LEU 89 HD21 LEU 89 7.734 17.055 -9.250 670 HD22 LEU 89 HD22 LEU 89 8.302 18.723 -9.108 671 HD23 LEU 89 HD23 LEU 89 9.094 17.605 -10.243 672 H ASN 90 H ASN 90 8.737 13.820 -6.481 673 HA ASN 90 HA ASN 90 7.775 15.425 -4.392 674 HB2 ASN 90 HB2 ASN 90 6.537 13.598 -5.565 675 HB3 ASN 90 HB3 ASN 90 7.516 12.396 -4.720 676 HD21 ASN 90 HD21 ASN 90 5.255 11.666 -4.094 677 HD22 ASN 90 HD22 ASN 90 4.571 12.411 -2.660 678 H ARG 91 H ARG 91 9.872 12.435 -3.972 679 HA ARG 91 HA ARG 91 10.095 13.037 -1.129 680 HB2 ARG 91 HB2 ARG 91 10.182 10.755 -1.928 681 HB3 ARG 91 HB3 ARG 91 11.622 11.085 -2.875 682 HG2 ARG 91 HG2 ARG 91 12.005 9.817 -0.759 683 HG3 ARG 91 HG3 ARG 91 12.998 11.252 -0.932 684 HD2 ARG 91 HD2 ARG 91 12.190 10.893 1.392 685 HD3 ARG 91 HD3 ARG 91 11.762 12.446 0.749 686 HE ARG 91 HE ARG 91 9.474 11.882 0.656 687 HH11 ARG 91 HH11 ARG 91 11.226 9.089 1.904 688 HH12 ARG 91 HH12 ARG 91 9.773 8.443 2.617 689 HH21 ARG 91 HH21 ARG 91 7.830 11.105 1.509 690 HH22 ARG 91 HH22 ARG 91 7.825 9.591 2.430 691 H LEU 92 H LEU 92 12.055 14.062 -3.899 692 HA LEU 92 HA LEU 92 14.267 14.997 -2.307 693 HB2 LEU 92 HB2 LEU 92 14.345 14.526 -4.708 694 HB3 LEU 92 HB3 LEU 92 13.197 15.809 -5.051 695 HG LEU 92 HG LEU 92 15.505 16.268 -5.638 696 HD11 LEU 92 HD11 LEU 92 14.658 18.279 -3.551 697 HD12 LEU 92 HD12 LEU 92 15.647 18.487 -4.996 698 HD13 LEU 92 HD13 LEU 92 13.922 18.121 -5.180 699 HD21 LEU 92 HD21 LEU 92 16.059 16.427 -2.639 700 HD22 LEU 92 HD22 LEU 92 16.671 15.174 -3.748 701 HD23 LEU 92 HD23 LEU 92 17.184 16.863 -3.935 702 H ARG 93 H ARG 93 11.306 16.672 -3.525 703 HA ARG 93 HA ARG 93 11.876 19.172 -2.176 704 HB2 ARG 93 HB2 ARG 93 9.207 17.982 -3.069 705 HB3 ARG 93 HB3 ARG 93 9.422 19.603 -2.403 706 HG2 ARG 93 HG2 ARG 93 11.119 20.027 -4.281 707 HG3 ARG 93 HG3 ARG 93 10.549 18.531 -5.007 708 HD2 ARG 93 HD2 ARG 93 9.195 20.067 -6.094 709 HD3 ARG 93 HD3 ARG 93 8.158 19.611 -4.754 710 HE ARG 93 HE ARG 93 8.453 21.730 -3.772 711 HH11 ARG 93 HH11 ARG 93 10.562 21.595 -6.633 712 HH12 ARG 93 HH12 ARG 93 10.812 23.349 -6.518 713 HH21 ARG 93 HH21 ARG 93 8.935 23.963 -3.864 714 HH22 ARG 93 HH22 ARG 93 9.996 24.516 -5.161 715 H GLU 94 H GLU 94 10.071 16.254 -1.033 716 HA GLU 94 HA GLU 94 9.432 17.379 1.510 717 HB2 GLU 94 HB2 GLU 94 9.999 14.490 0.753 718 HB3 GLU 94 HB3 GLU 94 9.338 15.010 2.310 719 HG2 GLU 94 HG2 GLU 94 7.393 16.012 1.190 720 HG3 GLU 94 HG3 GLU 94 7.986 15.463 -0.368 721 H ARG 95 H ARG 95 12.354 15.475 0.568 722 HA ARG 95 HA ARG 95 13.677 15.552 3.082 723 HB2 ARG 95 HB2 ARG 95 14.378 14.082 1.251 724 HB3 ARG 95 HB3 ARG 95 14.767 15.477 0.236 725 HG2 ARG 95 HG2 ARG 95 16.542 16.145 1.876 726 HG3 ARG 95 HG3 ARG 95 16.233 14.677 2.799 727 HD2 ARG 95 HD2 ARG 95 16.877 14.492 -0.159 728 HD3 ARG 95 HD3 ARG 95 18.152 14.931 0.962 729 HE ARG 95 HE ARG 95 16.577 12.382 1.299 730 HH11 ARG 95 HH11 ARG 95 19.846 13.922 1.363 731 HH12 ARG 95 HH12 ARG 95 20.534 12.291 1.385 732 HH21 ARG 95 HH21 ARG 95 17.709 10.547 1.607 733 HH22 ARG 95 HH22 ARG 95 19.490 10.618 1.532 734 H VAL 96 H VAL 96 13.836 17.921 0.389 735 HA VAL 96 HA VAL 96 15.841 19.512 1.809 736 HB VAL 96 HB VAL 96 14.393 19.994 -0.814 737 HG11 VAL 96 HG11 VAL 96 16.280 21.624 -1.218 738 HG12 VAL 96 HG12 VAL 96 15.158 22.163 0.033 739 HG13 VAL 96 HG13 VAL 96 16.736 21.474 0.483 740 HG21 VAL 96 HG21 VAL 96 15.968 18.017 -0.713 741 HG22 VAL 96 HG22 VAL 96 16.534 19.286 -1.786 742 HG23 VAL 96 HG23 VAL 96 17.245 19.120 -0.164 743 H SER 97 H SER 97 12.312 19.948 1.167 744 HA SER 97 HA SER 97 12.251 22.474 2.568 745 HB2 SER 97 HB2 SER 97 10.012 20.545 1.860 746 HB3 SER 97 HB3 SER 97 9.779 22.154 2.572 747 HG SER 97 HG SER 97 9.640 22.200 0.265 748 H GLY 98 H GLY 98 12.140 19.098 3.626 749 HA2 GLY 98 HA2 GLY 98 12.925 18.520 5.769 750 HA3 GLY 98 HA3 GLY 98 12.319 20.031 6.443 751 H SER 99 H SER 99 9.997 18.411 4.438 752 HA SER 99 HA SER 99 8.296 17.885 6.757 753 HB2 SER 99 HB2 SER 99 6.593 17.335 5.026 754 HB3 SER 99 HB3 SER 99 7.292 18.961 4.899 755 HG SER 99 HG SER 99 7.162 17.880 2.865 756 H THR 100 H THR 100 10.682 15.985 5.389 757 HA THR 100 HA THR 100 9.454 13.356 5.629 758 HB THR 100 HB THR 100 11.887 12.622 5.845 759 HG1 THR 100 HG1 THR 100 13.439 14.166 5.551 760 HG21 THR 100 HG21 THR 100 10.701 12.699 3.653 761 HG22 THR 100 HG22 THR 100 11.234 14.382 3.456 762 HG23 THR 100 HG23 THR 100 12.431 13.074 3.505 763 H ALA 101 H ALA 101 10.648 15.668 7.988 764 HA ALA 101 HA ALA 101 11.174 13.794 10.108 765 HB1 ALA 101 HB1 ALA 101 11.204 15.810 11.525 766 HB2 ALA 101 HB2 ALA 101 12.139 16.051 10.038 767 HB3 ALA 101 HB3 ALA 101 10.516 16.770 10.199 768 H GLN 102 H GLN 102 9.906 13.061 11.791 769 HA GLN 102 HA GLN 102 7.003 13.045 11.300 770 HB2 GLN 102 HB2 GLN 102 8.743 11.484 13.241 771 HB3 GLN 102 HB3 GLN 102 7.007 11.256 13.017 772 HG2 GLN 102 HG2 GLN 102 7.392 10.717 10.607 773 HG3 GLN 102 HG3 GLN 102 9.135 10.820 10.877 774 HE21 GLN 102 HE22 GLN 102 10.104 9.227 12.480 775 HE22 GLN 102 HE21 GLN 102 9.283 7.687 12.672 776 H SER 103 H SER 103 9.060 14.865 13.338 777 HA SER 103 HA SER 103 6.777 15.753 15.049 778 HB2 SER 103 HB2 SER 103 9.569 15.058 16.038 779 HB3 SER 103 HB3 SER 103 8.283 15.804 17.005 780 HG SER 103 HG SER 103 8.394 13.512 17.307 781 H ALA 104 H ALA 104 6.965 17.849 15.917 782 HA ALA 104 HA ALA 104 8.377 19.793 14.280 783 HB1 ALA 104 HB1 ALA 104 7.211 21.432 15.689 784 HB2 ALA 104 HB2 ALA 104 6.087 20.193 15.106 785 HB3 ALA 104 HB3 ALA 104 6.679 20.140 16.785 Start of MODEL 3 1 H1 SER 1 H1 SER 1 0.849 -13.092 -3.410 2 H2 SER 1 H2 SER 1 0.019 -14.481 -3.656 3 H3 SER 1 H3 SER 1 0.750 -13.732 -4.916 4 HA SER 1 HA SER 1 -1.605 -13.355 -5.024 5 HB2 SER 1 HB2 SER 1 -1.296 -12.094 -2.266 6 HB3 SER 1 HB3 SER 1 -2.783 -12.179 -3.237 7 HG SER 1 HG SER 1 -2.664 -13.888 -1.696 8 H VAL 2 H VAL 2 -2.500 -11.390 -5.854 9 HA VAL 2 HA VAL 2 -0.413 -9.363 -6.470 10 HB VAL 2 HB VAL 2 -1.827 -8.703 -8.333 11 HG11 VAL 2 HG11 VAL 2 -1.547 -10.693 -9.688 12 HG12 VAL 2 HG12 VAL 2 -0.163 -10.514 -8.598 13 HG13 VAL 2 HG13 VAL 2 -1.421 -11.719 -8.247 14 HG21 VAL 2 HG21 VAL 2 -3.726 -10.951 -7.523 15 HG22 VAL 2 HG22 VAL 2 -4.075 -9.209 -7.403 16 HG23 VAL 2 HG23 VAL 2 -3.809 -9.954 -8.985 17 H SER 3 H SER 3 -3.035 -9.495 -4.317 18 HA SER 3 HA SER 3 -3.903 -6.733 -4.550 19 HB2 SER 3 HB2 SER 3 -5.278 -8.635 -3.639 20 HB3 SER 3 HB3 SER 3 -4.276 -8.572 -2.171 21 HG SER 3 HG SER 3 -6.213 -7.276 -2.038 22 H ILE 4 H ILE 4 -3.671 -5.095 -2.937 23 HA ILE 4 HA ILE 4 -0.880 -4.711 -2.202 24 HB ILE 4 HB ILE 4 -1.419 -2.477 -1.659 25 HG12 ILE 4 HG12 ILE 4 -3.504 -2.586 -0.476 26 HG13 ILE 4 HG13 ILE 4 -3.587 -1.434 -1.790 27 HG21 ILE 4 HG21 ILE 4 -2.851 -3.254 -4.229 28 HG22 ILE 4 HG22 ILE 4 -2.193 -1.662 -3.816 29 HG23 ILE 4 HG23 ILE 4 -1.104 -3.042 -4.011 30 HD11 ILE 4 HD11 ILE 4 -4.916 -4.168 -1.707 31 HD12 ILE 4 HD12 ILE 4 -5.685 -2.580 -1.651 32 HD13 ILE 4 HD13 ILE 4 -4.896 -3.111 -3.144 33 H LEU 5 H LEU 5 -0.083 -4.032 -0.172 34 HA LEU 5 HA LEU 5 -1.314 -5.423 2.143 35 HB2 LEU 5 HB2 LEU 5 1.418 -4.134 1.794 36 HB3 LEU 5 HB3 LEU 5 0.887 -5.026 3.213 37 HG LEU 5 HG LEU 5 1.281 -6.197 0.426 38 HD11 LEU 5 HD11 LEU 5 3.373 -5.619 1.592 39 HD12 LEU 5 HD12 LEU 5 2.853 -6.556 3.011 40 HD13 LEU 5 HD13 LEU 5 3.171 -7.375 1.463 41 HD21 LEU 5 HD21 LEU 5 0.505 -7.563 3.043 42 HD22 LEU 5 HD22 LEU 5 -0.495 -7.438 1.575 43 HD23 LEU 5 HD23 LEU 5 0.984 -8.397 1.548 44 H ARG 6 H ARG 6 -1.309 -4.384 4.259 45 HA ARG 6 HA ARG 6 -2.646 -1.802 4.210 46 HB2 ARG 6 HB2 ARG 6 -1.669 -3.545 6.519 47 HB3 ARG 6 HB3 ARG 6 -2.643 -2.084 6.703 48 HG2 ARG 6 HG2 ARG 6 -4.458 -3.100 5.331 49 HG3 ARG 6 HG3 ARG 6 -3.501 -4.577 5.167 50 HD2 ARG 6 HD2 ARG 6 -5.108 -4.950 6.898 51 HD3 ARG 6 HD3 ARG 6 -3.511 -4.828 7.655 52 HE ARG 6 HE ARG 6 -4.871 -2.266 7.598 53 HH11 ARG 6 HH11 ARG 6 -4.901 -5.279 9.390 54 HH12 ARG 6 HH12 ARG 6 -5.542 -4.528 10.827 55 HH21 ARG 6 HH21 ARG 6 -5.665 -1.364 9.476 56 HH22 ARG 6 HH22 ARG 6 -5.955 -2.365 10.868 57 H SER 7 H SER 7 0.667 -2.668 4.595 58 HA SER 7 HA SER 7 1.430 0.175 5.083 59 HB2 SER 7 HB2 SER 7 2.669 -2.254 6.435 60 HB3 SER 7 HB3 SER 7 3.261 -0.587 6.555 61 HG SER 7 HG SER 7 1.930 -1.168 8.345 62 H SER 8 H SER 8 3.525 0.756 4.290 63 HA SER 8 HA SER 8 4.910 -1.122 2.461 64 HB2 SER 8 HB2 SER 8 3.205 -0.000 1.084 65 HB3 SER 8 HB3 SER 8 3.841 1.583 1.570 66 HG SER 8 HG SER 8 4.634 0.690 -0.495 67 H VAL 9 H VAL 9 6.986 -0.517 1.882 68 HA VAL 9 HA VAL 9 8.287 1.657 3.487 69 HB VAL 9 HB VAL 9 10.312 0.293 3.621 70 HG11 VAL 9 HG11 VAL 9 7.895 -1.140 4.775 71 HG12 VAL 9 HG12 VAL 9 9.573 -1.222 5.353 72 HG13 VAL 9 HG13 VAL 9 8.675 0.302 5.467 73 HG21 VAL 9 HG21 VAL 9 8.653 -2.018 2.523 74 HG22 VAL 9 HG22 VAL 9 9.970 -1.194 1.658 75 HG23 VAL 9 HG23 VAL 9 10.314 -2.092 3.141 76 H ASN 10 H ASN 10 7.264 1.329 0.534 77 HA ASN 10 HA ASN 10 9.226 1.267 -1.363 78 HB2 ASN 10 HB2 ASN 10 6.830 1.484 -1.828 79 HB3 ASN 10 HB3 ASN 10 6.796 3.122 -1.176 80 HD21 ASN 10 HD22 ASN 10 7.683 4.890 -2.492 81 HD22 ASN 10 HD21 ASN 10 8.024 4.581 -4.184 82 H HIS 11 H HIS 11 8.437 4.205 0.540 83 HA HIS 11 HA HIS 11 10.149 5.905 -1.012 84 HB2 HIS 11 HB2 HIS 11 8.852 6.295 1.697 85 HB3 HIS 11 HB3 HIS 11 9.711 7.557 0.807 86 HD2 HIS 11 HD2 HIS 11 6.503 7.606 1.474 87 HE1 HIS 11 HE1 HIS 11 6.035 7.184 -2.742 88 HE2 HIS 11 HE2 HIS 11 4.869 7.852 -0.578 89 H ARG 12 H ARG 12 11.053 3.715 1.555 90 HA ARG 12 HA ARG 12 13.551 4.983 2.291 91 HB2 ARG 12 HB2 ARG 12 12.863 2.015 2.084 92 HB3 ARG 12 HB3 ARG 12 14.291 2.692 2.869 93 HG2 ARG 12 HG2 ARG 12 12.815 3.924 4.476 94 HG3 ARG 12 HG3 ARG 12 11.402 3.141 3.745 95 HD2 ARG 12 HD2 ARG 12 12.418 0.911 4.290 96 HD3 ARG 12 HD3 ARG 12 13.737 1.755 5.130 97 HE ARG 12 HE ARG 12 11.337 2.743 6.222 98 HH11 ARG 12 HH11 ARG 12 12.994 -0.351 6.182 99 HH12 ARG 12 HH12 ARG 12 12.278 -0.852 7.690 100 HH21 ARG 12 HH21 ARG 12 10.469 2.037 8.143 101 HH22 ARG 12 HH22 ARG 12 10.893 0.474 8.771 102 H GLU 13 H GLU 13 12.679 2.817 -0.414 103 HA GLU 13 HA GLU 13 15.376 2.682 -1.493 104 HB2 GLU 13 HB2 GLU 13 12.662 2.132 -2.755 105 HB3 GLU 13 HB3 GLU 13 14.225 1.771 -3.498 106 HG2 GLU 13 HG2 GLU 13 14.775 0.270 -1.585 107 HG3 GLU 13 HG3 GLU 13 13.188 0.586 -0.885 108 H VAL 14 H VAL 14 12.606 4.878 -2.008 109 HA VAL 14 HA VAL 14 13.835 6.335 -4.192 110 HB VAL 14 HB VAL 14 11.700 7.330 -2.269 111 HG11 VAL 14 HG11 VAL 14 12.710 9.130 -3.635 112 HG12 VAL 14 HG12 VAL 14 12.498 8.146 -5.090 113 HG13 VAL 14 HG13 VAL 14 11.078 8.778 -4.212 114 HG21 VAL 14 HG21 VAL 14 10.953 5.215 -3.366 115 HG22 VAL 14 HG22 VAL 14 10.052 6.611 -3.944 116 HG23 VAL 14 HG23 VAL 14 11.352 5.908 -4.948 117 H ASP 15 H ASP 15 13.743 6.872 -0.626 118 HA ASP 15 HA ASP 15 15.297 9.253 -0.577 119 HB2 ASP 15 HB2 ASP 15 13.939 8.282 1.284 120 HB3 ASP 15 HB3 ASP 15 15.145 7.012 1.482 121 H GLU 16 H GLU 16 16.310 5.798 -0.374 122 HA GLU 16 HA GLU 16 19.121 6.231 -0.307 123 HB2 GLU 16 HB2 GLU 16 18.082 4.090 0.240 124 HB3 GLU 16 HB3 GLU 16 17.454 3.929 -1.403 125 HG2 GLU 16 HG2 GLU 16 19.719 3.763 -2.317 126 HG3 GLU 16 HG3 GLU 16 20.413 4.079 -0.717 127 H ALA 17 H ALA 17 16.934 5.871 -3.184 128 HA ALA 17 HA ALA 17 19.053 6.033 -5.076 129 HB1 ALA 17 HB1 ALA 17 16.105 6.781 -5.374 130 HB2 ALA 17 HB2 ALA 17 17.242 6.478 -6.700 131 HB3 ALA 17 HB3 ALA 17 16.799 5.159 -5.599 132 H ILE 18 H ILE 18 17.003 8.600 -3.612 133 HA ILE 18 HA ILE 18 18.148 10.831 -4.994 134 HB ILE 18 HB ILE 18 16.676 10.450 -2.386 135 HG12 ILE 18 HG12 ILE 18 16.057 12.087 -4.888 136 HG13 ILE 18 HG13 ILE 18 15.567 10.410 -4.667 137 HG21 ILE 18 HG21 ILE 18 18.215 12.230 -1.785 138 HG22 ILE 18 HG22 ILE 18 17.895 13.089 -3.306 139 HG23 ILE 18 HG23 ILE 18 16.634 12.938 -2.075 140 HD11 ILE 18 HD11 ILE 18 13.697 11.831 -4.168 141 HD12 ILE 18 HD12 ILE 18 14.235 11.069 -2.659 142 HD13 ILE 18 HD13 ILE 18 14.616 12.777 -2.998 143 H ASP 19 H ASP 19 19.137 9.335 -1.841 144 HA ASP 19 HA ASP 19 21.386 11.051 -1.528 145 HB2 ASP 19 HB2 ASP 19 20.144 9.266 0.083 146 HB3 ASP 19 HB3 ASP 19 21.506 8.276 -0.401 147 H ASN 20 H ASN 20 21.118 7.910 -3.241 148 HA ASN 20 HA ASN 20 23.901 7.626 -3.835 149 HB2 ASN 20 HB2 ASN 20 22.253 5.797 -4.036 150 HB3 ASN 20 HB3 ASN 20 21.428 6.660 -5.335 151 HD21 ASN 20 HD22 ASN 20 24.497 5.030 -4.455 152 HD22 ASN 20 HD21 ASN 20 24.975 4.739 -6.117 153 H ILE 21 H ILE 21 21.287 9.353 -5.640 154 HA ILE 21 HA ILE 21 23.003 10.281 -7.773 155 HB ILE 21 HB ILE 21 20.314 11.171 -6.678 156 HG12 ILE 21 HG12 ILE 21 21.102 10.120 -9.431 157 HG13 ILE 21 HG13 ILE 21 20.663 9.045 -8.102 158 HG21 ILE 21 HG21 ILE 21 20.209 12.731 -8.685 159 HG22 ILE 21 HG22 ILE 21 21.283 13.254 -7.413 160 HG23 ILE 21 HG23 ILE 21 21.964 12.493 -8.871 161 HD11 ILE 21 HD11 ILE 21 18.836 11.132 -9.355 162 HD12 ILE 21 HD12 ILE 21 18.724 9.372 -9.498 163 HD13 ILE 21 HD13 ILE 21 18.442 10.148 -7.925 164 H LEU 22 H LEU 22 22.047 11.730 -4.649 165 HA LEU 22 HA LEU 22 23.411 14.174 -4.856 166 HB2 LEU 22 HB2 LEU 22 21.717 13.339 -3.139 167 HB3 LEU 22 HB3 LEU 22 23.006 12.388 -2.419 168 HG LEU 22 HG LEU 22 24.242 14.553 -1.977 169 HD11 LEU 22 HD11 LEU 22 22.800 16.571 -1.888 170 HD12 LEU 22 HD12 LEU 22 23.003 16.026 -3.556 171 HD13 LEU 22 HD13 LEU 22 21.484 15.692 -2.694 172 HD21 LEU 22 HD21 LEU 22 21.503 14.136 -0.706 173 HD22 LEU 22 HD22 LEU 22 23.012 13.316 -0.240 174 HD23 LEU 22 HD23 LEU 22 22.858 15.060 -0.002 175 H ARG 23 H ARG 23 24.658 11.030 -3.620 176 HA ARG 23 HA ARG 23 27.341 11.973 -3.166 177 HB2 ARG 23 HB2 ARG 23 25.901 9.709 -2.451 178 HB3 ARG 23 HB3 ARG 23 26.914 9.060 -3.721 179 HG2 ARG 23 HG2 ARG 23 28.134 8.713 -1.737 180 HG3 ARG 23 HG3 ARG 23 28.910 10.119 -2.473 181 HD2 ARG 23 HD2 ARG 23 28.664 10.570 -0.118 182 HD3 ARG 23 HD3 ARG 23 27.516 11.596 -0.957 183 HE ARG 23 HE ARG 23 25.709 10.350 -0.087 184 HH11 ARG 23 HH12 ARG 23 28.687 8.771 0.923 185 HH12 ARG 23 HH11 ARG 23 27.851 7.790 2.094 186 HH21 ARG 23 HH21 ARG 23 24.736 9.099 1.366 187 HH22 ARG 23 HH22 ARG 23 25.655 7.980 2.355 188 H TYR 24 H TYR 24 25.921 10.112 -5.896 189 HA TYR 24 HA TYR 24 28.260 9.760 -7.412 190 HB2 TYR 24 HB2 TYR 24 26.267 8.549 -7.921 191 HB3 TYR 24 HB3 TYR 24 25.334 10.024 -8.123 192 HD1 TYR 24 HD2 TYR 24 28.415 8.441 -9.639 193 HD2 TYR 24 HD1 TYR 24 24.756 10.652 -10.277 194 HE1 TYR 24 HE2 TYR 24 28.831 8.440 -12.091 195 HE2 TYR 24 HE1 TYR 24 25.172 10.630 -12.722 196 HH TYR 24 HH TYR 24 28.060 9.088 -14.174 197 H THR 25 H THR 25 25.947 12.526 -7.554 198 HA THR 25 HA THR 25 27.581 13.872 -9.589 199 HB THR 25 HB THR 25 25.983 15.645 -9.506 200 HG1 THR 25 HG1 THR 25 24.548 14.234 -7.518 201 HG21 THR 25 HG21 THR 25 24.517 12.978 -9.439 202 HG22 THR 25 HG22 THR 25 23.918 14.496 -10.132 203 HG23 THR 25 HG23 THR 25 25.326 13.694 -10.849 204 H ASN 26 H ASN 26 27.900 13.647 -6.232 205 HA ASN 26 HA ASN 26 28.938 14.793 -4.623 206 HB2 ASN 26 HB2 ASN 26 30.860 14.380 -6.161 207 HB3 ASN 26 HB3 ASN 26 30.628 15.992 -6.849 208 HD21 ASN 26 HD22 ASN 26 32.982 16.081 -6.075 209 HD22 ASN 26 HD21 ASN 26 33.222 16.622 -4.421 210 H SER 27 H SER 27 26.663 15.724 -4.691 211 HA SER 27 HA SER 27 26.784 18.716 -4.896 212 HB2 SER 27 HB2 SER 27 24.445 16.904 -5.583 213 HB3 SER 27 HB3 SER 27 24.460 18.680 -5.658 214 HG SER 27 HG SER 27 25.526 16.824 -7.380 215 H THR 28 H THR 28 25.372 19.976 -3.641 216 HA THR 28 HA THR 28 24.721 18.833 -0.977 217 HB THR 28 HB THR 28 24.111 21.076 -0.342 218 HG1 THR 28 HG1 THR 28 24.390 22.735 -2.013 219 HG21 THR 28 HG21 THR 28 26.603 21.341 -2.068 220 HG22 THR 28 HG22 THR 28 26.171 22.286 -0.627 221 HG23 THR 28 HG23 THR 28 26.587 20.568 -0.464 222 H GLU 29 H GLU 29 22.503 19.063 -0.080 223 HA GLU 29 HA GLU 29 20.534 18.058 -1.930 224 HB2 GLU 29 HB2 GLU 29 20.322 19.097 0.927 225 HB3 GLU 29 HB3 GLU 29 18.980 18.407 0.013 226 HG2 GLU 29 HG2 GLU 29 20.447 16.363 -0.400 227 HG3 GLU 29 HG3 GLU 29 21.550 17.012 0.815 228 H GLN 30 H GLN 30 21.138 21.370 -0.724 229 HA GLN 30 HA GLN 30 18.847 22.476 -2.073 230 HB2 GLN 30 HB2 GLN 30 19.816 24.630 -1.687 231 HB3 GLN 30 HB3 GLN 30 19.907 23.635 -0.239 232 HG2 GLN 30 HG2 GLN 30 22.332 23.232 -0.681 233 HG3 GLN 30 HG3 GLN 30 22.231 24.230 -2.137 234 HE21 GLN 30 HE22 GLN 30 24.130 25.149 -0.565 235 HE22 GLN 30 HE21 GLN 30 23.585 26.505 0.410 236 H GLN 31 H GLN 31 22.198 21.821 -3.253 237 HA GLN 31 HA GLN 31 21.791 23.060 -5.832 238 HB2 GLN 31 HB2 GLN 31 23.606 20.836 -4.843 239 HB3 GLN 31 HB3 GLN 31 23.587 21.341 -6.535 240 HG2 GLN 31 HG2 GLN 31 24.332 23.551 -6.027 241 HG3 GLN 31 HG3 GLN 31 24.099 23.322 -4.298 242 HE21 GLN 31 HE22 GLN 31 26.516 24.172 -4.560 243 HE22 GLN 31 HE21 GLN 31 27.707 22.889 -4.643 244 H PHE 32 H PHE 32 21.141 19.685 -4.666 245 HA PHE 32 HA PHE 32 20.267 18.841 -7.292 246 HB2 PHE 32 HB2 PHE 32 21.162 17.303 -5.575 247 HB3 PHE 32 HB3 PHE 32 19.755 17.606 -4.571 248 HD1 PHE 32 HD2 PHE 32 19.095 17.207 -8.225 249 HD2 PHE 32 HD1 PHE 32 19.592 15.120 -4.473 250 HE1 PHE 32 HE2 PHE 32 17.973 15.236 -9.173 251 HE2 PHE 32 HE1 PHE 32 18.509 13.125 -5.475 252 HZ PHE 32 HZ PHE 32 17.650 13.194 -7.798 253 H LEU 33 H LEU 33 18.441 20.001 -4.407 254 HA LEU 33 HA LEU 33 15.862 19.789 -5.583 255 HB2 LEU 33 HB2 LEU 33 16.357 20.135 -3.210 256 HB3 LEU 33 HB3 LEU 33 16.950 21.753 -3.525 257 HG LEU 33 HG LEU 33 14.686 21.553 -2.479 258 HD11 LEU 33 HD11 LEU 33 14.560 23.025 -5.132 259 HD12 LEU 33 HD12 LEU 33 13.631 23.344 -3.664 260 HD13 LEU 33 HD13 LEU 33 15.378 23.621 -3.670 261 HD21 LEU 33 HD21 LEU 33 12.732 21.008 -3.807 262 HD22 LEU 33 HD22 LEU 33 13.726 20.660 -5.227 263 HD23 LEU 33 HD23 LEU 33 13.834 19.623 -3.777 264 H GLU 34 H GLU 34 18.162 22.552 -5.682 265 HA GLU 34 HA GLU 34 16.553 24.213 -7.330 266 HB2 GLU 34 HB2 GLU 34 18.498 24.978 -6.021 267 HB3 GLU 34 HB3 GLU 34 19.585 24.100 -7.110 268 HG2 GLU 34 HG2 GLU 34 18.868 25.527 -8.993 269 HG3 GLU 34 HG3 GLU 34 17.693 26.336 -7.952 270 H ALA 35 H ALA 35 19.018 21.793 -8.306 271 HA ALA 35 HA ALA 35 18.769 22.232 -11.122 272 HB1 ALA 35 HB1 ALA 35 20.639 21.024 -10.060 273 HB2 ALA 35 HB2 ALA 35 19.547 19.705 -9.585 274 HB3 ALA 35 HB3 ALA 35 19.865 20.024 -11.305 275 H MET 36 H MET 36 16.859 20.125 -8.906 276 HA MET 36 HA MET 36 15.272 18.978 -11.062 277 HB2 MET 36 HB2 MET 36 15.113 19.021 -8.036 278 HB3 MET 36 HB3 MET 36 13.811 18.338 -9.003 279 HG2 MET 36 HG2 MET 36 16.698 17.507 -9.385 280 HG3 MET 36 HG3 MET 36 15.646 16.716 -8.233 281 HE1 MET 36 HE1 MET 36 12.914 16.221 -9.278 282 HE2 MET 36 HE2 MET 36 13.094 14.737 -10.241 283 HE3 MET 36 HE3 MET 36 13.968 14.921 -8.702 284 H GLU 37 H GLU 37 14.704 21.791 -8.852 285 HA GLU 37 HA GLU 37 12.110 22.410 -9.963 286 HB2 GLU 37 HB2 GLU 37 14.228 24.169 -8.652 287 HB3 GLU 37 HB3 GLU 37 12.625 24.732 -9.096 288 HG2 GLU 37 HG2 GLU 37 13.247 22.553 -7.076 289 HG3 GLU 37 HG3 GLU 37 12.764 24.200 -6.715 290 H SER 38 H SER 38 15.413 23.447 -10.911 291 HA SER 38 HA SER 38 14.615 25.222 -13.001 292 HB2 SER 38 HB2 SER 38 16.826 25.132 -11.843 293 HB3 SER 38 HB3 SER 38 17.197 23.634 -12.725 294 HG SER 38 HG SER 38 18.033 25.588 -13.726 295 H THR 39 H THR 39 14.731 21.724 -12.962 296 HA THR 39 HA THR 39 14.522 21.603 -15.952 297 HB THR 39 HB THR 39 15.214 19.251 -15.752 298 HG1 THR 39 HG1 THR 39 15.989 19.813 -13.120 299 HG21 THR 39 HG21 THR 39 16.941 20.909 -16.211 300 HG22 THR 39 HG22 THR 39 17.150 21.240 -14.486 301 HG23 THR 39 HG23 THR 39 17.573 19.648 -15.126 302 H GLY 40 H GLY 40 12.436 21.645 -13.373 303 HA2 GLY 40 HA2 GLY 40 10.214 21.102 -13.220 304 HA3 GLY 40 HA3 GLY 40 10.245 20.580 -14.912 305 H GLY 41 H GLY 41 12.303 19.181 -12.364 306 HA2 GLY 41 HA2 GLY 41 12.231 17.146 -11.285 307 HA3 GLY 41 HA3 GLY 41 10.622 16.824 -11.933 308 H ARG 42 H ARG 42 13.074 17.553 -14.337 309 HA ARG 42 HA ARG 42 13.001 14.738 -15.306 310 HB2 ARG 42 HB2 ARG 42 14.000 17.389 -16.395 311 HB3 ARG 42 HB3 ARG 42 14.622 15.896 -17.078 312 HG2 ARG 42 HG2 ARG 42 11.646 16.442 -16.892 313 HG3 ARG 42 HG3 ARG 42 12.636 16.941 -18.266 314 HD2 ARG 42 HD2 ARG 42 13.348 14.550 -18.619 315 HD3 ARG 42 HD3 ARG 42 12.314 14.068 -17.288 316 HE ARG 42 HE ARG 42 10.401 14.372 -18.540 317 HH11 ARG 42 HH21 ARG 42 13.062 15.570 -20.502 318 HH12 ARG 42 HH22 ARG 42 12.064 15.667 -21.931 319 HH21 ARG 42 HH12 ARG 42 9.217 14.511 -20.394 320 HH22 ARG 42 HH11 ARG 42 9.952 15.069 -21.868 321 H VAL 43 H VAL 43 14.049 13.589 -13.720 322 HA VAL 43 HA VAL 43 16.370 14.304 -12.338 323 HB VAL 43 HB VAL 43 15.595 11.474 -13.146 324 HG11 VAL 43 HG11 VAL 43 17.871 11.528 -12.190 325 HG12 VAL 43 HG12 VAL 43 17.300 12.515 -10.822 326 HG13 VAL 43 HG13 VAL 43 16.744 10.841 -11.021 327 HG21 VAL 43 HG21 VAL 43 13.731 12.666 -11.973 328 HG22 VAL 43 HG22 VAL 43 14.434 11.383 -10.985 329 HG23 VAL 43 HG23 VAL 43 14.858 13.072 -10.653 330 H ARG 44 H ARG 44 16.287 12.729 -15.596 331 HA ARG 44 HA ARG 44 19.111 12.322 -15.760 332 HB2 ARG 44 HB2 ARG 44 18.772 11.929 -18.089 333 HB3 ARG 44 HB3 ARG 44 17.490 11.170 -17.164 334 HG2 ARG 44 HG2 ARG 44 15.951 13.102 -17.810 335 HG3 ARG 44 HG3 ARG 44 17.261 13.711 -18.836 336 HD2 ARG 44 HD2 ARG 44 15.934 10.981 -19.116 337 HD3 ARG 44 HD3 ARG 44 15.572 12.401 -20.084 338 HE ARG 44 HE ARG 44 17.795 12.368 -21.042 339 HH11 ARG 44 HH21 ARG 44 16.963 9.357 -19.423 340 HH12 ARG 44 HH22 ARG 44 18.161 8.461 -20.312 341 HH21 ARG 44 HH11 ARG 44 19.298 11.156 -22.111 342 HH22 ARG 44 HH12 ARG 44 19.456 9.460 -21.772 343 H ILE 45 H ILE 45 17.177 15.190 -16.591 344 HA ILE 45 HA ILE 45 19.498 16.615 -17.698 345 HB ILE 45 HB ILE 45 16.787 17.774 -16.948 346 HG12 ILE 45 HG12 ILE 45 17.720 16.628 -19.627 347 HG13 ILE 45 HG13 ILE 45 16.485 15.935 -18.584 348 HG21 ILE 45 HG21 ILE 45 18.709 19.402 -17.291 349 HG22 ILE 45 HG22 ILE 45 18.920 18.747 -18.917 350 HG23 ILE 45 HG23 ILE 45 17.426 19.596 -18.469 351 HD11 ILE 45 HD11 ILE 45 15.369 17.051 -20.362 352 HD12 ILE 45 HD12 ILE 45 15.094 18.004 -18.892 353 HD13 ILE 45 HD13 ILE 45 16.267 18.547 -20.114 354 H ALA 46 H ALA 46 17.724 16.498 -14.586 355 HA ALA 46 HA ALA 46 19.162 18.587 -13.305 356 HB1 ALA 46 HB1 ALA 46 18.330 17.577 -11.229 357 HB2 ALA 46 HB2 ALA 46 17.050 17.569 -12.467 358 HB3 ALA 46 HB3 ALA 46 17.922 16.074 -12.079 359 H ILE 47 H ILE 47 19.891 15.004 -13.334 360 HA ILE 47 HA ILE 47 22.366 15.425 -11.907 361 HB ILE 47 HB ILE 47 22.957 13.178 -12.353 362 HG12 ILE 47 HG12 ILE 47 20.654 13.039 -14.318 363 HG13 ILE 47 HG13 ILE 47 22.364 12.931 -14.707 364 HG21 ILE 47 HG21 ILE 47 19.968 13.249 -11.793 365 HG22 ILE 47 HG22 ILE 47 21.176 12.119 -11.165 366 HG23 ILE 47 HG23 ILE 47 21.203 13.814 -10.655 367 HD11 ILE 47 HD11 ILE 47 21.452 10.711 -14.742 368 HD12 ILE 47 HD12 ILE 47 22.503 10.834 -13.314 369 HD13 ILE 47 HD13 ILE 47 20.726 10.902 -13.138 370 H ALA 48 H ALA 48 21.657 15.354 -15.464 371 HA ALA 48 HA ALA 48 24.321 15.665 -16.322 372 HB1 ALA 48 HB1 ALA 48 23.274 16.753 -18.294 373 HB2 ALA 48 HB2 ALA 48 22.413 15.282 -17.810 374 HB3 ALA 48 HB3 ALA 48 21.741 16.872 -17.409 375 H LYS 49 H LYS 49 22.033 18.283 -15.248 376 HA LYS 49 HA LYS 49 23.976 20.407 -15.533 377 HB2 LYS 49 HB2 LYS 49 21.378 20.150 -13.960 378 HB3 LYS 49 HB3 LYS 49 22.317 21.630 -13.977 379 HG2 LYS 49 HG2 LYS 49 21.078 20.275 -16.415 380 HG3 LYS 49 HG3 LYS 49 20.441 21.677 -15.575 381 HD2 LYS 49 HD2 LYS 49 23.028 21.536 -17.181 382 HD3 LYS 49 HD3 LYS 49 21.527 22.327 -17.648 383 HE2 LYS 49 HE2 LYS 49 21.745 23.892 -15.710 384 HE3 LYS 49 HE3 LYS 49 23.286 23.145 -15.283 385 HZ1 LYS 49 HZ1 LYS 49 24.160 23.850 -17.472 386 HZ2 LYS 49 HZ2 LYS 49 22.732 24.551 -17.861 387 HZ3 LYS 49 HZ3 LYS 49 23.625 25.139 -16.629 388 H LEU 50 H LEU 50 23.280 18.255 -12.779 389 HA LEU 50 HA LEU 50 25.107 19.657 -10.997 390 HB2 LEU 50 HB2 LEU 50 24.049 16.810 -10.953 391 HB3 LEU 50 HB3 LEU 50 24.992 17.559 -9.670 392 HG LEU 50 HG LEU 50 22.242 18.515 -10.527 393 HD11 LEU 50 HD11 LEU 50 22.261 16.260 -9.456 394 HD12 LEU 50 HD12 LEU 50 23.139 16.947 -8.070 395 HD13 LEU 50 HD13 LEU 50 21.493 17.480 -8.446 396 HD21 LEU 50 HD21 LEU 50 22.311 19.790 -8.414 397 HD22 LEU 50 HD22 LEU 50 24.009 19.338 -8.196 398 HD23 LEU 50 HD23 LEU 50 23.519 20.360 -9.564 399 H LEU 51 H LEU 51 25.608 17.126 -13.465 400 HA LEU 51 HA LEU 51 28.409 16.740 -12.703 401 HB2 LEU 51 HB2 LEU 51 26.736 15.896 -15.092 402 HB3 LEU 51 HB3 LEU 51 28.437 15.475 -14.916 403 HG LEU 51 HG LEU 51 26.323 14.700 -12.853 404 HD11 LEU 51 HD11 LEU 51 25.795 13.667 -15.020 405 HD12 LEU 51 HD12 LEU 51 27.465 13.071 -15.156 406 HD13 LEU 51 HD13 LEU 51 26.400 12.463 -13.872 407 HD21 LEU 51 HD21 LEU 51 27.999 13.026 -12.158 408 HD22 LEU 51 HD22 LEU 51 29.151 13.693 -13.333 409 HD23 LEU 51 HD23 LEU 51 28.608 14.672 -11.954 410 H SER 52 H SER 52 26.743 18.743 -15.192 411 HA SER 52 HA SER 52 29.292 19.852 -16.133 412 HB2 SER 52 HB2 SER 52 27.990 21.109 -17.698 413 HB3 SER 52 HB3 SER 52 27.457 19.420 -17.682 414 HG SER 52 HG SER 52 25.681 20.872 -17.676 415 H LYS 53 H LYS 53 28.142 20.283 -13.308 416 HA LYS 53 HA LYS 53 27.531 22.986 -12.802 417 HB2 LYS 53 HB2 LYS 53 27.102 20.986 -11.428 418 HB3 LYS 53 HB3 LYS 53 28.829 20.872 -11.043 419 HG2 LYS 53 HG2 LYS 53 28.680 22.945 -9.741 420 HG3 LYS 53 HG3 LYS 53 27.016 23.209 -10.294 421 HD2 LYS 53 HD2 LYS 53 27.016 22.305 -8.025 422 HD3 LYS 53 HD3 LYS 53 26.284 21.148 -9.144 423 HE2 LYS 53 HE2 LYS 53 28.485 19.897 -9.217 424 HE3 LYS 53 HE3 LYS 53 29.138 21.056 -8.052 425 HZ1 LYS 53 HZ1 LYS 53 26.910 19.125 -7.560 426 HZ2 LYS 53 HZ2 LYS 53 28.381 19.117 -6.865 427 HZ3 LYS 53 HZ3 LYS 53 27.318 20.319 -6.507 428 H GLN 54 H GLN 54 30.660 21.629 -13.432 429 HA GLN 54 HA GLN 54 32.732 22.473 -13.593 430 HB2 GLN 54 HB2 GLN 54 31.249 23.954 -15.075 431 HB3 GLN 54 HB3 GLN 54 31.498 25.223 -13.873 432 HG2 GLN 54 HG2 GLN 54 33.977 25.031 -14.253 433 HG3 GLN 54 HG3 GLN 54 33.679 23.729 -15.404 434 HE21 GLN 54 HE22 GLN 54 34.942 25.198 -16.883 435 HE22 GLN 54 HE21 GLN 54 34.021 26.457 -17.732 436 H THR 55 H THR 55 32.187 21.925 -11.038 437 HA THR 55 HA THR 55 33.513 24.055 -9.410 438 HB THR 55 HB THR 55 32.425 22.811 -7.459 439 HG1 THR 55 HG1 THR 55 31.837 20.892 -8.460 440 HG21 THR 55 HG21 THR 55 30.675 24.112 -9.568 441 HG22 THR 55 HG22 THR 55 30.204 23.813 -7.877 442 HG23 THR 55 HG23 THR 55 31.540 24.921 -8.251 443 H SER 56 H SER 56 34.782 21.800 -11.091 444 HA SER 56 HA SER 56 36.717 20.916 -9.017 445 HB2 SER 56 HB2 SER 56 34.927 19.152 -9.328 446 HB3 SER 56 HB3 SER 56 35.488 18.968 -11.001 447 HG SER 56 HG SER 56 36.490 17.474 -9.517 448 H GLY 57 H GLY 57 38.657 19.902 -9.992 449 HA2 GLY 57 HA2 GLY 57 40.485 19.903 -11.348 450 HA3 GLY 57 HA3 GLY 57 39.370 20.050 -12.709 451 H GLY 58 H GLY 58 39.306 22.707 -10.471 452 HA2 GLY 58 HA2 GLY 58 39.953 24.911 -10.643 453 HA3 GLY 58 HA3 GLY 58 41.308 24.405 -11.652 454 H SER 59 H SER 59 38.162 23.474 -12.824 455 HA SER 59 HA SER 59 38.523 24.995 -15.248 456 HB2 SER 59 HB2 SER 59 37.537 22.731 -15.142 457 HB3 SER 59 HB3 SER 59 36.106 23.401 -14.332 458 HG SER 59 HG SER 59 36.213 23.145 -16.807 459 H GLY 60 H GLY 60 37.245 26.601 -16.162 460 HA2 GLY 60 HA2 GLY 60 35.017 27.884 -14.886 461 HA3 GLY 60 HA3 GLY 60 36.484 28.833 -14.635 462 H GLY 61 H GLY 61 34.118 29.581 -16.127 463 HA2 GLY 61 HA2 GLY 61 33.627 30.796 -18.032 464 HA3 GLY 61 HA3 GLY 61 35.266 30.551 -18.616 465 H SER 62 H SER 62 33.493 30.550 -20.513 466 HA SER 62 HA SER 62 33.392 27.793 -21.536 467 HB2 SER 62 HB2 SER 62 31.233 28.157 -20.278 468 HB3 SER 62 HB3 SER 62 30.847 29.460 -21.414 469 HG SER 62 HG SER 62 29.956 27.386 -22.016 470 H LYS 63 H LYS 63 32.889 27.698 -23.813 471 HA LYS 63 HA LYS 63 32.937 30.144 -25.424 472 HB2 LYS 63 HB2 LYS 63 34.954 29.483 -26.733 473 HB3 LYS 63 HB3 LYS 63 35.260 29.980 -25.089 474 HG2 LYS 63 HG2 LYS 63 36.727 28.236 -25.477 475 HG3 LYS 63 HG3 LYS 63 35.497 27.541 -24.432 476 HD2 LYS 63 HD2 LYS 63 34.458 26.423 -26.377 477 HD3 LYS 63 HD3 LYS 63 35.624 27.177 -27.470 478 HE2 LYS 63 HE2 LYS 63 36.335 25.286 -25.175 479 HE3 LYS 63 HE3 LYS 63 36.065 24.763 -26.839 480 HZ1 LYS 63 HZ1 LYS 63 38.420 25.078 -26.432 481 HZ2 LYS 63 HZ2 LYS 63 37.938 26.180 -27.529 482 HZ3 LYS 63 HZ3 LYS 63 38.223 26.629 -25.979 483 H LEU 64 H LEU 64 32.786 29.710 -27.767 484 HA LEU 64 HA LEU 64 30.631 27.807 -28.238 485 HB2 LEU 64 HB2 LEU 64 32.145 29.633 -30.149 486 HB3 LEU 64 HB3 LEU 64 30.693 28.726 -30.552 487 HG LEU 64 HG LEU 64 30.859 30.961 -28.481 488 HD11 LEU 64 HD11 LEU 64 29.512 32.234 -30.088 489 HD12 LEU 64 HD12 LEU 64 31.048 31.740 -30.817 490 HD13 LEU 64 HD13 LEU 64 29.554 30.874 -31.233 491 HD21 LEU 64 HD21 LEU 64 28.458 29.365 -29.482 492 HD22 LEU 64 HD22 LEU 64 29.106 29.382 -27.822 493 HD23 LEU 64 HD23 LEU 64 28.372 30.838 -28.491 494 H GLY 65 H GLY 65 30.551 26.103 -29.730 495 HA2 GLY 65 HA2 GLY 65 32.658 25.026 -31.265 496 HA3 GLY 65 HA3 GLY 65 32.768 24.298 -29.659 497 H GLY 66 H GLY 66 32.423 22.360 -31.082 498 HA2 GLY 66 HA2 GLY 66 31.092 20.488 -31.424 499 HA3 GLY 66 HA3 GLY 66 29.706 21.368 -30.795 500 H SER 67 H SER 67 28.663 20.078 -32.529 501 HA SER 67 HA SER 67 28.435 21.587 -35.068 502 HB2 SER 67 HB2 SER 67 28.601 19.525 -36.406 503 HB3 SER 67 HB3 SER 67 30.109 19.903 -35.567 504 HG SER 67 HG SER 67 29.548 17.669 -35.393 505 H GLY 68 H GLY 68 26.576 20.936 -36.373 506 HA2 GLY 68 HA2 GLY 68 24.160 20.619 -34.758 507 HA3 GLY 68 HA3 GLY 68 24.266 20.938 -36.482 508 H GLY 69 H GLY 69 22.379 19.443 -36.357 509 HA2 GLY 69 HA2 GLY 69 21.585 17.516 -37.374 510 HA3 GLY 69 HA3 GLY 69 23.187 16.794 -37.305 511 H SER 70 H SER 70 22.339 17.841 -34.187 512 HA SER 70 HA SER 70 22.330 15.276 -33.076 513 HB2 SER 70 HB2 SER 70 21.162 17.799 -31.848 514 HB3 SER 70 HB3 SER 70 21.761 16.372 -30.978 515 HG SER 70 HG SER 70 23.339 18.049 -31.059 516 H ARG 71 H ARG 71 19.594 16.873 -34.472 517 HA ARG 71 HA ARG 71 17.544 15.376 -32.973 518 HB2 ARG 71 HB2 ARG 71 17.347 17.291 -35.335 519 HB3 ARG 71 HB3 ARG 71 15.972 16.581 -34.487 520 HG2 ARG 71 HG2 ARG 71 16.713 17.660 -32.360 521 HG3 ARG 71 HG3 ARG 71 18.063 18.406 -33.223 522 HD2 ARG 71 HD2 ARG 71 16.339 20.047 -33.025 523 HD3 ARG 71 HD3 ARG 71 16.441 19.560 -34.727 524 HE ARG 71 HE ARG 71 14.461 17.997 -33.307 525 HH11 ARG 71 HH11 ARG 71 14.846 21.205 -34.667 526 HH12 ARG 71 HH12 ARG 71 13.133 21.411 -34.910 527 HH21 ARG 71 HH21 ARG 71 12.288 18.314 -33.659 528 HH22 ARG 71 HH22 ARG 71 11.724 19.808 -34.344 529 H LYS 72 H LYS 72 19.567 14.323 -35.343 530 HA LYS 72 HA LYS 72 17.846 12.995 -37.184 531 HB2 LYS 72 HB2 LYS 72 19.785 11.799 -37.913 532 HB3 LYS 72 HB3 LYS 72 20.250 13.457 -37.551 533 HG2 LYS 72 HG2 LYS 72 21.131 12.644 -35.306 534 HG3 LYS 72 HG3 LYS 72 20.765 10.989 -35.821 535 HD2 LYS 72 HD2 LYS 72 22.274 11.262 -37.778 536 HD3 LYS 72 HD3 LYS 72 22.640 12.922 -37.260 537 HE2 LYS 72 HE2 LYS 72 23.547 12.043 -35.111 538 HE3 LYS 72 HE3 LYS 72 23.191 10.392 -35.639 539 HZ1 LYS 72 HZ1 LYS 72 25.092 12.242 -37.000 540 HZ2 LYS 72 HZ2 LYS 72 25.517 10.970 -36.069 541 HZ3 LYS 72 HZ3 LYS 72 24.761 10.716 -37.492 542 H ASP 73 H ASP 73 17.551 10.707 -37.516 543 HA ASP 73 HA ASP 73 16.333 9.399 -35.262 544 HB2 ASP 73 HB2 ASP 73 15.535 9.177 -37.580 545 HB3 ASP 73 HB3 ASP 73 17.037 8.367 -38.035 546 H LEU 74 H LEU 74 17.012 7.763 -33.951 547 HA LEU 74 HA LEU 74 19.686 6.510 -34.312 548 HB2 LEU 74 HB2 LEU 74 18.710 8.019 -31.850 549 HB3 LEU 74 HB3 LEU 74 20.104 6.947 -31.844 550 HG LEU 74 HG LEU 74 19.914 9.477 -33.539 551 HD11 LEU 74 HD11 LEU 74 21.383 8.948 -30.923 552 HD12 LEU 74 HD12 LEU 74 21.467 10.434 -31.898 553 HD13 LEU 74 HD13 LEU 74 19.943 9.971 -31.125 554 HD21 LEU 74 HD21 LEU 74 22.260 7.627 -32.894 555 HD22 LEU 74 HD22 LEU 74 21.500 7.838 -34.488 556 HD23 LEU 74 HD23 LEU 74 22.375 9.182 -33.746 557 H SER 75 H SER 75 19.926 4.499 -33.402 558 HA SER 75 HA SER 75 17.593 2.901 -33.116 559 HB2 SER 75 HB2 SER 75 20.457 2.199 -32.376 560 HB3 SER 75 HB3 SER 75 19.141 1.064 -32.739 561 HG SER 75 HG SER 75 20.505 1.419 -34.566 562 H VAL 76 H VAL 76 19.097 4.777 -30.699 563 HA VAL 76 HA VAL 76 18.643 3.096 -28.405 564 HB VAL 76 HB VAL 76 20.300 4.970 -28.643 565 HG11 VAL 76 HG11 VAL 76 17.963 6.800 -27.952 566 HG12 VAL 76 HG12 VAL 76 19.671 7.248 -28.116 567 HG13 VAL 76 HG13 VAL 76 18.760 6.723 -29.538 568 HG21 VAL 76 HG21 VAL 76 19.814 3.911 -26.464 569 HG22 VAL 76 HG22 VAL 76 20.311 5.604 -26.335 570 HG23 VAL 76 HG23 VAL 76 18.603 5.173 -26.136 571 H LYS 77 H LYS 77 16.411 4.871 -30.288 572 HA LYS 77 HA LYS 77 14.558 5.778 -28.341 573 HB2 LYS 77 HB2 LYS 77 13.017 6.061 -30.174 574 HB3 LYS 77 HB3 LYS 77 14.636 6.526 -30.693 575 HG2 LYS 77 HG2 LYS 77 14.863 4.234 -31.782 576 HG3 LYS 77 HG3 LYS 77 13.165 3.937 -31.368 577 HD2 LYS 77 HD2 LYS 77 12.478 5.900 -32.702 578 HD3 LYS 77 HD3 LYS 77 14.182 6.237 -33.095 579 HE2 LYS 77 HE2 LYS 77 14.364 3.991 -34.164 580 HE3 LYS 77 HE3 LYS 77 12.654 3.690 -33.818 581 HZ1 LYS 77 HZ1 LYS 77 13.691 5.903 -35.526 582 HZ2 LYS 77 HZ2 LYS 77 13.007 4.525 -36.092 583 HZ3 LYS 77 HZ3 LYS 77 12.101 5.592 -35.247 584 H GLY 78 H GLY 78 12.491 5.057 -27.735 585 HA2 GLY 78 HA2 GLY 78 11.258 2.583 -28.195 586 HA3 GLY 78 HA3 GLY 78 12.360 2.330 -26.837 587 H MET 79 H MET 79 10.129 1.818 -25.908 588 HA MET 79 HA MET 79 8.410 4.039 -25.116 589 HB2 MET 79 HB2 MET 79 8.586 1.159 -24.138 590 HB3 MET 79 HB3 MET 79 7.366 2.330 -23.619 591 HG2 MET 79 HG2 MET 79 6.605 2.596 -25.958 592 HG3 MET 79 HG3 MET 79 7.792 1.394 -26.484 593 HE1 MET 79 HE1 MET 79 4.699 1.265 -27.203 594 HE2 MET 79 HE2 MET 79 5.889 0.052 -27.733 595 HE3 MET 79 HE3 MET 79 4.375 -0.465 -26.958 596 H LEU 80 H LEU 80 8.153 4.942 -23.064 597 HA LEU 80 HA LEU 80 10.362 4.643 -21.081 598 HB2 LEU 80 HB2 LEU 80 9.315 7.228 -22.309 599 HB3 LEU 80 HB3 LEU 80 10.359 7.166 -20.898 600 HG LEU 80 HG LEU 80 11.151 6.146 -23.664 601 HD11 LEU 80 HD11 LEU 80 11.907 8.707 -22.197 602 HD12 LEU 80 HD12 LEU 80 12.559 8.159 -23.756 603 HD13 LEU 80 HD13 LEU 80 10.849 8.588 -23.621 604 HD21 LEU 80 HD21 LEU 80 12.785 6.576 -21.117 605 HD22 LEU 80 HD22 LEU 80 12.425 5.011 -21.881 606 HD23 LEU 80 HD23 LEU 80 13.451 6.175 -22.717 607 H TYR 81 H TYR 81 9.897 5.536 -18.994 608 HA TYR 81 HA TYR 81 7.204 4.982 -18.050 609 HB2 TYR 81 HB2 TYR 81 9.614 6.130 -16.598 610 HB3 TYR 81 HB3 TYR 81 8.148 5.530 -15.843 611 HD1 TYR 81 HD1 TYR 81 7.476 3.044 -16.318 612 HD2 TYR 81 HD2 TYR 81 11.441 4.640 -16.935 613 HE1 TYR 81 HE1 TYR 81 8.416 0.741 -16.232 614 HE2 TYR 81 HE2 TYR 81 12.375 2.332 -16.855 615 HH TYR 81 HH TYR 81 10.315 -0.562 -16.359 616 H ASP 82 H ASP 82 6.046 6.482 -16.573 617 HA ASP 82 HA ASP 82 6.284 9.365 -17.215 618 HB2 ASP 82 HB2 ASP 82 4.638 8.309 -18.790 619 HB3 ASP 82 HB3 ASP 82 3.674 7.813 -17.397 620 H SER 83 H SER 83 5.019 10.706 -15.750 621 HA SER 83 HA SER 83 4.750 11.594 -13.710 622 HB2 SER 83 HB2 SER 83 3.527 8.927 -12.970 623 HB3 SER 83 HB3 SER 83 3.328 10.456 -12.098 624 HG SER 83 HG SER 83 1.583 10.039 -13.565 625 H ASP 84 H ASP 84 6.905 8.927 -13.751 626 HA ASP 84 HA ASP 84 7.733 8.826 -11.058 627 HB2 ASP 84 HB2 ASP 84 9.687 7.735 -11.851 628 HB3 ASP 84 HB3 ASP 84 8.342 7.212 -12.856 629 H SER 85 H SER 85 8.617 11.152 -13.594 630 HA SER 85 HA SER 85 10.683 12.620 -12.317 631 HB2 SER 85 HB2 SER 85 9.732 14.510 -13.741 632 HB3 SER 85 HB3 SER 85 10.150 13.023 -14.612 633 HG SER 85 HG SER 85 8.059 13.831 -15.215 634 H GLN 86 H GLN 86 7.123 12.986 -12.097 635 HA GLN 86 HA GLN 86 7.232 15.163 -10.171 636 HB2 GLN 86 HB2 GLN 86 4.947 13.301 -10.953 637 HB3 GLN 86 HB3 GLN 86 4.802 14.739 -9.943 638 HG2 GLN 86 HG2 GLN 86 5.628 16.150 -11.823 639 HG3 GLN 86 HG3 GLN 86 5.735 14.719 -12.849 640 HE21 GLN 86 HE22 GLN 86 3.386 16.778 -11.021 641 HE22 GLN 86 HE21 GLN 86 2.014 16.299 -12.005 642 H GLN 87 H GLN 87 6.991 11.594 -9.877 643 HA GLN 87 HA GLN 87 6.467 11.568 -7.068 644 HB2 GLN 87 HB2 GLN 87 6.185 9.740 -8.824 645 HB3 GLN 87 HB3 GLN 87 7.903 9.404 -8.663 646 HG2 GLN 87 HG2 GLN 87 5.863 9.316 -6.377 647 HG3 GLN 87 HG3 GLN 87 6.327 7.922 -7.353 648 HE21 GLN 87 HE22 GLN 87 8.860 7.507 -7.414 649 HE22 GLN 87 HE21 GLN 87 9.622 7.670 -5.841 650 H ILE 88 H ILE 88 9.637 11.291 -8.836 651 HA ILE 88 HA ILE 88 11.228 11.323 -6.424 652 HB ILE 88 HB ILE 88 12.010 12.219 -9.226 653 HG12 ILE 88 HG12 ILE 88 11.343 9.891 -9.349 654 HG13 ILE 88 HG13 ILE 88 13.078 10.022 -9.490 655 HG21 ILE 88 HG21 ILE 88 13.580 13.092 -7.549 656 HG22 ILE 88 HG22 ILE 88 13.724 11.500 -6.799 657 HG23 ILE 88 HG23 ILE 88 14.349 11.771 -8.436 658 HD11 ILE 88 HD11 ILE 88 11.548 9.140 -7.011 659 HD12 ILE 88 HD12 ILE 88 12.432 8.094 -8.132 660 HD13 ILE 88 HD13 ILE 88 13.325 9.246 -7.135 661 H LEU 89 H LEU 89 10.146 14.015 -8.600 662 HA LEU 89 HA LEU 89 11.439 16.063 -7.148 663 HB2 LEU 89 HB2 LEU 89 10.378 16.321 -9.385 664 HB3 LEU 89 HB3 LEU 89 8.785 16.102 -8.665 665 HG LEU 89 HG LEU 89 9.125 18.238 -7.365 666 HD11 LEU 89 HD11 LEU 89 11.555 18.546 -9.186 667 HD12 LEU 89 HD12 LEU 89 10.899 19.780 -8.102 668 HD13 LEU 89 HD13 LEU 89 11.618 18.324 -7.415 669 HD21 LEU 89 HD21 LEU 89 8.803 19.713 -9.319 670 HD22 LEU 89 HD22 LEU 89 9.369 18.417 -10.396 671 HD23 LEU 89 HD23 LEU 89 7.867 18.215 -9.474 672 H ASN 90 H ASN 90 8.128 14.705 -6.580 673 HA ASN 90 HA ASN 90 7.502 16.324 -4.327 674 HB2 ASN 90 HB2 ASN 90 5.855 14.991 -5.569 675 HB3 ASN 90 HB3 ASN 90 6.640 13.490 -5.083 676 HD21 ASN 90 HD22 ASN 90 4.775 16.300 -3.825 677 HD22 ASN 90 HD21 ASN 90 4.243 15.440 -2.390 678 H ARG 91 H ARG 91 9.196 13.086 -4.406 679 HA ARG 91 HA ARG 91 9.485 13.024 -1.541 680 HB2 ARG 91 HB2 ARG 91 9.760 11.122 -3.398 681 HB3 ARG 91 HB3 ARG 91 11.430 11.637 -3.414 682 HG2 ARG 91 HG2 ARG 91 11.187 9.765 -1.881 683 HG3 ARG 91 HG3 ARG 91 11.591 11.195 -0.944 684 HD2 ARG 91 HD2 ARG 91 9.825 9.674 0.054 685 HD3 ARG 91 HD3 ARG 91 9.351 11.359 -0.082 686 HE ARG 91 HE ARG 91 8.489 9.140 -1.948 687 HH11 ARG 91 HH11 ARG 91 7.408 11.942 -0.156 688 HH12 ARG 91 HH12 ARG 91 6.245 12.388 -1.401 689 HH21 ARG 91 HH21 ARG 91 7.005 9.808 -3.493 690 HH22 ARG 91 HH22 ARG 91 5.850 11.052 -3.048 691 H LEU 92 H LEU 92 11.621 14.363 -4.074 692 HA LEU 92 HA LEU 92 13.699 15.084 -2.214 693 HB2 LEU 92 HB2 LEU 92 13.888 14.818 -4.738 694 HB3 LEU 92 HB3 LEU 92 13.021 16.344 -4.906 695 HG LEU 92 HG LEU 92 14.888 17.476 -3.608 696 HD11 LEU 92 HD11 LEU 92 15.841 15.502 -2.418 697 HD12 LEU 92 HD12 LEU 92 16.280 14.788 -3.990 698 HD13 LEU 92 HD13 LEU 92 17.053 16.290 -3.434 699 HD21 LEU 92 HD21 LEU 92 14.822 17.471 -6.074 700 HD22 LEU 92 HD22 LEU 92 16.495 17.387 -5.487 701 HD23 LEU 92 HD23 LEU 92 15.703 15.921 -6.101 702 H ARG 93 H ARG 93 10.797 16.903 -3.375 703 HA ARG 93 HA ARG 93 11.392 19.369 -1.984 704 HB2 ARG 93 HB2 ARG 93 8.801 18.027 -2.876 705 HB3 ARG 93 HB3 ARG 93 8.811 19.559 -2.000 706 HG2 ARG 93 HG2 ARG 93 10.085 20.664 -3.730 707 HG3 ARG 93 HG3 ARG 93 10.308 19.153 -4.628 708 HD2 ARG 93 HD2 ARG 93 7.896 18.978 -5.018 709 HD3 ARG 93 HD3 ARG 93 7.600 20.414 -4.011 710 HE ARG 93 HE ARG 93 9.432 21.172 -6.037 711 HH11 ARG 93 HH11 ARG 93 6.020 20.293 -5.929 712 HH12 ARG 93 HH12 ARG 93 5.660 21.276 -7.315 713 HH21 ARG 93 HH21 ARG 93 8.930 22.404 -7.675 714 HH22 ARG 93 HH22 ARG 93 7.291 22.467 -8.301 715 H GLU 94 H GLU 94 9.598 16.435 -0.903 716 HA GLU 94 HA GLU 94 9.159 17.380 1.761 717 HB2 GLU 94 HB2 GLU 94 9.428 14.565 0.643 718 HB3 GLU 94 HB3 GLU 94 8.923 14.918 2.291 719 HG2 GLU 94 HG2 GLU 94 7.462 15.970 -0.173 720 HG3 GLU 94 HG3 GLU 94 7.060 14.467 0.645 721 H ARG 95 H ARG 95 11.847 15.283 0.522 722 HA ARG 95 HA ARG 95 13.212 15.026 2.981 723 HB2 ARG 95 HB2 ARG 95 13.565 13.766 0.786 724 HB3 ARG 95 HB3 ARG 95 14.529 15.147 0.231 725 HG2 ARG 95 HG2 ARG 95 16.039 14.761 2.275 726 HG3 ARG 95 HG3 ARG 95 15.064 13.319 2.614 727 HD2 ARG 95 HD2 ARG 95 15.626 12.725 0.093 728 HD3 ARG 95 HD3 ARG 95 16.959 13.863 0.315 729 HE ARG 95 HE ARG 95 16.440 11.351 1.893 730 HH11 ARG 95 HH11 ARG 95 18.961 13.713 1.084 731 HH12 ARG 95 HH12 ARG 95 20.187 12.434 1.247 732 HH21 ARG 95 HH21 ARG 95 18.114 9.974 2.171 733 HH22 ARG 95 HH22 ARG 95 19.766 10.586 1.901 734 H VAL 96 H VAL 96 13.632 17.571 0.500 735 HA VAL 96 HA VAL 96 15.836 18.760 2.047 736 HB VAL 96 HB VAL 96 14.661 19.629 -0.618 737 HG11 VAL 96 HG11 VAL 96 17.283 20.317 0.792 738 HG12 VAL 96 HG12 VAL 96 16.898 20.727 -0.893 739 HG13 VAL 96 HG13 VAL 96 15.954 21.440 0.411 740 HG21 VAL 96 HG21 VAL 96 16.787 18.476 -1.484 741 HG22 VAL 96 HG22 VAL 96 16.941 17.747 0.140 742 HG23 VAL 96 HG23 VAL 96 15.553 17.381 -0.875 743 H SER 97 H SER 97 12.451 19.699 1.261 744 HA SER 97 HA SER 97 12.856 22.219 2.784 745 HB2 SER 97 HB2 SER 97 10.550 21.437 0.992 746 HB3 SER 97 HB3 SER 97 10.874 23.021 1.714 747 HG SER 97 HG SER 97 11.635 22.947 -0.444 748 H GLY 98 H GLY 98 11.349 19.097 3.343 749 HA2 GLY 98 HA2 GLY 98 9.151 19.882 4.952 750 HA3 GLY 98 HA3 GLY 98 10.018 18.345 5.038 751 H SER 99 H SER 99 12.562 19.931 5.772 752 HA SER 99 HA SER 99 12.488 19.713 8.567 753 HB2 SER 99 HB2 SER 99 14.358 21.431 6.895 754 HB3 SER 99 HB3 SER 99 14.667 20.799 8.524 755 HG SER 99 HG SER 99 15.647 19.485 6.915 756 H THR 100 H THR 100 11.117 22.286 6.750 757 HA THR 100 HA THR 100 11.371 24.411 8.692 758 HB THR 100 HB THR 100 10.773 24.659 6.258 759 HG1 THR 100 HG1 THR 100 10.474 26.397 7.596 760 HG21 THR 100 HG21 THR 100 8.490 24.486 5.522 761 HG22 THR 100 HG22 THR 100 8.968 22.898 6.144 762 HG23 THR 100 HG23 THR 100 7.939 23.963 7.127 763 H ALA 101 H ALA 101 9.359 21.545 8.615 764 HA ALA 101 HA ALA 101 7.273 22.544 10.367 765 HB1 ALA 101 HB1 ALA 101 6.896 20.744 8.721 766 HB2 ALA 101 HB2 ALA 101 8.050 19.706 9.590 767 HB3 ALA 101 HB3 ALA 101 6.533 20.201 10.367 768 H GLN 102 H GLN 102 6.846 21.942 12.530 769 HA GLN 102 HA GLN 102 9.176 21.835 14.259 770 HB2 GLN 102 HB2 GLN 102 7.119 23.192 14.636 771 HB3 GLN 102 HB3 GLN 102 6.217 21.700 14.939 772 HG2 GLN 102 HG2 GLN 102 7.653 21.223 16.899 773 HG3 GLN 102 HG3 GLN 102 8.640 22.646 16.539 774 HE21 GLN 102 HE22 GLN 102 7.875 22.814 19.001 775 HE22 GLN 102 HE21 GLN 102 6.435 23.802 19.218 776 H SER 103 H SER 103 6.882 19.419 13.097 777 HA SER 103 HA SER 103 7.256 17.438 15.105 778 HB2 SER 103 HB2 SER 103 6.477 17.057 12.190 779 HB3 SER 103 HB3 SER 103 6.221 15.904 13.514 780 HG SER 103 HG SER 103 4.331 17.162 13.104 781 H ALA 104 H ALA 104 8.405 15.512 15.148 782 HA ALA 104 HA ALA 104 10.544 14.963 13.185 783 HB1 ALA 104 HB1 ALA 104 11.054 15.334 16.172 784 HB2 ALA 104 HB2 ALA 104 12.232 14.762 14.974 785 HB3 ALA 104 HB3 ALA 104 11.612 16.420 14.875 Start of MODEL 4 1 H1 SER 1 H1 SER 1 7.427 0.131 -19.984 2 H2 SER 1 H2 SER 1 7.344 -1.144 -18.955 3 H3 SER 1 H3 SER 1 6.328 -1.057 -20.236 4 HA SER 1 HA SER 1 5.261 0.907 -19.358 5 HB2 SER 1 HB2 SER 1 5.228 -1.444 -17.416 6 HB3 SER 1 HB3 SER 1 3.980 -0.190 -17.583 7 HG SER 1 HG SER 1 3.479 -2.091 -18.796 8 H VAL 2 H VAL 2 4.979 2.444 -17.670 9 HA VAL 2 HA VAL 2 7.391 2.791 -15.905 10 HB VAL 2 HB VAL 2 7.150 5.173 -16.170 11 HG11 VAL 2 HG11 VAL 2 8.540 3.904 -17.773 12 HG12 VAL 2 HG12 VAL 2 7.165 3.833 -18.897 13 HG13 VAL 2 HG13 VAL 2 7.877 5.397 -18.456 14 HG21 VAL 2 HG21 VAL 2 4.694 5.358 -16.526 15 HG22 VAL 2 HG22 VAL 2 5.624 6.201 -17.766 16 HG23 VAL 2 HG23 VAL 2 4.883 4.637 -18.145 17 H SER 3 H SER 3 4.232 1.963 -15.463 18 HA SER 3 HA SER 3 3.406 3.941 -13.533 19 HB2 SER 3 HB2 SER 3 1.700 2.845 -14.755 20 HB3 SER 3 HB3 SER 3 2.323 1.236 -14.348 21 HG SER 3 HG SER 3 0.426 2.060 -13.112 22 H ILE 4 H ILE 4 3.426 4.077 -11.432 23 HA ILE 4 HA ILE 4 5.047 2.183 -9.857 24 HB ILE 4 HB ILE 4 3.651 4.588 -8.700 25 HG12 ILE 4 HG12 ILE 4 4.675 5.613 -10.600 26 HG13 ILE 4 HG13 ILE 4 5.614 6.009 -9.181 27 HG21 ILE 4 HG21 ILE 4 5.678 4.620 -7.245 28 HG22 ILE 4 HG22 ILE 4 4.805 3.088 -7.142 29 HG23 ILE 4 HG23 ILE 4 6.297 3.184 -8.092 30 HD11 ILE 4 HD11 ILE 4 6.395 3.907 -11.258 31 HD12 ILE 4 HD12 ILE 4 7.039 5.541 -11.126 32 HD13 ILE 4 HD13 ILE 4 7.358 4.372 -9.833 33 H LEU 5 H LEU 5 1.700 2.732 -10.591 34 HA LEU 5 HA LEU 5 0.656 1.178 -8.314 35 HB2 LEU 5 HB2 LEU 5 -0.505 2.108 -10.977 36 HB3 LEU 5 HB3 LEU 5 -1.420 1.133 -9.836 37 HG LEU 5 HG LEU 5 -0.177 3.774 -8.986 38 HD11 LEU 5 HD11 LEU 5 -2.357 4.830 -9.421 39 HD12 LEU 5 HD12 LEU 5 -1.631 4.227 -10.917 40 HD13 LEU 5 HD13 LEU 5 -2.954 3.322 -10.152 41 HD21 LEU 5 HD21 LEU 5 -0.964 2.241 -7.191 42 HD22 LEU 5 HD22 LEU 5 -1.947 3.708 -7.282 43 HD23 LEU 5 HD23 LEU 5 -2.567 2.186 -7.947 44 H ARG 6 H ARG 6 1.755 0.472 -11.630 45 HA ARG 6 HA ARG 6 1.100 -2.409 -11.357 46 HB2 ARG 6 HB2 ARG 6 2.621 -0.886 -13.511 47 HB3 ARG 6 HB3 ARG 6 2.243 -2.613 -13.556 48 HG2 ARG 6 HG2 ARG 6 -0.191 -2.092 -13.408 49 HG3 ARG 6 HG3 ARG 6 0.180 -0.361 -13.458 50 HD2 ARG 6 HD2 ARG 6 1.258 -0.653 -15.669 51 HD3 ARG 6 HD3 ARG 6 0.880 -2.371 -15.647 52 HE ARG 6 HE ARG 6 -0.965 -0.118 -16.112 53 HH11 ARG 6 HH11 ARG 6 -0.841 -3.570 -15.472 54 HH12 ARG 6 HH12 ARG 6 -2.462 -3.822 -16.050 55 HH21 ARG 6 HH21 ARG 6 -3.010 -0.520 -16.844 56 HH22 ARG 6 HH22 ARG 6 -3.658 -2.134 -16.806 57 H SER 7 H SER 7 4.003 -0.415 -11.107 58 HA SER 7 HA SER 7 5.510 -2.730 -9.939 59 HB2 SER 7 HB2 SER 7 6.560 -0.530 -11.758 60 HB3 SER 7 HB3 SER 7 7.536 -1.772 -10.948 61 HG SER 7 HG SER 7 6.987 -2.350 -13.126 62 H SER 8 H SER 8 4.608 -1.960 -7.924 63 HA SER 8 HA SER 8 5.239 0.680 -6.879 64 HB2 SER 8 HB2 SER 8 4.272 -1.787 -5.388 65 HB3 SER 8 HB3 SER 8 4.241 -0.111 -4.815 66 HG SER 8 HG SER 8 2.992 0.066 -7.046 67 H VAL 9 H VAL 9 6.652 1.249 -5.239 68 HA VAL 9 HA VAL 9 8.726 -0.687 -4.351 69 HB VAL 9 HB VAL 9 10.478 1.030 -4.600 70 HG11 VAL 9 HG11 VAL 9 10.861 0.749 -6.975 71 HG12 VAL 9 HG12 VAL 9 10.186 -0.745 -6.306 72 HG13 VAL 9 HG13 VAL 9 9.155 0.347 -7.253 73 HG21 VAL 9 HG21 VAL 9 8.490 2.582 -6.313 74 HG22 VAL 9 HG22 VAL 9 9.073 3.085 -4.708 75 HG23 VAL 9 HG23 VAL 9 10.202 2.958 -6.060 76 H ASN 10 H ASN 10 9.805 -0.121 -2.378 77 HA ASN 10 HA ASN 10 8.044 1.199 -0.453 78 HB2 ASN 10 HB2 ASN 10 9.270 -0.923 0.020 79 HB3 ASN 10 HB3 ASN 10 10.809 -0.083 -0.151 80 HD21 ASN 10 HD22 ASN 10 7.831 -0.259 1.861 81 HD22 ASN 10 HD21 ASN 10 8.596 0.473 3.264 82 H HIS 11 H HIS 11 8.605 2.999 0.906 83 HA HIS 11 HA HIS 11 9.745 5.278 -0.270 84 HB2 HIS 11 HB2 HIS 11 8.295 5.451 1.643 85 HB3 HIS 11 HB3 HIS 11 9.363 4.453 2.630 86 HD2 HIS 11 HD2 HIS 11 10.162 7.719 0.587 87 HE1 HIS 11 HE1 HIS 11 11.586 8.246 4.572 88 HE2 HIS 11 HE2 HIS 11 11.443 9.304 2.268 89 H ARG 12 H ARG 12 11.458 2.827 1.744 90 HA ARG 12 HA ARG 12 13.927 4.265 1.966 91 HB2 ARG 12 HB2 ARG 12 13.346 1.279 1.974 92 HB3 ARG 12 HB3 ARG 12 14.903 1.988 2.407 93 HG2 ARG 12 HG2 ARG 12 13.966 3.184 4.283 94 HG3 ARG 12 HG3 ARG 12 12.317 2.710 3.865 95 HD2 ARG 12 HD2 ARG 12 14.529 0.763 4.613 96 HD3 ARG 12 HD3 ARG 12 13.314 1.404 5.739 97 HE ARG 12 HE ARG 12 11.858 0.346 3.585 98 HH11 ARG 12 HH11 ARG 12 13.982 -0.972 6.047 99 HH12 ARG 12 HH12 ARG 12 13.206 -2.531 6.024 100 HH21 ARG 12 HH21 ARG 12 10.921 -1.686 3.594 101 HH22 ARG 12 HH22 ARG 12 11.511 -2.915 4.668 102 H GLU 13 H GLU 13 12.686 2.334 -0.746 103 HA GLU 13 HA GLU 13 15.270 2.215 -2.108 104 HB2 GLU 13 HB2 GLU 13 12.432 1.754 -3.081 105 HB3 GLU 13 HB3 GLU 13 13.863 1.535 -4.083 106 HG2 GLU 13 HG2 GLU 13 13.371 0.054 -1.466 107 HG3 GLU 13 HG3 GLU 13 12.959 -0.576 -3.056 108 H VAL 14 H VAL 14 12.361 4.320 -2.318 109 HA VAL 14 HA VAL 14 13.387 6.032 -4.412 110 HB VAL 14 HB VAL 14 11.403 6.752 -2.211 111 HG11 VAL 14 HG11 VAL 14 12.253 8.709 -3.533 112 HG12 VAL 14 HG12 VAL 14 11.737 7.885 -5.023 113 HG13 VAL 14 HG13 VAL 14 10.545 8.390 -3.811 114 HG21 VAL 14 HG21 VAL 14 10.900 5.512 -4.956 115 HG22 VAL 14 HG22 VAL 14 10.582 4.748 -3.384 116 HG23 VAL 14 HG23 VAL 14 9.645 6.159 -3.876 117 H ASP 15 H ASP 15 13.519 6.278 -0.826 118 HA ASP 15 HA ASP 15 14.947 8.737 -0.711 119 HB2 ASP 15 HB2 ASP 15 13.704 7.679 1.159 120 HB3 ASP 15 HB3 ASP 15 14.925 6.399 1.237 121 H GLU 16 H GLU 16 16.211 5.325 -0.668 122 HA GLU 16 HA GLU 16 18.950 6.099 -0.708 123 HB2 GLU 16 HB2 GLU 16 18.327 3.814 -0.150 124 HB3 GLU 16 HB3 GLU 16 17.604 3.581 -1.744 125 HG2 GLU 16 HG2 GLU 16 19.784 2.485 -1.588 126 HG3 GLU 16 HG3 GLU 16 19.759 3.718 -2.842 127 H ALA 17 H ALA 17 16.664 5.626 -3.500 128 HA ALA 17 HA ALA 17 18.674 5.956 -5.470 129 HB1 ALA 17 HB1 ALA 17 15.703 6.665 -5.562 130 HB2 ALA 17 HB2 ALA 17 16.770 6.512 -6.977 131 HB3 ALA 17 HB3 ALA 17 16.432 5.093 -5.973 132 H ILE 18 H ILE 18 16.624 8.430 -3.825 133 HA ILE 18 HA ILE 18 17.739 10.745 -5.140 134 HB ILE 18 HB ILE 18 16.400 10.287 -2.448 135 HG12 ILE 18 HG12 ILE 18 15.478 11.825 -4.913 136 HG13 ILE 18 HG13 ILE 18 15.158 10.105 -4.687 137 HG21 ILE 18 HG21 ILE 18 17.881 12.252 -2.127 138 HG22 ILE 18 HG22 ILE 18 17.235 12.981 -3.615 139 HG23 ILE 18 HG23 ILE 18 16.207 12.756 -2.195 140 HD11 ILE 18 HD11 ILE 18 13.221 11.342 -4.028 141 HD12 ILE 18 HD12 ILE 18 13.932 10.592 -2.585 142 HD13 ILE 18 HD13 ILE 18 14.145 12.331 -2.890 143 H ASP 19 H ASP 19 18.706 9.130 -2.061 144 HA ASP 19 HA ASP 19 20.869 10.941 -1.604 145 HB2 ASP 19 HB2 ASP 19 19.503 9.448 -0.003 146 HB3 ASP 19 HB3 ASP 19 20.612 8.163 -0.440 147 H ASN 20 H ASN 20 20.746 7.844 -3.367 148 HA ASN 20 HA ASN 20 23.578 7.603 -3.834 149 HB2 ASN 20 HB2 ASN 20 22.005 5.721 -4.083 150 HB3 ASN 20 HB3 ASN 20 21.153 6.571 -5.374 151 HD21 ASN 20 HD21 ASN 20 24.114 4.811 -4.533 152 HD22 ASN 20 HD22 ASN 20 24.667 4.653 -6.191 153 H ILE 21 H ILE 21 20.921 9.248 -5.693 154 HA ILE 21 HA ILE 21 22.639 10.227 -7.787 155 HB ILE 21 HB ILE 21 19.957 11.099 -6.659 156 HG12 ILE 21 HG12 ILE 21 20.700 10.142 -9.459 157 HG13 ILE 21 HG13 ILE 21 20.320 9.015 -8.161 158 HG21 ILE 21 HG21 ILE 21 21.606 12.473 -8.822 159 HG22 ILE 21 HG22 ILE 21 19.848 12.700 -8.656 160 HG23 ILE 21 HG23 ILE 21 20.920 13.210 -7.362 161 HD11 ILE 21 HD11 ILE 21 18.427 11.111 -9.280 162 HD12 ILE 21 HD12 ILE 21 18.339 9.354 -9.486 163 HD13 ILE 21 HD13 ILE 21 18.080 10.065 -7.881 164 H LEU 22 H LEU 22 21.697 11.650 -4.624 165 HA LEU 22 HA LEU 22 23.139 14.072 -4.806 166 HB2 LEU 22 HB2 LEU 22 21.450 13.458 -3.103 167 HB3 LEU 22 HB3 LEU 22 22.536 12.242 -2.454 168 HG LEU 22 HG LEU 22 24.153 14.032 -1.800 169 HD11 LEU 22 HD11 LEU 22 23.205 16.365 -1.679 170 HD12 LEU 22 HD12 LEU 22 23.497 15.814 -3.332 171 HD13 LEU 22 HD13 LEU 22 21.848 15.829 -2.696 172 HD21 LEU 22 HD21 LEU 22 21.313 14.199 -0.709 173 HD22 LEU 22 HD22 LEU 22 22.590 13.083 -0.188 174 HD23 LEU 22 HD23 LEU 22 22.769 14.818 0.108 175 H ARG 23 H ARG 23 24.271 10.887 -3.558 176 HA ARG 23 HA ARG 23 27.021 11.618 -3.115 177 HB2 ARG 23 HB2 ARG 23 25.498 9.028 -3.523 178 HB3 ARG 23 HB3 ARG 23 27.260 9.017 -3.469 179 HG2 ARG 23 HG2 ARG 23 27.317 9.960 -1.270 180 HG3 ARG 23 HG3 ARG 23 25.571 10.232 -1.246 181 HD2 ARG 23 HD2 ARG 23 26.555 7.413 -1.726 182 HD3 ARG 23 HD3 ARG 23 26.733 8.083 -0.109 183 HE ARG 23 HE ARG 23 24.244 8.647 -0.224 184 HH11 ARG 23 HH11 ARG 23 25.343 5.635 -1.835 185 HH12 ARG 23 HH12 ARG 23 23.704 4.990 -1.601 186 HH21 ARG 23 HH22 ARG 23 22.552 7.597 0.165 187 HH22 ARG 23 HH21 ARG 23 22.271 5.938 -0.421 188 H TYR 24 H TYR 24 25.533 10.008 -5.994 189 HA TYR 24 HA TYR 24 27.906 9.765 -7.502 190 HB2 TYR 24 HB2 TYR 24 25.912 8.544 -8.065 191 HB3 TYR 24 HB3 TYR 24 24.976 10.021 -8.246 192 HD1 TYR 24 HD2 TYR 24 27.969 8.274 -9.724 193 HD2 TYR 24 HD1 TYR 24 24.626 10.921 -10.383 194 HE1 TYR 24 HE2 TYR 24 28.497 8.330 -12.155 195 HE2 TYR 24 HE1 TYR 24 25.157 10.981 -12.818 196 HH TYR 24 HH TYR 24 27.911 9.160 -14.220 197 H THR 25 H THR 25 25.506 12.453 -7.534 198 HA THR 25 HA THR 25 27.045 14.003 -9.474 199 HB THR 25 HB THR 25 25.467 15.824 -8.985 200 HG1 THR 25 HG1 THR 25 24.139 14.008 -7.276 201 HG21 THR 25 HG21 THR 25 23.393 14.744 -9.734 202 HG22 THR 25 HG22 THR 25 24.794 14.211 -10.681 203 HG23 THR 25 HG23 THR 25 24.100 13.144 -9.437 204 H ASN 26 H ASN 26 27.671 13.465 -6.192 205 HA ASN 26 HA ASN 26 28.948 14.485 -4.639 206 HB2 ASN 26 HB2 ASN 26 30.611 14.090 -6.426 207 HB3 ASN 26 HB3 ASN 26 30.297 15.688 -7.087 208 HD21 ASN 26 HD21 ASN 26 31.807 17.167 -6.524 209 HD22 ASN 26 HD22 ASN 26 32.757 17.112 -5.038 210 H SER 27 H SER 27 26.456 15.691 -5.017 211 HA SER 27 HA SER 27 26.936 18.639 -4.945 212 HB2 SER 27 HB2 SER 27 24.662 18.866 -5.745 213 HB3 SER 27 HB3 SER 27 25.577 17.787 -6.812 214 HG SER 27 HG SER 27 24.311 16.169 -6.271 215 H THR 28 H THR 28 25.239 19.896 -3.750 216 HA THR 28 HA THR 28 24.481 18.609 -1.149 217 HB THR 28 HB THR 28 25.930 20.509 -0.818 218 HG1 THR 28 HG1 THR 28 24.590 21.496 0.663 219 HG21 THR 28 HG21 THR 28 25.211 22.805 -1.277 220 HG22 THR 28 HG22 THR 28 25.385 21.919 -2.799 221 HG23 THR 28 HG23 THR 28 23.768 22.223 -2.123 222 H GLU 29 H GLU 29 22.310 18.913 -0.346 223 HA GLU 29 HA GLU 29 20.470 18.351 -2.459 224 HB2 GLU 29 HB2 GLU 29 19.872 18.910 0.468 225 HB3 GLU 29 HB3 GLU 29 18.787 18.176 -0.728 226 HG2 GLU 29 HG2 GLU 29 20.337 16.324 -1.068 227 HG3 GLU 29 HG3 GLU 29 21.393 16.953 0.202 228 H GLN 30 H GLN 30 21.171 21.417 -0.849 229 HA GLN 30 HA GLN 30 18.873 22.890 -1.769 230 HB2 GLN 30 HB2 GLN 30 21.785 23.691 -1.291 231 HB3 GLN 30 HB3 GLN 30 20.518 24.850 -1.676 232 HG2 GLN 30 HG2 GLN 30 20.379 23.019 0.759 233 HG3 GLN 30 HG3 GLN 30 21.125 24.614 0.779 234 HE21 GLN 30 HE22 GLN 30 19.709 26.532 0.211 235 HE22 GLN 30 HE21 GLN 30 17.999 26.396 0.600 236 H GLN 31 H GLN 31 21.973 22.051 -3.401 237 HA GLN 31 HA GLN 31 21.193 23.501 -5.832 238 HB2 GLN 31 HB2 GLN 31 23.531 21.635 -5.240 239 HB3 GLN 31 HB3 GLN 31 23.250 22.429 -6.788 240 HG2 GLN 31 HG2 GLN 31 23.836 23.791 -4.129 241 HG3 GLN 31 HG3 GLN 31 24.861 23.742 -5.564 242 HE21 GLN 31 HE22 GLN 31 23.711 24.750 -7.655 243 HE22 GLN 31 HE21 GLN 31 22.628 26.110 -7.349 244 H PHE 32 H PHE 32 20.963 20.110 -4.697 245 HA PHE 32 HA PHE 32 20.000 19.129 -7.217 246 HB2 PHE 32 HB2 PHE 32 20.844 17.799 -5.255 247 HB3 PHE 32 HB3 PHE 32 19.327 18.132 -4.435 248 HD1 PHE 32 HD1 PHE 32 18.574 17.509 -7.935 249 HD2 PHE 32 HD2 PHE 32 19.759 15.553 -4.271 250 HE1 PHE 32 HE1 PHE 32 17.621 15.393 -8.754 251 HE2 PHE 32 HE2 PHE 32 18.856 13.419 -5.129 252 HZ PHE 32 HZ PHE 32 17.724 13.338 -7.346 253 H LEU 33 H LEU 33 18.239 20.646 -4.442 254 HA LEU 33 HA LEU 33 15.661 20.545 -5.691 255 HB2 LEU 33 HB2 LEU 33 16.073 20.901 -3.303 256 HB3 LEU 33 HB3 LEU 33 16.838 22.442 -3.616 257 HG LEU 33 HG LEU 33 14.539 22.517 -2.657 258 HD11 LEU 33 HD11 LEU 33 15.510 24.448 -3.942 259 HD12 LEU 33 HD12 LEU 33 14.578 23.902 -5.357 260 HD13 LEU 33 HD13 LEU 33 13.744 24.381 -3.881 261 HD21 LEU 33 HD21 LEU 33 13.529 20.652 -3.930 262 HD22 LEU 33 HD22 LEU 33 12.591 22.152 -4.035 263 HD23 LEU 33 HD23 LEU 33 13.581 21.639 -5.415 264 H GLU 34 H GLU 34 18.150 23.129 -5.782 265 HA GLU 34 HA GLU 34 16.694 24.831 -7.527 266 HB2 GLU 34 HB2 GLU 34 18.694 25.476 -6.195 267 HB3 GLU 34 HB3 GLU 34 19.714 24.514 -7.272 268 HG2 GLU 34 HG2 GLU 34 19.155 25.958 -9.167 269 HG3 GLU 34 HG3 GLU 34 17.985 26.845 -8.182 270 H ALA 35 H ALA 35 18.943 22.181 -8.383 271 HA ALA 35 HA ALA 35 18.776 22.610 -11.213 272 HB1 ALA 35 HB1 ALA 35 19.799 20.364 -11.341 273 HB2 ALA 35 HB2 ALA 35 20.597 21.350 -10.105 274 HB3 ALA 35 HB3 ALA 35 19.445 20.084 -9.619 275 H MET 36 H MET 36 16.852 20.452 -9.016 276 HA MET 36 HA MET 36 15.205 19.379 -11.143 277 HB2 MET 36 HB2 MET 36 14.838 19.640 -8.133 278 HB3 MET 36 HB3 MET 36 13.640 18.869 -9.178 279 HG2 MET 36 HG2 MET 36 16.552 18.012 -9.084 280 HG3 MET 36 HG3 MET 36 15.316 17.310 -8.050 281 HE1 MET 36 HE1 MET 36 13.195 15.108 -10.335 282 HE2 MET 36 HE2 MET 36 13.846 15.321 -8.692 283 HE3 MET 36 HE3 MET 36 12.851 16.598 -9.432 284 H GLU 37 H GLU 37 14.761 22.283 -9.020 285 HA GLU 37 HA GLU 37 12.188 22.908 -10.163 286 HB2 GLU 37 HB2 GLU 37 13.023 23.622 -7.941 287 HB3 GLU 37 HB3 GLU 37 14.165 24.723 -8.724 288 HG2 GLU 37 HG2 GLU 37 12.354 26.050 -9.640 289 HG3 GLU 37 HG3 GLU 37 11.158 24.829 -9.196 290 H SER 38 H SER 38 15.526 23.901 -11.063 291 HA SER 38 HA SER 38 14.700 25.749 -13.129 292 HB2 SER 38 HB2 SER 38 17.320 24.224 -12.845 293 HB3 SER 38 HB3 SER 38 17.026 25.635 -13.879 294 HG SER 38 HG SER 38 17.044 25.475 -11.055 295 H THR 39 H THR 39 15.026 22.240 -13.124 296 HA THR 39 HA THR 39 14.880 22.139 -16.107 297 HB THR 39 HB THR 39 15.448 19.760 -15.867 298 HG1 THR 39 HG1 THR 39 16.023 20.297 -13.176 299 HG21 THR 39 HG21 THR 39 17.277 21.320 -16.191 300 HG22 THR 39 HG22 THR 39 17.367 21.666 -14.458 301 HG23 THR 39 HG23 THR 39 17.773 20.051 -15.047 302 H GLY 40 H GLY 40 12.639 22.187 -13.634 303 HA2 GLY 40 HA2 GLY 40 10.361 21.804 -13.726 304 HA3 GLY 40 HA3 GLY 40 10.528 21.190 -15.374 305 H GLY 41 H GLY 41 12.388 19.834 -12.693 306 HA2 GLY 41 HA2 GLY 41 12.131 17.918 -11.437 307 HA3 GLY 41 HA3 GLY 41 10.517 17.674 -12.111 308 H ARG 42 H ARG 42 13.172 17.975 -14.440 309 HA ARG 42 HA ARG 42 12.882 15.076 -15.103 310 HB2 ARG 42 HB2 ARG 42 14.133 17.423 -16.574 311 HB3 ARG 42 HB3 ARG 42 14.457 15.737 -16.987 312 HG2 ARG 42 HG2 ARG 42 11.768 15.559 -16.936 313 HG3 ARG 42 HG3 ARG 42 11.904 17.296 -17.300 314 HD2 ARG 42 HD2 ARG 42 13.356 16.743 -19.233 315 HD3 ARG 42 HD3 ARG 42 13.275 15.013 -18.797 316 HE ARG 42 HE ARG 42 10.615 15.942 -19.085 317 HH11 ARG 42 HH21 ARG 42 13.344 15.487 -21.257 318 HH12 ARG 42 HH22 ARG 42 12.309 15.249 -22.640 319 HH21 ARG 42 HH11 ARG 42 9.371 15.623 -20.883 320 HH22 ARG 42 HH12 ARG 42 10.113 15.320 -22.425 321 H VAL 43 H VAL 43 13.943 13.895 -13.675 322 HA VAL 43 HA VAL 43 16.265 14.531 -12.232 323 HB VAL 43 HB VAL 43 15.428 11.755 -13.177 324 HG11 VAL 43 HG11 VAL 43 17.710 11.727 -12.213 325 HG12 VAL 43 HG12 VAL 43 17.142 12.638 -10.798 326 HG13 VAL 43 HG13 VAL 43 16.561 10.988 -11.094 327 HG21 VAL 43 HG21 VAL 43 14.707 13.262 -10.622 328 HG22 VAL 43 HG22 VAL 43 13.582 12.934 -11.956 329 HG23 VAL 43 HG23 VAL 43 14.249 11.594 -11.029 330 H ARG 44 H ARG 44 16.137 13.011 -15.521 331 HA ARG 44 HA ARG 44 18.932 12.562 -15.744 332 HB2 ARG 44 HB2 ARG 44 18.560 12.247 -18.077 333 HB3 ARG 44 HB3 ARG 44 17.238 11.532 -17.164 334 HG2 ARG 44 HG2 ARG 44 15.796 13.561 -17.777 335 HG3 ARG 44 HG3 ARG 44 17.128 14.119 -18.794 336 HD2 ARG 44 HD2 ARG 44 15.763 11.418 -19.071 337 HD3 ARG 44 HD3 ARG 44 15.335 12.865 -20.006 338 HE ARG 44 HE ARG 44 18.068 12.557 -20.426 339 HH11 ARG 44 HH21 ARG 44 15.258 10.567 -21.108 340 HH12 ARG 44 HH22 ARG 44 16.036 9.777 -22.448 341 HH21 ARG 44 HH12 ARG 44 18.997 11.499 -22.142 342 HH22 ARG 44 HH11 ARG 44 18.094 10.306 -23.023 343 H ILE 45 H ILE 45 17.106 15.520 -16.516 344 HA ILE 45 HA ILE 45 19.481 16.858 -17.611 345 HB ILE 45 HB ILE 45 16.846 18.152 -16.846 346 HG12 ILE 45 HG12 ILE 45 17.694 16.882 -19.495 347 HG13 ILE 45 HG13 ILE 45 16.380 16.341 -18.445 348 HG21 ILE 45 HG21 ILE 45 17.580 19.918 -18.406 349 HG22 ILE 45 HG22 ILE 45 18.866 19.667 -17.240 350 HG23 ILE 45 HG23 ILE 45 19.007 18.964 -18.862 351 HD11 ILE 45 HD11 ILE 45 16.432 18.902 -20.070 352 HD12 ILE 45 HD12 ILE 45 15.406 17.489 -20.299 353 HD13 ILE 45 HD13 ILE 45 15.188 18.511 -18.860 354 H ALA 46 H ALA 46 17.726 16.799 -14.481 355 HA ALA 46 HA ALA 46 19.253 18.847 -13.225 356 HB1 ALA 46 HB1 ALA 46 17.862 16.419 -12.002 357 HB2 ALA 46 HB2 ALA 46 18.361 17.889 -11.142 358 HB3 ALA 46 HB3 ALA 46 17.095 17.977 -12.384 359 H ILE 47 H ILE 47 19.799 15.237 -13.189 360 HA ILE 47 HA ILE 47 22.282 15.528 -11.767 361 HB ILE 47 HB ILE 47 22.757 13.247 -12.208 362 HG12 ILE 47 HG12 ILE 47 20.495 13.238 -14.224 363 HG13 ILE 47 HG13 ILE 47 22.205 13.040 -14.573 364 HG21 ILE 47 HG21 ILE 47 21.012 13.954 -10.539 365 HG22 ILE 47 HG22 ILE 47 19.768 13.480 -11.706 366 HG23 ILE 47 HG23 ILE 47 20.897 12.269 -11.080 367 HD11 ILE 47 HD11 ILE 47 21.175 10.880 -14.651 368 HD12 ILE 47 HD12 ILE 47 22.207 10.933 -13.205 369 HD13 ILE 47 HD13 ILE 47 20.434 11.091 -13.056 370 H ALA 48 H ALA 48 21.598 15.456 -15.317 371 HA ALA 48 HA ALA 48 24.277 15.630 -16.190 372 HB1 ALA 48 HB1 ALA 48 21.745 16.922 -17.296 373 HB2 ALA 48 HB2 ALA 48 23.278 16.737 -18.178 374 HB3 ALA 48 HB3 ALA 48 22.366 15.302 -17.681 375 H LYS 49 H LYS 49 22.085 18.386 -15.251 376 HA LYS 49 HA LYS 49 24.074 20.421 -15.665 377 HB2 LYS 49 HB2 LYS 49 21.536 20.303 -13.975 378 HB3 LYS 49 HB3 LYS 49 22.513 21.758 -14.099 379 HG2 LYS 49 HG2 LYS 49 21.354 20.353 -16.539 380 HG3 LYS 49 HG3 LYS 49 20.508 21.622 -15.650 381 HD2 LYS 49 HD2 LYS 49 22.341 23.211 -16.121 382 HD3 LYS 49 HD3 LYS 49 23.227 21.948 -17.009 383 HE2 LYS 49 HE2 LYS 49 21.364 21.733 -18.605 384 HE3 LYS 49 HE3 LYS 49 20.439 22.953 -17.719 385 HZ1 LYS 49 HZ1 LYS 49 23.039 23.443 -19.101 386 HZ2 LYS 49 HZ2 LYS 49 21.580 23.931 -19.635 387 HZ3 LYS 49 HZ3 LYS 49 22.202 24.577 -18.268 388 H LEU 50 H LEU 50 23.279 18.534 -12.725 389 HA LEU 50 HA LEU 50 25.135 19.943 -11.025 390 HB2 LEU 50 HB2 LEU 50 23.964 17.135 -10.884 391 HB3 LEU 50 HB3 LEU 50 24.939 17.858 -9.607 392 HG LEU 50 HG LEU 50 22.324 19.089 -10.551 393 HD11 LEU 50 HD11 LEU 50 21.938 16.812 -9.655 394 HD12 LEU 50 HD12 LEU 50 22.847 17.235 -8.185 395 HD13 LEU 50 HD13 LEU 50 21.314 18.053 -8.572 396 HD21 LEU 50 HD21 LEU 50 23.987 19.503 -8.038 397 HD22 LEU 50 HD22 LEU 50 23.783 20.665 -9.374 398 HD23 LEU 50 HD23 LEU 50 22.400 20.223 -8.375 399 H LEU 51 H LEU 51 25.630 17.021 -13.105 400 HA LEU 51 HA LEU 51 28.364 16.786 -12.075 401 HB2 LEU 51 HB2 LEU 51 28.529 14.749 -13.137 402 HB3 LEU 51 HB3 LEU 51 26.909 14.858 -12.499 403 HG LEU 51 HG LEU 51 26.297 15.597 -14.995 404 HD11 LEU 51 HD11 LEU 51 28.801 13.894 -15.406 405 HD12 LEU 51 HD12 LEU 51 27.656 14.410 -16.668 406 HD13 LEU 51 HD13 LEU 51 28.667 15.605 -15.849 407 HD21 LEU 51 HD21 LEU 51 25.467 13.568 -13.853 408 HD22 LEU 51 HD22 LEU 51 25.876 13.230 -15.538 409 HD23 LEU 51 HD23 LEU 51 26.984 12.722 -14.242 410 H SER 52 H SER 52 26.981 17.887 -15.227 411 HA SER 52 HA SER 52 29.499 18.258 -16.499 412 HB2 SER 52 HB2 SER 52 26.838 19.639 -16.961 413 HB3 SER 52 HB3 SER 52 28.238 19.777 -18.042 414 HG SER 52 HG SER 52 28.119 17.589 -18.490 415 H LYS 53 H LYS 53 27.893 20.316 -14.145 416 HA LYS 53 HA LYS 53 29.479 22.676 -14.470 417 HB2 LYS 53 HB2 LYS 53 27.344 22.454 -13.179 418 HB3 LYS 53 HB3 LYS 53 28.158 21.419 -12.008 419 HG2 LYS 53 HG2 LYS 53 27.840 23.665 -11.137 420 HG3 LYS 53 HG3 LYS 53 29.549 23.269 -11.254 421 HD2 LYS 53 HD2 LYS 53 29.213 25.562 -11.945 422 HD3 LYS 53 HD3 LYS 53 29.711 24.622 -13.353 423 HE2 LYS 53 HE2 LYS 53 27.350 24.496 -14.121 424 HE3 LYS 53 HE3 LYS 53 26.830 25.369 -12.674 425 HZ1 LYS 53 HZ1 LYS 53 28.624 26.487 -14.772 426 HZ2 LYS 53 HZ2 LYS 53 27.048 26.874 -14.572 427 HZ3 LYS 53 HZ3 LYS 53 28.136 27.291 -13.432 428 H GLN 54 H GLN 54 30.273 19.559 -13.138 429 HA GLN 54 HA GLN 54 32.757 20.575 -11.805 430 HB2 GLN 54 HB2 GLN 54 31.132 18.034 -11.470 431 HB3 GLN 54 HB3 GLN 54 32.676 18.344 -10.666 432 HG2 GLN 54 HG2 GLN 54 31.773 20.205 -9.424 433 HG3 GLN 54 HG3 GLN 54 30.259 20.178 -10.339 434 HE21 GLN 54 HE22 GLN 54 28.660 18.563 -9.873 435 HE22 GLN 54 HE21 GLN 54 28.839 17.472 -8.509 436 H THR 55 H THR 55 31.640 18.069 -14.140 437 HA THR 55 HA THR 55 34.349 17.802 -15.272 438 HB THR 55 HB THR 55 34.536 16.405 -13.311 439 HG1 THR 55 HG1 THR 55 35.083 14.510 -14.337 440 HG21 THR 55 HG21 THR 55 32.081 14.881 -14.279 441 HG22 THR 55 HG22 THR 55 33.128 14.432 -12.920 442 HG23 THR 55 HG23 THR 55 32.173 15.915 -12.831 443 H SER 56 H SER 56 34.427 16.610 -17.217 444 HA SER 56 HA SER 56 31.975 16.660 -18.798 445 HB2 SER 56 HB2 SER 56 34.796 15.835 -19.566 446 HB3 SER 56 HB3 SER 56 33.444 16.127 -20.682 447 HG SER 56 HG SER 56 34.830 17.970 -20.464 448 H GLY 57 H GLY 57 31.326 14.920 -16.969 449 HA2 GLY 57 HA2 GLY 57 32.060 12.162 -17.380 450 HA3 GLY 57 HA3 GLY 57 30.700 12.752 -16.426 451 H GLY 58 H GLY 58 30.417 10.432 -17.754 452 HA2 GLY 58 HA2 GLY 58 28.805 9.347 -19.007 453 HA3 GLY 58 HA3 GLY 58 28.171 10.898 -19.550 454 H SER 59 H SER 59 31.548 10.533 -20.168 455 HA SER 59 HA SER 59 31.154 10.402 -23.052 456 HB2 SER 59 HB2 SER 59 33.601 10.685 -23.133 457 HB3 SER 59 HB3 SER 59 32.799 11.906 -22.134 458 HG SER 59 HG SER 59 34.679 11.046 -21.104 459 H GLY 60 H GLY 60 32.426 8.947 -24.433 460 HA2 GLY 60 HA2 GLY 60 33.210 6.892 -25.154 461 HA3 GLY 60 HA3 GLY 60 33.385 6.381 -23.481 462 H GLY 61 H GLY 61 32.677 4.314 -24.413 463 HA2 GLY 61 HA2 GLY 61 30.001 3.896 -25.426 464 HA3 GLY 61 HA3 GLY 61 31.154 2.658 -24.934 465 H SER 62 H SER 62 28.478 2.340 -24.483 466 HA SER 62 HA SER 62 27.517 3.129 -21.921 467 HB2 SER 62 HB2 SER 62 26.764 0.706 -23.600 468 HB3 SER 62 HB3 SER 62 25.817 1.385 -22.264 469 HG SER 62 HG SER 62 25.089 2.132 -24.331 470 H LYS 63 H LYS 63 27.202 1.941 -19.999 471 HA LYS 63 HA LYS 63 29.425 0.392 -19.084 472 HB2 LYS 63 HB2 LYS 63 28.285 0.280 -16.973 473 HB3 LYS 63 HB3 LYS 63 28.065 1.875 -17.669 474 HG2 LYS 63 HG2 LYS 63 25.915 1.578 -17.041 475 HG3 LYS 63 HG3 LYS 63 25.772 0.737 -18.580 476 HD2 LYS 63 HD2 LYS 63 26.285 -1.447 -17.271 477 HD3 LYS 63 HD3 LYS 63 26.207 -0.463 -15.810 478 HE2 LYS 63 HE2 LYS 63 24.054 -1.342 -15.924 479 HE3 LYS 63 HE3 LYS 63 23.857 0.272 -16.616 480 HZ1 LYS 63 HZ1 LYS 63 24.102 -2.292 -18.129 481 HZ2 LYS 63 HZ2 LYS 63 22.752 -1.382 -17.994 482 HZ3 LYS 63 HZ3 LYS 63 24.014 -0.817 -18.861 483 H LEU 64 H LEU 64 29.616 -1.741 -18.408 484 HA LEU 64 HA LEU 64 28.149 -3.682 -20.083 485 HB2 LEU 64 HB2 LEU 64 30.554 -4.042 -18.259 486 HB3 LEU 64 HB3 LEU 64 29.892 -5.264 -19.341 487 HG LEU 64 HG LEU 64 31.167 -2.631 -20.214 488 HD11 LEU 64 HD11 LEU 64 32.775 -4.264 -19.312 489 HD12 LEU 64 HD12 LEU 64 32.151 -5.505 -20.421 490 HD13 LEU 64 HD13 LEU 64 32.974 -4.070 -21.060 491 HD21 LEU 64 HD21 LEU 64 29.474 -3.309 -21.860 492 HD22 LEU 64 HD22 LEU 64 31.088 -3.617 -22.499 493 HD23 LEU 64 HD23 LEU 64 30.117 -4.968 -21.875 494 H GLY 65 H GLY 65 27.092 -5.510 -19.343 495 HA2 GLY 65 HA2 GLY 65 25.843 -6.850 -17.934 496 HA3 GLY 65 HA3 GLY 65 26.646 -6.126 -16.548 497 H GLY 66 H GLY 66 24.353 -6.552 -15.795 498 HA2 GLY 66 HA2 GLY 66 22.915 -4.149 -15.338 499 HA3 GLY 66 HA3 GLY 66 22.093 -5.045 -16.622 500 H SER 67 H SER 67 20.442 -4.823 -14.737 501 HA SER 67 HA SER 67 20.647 -6.419 -12.394 502 HB2 SER 67 HB2 SER 67 18.151 -5.502 -13.867 503 HB3 SER 67 HB3 SER 67 18.221 -6.096 -12.195 504 HG SER 67 HG SER 67 18.276 -3.781 -12.320 505 H GLY 68 H GLY 68 19.987 -8.453 -11.837 506 HA2 GLY 68 HA2 GLY 68 19.858 -10.484 -13.897 507 HA3 GLY 68 HA3 GLY 68 19.750 -10.735 -12.161 508 H GLY 69 H GLY 69 18.242 -12.098 -14.154 509 HA2 GLY 69 HA2 GLY 69 15.526 -11.123 -14.335 510 HA3 GLY 69 HA3 GLY 69 16.109 -12.739 -14.737 511 H SER 70 H SER 70 17.154 -12.637 -11.712 512 HA SER 70 HA SER 70 14.997 -14.214 -10.646 513 HB2 SER 70 HB2 SER 70 17.459 -13.157 -9.213 514 HB3 SER 70 HB3 SER 70 16.468 -14.546 -8.741 515 HG SER 70 HG SER 70 17.157 -15.626 -10.632 516 H ARG 71 H ARG 71 15.197 -10.872 -10.698 517 HA ARG 71 HA ARG 71 14.410 -10.134 -8.025 518 HB2 ARG 71 HB2 ARG 71 14.052 -8.738 -10.718 519 HB3 ARG 71 HB3 ARG 71 13.602 -8.038 -9.165 520 HG2 ARG 71 HG2 ARG 71 15.973 -8.194 -8.399 521 HG3 ARG 71 HG3 ARG 71 16.419 -8.795 -10.002 522 HD2 ARG 71 HD2 ARG 71 16.885 -6.429 -9.920 523 HD3 ARG 71 HD3 ARG 71 15.537 -6.673 -11.021 524 HE ARG 71 HE ARG 71 15.499 -5.425 -8.317 525 HH11 ARG 71 HH11 ARG 71 13.521 -6.186 -11.139 526 HH12 ARG 71 HH12 ARG 71 12.088 -5.511 -10.382 527 HH21 ARG 71 HH21 ARG 71 13.639 -4.415 -7.569 528 HH22 ARG 71 HH22 ARG 71 12.187 -4.469 -8.553 529 H LYS 72 H LYS 72 12.479 -9.209 -7.335 530 HA LYS 72 HA LYS 72 9.914 -9.835 -8.721 531 HB2 LYS 72 HB2 LYS 72 10.472 -10.146 -5.733 532 HB3 LYS 72 HB3 LYS 72 8.877 -10.242 -6.467 533 HG2 LYS 72 HG2 LYS 72 11.181 -12.167 -7.030 534 HG3 LYS 72 HG3 LYS 72 9.853 -12.448 -5.908 535 HD2 LYS 72 HD2 LYS 72 8.215 -12.313 -7.768 536 HD3 LYS 72 HD3 LYS 72 9.546 -12.064 -8.921 537 HE2 LYS 72 HE2 LYS 72 10.541 -14.238 -8.249 538 HE3 LYS 72 HE3 LYS 72 9.220 -14.496 -7.102 539 HZ1 LYS 72 HZ1 LYS 72 8.890 -14.273 -10.057 540 HZ2 LYS 72 HZ2 LYS 72 8.798 -15.656 -9.195 541 HZ3 LYS 72 HZ3 LYS 72 7.665 -14.501 -8.992 542 H ASP 73 H ASP 73 8.223 -8.354 -8.231 543 HA ASP 73 HA ASP 73 8.938 -5.811 -6.866 544 HB2 ASP 73 HB2 ASP 73 7.874 -6.027 -9.708 545 HB3 ASP 73 HB3 ASP 73 7.820 -4.554 -8.748 546 H LEU 74 H LEU 74 7.113 -4.540 -6.230 547 HA LEU 74 HA LEU 74 4.699 -6.162 -5.603 548 HB2 LEU 74 HB2 LEU 74 5.677 -3.469 -4.572 549 HB3 LEU 74 HB3 LEU 74 4.227 -4.294 -4.012 550 HG LEU 74 HG LEU 74 7.084 -5.312 -3.682 551 HD11 LEU 74 HD11 LEU 74 6.730 -4.793 -1.310 552 HD12 LEU 74 HD12 LEU 74 6.547 -3.339 -2.299 553 HD13 LEU 74 HD13 LEU 74 5.105 -4.168 -1.663 554 HD21 LEU 74 HD21 LEU 74 6.064 -6.974 -2.140 555 HD22 LEU 74 HD22 LEU 74 4.445 -6.433 -2.633 556 HD23 LEU 74 HD23 LEU 74 5.531 -7.213 -3.805 557 H SER 75 H SER 75 2.593 -4.911 -5.579 558 HA SER 75 HA SER 75 2.325 -2.801 -7.630 559 HB2 SER 75 HB2 SER 75 0.434 -3.877 -8.710 560 HB3 SER 75 HB3 SER 75 1.877 -4.896 -8.844 561 HG SER 75 HG SER 75 0.042 -6.133 -8.227 562 H VAL 76 H VAL 76 0.212 -1.791 -7.550 563 HA VAL 76 HA VAL 76 -1.198 -0.426 -6.549 564 HB VAL 76 HB VAL 76 -3.074 -1.332 -5.384 565 HG11 VAL 76 HG11 VAL 76 -3.804 -2.946 -7.034 566 HG12 VAL 76 HG12 VAL 76 -2.867 -1.666 -7.823 567 HG13 VAL 76 HG13 VAL 76 -2.130 -3.258 -7.535 568 HG21 VAL 76 HG21 VAL 76 -3.293 -3.593 -4.643 569 HG22 VAL 76 HG22 VAL 76 -1.680 -4.027 -5.227 570 HG23 VAL 76 HG23 VAL 76 -1.855 -2.921 -3.847 571 H LYS 77 H LYS 77 1.228 -1.370 -4.521 572 HA LYS 77 HA LYS 77 0.371 0.234 -2.195 573 HB2 LYS 77 HB2 LYS 77 3.115 -0.877 -2.925 574 HB3 LYS 77 HB3 LYS 77 2.678 -0.140 -1.390 575 HG2 LYS 77 HG2 LYS 77 1.582 -2.755 -2.498 576 HG3 LYS 77 HG3 LYS 77 2.759 -2.556 -1.201 577 HD2 LYS 77 HD2 LYS 77 1.017 -1.360 0.161 578 HD3 LYS 77 HD3 LYS 77 -0.170 -1.693 -1.124 579 HE2 LYS 77 HE2 LYS 77 0.235 -4.130 -0.880 580 HE3 LYS 77 HE3 LYS 77 1.416 -3.811 0.398 581 HZ1 LYS 77 HZ1 LYS 77 -0.386 -2.824 1.728 582 HZ2 LYS 77 HZ2 LYS 77 -1.482 -3.126 0.552 583 HZ3 LYS 77 HZ3 LYS 77 -0.761 -4.362 1.335 584 H GLY 78 H GLY 78 1.879 0.917 -5.221 585 HA2 GLY 78 HA2 GLY 78 2.999 3.523 -4.536 586 HA3 GLY 78 HA3 GLY 78 2.696 2.883 -6.150 587 H MET 79 H MET 79 2.231 5.436 -5.955 588 HA MET 79 HA MET 79 -0.733 5.796 -5.635 589 HB2 MET 79 HB2 MET 79 0.863 6.836 -3.953 590 HB3 MET 79 HB3 MET 79 1.445 7.879 -5.249 591 HG2 MET 79 HG2 MET 79 -0.173 9.023 -3.848 592 HG3 MET 79 HG3 MET 79 -0.819 8.856 -5.471 593 HE1 MET 79 HE1 MET 79 -3.224 9.510 -4.652 594 HE2 MET 79 HE2 MET 79 -4.045 8.762 -3.263 595 HE3 MET 79 HE3 MET 79 -2.578 9.735 -3.010 596 H LEU 80 H LEU 80 1.620 5.750 -8.095 597 HA LEU 80 HA LEU 80 0.093 7.686 -9.798 598 HB2 LEU 80 HB2 LEU 80 3.112 7.414 -9.504 599 HB3 LEU 80 HB3 LEU 80 2.315 8.389 -10.731 600 HG LEU 80 HG LEU 80 2.117 8.887 -7.729 601 HD11 LEU 80 HD11 LEU 80 3.689 10.328 -9.907 602 HD12 LEU 80 HD12 LEU 80 3.586 10.809 -8.196 603 HD13 LEU 80 HD13 LEU 80 4.382 9.290 -8.643 604 HD21 LEU 80 HD21 LEU 80 1.189 11.088 -8.417 605 HD22 LEU 80 HD22 LEU 80 1.172 10.553 -10.111 606 HD23 LEU 80 HD23 LEU 80 0.134 9.759 -8.901 607 H TYR 81 H TYR 81 -0.229 7.174 -11.880 608 HA TYR 81 HA TYR 81 0.803 4.605 -12.948 609 HB2 TYR 81 HB2 TYR 81 -0.767 5.019 -14.787 610 HB3 TYR 81 HB3 TYR 81 -1.554 5.007 -13.222 611 HD1 TYR 81 HD1 TYR 81 -0.402 7.212 -16.008 612 HD2 TYR 81 HD2 TYR 81 -2.729 6.940 -12.377 613 HE1 TYR 81 HE1 TYR 81 -1.378 9.459 -16.462 614 HE2 TYR 81 HE2 TYR 81 -3.696 9.185 -12.832 615 HH TYR 81 HH TYR 81 -3.762 10.991 -14.262 616 H ASP 82 H ASP 82 1.595 7.963 -13.079 617 HA ASP 82 HA ASP 82 3.105 7.836 -15.591 618 HB2 ASP 82 HB2 ASP 82 1.916 9.883 -14.801 619 HB3 ASP 82 HB3 ASP 82 3.007 9.954 -13.415 620 H SER 83 H SER 83 5.422 8.579 -15.538 621 HA SER 83 HA SER 83 7.132 6.688 -14.419 622 HB2 SER 83 HB2 SER 83 7.777 9.524 -15.320 623 HB3 SER 83 HB3 SER 83 8.937 8.195 -15.158 624 HG SER 83 HG SER 83 8.162 8.457 -17.338 625 H ASP 84 H ASP 84 8.901 6.836 -12.982 626 HA ASP 84 HA ASP 84 8.208 7.670 -10.364 627 HB2 ASP 84 HB2 ASP 84 10.376 6.777 -9.737 628 HB3 ASP 84 HB3 ASP 84 9.584 5.709 -10.880 629 H SER 85 H SER 85 9.651 9.627 -12.804 630 HA SER 85 HA SER 85 11.401 11.316 -11.376 631 HB2 SER 85 HB2 SER 85 10.725 13.024 -13.125 632 HB3 SER 85 HB3 SER 85 11.254 11.455 -13.764 633 HG SER 85 HG SER 85 9.293 12.230 -14.759 634 H GLN 86 H GLN 86 7.796 11.498 -11.586 635 HA GLN 86 HA GLN 86 7.607 13.911 -10.012 636 HB2 GLN 86 HB2 GLN 86 5.574 11.709 -10.565 637 HB3 GLN 86 HB3 GLN 86 5.235 13.195 -9.674 638 HG2 GLN 86 HG2 GLN 86 6.131 14.460 -11.760 639 HG3 GLN 86 HG3 GLN 86 5.969 12.919 -12.606 640 HE21 GLN 86 HE22 GLN 86 3.917 12.576 -13.556 641 HE22 GLN 86 HE21 GLN 86 2.464 13.429 -13.029 642 H GLN 87 H GLN 87 7.677 10.444 -9.022 643 HA GLN 87 HA GLN 87 7.145 11.062 -6.234 644 HB2 GLN 87 HB2 GLN 87 6.683 8.857 -7.352 645 HB3 GLN 87 HB3 GLN 87 8.419 8.580 -7.464 646 HG2 GLN 87 HG2 GLN 87 7.529 7.374 -5.562 647 HG3 GLN 87 HG3 GLN 87 8.587 8.650 -4.977 648 HE21 GLN 87 HE22 GLN 87 5.119 7.731 -5.372 649 HE22 GLN 87 HE21 GLN 87 4.562 8.830 -4.122 650 H ILE 88 H ILE 88 10.150 10.556 -8.140 651 HA ILE 88 HA ILE 88 11.996 10.961 -5.980 652 HB ILE 88 HB ILE 88 12.180 11.440 -8.973 653 HG12 ILE 88 HG12 ILE 88 11.952 9.066 -8.181 654 HG13 ILE 88 HG13 ILE 88 13.399 9.415 -9.111 655 HG21 ILE 88 HG21 ILE 88 13.828 12.943 -8.094 656 HG22 ILE 88 HG22 ILE 88 14.382 11.752 -6.897 657 HG23 ILE 88 HG23 ILE 88 14.693 11.498 -8.624 658 HD11 ILE 88 HD11 ILE 88 13.359 9.201 -6.069 659 HD12 ILE 88 HD12 ILE 88 13.803 7.896 -7.184 660 HD13 ILE 88 HD13 ILE 88 14.789 9.360 -7.109 661 H LEU 89 H LEU 89 10.524 13.383 -8.249 662 HA LEU 89 HA LEU 89 11.659 15.669 -6.995 663 HB2 LEU 89 HB2 LEU 89 10.559 15.738 -9.200 664 HB3 LEU 89 HB3 LEU 89 9.035 15.224 -8.491 665 HG LEU 89 HG LEU 89 8.885 17.386 -7.234 666 HD11 LEU 89 HD11 LEU 89 11.301 17.987 -7.155 667 HD12 LEU 89 HD12 LEU 89 11.288 18.202 -8.928 668 HD13 LEU 89 HD13 LEU 89 10.326 19.261 -7.886 669 HD21 LEU 89 HD21 LEU 89 7.752 17.093 -9.387 670 HD22 LEU 89 HD22 LEU 89 8.325 18.760 -9.186 671 HD23 LEU 89 HD23 LEU 89 9.208 17.638 -10.249 672 H ASN 90 H ASN 90 8.506 14.043 -6.249 673 HA ASN 90 HA ASN 90 7.733 15.832 -4.207 674 HB2 ASN 90 HB2 ASN 90 6.262 14.128 -5.266 675 HB3 ASN 90 HB3 ASN 90 7.173 12.834 -4.494 676 HD21 ASN 90 HD22 ASN 90 4.881 15.500 -3.907 677 HD22 ASN 90 HD21 ASN 90 4.441 14.946 -2.303 678 H ARG 91 H ARG 91 9.610 12.729 -3.807 679 HA ARG 91 HA ARG 91 9.974 13.210 -0.951 680 HB2 ARG 91 HB2 ARG 91 11.241 11.288 -2.943 681 HB3 ARG 91 HB3 ARG 91 11.741 11.348 -1.251 682 HG2 ARG 91 HG2 ARG 91 8.985 10.602 -2.311 683 HG3 ARG 91 HG3 ARG 91 10.192 9.546 -1.584 684 HD2 ARG 91 HD2 ARG 91 8.927 9.834 0.276 685 HD3 ARG 91 HD3 ARG 91 9.954 11.274 0.462 686 HE ARG 91 HE ARG 91 7.483 11.677 -1.110 687 HH11 ARG 91 HH11 ARG 91 8.673 11.749 2.223 688 HH12 ARG 91 HH12 ARG 91 7.331 12.744 2.721 689 HH21 ARG 91 HH21 ARG 91 5.953 12.989 -0.393 690 HH22 ARG 91 HH22 ARG 91 5.983 13.605 1.249 691 H LEU 92 H LEU 92 11.953 14.144 -3.777 692 HA LEU 92 HA LEU 92 14.190 15.041 -2.175 693 HB2 LEU 92 HB2 LEU 92 14.308 14.524 -4.558 694 HB3 LEU 92 HB3 LEU 92 13.158 15.784 -4.947 695 HG LEU 92 HG LEU 92 15.486 16.237 -5.535 696 HD11 LEU 92 HD11 LEU 92 15.553 18.507 -5.047 697 HD12 LEU 92 HD12 LEU 92 13.837 18.084 -5.197 698 HD13 LEU 92 HD13 LEU 92 14.573 18.362 -3.589 699 HD21 LEU 92 HD21 LEU 92 15.986 16.593 -2.547 700 HD22 LEU 92 HD22 LEU 92 16.645 15.291 -3.566 701 HD23 LEU 92 HD23 LEU 92 17.118 16.973 -3.857 702 H ARG 93 H ARG 93 11.330 16.782 -3.513 703 HA ARG 93 HA ARG 93 12.038 19.305 -2.324 704 HB2 ARG 93 HB2 ARG 93 10.491 18.872 -4.299 705 HB3 ARG 93 HB3 ARG 93 9.246 18.374 -3.143 706 HG2 ARG 93 HG2 ARG 93 9.311 20.630 -2.101 707 HG3 ARG 93 HG3 ARG 93 10.666 21.082 -3.149 708 HD2 ARG 93 HD2 ARG 93 9.075 20.612 -5.143 709 HD3 ARG 93 HD3 ARG 93 7.784 20.544 -3.944 710 HE ARG 93 HE ARG 93 7.980 22.851 -3.547 711 HH11 ARG 93 HH11 ARG 93 10.488 21.967 -5.917 712 HH12 ARG 93 HH12 ARG 93 10.795 23.686 -6.217 713 HH21 ARG 93 HH21 ARG 93 8.557 24.981 -4.149 714 HH22 ARG 93 HH22 ARG 93 9.833 25.166 -5.361 715 H GLU 94 H GLU 94 10.112 16.583 -1.055 716 HA GLU 94 HA GLU 94 9.427 17.908 1.420 717 HB2 GLU 94 HB2 GLU 94 9.691 14.999 0.627 718 HB3 GLU 94 HB3 GLU 94 9.129 15.508 2.216 719 HG2 GLU 94 HG2 GLU 94 7.753 16.823 -0.102 720 HG3 GLU 94 HG3 GLU 94 7.523 15.107 0.024 721 H ARG 95 H ARG 95 12.204 15.694 0.616 722 HA ARG 95 HA ARG 95 13.524 15.803 3.127 723 HB2 ARG 95 HB2 ARG 95 14.400 15.372 0.262 724 HB3 ARG 95 HB3 ARG 95 15.640 15.611 1.492 725 HG2 ARG 95 HG2 ARG 95 14.861 13.689 2.765 726 HG3 ARG 95 HG3 ARG 95 13.474 13.493 1.679 727 HD2 ARG 95 HD2 ARG 95 15.124 11.860 1.073 728 HD3 ARG 95 HD3 ARG 95 15.022 13.049 -0.212 729 HE ARG 95 HE ARG 95 17.145 14.084 0.711 730 HH11 ARG 95 HH11 ARG 95 16.651 10.665 1.606 731 HH12 ARG 95 HH12 ARG 95 18.376 10.445 1.696 732 HH21 ARG 95 HH21 ARG 95 19.140 13.678 0.892 733 HH22 ARG 95 HH22 ARG 95 19.790 12.057 1.256 734 H VAL 96 H VAL 96 13.681 18.181 0.463 735 HA VAL 96 HA VAL 96 15.648 19.792 1.960 736 HB VAL 96 HB VAL 96 14.396 20.228 -0.778 737 HG11 VAL 96 HG11 VAL 96 16.695 21.631 0.661 738 HG12 VAL 96 HG12 VAL 96 16.376 21.776 -1.071 739 HG13 VAL 96 HG13 VAL 96 15.186 22.372 0.090 740 HG21 VAL 96 HG21 VAL 96 16.659 19.488 -1.549 741 HG22 VAL 96 HG22 VAL 96 17.097 19.181 0.153 742 HG23 VAL 96 HG23 VAL 96 15.849 18.211 -0.649 743 H SER 97 H SER 97 12.246 20.231 0.913 744 HA SER 97 HA SER 97 12.139 22.780 2.453 745 HB2 SER 97 HB2 SER 97 10.630 22.058 -0.071 746 HB3 SER 97 HB3 SER 97 10.637 23.616 0.773 747 HG SER 97 HG SER 97 12.116 23.739 -0.910 748 H GLY 98 H GLY 98 11.026 19.715 2.956 749 HA2 GLY 98 HA2 GLY 98 8.223 20.056 3.385 750 HA3 GLY 98 HA3 GLY 98 9.252 18.832 4.121 751 H SER 99 H SER 99 7.070 20.140 5.366 752 HA SER 99 HA SER 99 6.356 21.278 7.179 753 HB2 SER 99 HB2 SER 99 8.878 20.080 8.337 754 HB3 SER 99 HB3 SER 99 7.510 20.729 9.271 755 HG SER 99 HG SER 99 7.348 18.441 8.938 756 H THR 100 H THR 100 9.581 22.046 8.406 757 HA THR 100 HA THR 100 8.849 24.911 8.447 758 HB THR 100 HB THR 100 10.848 25.097 9.913 759 HG1 THR 100 HG1 THR 100 11.809 23.095 10.558 760 HG21 THR 100 HG21 THR 100 9.966 23.886 11.831 761 HG22 THR 100 HG22 THR 100 8.624 24.577 10.904 762 HG23 THR 100 HG23 THR 100 8.988 22.838 10.782 763 H ALA 101 H ALA 101 10.710 22.886 6.407 764 HA ALA 101 HA ALA 101 12.453 23.113 5.018 765 HB1 ALA 101 HB1 ALA 101 12.451 25.015 3.519 766 HB2 ALA 101 HB2 ALA 101 10.779 24.573 3.895 767 HB3 ALA 101 HB3 ALA 101 11.518 25.988 4.677 768 H GLN 102 H GLN 102 13.093 23.525 7.820 769 HA GLN 102 HA GLN 102 15.641 25.047 7.603 770 HB2 GLN 102 HB2 GLN 102 13.766 26.470 8.505 771 HB3 GLN 102 HB3 GLN 102 13.622 25.346 9.864 772 HG2 GLN 102 HG2 GLN 102 15.953 25.891 10.541 773 HG3 GLN 102 HG3 GLN 102 16.116 26.952 9.139 774 HE21 GLN 102 HE22 GLN 102 16.734 28.309 11.257 775 HE22 GLN 102 HE21 GLN 102 15.395 29.265 11.881 776 H SER 103 H SER 103 17.301 24.381 9.022 777 HA SER 103 HA SER 103 17.249 21.601 9.861 778 HB2 SER 103 HB2 SER 103 19.589 22.080 10.573 779 HB3 SER 103 HB3 SER 103 19.245 22.460 8.877 780 HG SER 103 HG SER 103 20.440 24.138 9.946 781 H ALA 104 H ALA 104 17.821 20.814 11.955 782 HA ALA 104 HA ALA 104 16.322 22.051 14.125 783 HB1 ALA 104 HB1 ALA 104 16.903 20.000 15.339 784 HB2 ALA 104 HB2 ALA 104 16.255 19.626 13.729 785 HB3 ALA 104 HB3 ALA 104 18.007 19.513 14.037 Start of MODEL 5 1 H1 SER 1 H1 SER 1 9.485 -23.375 -5.758 2 H2 SER 1 H2 SER 1 9.697 -22.537 -4.366 3 H3 SER 1 H3 SER 1 9.243 -24.109 -4.312 4 HA SER 1 HA SER 1 7.145 -23.621 -5.368 5 HB2 SER 1 HB2 SER 1 7.621 -21.960 -2.859 6 HB3 SER 1 HB3 SER 1 6.057 -22.550 -3.458 7 HG SER 1 HG SER 1 6.928 -23.948 -1.859 8 H VAL 2 H VAL 2 5.605 -22.083 -6.143 9 HA VAL 2 HA VAL 2 6.808 -19.789 -7.491 10 HB VAL 2 HB VAL 2 5.145 -21.318 -8.507 11 HG11 VAL 2 HG11 VAL 2 3.522 -21.514 -6.622 12 HG12 VAL 2 HG12 VAL 2 3.061 -19.813 -6.867 13 HG13 VAL 2 HG13 VAL 2 2.762 -21.010 -8.134 14 HG21 VAL 2 HG21 VAL 2 5.647 -19.104 -9.481 15 HG22 VAL 2 HG22 VAL 2 3.992 -19.641 -9.801 16 HG23 VAL 2 HG23 VAL 2 4.289 -18.405 -8.569 17 H SER 3 H SER 3 4.954 -20.172 -4.543 18 HA SER 3 HA SER 3 4.143 -17.406 -4.245 19 HB2 SER 3 HB2 SER 3 3.603 -18.134 -1.914 20 HB3 SER 3 HB3 SER 3 2.848 -19.113 -3.183 21 HG SER 3 HG SER 3 3.790 -20.398 -1.494 22 H ILE 4 H ILE 4 4.799 -15.999 -2.581 23 HA ILE 4 HA ILE 4 7.600 -16.133 -1.631 24 HB ILE 4 HB ILE 4 7.731 -13.621 -2.332 25 HG12 ILE 4 HG12 ILE 4 6.753 -12.985 -4.429 26 HG13 ILE 4 HG13 ILE 4 5.927 -14.529 -4.612 27 HG21 ILE 4 HG21 ILE 4 9.204 -15.420 -3.132 28 HG22 ILE 4 HG22 ILE 4 8.030 -15.829 -4.402 29 HG23 ILE 4 HG23 ILE 4 8.846 -14.250 -4.412 30 HD11 ILE 4 HD11 ILE 4 5.292 -12.542 -2.389 31 HD12 ILE 4 HD12 ILE 4 4.462 -12.597 -3.955 32 HD13 ILE 4 HD13 ILE 4 4.354 -13.982 -2.868 33 H LEU 5 H LEU 5 8.131 -14.545 0.017 34 HA LEU 5 HA LEU 5 5.988 -14.380 1.988 35 HB2 LEU 5 HB2 LEU 5 8.849 -13.338 2.047 36 HB3 LEU 5 HB3 LEU 5 7.758 -13.398 3.425 37 HG LEU 5 HG LEU 5 8.805 -15.833 1.914 38 HD11 LEU 5 HD11 LEU 5 10.109 -16.242 3.949 39 HD12 LEU 5 HD12 LEU 5 10.521 -14.667 3.254 40 HD13 LEU 5 HD13 LEU 5 9.468 -14.752 4.683 41 HD21 LEU 5 HD21 LEU 5 7.097 -15.644 4.431 42 HD22 LEU 5 HD22 LEU 5 6.600 -16.337 2.869 43 HD23 LEU 5 HD23 LEU 5 7.862 -17.125 3.818 44 H ARG 6 H ARG 6 7.441 -12.075 -0.227 45 HA ARG 6 HA ARG 6 5.298 -10.146 0.300 46 HB2 ARG 6 HB2 ARG 6 6.917 -8.222 0.537 47 HB3 ARG 6 HB3 ARG 6 6.793 -9.274 1.937 48 HG2 ARG 6 HG2 ARG 6 8.908 -10.217 1.636 49 HG3 ARG 6 HG3 ARG 6 9.009 -9.783 -0.068 50 HD2 ARG 6 HD2 ARG 6 8.937 -7.671 2.115 51 HD3 ARG 6 HD3 ARG 6 10.441 -8.434 1.618 52 HE ARG 6 HE ARG 6 8.828 -6.507 0.063 53 HH11 ARG 6 HH11 ARG 6 11.506 -8.789 -0.145 54 HH12 ARG 6 HH12 ARG 6 12.084 -8.087 -1.631 55 HH21 ARG 6 HH21 ARG 6 9.573 -5.728 -1.790 56 HH22 ARG 6 HH22 ARG 6 11.016 -6.374 -2.559 57 H SER 7 H SER 7 4.925 -8.680 -1.305 58 HA SER 7 HA SER 7 6.685 -8.662 -3.732 59 HB2 SER 7 HB2 SER 7 4.647 -8.320 -5.070 60 HB3 SER 7 HB3 SER 7 4.625 -9.866 -4.199 61 HG SER 7 HG SER 7 2.616 -8.731 -4.013 62 H SER 8 H SER 8 5.528 -6.793 -1.171 63 HA SER 8 HA SER 8 5.296 -4.230 -2.579 64 HB2 SER 8 HB2 SER 8 4.746 -3.429 -0.260 65 HB3 SER 8 HB3 SER 8 3.685 -4.697 -0.881 66 HG SER 8 HG SER 8 4.273 -5.258 1.218 67 H VAL 9 H VAL 9 6.379 -2.330 -1.630 68 HA VAL 9 HA VAL 9 9.218 -2.790 -0.788 69 HB VAL 9 HB VAL 9 9.836 -0.863 -2.263 70 HG11 VAL 9 HG11 VAL 9 9.949 -2.147 -4.327 71 HG12 VAL 9 HG12 VAL 9 10.276 -3.196 -2.942 72 HG13 VAL 9 HG13 VAL 9 8.693 -3.260 -3.751 73 HG21 VAL 9 HG21 VAL 9 8.429 -0.140 -4.053 74 HG22 VAL 9 HG22 VAL 9 7.161 -1.319 -3.646 75 HG23 VAL 9 HG23 VAL 9 7.490 0.047 -2.567 76 H ASN 10 H ASN 10 10.254 -0.726 -0.013 77 HA ASN 10 HA ASN 10 8.380 0.787 1.766 78 HB2 ASN 10 HB2 ASN 10 9.789 -0.882 2.943 79 HB3 ASN 10 HB3 ASN 10 11.238 -0.180 2.224 80 HD21 ASN 10 HD22 ASN 10 11.959 -0.017 4.533 81 HD22 ASN 10 HD21 ASN 10 11.454 1.454 5.378 82 H HIS 11 H HIS 11 8.742 3.006 2.062 83 HA HIS 11 HA HIS 11 9.765 4.489 -0.160 84 HB2 HIS 11 HB2 HIS 11 8.712 5.172 2.576 85 HB3 HIS 11 HB3 HIS 11 9.560 6.417 1.666 86 HD2 HIS 11 HD2 HIS 11 6.189 4.683 1.807 87 HE1 HIS 11 HE1 HIS 11 6.143 7.023 -1.753 88 HE2 HIS 11 HE2 HIS 11 4.720 5.654 -0.146 89 H ARG 12 H ARG 12 11.500 3.245 2.581 90 HA ARG 12 HA ARG 12 13.884 4.738 2.615 91 HB2 ARG 12 HB2 ARG 12 13.372 2.773 4.039 92 HB3 ARG 12 HB3 ARG 12 13.472 1.712 2.617 93 HG2 ARG 12 HG2 ARG 12 15.865 2.210 2.370 94 HG3 ARG 12 HG3 ARG 12 15.794 3.356 3.720 95 HD2 ARG 12 HD2 ARG 12 15.300 1.551 5.287 96 HD3 ARG 12 HD3 ARG 12 15.066 0.409 3.966 97 HE ARG 12 HE ARG 12 17.354 0.199 3.650 98 HH11 ARG 12 HH21 ARG 12 16.859 2.688 6.106 99 HH12 ARG 12 HH22 ARG 12 18.545 2.648 6.569 100 HH21 ARG 12 HH11 ARG 12 19.469 0.245 4.290 101 HH22 ARG 12 HH12 ARG 12 19.973 1.308 5.567 102 H GLU 13 H GLU 13 12.734 2.483 0.059 103 HA GLU 13 HA GLU 13 15.197 2.427 -1.437 104 HB2 GLU 13 HB2 GLU 13 13.298 0.816 -1.566 105 HB3 GLU 13 HB3 GLU 13 12.321 2.055 -2.368 106 HG2 GLU 13 HG2 GLU 13 13.919 2.132 -4.244 107 HG3 GLU 13 HG3 GLU 13 14.965 0.972 -3.422 108 H VAL 14 H VAL 14 12.424 4.698 -1.429 109 HA VAL 14 HA VAL 14 13.405 6.199 -3.757 110 HB VAL 14 HB VAL 14 11.442 7.210 -1.677 111 HG11 VAL 14 HG11 VAL 14 11.794 7.819 -4.652 112 HG12 VAL 14 HG12 VAL 14 10.614 8.571 -3.553 113 HG13 VAL 14 HG13 VAL 14 12.343 8.871 -3.334 114 HG21 VAL 14 HG21 VAL 14 10.851 5.530 -4.153 115 HG22 VAL 14 HG22 VAL 14 10.525 5.077 -2.466 116 HG23 VAL 14 HG23 VAL 14 9.634 6.407 -3.199 117 H ASP 15 H ASP 15 13.586 6.574 -0.166 118 HA ASP 15 HA ASP 15 15.139 8.991 -0.200 119 HB2 ASP 15 HB2 ASP 15 14.054 8.086 1.819 120 HB3 ASP 15 HB3 ASP 15 15.151 6.698 1.797 121 H GLU 16 H GLU 16 16.166 5.543 -0.336 122 HA GLU 16 HA GLU 16 18.970 6.005 -0.510 123 HB2 GLU 16 HB2 GLU 16 18.040 3.818 -0.012 124 HB3 GLU 16 HB3 GLU 16 17.220 3.750 -1.576 125 HG2 GLU 16 HG2 GLU 16 19.362 3.696 -2.758 126 HG3 GLU 16 HG3 GLU 16 20.240 3.928 -1.239 127 H ALA 17 H ALA 17 16.479 5.843 -3.176 128 HA ALA 17 HA ALA 17 18.379 6.159 -5.256 129 HB1 ALA 17 HB1 ALA 17 16.431 6.818 -6.621 130 HB2 ALA 17 HB2 ALA 17 16.033 5.433 -5.588 131 HB3 ALA 17 HB3 ALA 17 15.460 7.059 -5.159 132 H ILE 18 H ILE 18 16.597 8.660 -3.359 133 HA ILE 18 HA ILE 18 17.757 10.956 -4.669 134 HB ILE 18 HB ILE 18 16.702 10.566 -1.840 135 HG12 ILE 18 HG12 ILE 18 14.939 10.297 -3.493 136 HG13 ILE 18 HG13 ILE 18 14.727 11.788 -2.597 137 HG21 ILE 18 HG21 ILE 18 16.526 13.095 -1.793 138 HG22 ILE 18 HG22 ILE 18 18.166 12.452 -1.678 139 HG23 ILE 18 HG23 ILE 18 17.588 13.136 -3.210 140 HD11 ILE 18 HD11 ILE 18 15.689 13.048 -4.566 141 HD12 ILE 18 HD12 ILE 18 15.746 11.504 -5.454 142 HD13 ILE 18 HD13 ILE 18 14.195 12.160 -4.909 143 H ASP 19 H ASP 19 18.859 9.146 -1.743 144 HA ASP 19 HA ASP 19 21.229 10.664 -1.318 145 HB2 ASP 19 HB2 ASP 19 20.237 9.203 0.350 146 HB3 ASP 19 HB3 ASP 19 20.501 7.791 -0.675 147 H ASN 20 H ASN 20 20.677 7.829 -3.469 148 HA ASN 20 HA ASN 20 23.450 7.561 -4.143 149 HB2 ASN 20 HB2 ASN 20 21.547 5.817 -4.323 150 HB3 ASN 20 HB3 ASN 20 21.121 6.597 -5.846 151 HD21 ASN 20 HD22 ASN 20 22.016 5.357 -7.538 152 HD22 ASN 20 HD21 ASN 20 23.613 4.626 -7.440 153 H ILE 21 H ILE 21 20.772 9.349 -5.779 154 HA ILE 21 HA ILE 21 22.454 10.370 -7.912 155 HB ILE 21 HB ILE 21 19.831 11.298 -6.691 156 HG12 ILE 21 HG12 ILE 21 20.454 10.437 -9.542 157 HG13 ILE 21 HG13 ILE 21 20.106 9.244 -8.286 158 HG21 ILE 21 HG21 ILE 21 21.521 12.667 -8.827 159 HG22 ILE 21 HG22 ILE 21 19.779 12.948 -8.668 160 HG23 ILE 21 HG23 ILE 21 20.852 13.387 -7.345 161 HD11 ILE 21 HD11 ILE 21 18.202 11.444 -9.168 162 HD12 ILE 21 HD12 ILE 21 18.077 9.713 -9.521 163 HD13 ILE 21 HD13 ILE 21 17.903 10.290 -7.853 164 H LEU 22 H LEU 22 21.646 11.656 -4.661 165 HA LEU 22 HA LEU 22 23.062 14.075 -4.756 166 HB2 LEU 22 HB2 LEU 22 21.452 13.293 -3.018 167 HB3 LEU 22 HB3 LEU 22 22.613 12.086 -2.488 168 HG LEU 22 HG LEU 22 24.182 13.951 -1.853 169 HD11 LEU 22 HD11 LEU 22 23.118 16.165 -1.496 170 HD12 LEU 22 HD12 LEU 22 23.202 15.772 -3.215 171 HD13 LEU 22 HD13 LEU 22 21.657 15.615 -2.347 172 HD21 LEU 22 HD21 LEU 22 22.943 14.488 0.215 173 HD22 LEU 22 HD22 LEU 22 21.436 13.898 -0.522 174 HD23 LEU 22 HD23 LEU 22 22.778 12.776 -0.198 175 H ARG 23 H ARG 23 24.304 10.835 -3.753 176 HA ARG 23 HA ARG 23 27.052 11.697 -3.436 177 HB2 ARG 23 HB2 ARG 23 25.670 9.013 -3.719 178 HB3 ARG 23 HB3 ARG 23 27.440 9.144 -3.654 179 HG2 ARG 23 HG2 ARG 23 27.286 10.321 -1.485 180 HG3 ARG 23 HG3 ARG 23 25.529 10.154 -1.494 181 HD2 ARG 23 HD2 ARG 23 27.466 7.788 -1.589 182 HD3 ARG 23 HD3 ARG 23 26.808 8.473 -0.106 183 HE ARG 23 HE ARG 23 24.631 7.715 -0.623 184 HH11 ARG 23 HH21 ARG 23 26.778 6.538 -3.187 185 HH12 ARG 23 HH22 ARG 23 25.487 5.534 -3.816 186 HH21 ARG 23 HH12 ARG 23 23.318 6.303 -1.258 187 HH22 ARG 23 HH11 ARG 23 23.659 5.191 -2.597 188 H TYR 24 H TYR 24 25.411 10.076 -6.245 189 HA TYR 24 HA TYR 24 27.747 9.858 -7.849 190 HB2 TYR 24 HB2 TYR 24 24.799 10.156 -8.521 191 HB3 TYR 24 HB3 TYR 24 26.021 10.027 -9.761 192 HD1 TYR 24 HD1 TYR 24 26.782 7.903 -6.854 193 HD2 TYR 24 HD2 TYR 24 24.580 8.188 -10.568 194 HE1 TYR 24 HE1 TYR 24 26.574 5.429 -6.934 195 HE2 TYR 24 HE2 TYR 24 24.391 5.709 -10.641 196 HH TYR 24 HH TYR 24 24.902 3.719 -9.602 197 H THR 25 H THR 25 25.527 12.636 -7.447 198 HA THR 25 HA THR 25 27.025 14.251 -9.413 199 HB THR 25 HB THR 25 25.426 16.017 -8.863 200 HG1 THR 25 HG1 THR 25 24.065 14.156 -7.244 201 HG21 THR 25 HG21 THR 25 24.734 14.445 -10.600 202 HG22 THR 25 HG22 THR 25 24.084 13.329 -9.386 203 HG23 THR 25 HG23 THR 25 23.342 14.922 -9.619 204 H ASN 26 H ASN 26 27.735 13.432 -6.280 205 HA ASN 26 HA ASN 26 28.920 14.298 -4.579 206 HB2 ASN 26 HB2 ASN 26 30.399 15.740 -6.811 207 HB3 ASN 26 HB3 ASN 26 31.010 15.452 -5.191 208 HD21 ASN 26 HD22 ASN 26 30.516 14.023 -8.328 209 HD22 ASN 26 HD21 ASN 26 31.217 12.460 -7.923 210 H SER 27 H SER 27 26.498 15.562 -4.841 211 HA SER 27 HA SER 27 27.008 18.489 -4.432 212 HB2 SER 27 HB2 SER 27 24.802 18.830 -5.345 213 HB3 SER 27 HB3 SER 27 25.723 17.803 -6.454 214 HG SER 27 HG SER 27 24.367 16.200 -6.072 215 H THR 28 H THR 28 25.148 19.589 -3.262 216 HA THR 28 HA THR 28 24.255 18.012 -0.874 217 HB THR 28 HB THR 28 25.590 19.876 -0.153 218 HG1 THR 28 HG1 THR 28 24.068 20.622 1.295 219 HG21 THR 28 HG21 THR 28 25.258 21.537 -1.918 220 HG22 THR 28 HG22 THR 28 23.529 21.680 -1.499 221 HG23 THR 28 HG23 THR 28 24.777 22.201 -0.356 222 H GLU 29 H GLU 29 22.011 18.196 -0.257 223 HA GLU 29 HA GLU 29 20.405 17.789 -2.555 224 HB2 GLU 29 HB2 GLU 29 18.506 17.559 -0.922 225 HB3 GLU 29 HB3 GLU 29 19.898 16.504 -0.701 226 HG2 GLU 29 HG2 GLU 29 20.703 17.844 1.166 227 HG3 GLU 29 HG3 GLU 29 19.450 19.053 0.890 228 H GLN 30 H GLN 30 20.891 20.812 -0.846 229 HA GLN 30 HA GLN 30 18.619 22.195 -2.005 230 HB2 GLN 30 HB2 GLN 30 21.330 23.201 -1.041 231 HB3 GLN 30 HB3 GLN 30 19.970 24.232 -1.514 232 HG2 GLN 30 HG2 GLN 30 18.567 23.213 0.268 233 HG3 GLN 30 HG3 GLN 30 19.929 22.213 0.778 234 HE21 GLN 30 HE22 GLN 30 18.987 23.619 2.804 235 HE22 GLN 30 HE21 GLN 30 19.962 25.051 3.111 236 H GLN 31 H GLN 31 21.866 21.382 -3.285 237 HA GLN 31 HA GLN 31 21.603 23.058 -5.686 238 HB2 GLN 31 HB2 GLN 31 23.427 20.713 -5.047 239 HB3 GLN 31 HB3 GLN 31 23.536 21.724 -6.484 240 HG2 GLN 31 HG2 GLN 31 24.146 23.671 -5.226 241 HG3 GLN 31 HG3 GLN 31 23.818 22.883 -3.686 242 HE21 GLN 31 HE22 GLN 31 26.404 24.093 -4.716 243 HE22 GLN 31 HE21 GLN 31 27.546 22.767 -4.558 244 H PHE 32 H PHE 32 21.058 19.593 -4.847 245 HA PHE 32 HA PHE 32 20.173 18.812 -7.462 246 HB2 PHE 32 HB2 PHE 32 20.916 17.274 -5.680 247 HB3 PHE 32 HB3 PHE 32 19.497 17.689 -4.732 248 HD1 PHE 32 HD1 PHE 32 18.828 17.221 -8.349 249 HD2 PHE 32 HD2 PHE 32 19.333 15.194 -4.570 250 HE1 PHE 32 HE1 PHE 32 17.571 15.289 -9.215 251 HE2 PHE 32 HE2 PHE 32 18.089 13.240 -5.469 252 HZ PHE 32 HZ PHE 32 17.157 13.309 -7.772 253 H LEU 33 H LEU 33 18.308 20.094 -4.642 254 HA LEU 33 HA LEU 33 15.778 20.145 -5.899 255 HB2 LEU 33 HB2 LEU 33 16.259 20.517 -3.506 256 HB3 LEU 33 HB3 LEU 33 16.956 22.076 -3.856 257 HG LEU 33 HG LEU 33 14.671 22.138 -2.867 258 HD11 LEU 33 HD11 LEU 33 14.574 23.399 -5.620 259 HD12 LEU 33 HD12 LEU 33 13.771 23.902 -4.134 260 HD13 LEU 33 HD13 LEU 33 15.534 24.039 -4.261 261 HD21 LEU 33 HD21 LEU 33 13.683 21.103 -5.555 262 HD22 LEU 33 HD22 LEU 33 13.719 20.162 -4.040 263 HD23 LEU 33 HD23 LEU 33 12.707 21.613 -4.168 264 H GLU 34 H GLU 34 18.278 22.726 -5.895 265 HA GLU 34 HA GLU 34 16.842 24.508 -7.568 266 HB2 GLU 34 HB2 GLU 34 18.812 25.083 -6.168 267 HB3 GLU 34 HB3 GLU 34 19.857 24.191 -7.283 268 HG2 GLU 34 HG2 GLU 34 19.257 25.749 -9.109 269 HG3 GLU 34 HG3 GLU 34 18.117 26.576 -8.042 270 H ALA 35 H ALA 35 19.111 21.901 -8.515 271 HA ALA 35 HA ALA 35 18.994 22.434 -11.331 272 HB1 ALA 35 HB1 ALA 35 20.002 20.209 -11.530 273 HB2 ALA 35 HB2 ALA 35 20.765 21.113 -10.216 274 HB3 ALA 35 HB3 ALA 35 19.588 19.833 -9.841 275 H MET 36 H MET 36 16.968 20.305 -9.237 276 HA MET 36 HA MET 36 15.309 19.319 -11.406 277 HB2 MET 36 HB2 MET 36 15.025 19.437 -8.380 278 HB3 MET 36 HB3 MET 36 13.777 18.746 -9.413 279 HG2 MET 36 HG2 MET 36 16.669 17.838 -9.558 280 HG3 MET 36 HG3 MET 36 15.520 17.131 -8.439 281 HE1 MET 36 HE1 MET 36 13.922 15.303 -8.926 282 HE2 MET 36 HE2 MET 36 12.895 16.577 -9.608 283 HE3 MET 36 HE3 MET 36 13.111 15.059 -10.497 284 H GLU 37 H GLU 37 14.916 22.086 -9.130 285 HA GLU 37 HA GLU 37 12.372 22.922 -10.116 286 HB2 GLU 37 HB2 GLU 37 13.641 23.629 -7.979 287 HB3 GLU 37 HB3 GLU 37 14.591 24.690 -9.011 288 HG2 GLU 37 HG2 GLU 37 12.994 26.129 -8.203 289 HG3 GLU 37 HG3 GLU 37 12.250 25.680 -9.731 290 H SER 38 H SER 38 15.702 23.731 -11.195 291 HA SER 38 HA SER 38 14.910 25.642 -13.201 292 HB2 SER 38 HB2 SER 38 17.455 23.977 -13.001 293 HB3 SER 38 HB3 SER 38 17.214 25.410 -14.014 294 HG SER 38 HG SER 38 17.273 25.220 -11.184 295 H THR 39 H THR 39 14.870 22.147 -13.263 296 HA THR 39 HA THR 39 14.661 22.117 -16.256 297 HB THR 39 HB THR 39 15.249 19.719 -16.072 298 HG1 THR 39 HG1 THR 39 16.059 20.239 -13.441 299 HG21 THR 39 HG21 THR 39 17.049 21.298 -16.514 300 HG22 THR 39 HG22 THR 39 17.258 21.619 -14.784 301 HG23 THR 39 HG23 THR 39 17.613 20.003 -15.428 302 H GLY 40 H GLY 40 12.557 22.113 -13.670 303 HA2 GLY 40 HA2 GLY 40 10.307 21.616 -13.573 304 HA3 GLY 40 HA3 GLY 40 10.349 21.065 -15.252 305 H GLY 41 H GLY 41 12.446 19.737 -12.702 306 HA2 GLY 41 HA2 GLY 41 12.413 17.750 -11.556 307 HA3 GLY 41 HA3 GLY 41 10.780 17.417 -12.139 308 H ARG 42 H ARG 42 13.203 18.010 -14.620 309 HA ARG 42 HA ARG 42 13.013 15.182 -15.518 310 HB2 ARG 42 HB2 ARG 42 14.069 17.785 -16.655 311 HB3 ARG 42 HB3 ARG 42 14.709 16.281 -17.292 312 HG2 ARG 42 HG2 ARG 42 11.726 16.840 -17.163 313 HG3 ARG 42 HG3 ARG 42 12.751 17.275 -18.544 314 HD2 ARG 42 HD2 ARG 42 13.491 14.817 -18.618 315 HD3 ARG 42 HD3 ARG 42 12.172 14.462 -17.508 316 HE ARG 42 HE ARG 42 12.011 15.116 -20.351 317 HH11 ARG 42 HH22 ARG 42 10.030 15.094 -17.444 318 HH12 ARG 42 HH21 ARG 42 8.553 15.018 -18.365 319 HH21 ARG 42 HH12 ARG 42 10.098 15.029 -21.430 320 HH22 ARG 42 HH11 ARG 42 8.593 14.995 -20.560 321 H VAL 43 H VAL 43 14.027 14.001 -13.962 322 HA VAL 43 HA VAL 43 16.320 14.622 -12.509 323 HB VAL 43 HB VAL 43 15.535 11.821 -13.420 324 HG11 VAL 43 HG11 VAL 43 17.777 11.844 -12.349 325 HG12 VAL 43 HG12 VAL 43 17.128 12.799 -10.995 326 HG13 VAL 43 HG13 VAL 43 16.588 11.127 -11.264 327 HG21 VAL 43 HG21 VAL 43 14.266 11.683 -11.335 328 HG22 VAL 43 HG22 VAL 43 14.706 13.362 -10.928 329 HG23 VAL 43 HG23 VAL 43 13.642 13.018 -12.307 330 H ARG 44 H ARG 44 16.317 12.941 -15.715 331 HA ARG 44 HA ARG 44 19.132 12.573 -15.823 332 HB2 ARG 44 HB2 ARG 44 18.852 12.099 -18.135 333 HB3 ARG 44 HB3 ARG 44 17.526 11.389 -17.228 334 HG2 ARG 44 HG2 ARG 44 16.056 13.350 -17.991 335 HG3 ARG 44 HG3 ARG 44 17.407 13.867 -19.007 336 HD2 ARG 44 HD2 ARG 44 15.995 11.173 -19.161 337 HD3 ARG 44 HD3 ARG 44 15.710 12.527 -20.245 338 HE ARG 44 HE ARG 44 18.013 10.689 -20.210 339 HH11 ARG 44 HH12 ARG 44 16.803 13.665 -21.631 340 HH12 ARG 44 HH11 ARG 44 17.965 13.621 -22.925 341 HH21 ARG 44 HH21 ARG 44 19.461 10.701 -21.869 342 HH22 ARG 44 HH22 ARG 44 19.431 11.973 -23.055 343 H ILE 45 H ILE 45 17.243 15.425 -16.791 344 HA ILE 45 HA ILE 45 19.582 16.788 -17.939 345 HB ILE 45 HB ILE 45 16.869 17.973 -17.239 346 HG12 ILE 45 HG12 ILE 45 17.844 16.754 -19.871 347 HG13 ILE 45 HG13 ILE 45 16.590 16.090 -18.832 348 HG21 ILE 45 HG21 ILE 45 17.506 19.751 -18.811 349 HG22 ILE 45 HG22 ILE 45 18.770 19.619 -17.598 350 HG23 ILE 45 HG23 ILE 45 19.020 18.914 -19.204 351 HD11 ILE 45 HD11 ILE 45 15.475 17.141 -20.637 352 HD12 ILE 45 HD12 ILE 45 15.214 18.172 -19.217 353 HD13 ILE 45 HD13 ILE 45 16.402 18.630 -20.466 354 H ALA 46 H ALA 46 17.781 16.823 -14.852 355 HA ALA 46 HA ALA 46 19.156 18.994 -13.637 356 HB1 ALA 46 HB1 ALA 46 17.853 16.542 -12.361 357 HB2 ALA 46 HB2 ALA 46 18.222 18.081 -11.552 358 HB3 ALA 46 HB3 ALA 46 17.008 18.025 -12.842 359 H ILE 47 H ILE 47 19.830 15.421 -13.406 360 HA ILE 47 HA ILE 47 22.253 15.871 -11.907 361 HB ILE 47 HB ILE 47 22.751 13.558 -12.131 362 HG12 ILE 47 HG12 ILE 47 20.629 13.417 -14.287 363 HG13 ILE 47 HG13 ILE 47 22.355 13.145 -14.472 364 HG21 ILE 47 HG21 ILE 47 20.968 14.334 -10.574 365 HG22 ILE 47 HG22 ILE 47 19.745 13.861 -11.759 366 HG23 ILE 47 HG23 ILE 47 20.810 12.639 -11.059 367 HD11 ILE 47 HD11 ILE 47 22.173 11.154 -12.950 368 HD12 ILE 47 HD12 ILE 47 20.402 11.372 -12.964 369 HD13 ILE 47 HD13 ILE 47 21.264 11.015 -14.466 370 H ALA 48 H ALA 48 21.663 15.528 -15.459 371 HA ALA 48 HA ALA 48 24.377 15.595 -16.257 372 HB1 ALA 48 HB1 ALA 48 21.861 16.709 -17.579 373 HB2 ALA 48 HB2 ALA 48 23.426 16.480 -18.399 374 HB3 ALA 48 HB3 ALA 48 22.545 15.080 -17.772 375 H LYS 49 H LYS 49 22.180 18.418 -15.677 376 HA LYS 49 HA LYS 49 24.236 20.390 -16.267 377 HB2 LYS 49 HB2 LYS 49 21.506 20.554 -14.940 378 HB3 LYS 49 HB3 LYS 49 22.596 21.954 -15.119 379 HG2 LYS 49 HG2 LYS 49 22.817 21.409 -17.561 380 HG3 LYS 49 HG3 LYS 49 21.547 20.197 -17.388 381 HD2 LYS 49 HD2 LYS 49 19.910 21.926 -16.816 382 HD3 LYS 49 HD3 LYS 49 21.197 23.158 -16.720 383 HE2 LYS 49 HE2 LYS 49 21.825 22.647 -19.078 384 HE3 LYS 49 HE3 LYS 49 20.459 21.537 -19.200 385 HZ1 LYS 49 HZ1 LYS 49 18.959 23.455 -18.778 386 HZ2 LYS 49 HZ2 LYS 49 20.240 24.473 -18.693 387 HZ3 LYS 49 HZ3 LYS 49 19.875 23.726 -20.099 388 H LEU 50 H LEU 50 23.071 18.923 -13.209 389 HA LEU 50 HA LEU 50 24.752 20.476 -11.503 390 HB2 LEU 50 HB2 LEU 50 22.713 19.229 -10.880 391 HB3 LEU 50 HB3 LEU 50 23.553 17.702 -11.165 392 HG LEU 50 HG LEU 50 25.024 18.115 -9.252 393 HD11 LEU 50 HD11 LEU 50 25.226 20.563 -9.279 394 HD12 LEU 50 HD12 LEU 50 23.492 20.737 -8.911 395 HD13 LEU 50 HD13 LEU 50 24.607 20.012 -7.725 396 HD21 LEU 50 HD21 LEU 50 22.081 18.677 -8.664 397 HD22 LEU 50 HD22 LEU 50 22.770 17.071 -8.957 398 HD23 LEU 50 HD23 LEU 50 23.248 17.992 -7.518 399 H LEU 51 H LEU 51 25.405 17.373 -13.207 400 HA LEU 51 HA LEU 51 28.087 17.050 -12.174 401 HB2 LEU 51 HB2 LEU 51 26.632 16.040 -14.642 402 HB3 LEU 51 HB3 LEU 51 28.316 15.649 -14.343 403 HG LEU 51 HG LEU 51 26.143 15.021 -12.315 404 HD11 LEU 51 HD11 LEU 51 27.296 13.209 -14.484 405 HD12 LEU 51 HD12 LEU 51 26.173 12.722 -13.189 406 HD13 LEU 51 HD13 LEU 51 25.641 13.858 -14.434 407 HD21 LEU 51 HD21 LEU 51 27.805 13.355 -11.525 408 HD22 LEU 51 HD22 LEU 51 28.969 13.956 -12.719 409 HD23 LEU 51 HD23 LEU 51 28.422 15.005 -11.396 410 H SER 52 H SER 52 26.835 18.700 -15.142 411 HA SER 52 HA SER 52 29.361 19.554 -16.124 412 HB2 SER 52 HB2 SER 52 27.181 19.671 -17.336 413 HB3 SER 52 HB3 SER 52 26.707 21.037 -16.308 414 HG SER 52 HG SER 52 27.669 21.686 -18.339 415 H LYS 53 H LYS 53 27.233 21.059 -13.697 416 HA LYS 53 HA LYS 53 29.101 23.265 -13.155 417 HB2 LYS 53 HB2 LYS 53 26.408 22.509 -11.962 418 HB3 LYS 53 HB3 LYS 53 27.344 23.935 -11.496 419 HG2 LYS 53 HG2 LYS 53 27.314 24.751 -13.840 420 HG3 LYS 53 HG3 LYS 53 26.298 23.379 -14.307 421 HD2 LYS 53 HD2 LYS 53 24.536 24.133 -12.731 422 HD3 LYS 53 HD3 LYS 53 25.569 25.491 -12.224 423 HE2 LYS 53 HE2 LYS 53 25.607 26.305 -14.600 424 HE3 LYS 53 HE3 LYS 53 24.503 24.999 -15.048 425 HZ1 LYS 53 HZ1 LYS 53 22.852 25.972 -13.505 426 HZ2 LYS 53 HZ2 LYS 53 23.889 27.177 -13.101 427 HZ3 LYS 53 HZ3 LYS 53 23.304 27.079 -14.617 428 H GLN 54 H GLN 54 29.655 20.244 -12.346 429 HA GLN 54 HA GLN 54 30.037 20.386 -9.486 430 HB2 GLN 54 HB2 GLN 54 29.557 18.331 -10.929 431 HB3 GLN 54 HB3 GLN 54 31.259 18.368 -11.390 432 HG2 GLN 54 HG2 GLN 54 31.727 18.243 -8.813 433 HG3 GLN 54 HG3 GLN 54 30.010 17.887 -8.653 434 HE21 GLN 54 HE22 GLN 54 33.055 16.753 -10.238 435 HE22 GLN 54 HE21 GLN 54 32.538 15.076 -10.336 436 H THR 55 H THR 55 31.218 22.583 -10.402 437 HA THR 55 HA THR 55 33.994 22.443 -9.475 438 HB THR 55 HB THR 55 34.157 21.835 -11.870 439 HG1 THR 55 HG1 THR 55 35.254 24.364 -11.201 440 HG21 THR 55 HG21 THR 55 32.257 23.081 -12.803 441 HG22 THR 55 HG22 THR 55 33.085 24.620 -12.477 442 HG23 THR 55 HG23 THR 55 33.762 23.465 -13.640 443 H SER 56 H SER 56 31.042 24.150 -9.922 444 HA SER 56 HA SER 56 32.197 26.828 -9.803 445 HB2 SER 56 HB2 SER 56 29.293 25.972 -9.951 446 HB3 SER 56 HB3 SER 56 29.965 27.580 -10.298 447 HG SER 56 HG SER 56 29.655 26.455 -12.236 448 H GLY 57 H GLY 57 31.906 24.855 -7.293 449 HA2 GLY 57 HA2 GLY 57 30.190 26.140 -5.412 450 HA3 GLY 57 HA3 GLY 57 31.529 25.069 -5.023 451 H GLY 58 H GLY 58 30.609 27.506 -3.663 452 HA2 GLY 58 HA2 GLY 58 32.436 29.696 -4.148 453 HA3 GLY 58 HA3 GLY 58 31.354 29.514 -2.773 454 H SER 59 H SER 59 33.929 30.597 -2.613 455 HA SER 59 HA SER 59 35.749 28.602 -1.449 456 HB2 SER 59 HB2 SER 59 37.320 30.495 -1.355 457 HB3 SER 59 HB3 SER 59 36.648 30.243 -2.972 458 HG SER 59 HG SER 59 36.636 32.475 -2.360 459 H GLY 60 H GLY 60 33.248 30.510 -0.176 460 HA2 GLY 60 HA2 GLY 60 34.369 31.348 2.329 461 HA3 GLY 60 HA3 GLY 60 32.658 31.220 1.941 462 H GLY 61 H GLY 61 33.618 30.670 4.457 463 HA2 GLY 61 HA2 GLY 61 34.016 27.841 4.983 464 HA3 GLY 61 HA3 GLY 61 33.694 29.104 6.163 465 H SER 62 H SER 62 32.609 26.772 6.681 466 HA SER 62 HA SER 62 29.686 27.137 6.324 467 HB2 SER 62 HB2 SER 62 29.385 24.747 5.852 468 HB3 SER 62 HB3 SER 62 30.343 25.543 4.596 469 HG SER 62 HG SER 62 31.270 23.530 5.231 470 H LYS 63 H LYS 63 28.396 25.836 7.834 471 HA LYS 63 HA LYS 63 29.354 26.057 10.549 472 HB2 LYS 63 HB2 LYS 63 26.992 26.414 9.858 473 HB3 LYS 63 HB3 LYS 63 26.869 24.730 9.386 474 HG2 LYS 63 HG2 LYS 63 25.775 25.043 11.510 475 HG3 LYS 63 HG3 LYS 63 27.164 23.999 11.714 476 HD2 LYS 63 HD2 LYS 63 26.985 25.531 13.597 477 HD3 LYS 63 HD3 LYS 63 28.463 25.835 12.712 478 HE2 LYS 63 HE2 LYS 63 27.549 27.953 13.317 479 HE3 LYS 63 HE3 LYS 63 27.371 27.796 11.571 480 HZ1 LYS 63 HZ1 LYS 63 25.343 28.650 12.635 481 HZ2 LYS 63 HZ2 LYS 63 25.006 27.214 11.948 482 HZ3 LYS 63 HZ3 LYS 63 25.203 27.326 13.572 483 H LEU 64 H LEU 64 30.119 24.567 11.943 484 HA LEU 64 HA LEU 64 30.249 21.684 11.179 485 HB2 LEU 64 HB2 LEU 64 32.419 23.377 12.480 486 HB3 LEU 64 HB3 LEU 64 32.482 21.626 12.335 487 HG LEU 64 HG LEU 64 32.402 23.543 9.961 488 HD11 LEU 64 HD11 LEU 64 34.777 22.982 9.689 489 HD12 LEU 64 HD12 LEU 64 34.488 23.749 11.258 490 HD13 LEU 64 HD13 LEU 64 34.729 21.989 11.166 491 HD21 LEU 64 HD21 LEU 64 32.946 20.543 10.107 492 HD22 LEU 64 HD22 LEU 64 31.520 21.314 9.376 493 HD23 LEU 64 HD23 LEU 64 33.111 21.556 8.657 494 H GLY 65 H GLY 65 30.091 20.191 12.843 495 HA2 GLY 65 HA2 GLY 65 29.494 19.316 14.894 496 HA3 GLY 65 HA3 GLY 65 29.865 20.864 15.639 497 H GLY 66 H GLY 66 28.015 20.133 16.974 498 HA2 GLY 66 HA2 GLY 66 25.903 20.718 17.757 499 HA3 GLY 66 HA3 GLY 66 25.516 21.455 16.210 500 H SER 67 H SER 67 23.499 20.258 17.224 501 HA SER 67 HA SER 67 23.236 17.431 16.979 502 HB2 SER 67 HB2 SER 67 21.065 19.560 16.983 503 HB3 SER 67 HB3 SER 67 20.842 17.831 17.309 504 HG SER 67 HG SER 67 21.040 19.069 19.255 505 H GLY 68 H GLY 68 22.052 16.133 15.552 506 HA2 GLY 68 HA2 GLY 68 22.168 16.761 12.721 507 HA3 GLY 68 HA3 GLY 68 21.487 15.317 13.464 508 H GLY 69 H GLY 69 20.161 16.047 11.382 509 HA2 GLY 69 HA2 GLY 69 18.086 18.017 11.654 510 HA3 GLY 69 HA3 GLY 69 18.129 16.698 10.492 511 H SER 70 H SER 70 15.778 17.635 11.706 512 HA SER 70 HA SER 70 14.994 15.925 13.930 513 HB2 SER 70 HB2 SER 70 12.818 17.093 13.661 514 HB3 SER 70 HB3 SER 70 14.208 18.177 13.843 515 HG SER 70 HG SER 70 12.993 18.957 12.140 516 H ARG 71 H ARG 71 14.830 15.576 10.483 517 HA ARG 71 HA ARG 71 12.725 13.483 10.577 518 HB2 ARG 71 HB2 ARG 71 14.279 14.753 8.281 519 HB3 ARG 71 HB3 ARG 71 13.184 13.378 8.080 520 HG2 ARG 71 HG2 ARG 71 11.339 14.700 9.100 521 HG3 ARG 71 HG3 ARG 71 12.396 16.117 9.179 522 HD2 ARG 71 HD2 ARG 71 11.799 14.631 6.584 523 HD3 ARG 71 HD3 ARG 71 10.761 15.909 7.185 524 HE ARG 71 HE ARG 71 13.452 16.212 6.023 525 HH11 ARG 71 HH11 ARG 71 11.020 17.874 7.960 526 HH12 ARG 71 HH12 ARG 71 11.371 19.407 7.178 527 HH21 ARG 71 HH21 ARG 71 13.887 18.247 5.194 528 HH22 ARG 71 HH22 ARG 71 13.067 19.639 5.871 529 H LYS 72 H LYS 72 13.001 11.395 9.815 530 HA LYS 72 HA LYS 72 15.689 10.170 9.742 531 HB2 LYS 72 HB2 LYS 72 15.195 8.589 11.538 532 HB3 LYS 72 HB3 LYS 72 15.159 10.240 12.139 533 HG2 LYS 72 HG2 LYS 72 12.671 10.227 12.075 534 HG3 LYS 72 HG3 LYS 72 12.695 8.568 11.450 535 HD2 LYS 72 HD2 LYS 72 13.852 7.807 13.506 536 HD3 LYS 72 HD3 LYS 72 13.821 9.469 14.140 537 HE2 LYS 72 HE2 LYS 72 11.331 9.454 14.026 538 HE3 LYS 72 HE3 LYS 72 11.365 7.805 13.390 539 HZ1 LYS 72 HZ1 LYS 72 12.369 8.613 16.079 540 HZ2 LYS 72 HZ2 LYS 72 10.976 7.819 15.794 541 HZ3 LYS 72 HZ3 LYS 72 12.401 7.087 15.492 542 H ASP 73 H ASP 73 15.561 7.794 9.328 543 HA ASP 73 HA ASP 73 13.883 7.280 7.031 544 HB2 ASP 73 HB2 ASP 73 16.227 6.492 7.311 545 HB3 ASP 73 HB3 ASP 73 15.685 5.406 8.596 546 H LEU 74 H LEU 74 12.592 5.287 6.764 547 HA LEU 74 HA LEU 74 10.842 4.716 9.104 548 HB2 LEU 74 HB2 LEU 74 8.894 5.356 7.987 549 HB3 LEU 74 HB3 LEU 74 10.014 6.690 7.793 550 HG LEU 74 HG LEU 74 9.295 4.620 5.660 551 HD11 LEU 74 HD11 LEU 74 8.093 6.476 4.599 552 HD12 LEU 74 HD12 LEU 74 7.472 6.183 6.229 553 HD13 LEU 74 HD13 LEU 74 8.555 7.558 5.932 554 HD21 LEU 74 HD21 LEU 74 10.408 6.250 4.076 555 HD22 LEU 74 HD22 LEU 74 11.083 7.081 5.489 556 HD23 LEU 74 HD23 LEU 74 11.522 5.390 5.136 557 H SER 75 H SER 75 9.311 3.016 8.854 558 HA SER 75 HA SER 75 10.037 0.874 6.888 559 HB2 SER 75 HB2 SER 75 9.431 0.571 9.845 560 HB3 SER 75 HB3 SER 75 9.584 -0.765 8.680 561 HG SER 75 HG SER 75 11.560 -0.336 9.813 562 H VAL 76 H VAL 76 8.367 1.456 5.503 563 HA VAL 76 HA VAL 76 5.616 0.697 6.396 564 HB VAL 76 HB VAL 76 4.659 2.463 5.013 565 HG11 VAL 76 HG11 VAL 76 5.076 2.888 7.421 566 HG12 VAL 76 HG12 VAL 76 6.623 3.659 7.002 567 HG13 VAL 76 HG13 VAL 76 5.094 4.360 6.437 568 HG21 VAL 76 HG21 VAL 76 7.496 3.511 4.631 569 HG22 VAL 76 HG22 VAL 76 6.469 2.804 3.366 570 HG23 VAL 76 HG23 VAL 76 5.994 4.323 4.145 571 H LYS 77 H LYS 77 4.164 0.227 4.478 572 HA LYS 77 HA LYS 77 5.675 -1.212 2.317 573 HB2 LYS 77 HB2 LYS 77 3.062 -1.999 3.665 574 HB3 LYS 77 HB3 LYS 77 3.839 -2.849 2.321 575 HG2 LYS 77 HG2 LYS 77 5.827 -3.294 3.747 576 HG3 LYS 77 HG3 LYS 77 5.036 -2.461 5.100 577 HD2 LYS 77 HD2 LYS 77 3.192 -4.116 5.058 578 HD3 LYS 77 HD3 LYS 77 3.985 -4.965 3.710 579 HE2 LYS 77 HE2 LYS 77 5.976 -5.378 5.132 580 HE3 LYS 77 HE3 LYS 77 5.220 -4.504 6.470 581 HZ1 LYS 77 HZ1 LYS 77 4.165 -7.019 5.262 582 HZ2 LYS 77 HZ2 LYS 77 4.915 -6.901 6.708 583 HZ3 LYS 77 HZ3 LYS 77 3.455 -6.203 6.492 584 H GLY 78 H GLY 78 5.129 -0.912 0.264 585 HA2 GLY 78 HA2 GLY 78 2.486 0.033 -0.605 586 HA3 GLY 78 HA3 GLY 78 3.799 1.182 -0.844 587 H MET 79 H MET 79 2.718 0.677 -3.071 588 HA MET 79 HA MET 79 3.711 -1.713 -4.471 589 HB2 MET 79 HB2 MET 79 2.206 0.745 -5.454 590 HB3 MET 79 HB3 MET 79 2.609 -0.661 -6.445 591 HG2 MET 79 HG2 MET 79 1.339 -2.120 -4.883 592 HG3 MET 79 HG3 MET 79 0.834 -0.699 -3.974 593 HE1 MET 79 HE1 MET 79 0.100 1.501 -6.205 594 HE2 MET 79 HE2 MET 79 -1.624 1.129 -6.383 595 HE3 MET 79 HE3 MET 79 -0.871 1.088 -4.774 596 H LEU 80 H LEU 80 4.957 -1.568 -6.474 597 HA LEU 80 HA LEU 80 7.491 -0.472 -6.064 598 HB2 LEU 80 HB2 LEU 80 6.982 -2.426 -7.455 599 HB3 LEU 80 HB3 LEU 80 6.164 -1.394 -8.632 600 HG LEU 80 HG LEU 80 8.326 -0.251 -9.127 601 HD11 LEU 80 HD11 LEU 80 9.552 -0.605 -7.011 602 HD12 LEU 80 HD12 LEU 80 9.505 -2.361 -7.268 603 HD13 LEU 80 HD13 LEU 80 10.441 -1.315 -8.357 604 HD21 LEU 80 HD21 LEU 80 9.334 -2.135 -10.345 605 HD22 LEU 80 HD22 LEU 80 8.405 -3.287 -9.359 606 HD23 LEU 80 HD23 LEU 80 7.569 -2.179 -10.470 607 H TYR 81 H TYR 81 8.375 1.482 -6.303 608 HA TYR 81 HA TYR 81 6.815 3.704 -7.177 609 HB2 TYR 81 HB2 TYR 81 9.772 3.669 -6.500 610 HB3 TYR 81 HB3 TYR 81 8.679 5.039 -6.428 611 HD1 TYR 81 HD2 TYR 81 6.548 4.712 -4.846 612 HD2 TYR 81 HD1 TYR 81 10.225 2.477 -4.508 613 HE1 TYR 81 HE2 TYR 81 5.952 4.096 -2.518 614 HE2 TYR 81 HE1 TYR 81 9.625 1.865 -2.169 615 HH TYR 81 HH TYR 81 6.564 2.939 -0.636 616 H ASP 82 H ASP 82 9.463 1.960 -8.716 617 HA ASP 82 HA ASP 82 10.578 2.092 -10.652 618 HB2 ASP 82 HB2 ASP 82 8.266 1.990 -11.602 619 HB3 ASP 82 HB3 ASP 82 8.289 3.749 -11.754 620 H SER 83 H SER 83 11.607 3.657 -12.312 621 HA SER 83 HA SER 83 12.989 5.777 -10.825 622 HB2 SER 83 HB2 SER 83 13.304 4.818 -13.692 623 HB3 SER 83 HB3 SER 83 14.336 6.011 -12.890 624 HG SER 83 HG SER 83 13.986 3.277 -12.116 625 H ASP 84 H ASP 84 10.478 6.536 -10.794 626 HA ASP 84 HA ASP 84 9.633 8.153 -13.070 627 HB2 ASP 84 HB2 ASP 84 8.003 6.825 -11.967 628 HB3 ASP 84 HB3 ASP 84 8.490 7.419 -10.376 629 H SER 85 H SER 85 9.778 10.281 -13.345 630 HA SER 85 HA SER 85 11.469 11.959 -11.818 631 HB2 SER 85 HB2 SER 85 10.414 13.784 -13.232 632 HB3 SER 85 HB3 SER 85 11.092 12.424 -14.138 633 HG SER 85 HG SER 85 8.989 12.974 -14.904 634 H GLN 86 H GLN 86 7.875 11.729 -11.774 635 HA GLN 86 HA GLN 86 7.575 14.058 -10.124 636 HB2 GLN 86 HB2 GLN 86 5.632 11.777 -10.696 637 HB3 GLN 86 HB3 GLN 86 5.218 13.298 -9.895 638 HG2 GLN 86 HG2 GLN 86 5.927 14.552 -11.934 639 HG3 GLN 86 HG3 GLN 86 6.274 13.025 -12.749 640 HE21 GLN 86 HE22 GLN 86 3.595 14.959 -11.279 641 HE22 GLN 86 HE21 GLN 86 2.348 14.172 -12.232 642 H GLN 87 H GLN 87 7.541 10.552 -9.206 643 HA GLN 87 HA GLN 87 7.149 11.095 -6.394 644 HB2 GLN 87 HB2 GLN 87 8.297 8.745 -7.933 645 HB3 GLN 87 HB3 GLN 87 8.159 8.743 -6.172 646 HG2 GLN 87 HG2 GLN 87 5.791 8.864 -6.205 647 HG3 GLN 87 HG3 GLN 87 5.735 9.333 -7.910 648 HE21 GLN 87 HE22 GLN 87 6.507 7.755 -9.497 649 HE22 GLN 87 HE21 GLN 87 6.513 6.021 -9.120 650 H ILE 88 H ILE 88 10.178 10.765 -8.343 651 HA ILE 88 HA ILE 88 11.927 11.111 -6.074 652 HB ILE 88 HB ILE 88 12.208 11.114 -9.056 653 HG12 ILE 88 HG12 ILE 88 14.078 9.607 -8.502 654 HG13 ILE 88 HG13 ILE 88 13.852 9.936 -6.782 655 HG21 ILE 88 HG21 ILE 88 14.617 11.802 -8.903 656 HG22 ILE 88 HG22 ILE 88 13.466 13.120 -8.691 657 HG23 ILE 88 HG23 ILE 88 14.300 12.430 -7.276 658 HD11 ILE 88 HD11 ILE 88 12.960 7.736 -7.421 659 HD12 ILE 88 HD12 ILE 88 11.644 8.785 -6.866 660 HD13 ILE 88 HD13 ILE 88 11.878 8.495 -8.606 661 H LEU 89 H LEU 89 10.608 13.534 -8.396 662 HA LEU 89 HA LEU 89 11.749 15.804 -7.128 663 HB2 LEU 89 HB2 LEU 89 10.636 15.877 -9.343 664 HB3 LEU 89 HB3 LEU 89 9.102 15.426 -8.611 665 HG LEU 89 HG LEU 89 9.050 17.606 -7.375 666 HD11 LEU 89 HD11 LEU 89 10.544 19.421 -8.062 667 HD12 LEU 89 HD12 LEU 89 11.489 18.116 -7.341 668 HD13 LEU 89 HD13 LEU 89 11.449 18.325 -9.113 669 HD21 LEU 89 HD21 LEU 89 8.507 18.972 -9.327 670 HD22 LEU 89 HD22 LEU 89 9.351 17.824 -10.389 671 HD23 LEU 89 HD23 LEU 89 7.887 17.326 -9.516 672 H ASN 90 H ASN 90 8.554 14.238 -6.413 673 HA ASN 90 HA ASN 90 7.874 16.031 -4.296 674 HB2 ASN 90 HB2 ASN 90 6.998 13.225 -5.053 675 HB3 ASN 90 HB3 ASN 90 6.522 13.906 -3.506 676 HD21 ASN 90 HD21 ASN 90 6.213 14.378 -7.026 677 HD22 ASN 90 HD22 ASN 90 4.825 15.460 -6.873 678 H ARG 91 H ARG 91 9.625 12.836 -4.056 679 HA ARG 91 HA ARG 91 9.939 13.142 -1.211 680 HB2 ARG 91 HB2 ARG 91 10.048 10.965 -2.387 681 HB3 ARG 91 HB3 ARG 91 11.549 11.442 -3.170 682 HG2 ARG 91 HG2 ARG 91 11.839 9.911 -1.208 683 HG3 ARG 91 HG3 ARG 91 12.764 11.394 -1.094 684 HD2 ARG 91 HD2 ARG 91 11.640 10.573 1.058 685 HD3 ARG 91 HD3 ARG 91 11.449 12.263 0.645 686 HE ARG 91 HE ARG 91 9.164 11.996 0.516 687 HH11 ARG 91 HH11 ARG 91 10.414 8.714 0.262 688 HH12 ARG 91 HH12 ARG 91 8.808 8.086 -0.039 689 HH21 ARG 91 HH21 ARG 91 7.327 11.202 0.316 690 HH22 ARG 91 HH22 ARG 91 7.026 9.463 0.154 691 H LEU 92 H LEU 92 12.020 14.246 -3.906 692 HA LEU 92 HA LEU 92 14.170 15.123 -2.209 693 HB2 LEU 92 HB2 LEU 92 14.334 14.897 -4.664 694 HB3 LEU 92 HB3 LEU 92 13.143 16.172 -4.888 695 HG LEU 92 HG LEU 92 14.692 17.836 -3.917 696 HD11 LEU 92 HD11 LEU 92 16.669 15.515 -3.756 697 HD12 LEU 92 HD12 LEU 92 17.080 17.235 -3.569 698 HD13 LEU 92 HD13 LEU 92 16.032 16.451 -2.384 699 HD21 LEU 92 HD21 LEU 92 15.873 16.110 -6.127 700 HD22 LEU 92 HD22 LEU 92 14.687 17.427 -6.315 701 HD23 LEU 92 HD23 LEU 92 16.335 17.781 -5.771 702 H ARG 93 H ARG 93 11.152 16.783 -3.307 703 HA ARG 93 HA ARG 93 11.840 19.275 -2.025 704 HB2 ARG 93 HB2 ARG 93 10.221 18.781 -4.004 705 HB3 ARG 93 HB3 ARG 93 9.014 18.405 -2.764 706 HG2 ARG 93 HG2 ARG 93 9.361 20.726 -1.815 707 HG3 ARG 93 HG3 ARG 93 10.579 21.014 -3.065 708 HD2 ARG 93 HD2 ARG 93 8.646 20.408 -4.748 709 HD3 ARG 93 HD3 ARG 93 7.586 20.688 -3.374 710 HE ARG 93 HE ARG 93 8.199 22.990 -3.322 711 HH11 ARG 93 HH11 ARG 93 9.749 21.405 -6.072 712 HH12 ARG 93 HH12 ARG 93 10.135 22.945 -6.819 713 HH21 ARG 93 HH21 ARG 93 8.842 24.891 -4.365 714 HH22 ARG 93 HH22 ARG 93 9.775 24.775 -5.849 715 H GLU 94 H GLU 94 9.827 16.505 -0.929 716 HA GLU 94 HA GLU 94 9.089 17.606 1.616 717 HB2 GLU 94 HB2 GLU 94 9.706 14.739 0.765 718 HB3 GLU 94 HB3 GLU 94 9.043 15.185 2.342 719 HG2 GLU 94 HG2 GLU 94 7.070 16.193 1.254 720 HG3 GLU 94 HG3 GLU 94 7.683 15.728 -0.327 721 H ARG 95 H ARG 95 11.936 15.578 0.728 722 HA ARG 95 HA ARG 95 13.162 15.485 3.258 723 HB2 ARG 95 HB2 ARG 95 13.616 14.119 1.181 724 HB3 ARG 95 HB3 ARG 95 14.540 15.481 0.533 725 HG2 ARG 95 HG2 ARG 95 16.083 15.249 2.554 726 HG3 ARG 95 HG3 ARG 95 15.125 13.830 3.024 727 HD2 ARG 95 HD2 ARG 95 15.611 13.168 0.436 728 HD3 ARG 95 HD3 ARG 95 17.026 14.184 0.704 729 HE ARG 95 HE ARG 95 16.347 11.558 1.931 730 HH11 ARG 95 HH11 ARG 95 18.696 14.217 2.147 731 HH12 ARG 95 HH12 ARG 95 19.829 13.164 2.959 732 HH21 ARG 95 HH21 ARG 95 17.706 10.409 2.858 733 HH22 ARG 95 HH22 ARG 95 19.285 10.996 3.390 734 H VAL 96 H VAL 96 13.692 17.886 0.655 735 HA VAL 96 HA VAL 96 15.696 19.275 2.298 736 HB VAL 96 HB VAL 96 15.936 18.645 -0.144 737 HG11 VAL 96 HG11 VAL 96 14.973 19.865 -1.843 738 HG12 VAL 96 HG12 VAL 96 13.617 19.702 -0.734 739 HG13 VAL 96 HG13 VAL 96 14.505 21.220 -0.787 740 HG21 VAL 96 HG21 VAL 96 16.435 21.573 0.539 741 HG22 VAL 96 HG22 VAL 96 17.476 20.222 1.007 742 HG23 VAL 96 HG23 VAL 96 17.250 20.605 -0.711 743 H SER 97 H SER 97 12.383 19.939 1.196 744 HA SER 97 HA SER 97 12.539 22.679 2.372 745 HB2 SER 97 HB2 SER 97 10.856 21.678 0.064 746 HB3 SER 97 HB3 SER 97 10.815 23.308 0.744 747 HG SER 97 HG SER 97 12.899 23.672 0.059 748 H GLY 98 H GLY 98 10.957 19.627 2.919 749 HA2 GLY 98 HA2 GLY 98 8.371 20.582 3.732 750 HA3 GLY 98 HA3 GLY 98 9.106 19.043 4.155 751 H SER 99 H SER 99 7.485 20.723 5.860 752 HA SER 99 HA SER 99 9.351 21.667 7.960 753 HB2 SER 99 HB2 SER 99 7.318 22.538 9.055 754 HB3 SER 99 HB3 SER 99 7.614 23.209 7.445 755 HG SER 99 HG SER 99 5.405 22.626 7.737 756 H THR 100 H THR 100 9.484 20.826 9.980 757 HA THR 100 HA THR 100 7.888 18.468 10.795 758 HB THR 100 HB THR 100 10.934 18.418 10.675 759 HG1 THR 100 HG1 THR 100 8.957 16.970 9.229 760 HG21 THR 100 HG21 THR 100 8.956 16.277 11.572 761 HG22 THR 100 HG22 THR 100 10.694 16.033 11.314 762 HG23 THR 100 HG23 THR 100 10.145 17.112 12.602 763 H ALA 101 H ALA 101 7.498 18.473 12.966 764 HA ALA 101 HA ALA 101 9.132 20.092 14.823 765 HB1 ALA 101 HB1 ALA 101 6.156 20.578 14.326 766 HB2 ALA 101 HB2 ALA 101 7.145 21.364 15.576 767 HB3 ALA 101 HB3 ALA 101 7.479 21.671 13.864 768 H GLN 102 H GLN 102 8.485 19.812 17.074 769 HA GLN 102 HA GLN 102 6.868 17.429 17.757 770 HB2 GLN 102 HB2 GLN 102 9.092 16.516 17.503 771 HB3 GLN 102 HB3 GLN 102 9.803 17.834 18.431 772 HG2 GLN 102 HG2 GLN 102 9.747 15.780 19.736 773 HG3 GLN 102 HG3 GLN 102 8.777 17.032 20.486 774 HE21 GLN 102 HE22 GLN 102 7.845 15.184 21.701 775 HE22 GLN 102 HE21 GLN 102 6.550 14.249 20.934 776 H SER 103 H SER 103 5.642 17.750 19.523 777 HA SER 103 HA SER 103 5.552 20.384 20.674 778 HB2 SER 103 HB2 SER 103 3.953 17.913 21.412 779 HB3 SER 103 HB3 SER 103 3.542 19.593 21.788 780 HG SER 103 HG SER 103 2.436 18.841 19.905 781 H ALA 104 H ALA 104 6.879 17.369 21.890 782 HA ALA 104 HA ALA 104 7.784 18.690 24.377 783 HB1 ALA 104 HB1 ALA 104 6.984 16.795 25.747 784 HB2 ALA 104 HB2 ALA 104 5.633 17.655 24.984 785 HB3 ALA 104 HB3 ALA 104 6.182 16.094 24.329 Start of MODEL 6 1 H1 SER 1 H1 SER 1 5.586 -8.802 -19.407 2 H2 SER 1 H2 SER 1 5.915 -8.274 -17.889 3 H3 SER 1 H3 SER 1 7.136 -8.537 -18.947 4 HA SER 1 HA SER 1 6.670 -10.891 -19.025 5 HB2 SER 1 HB2 SER 1 7.157 -9.877 -16.190 6 HB3 SER 1 HB3 SER 1 7.568 -11.481 -16.832 7 HG SER 1 HG SER 1 9.363 -10.042 -16.907 8 H VAL 2 H VAL 2 5.476 -12.705 -18.342 9 HA VAL 2 HA VAL 2 2.686 -12.097 -17.675 10 HB VAL 2 HB VAL 2 2.242 -14.447 -18.153 11 HG11 VAL 2 HG11 VAL 2 2.761 -14.408 -20.523 12 HG12 VAL 2 HG12 VAL 2 2.299 -12.787 -19.984 13 HG13 VAL 2 HG13 VAL 2 4.010 -13.172 -20.282 14 HG21 VAL 2 HG21 VAL 2 5.229 -14.754 -18.704 15 HG22 VAL 2 HG22 VAL 2 4.352 -15.477 -17.337 16 HG23 VAL 2 HG23 VAL 2 3.962 -15.956 -18.992 17 H SER 3 H SER 3 5.351 -12.933 -15.723 18 HA SER 3 HA SER 3 3.973 -14.384 -13.634 19 HB2 SER 3 HB2 SER 3 6.011 -13.845 -12.310 20 HB3 SER 3 HB3 SER 3 6.364 -14.587 -13.880 21 HG SER 3 HG SER 3 7.711 -12.754 -13.466 22 H ILE 4 H ILE 4 3.503 -13.616 -11.506 23 HA ILE 4 HA ILE 4 2.085 -11.059 -11.610 24 HB ILE 4 HB ILE 4 0.876 -11.743 -9.725 25 HG12 ILE 4 HG12 ILE 4 2.519 -12.705 -8.247 26 HG13 ILE 4 HG13 ILE 4 1.142 -13.765 -8.458 27 HG21 ILE 4 HG21 ILE 4 1.177 -14.137 -11.578 28 HG22 ILE 4 HG22 ILE 4 -0.206 -13.752 -10.541 29 HG23 ILE 4 HG23 ILE 4 0.219 -12.678 -11.881 30 HD11 ILE 4 HD11 ILE 4 2.502 -15.221 -9.976 31 HD12 ILE 4 HD12 ILE 4 3.909 -14.166 -9.672 32 HD13 ILE 4 HD13 ILE 4 3.173 -15.070 -8.346 33 H LEU 5 H LEU 5 5.164 -11.837 -10.442 34 HA LEU 5 HA LEU 5 5.093 -10.164 -8.040 35 HB2 LEU 5 HB2 LEU 5 7.443 -11.448 -9.482 36 HB3 LEU 5 HB3 LEU 5 7.497 -10.687 -7.896 37 HG LEU 5 HG LEU 5 5.950 -13.216 -8.620 38 HD11 LEU 5 HD11 LEU 5 8.401 -13.494 -8.498 39 HD12 LEU 5 HD12 LEU 5 8.401 -12.787 -6.867 40 HD13 LEU 5 HD13 LEU 5 7.579 -14.334 -7.173 41 HD21 LEU 5 HD21 LEU 5 4.734 -12.036 -6.841 42 HD22 LEU 5 HD22 LEU 5 5.565 -13.440 -6.174 43 HD23 LEU 5 HD23 LEU 5 6.247 -11.818 -5.926 44 H ARG 6 H ARG 6 5.994 -8.183 -7.694 45 HA ARG 6 HA ARG 6 7.226 -6.627 -9.910 46 HB2 ARG 6 HB2 ARG 6 4.757 -5.742 -8.334 47 HB3 ARG 6 HB3 ARG 6 5.686 -4.696 -9.396 48 HG2 ARG 6 HG2 ARG 6 4.120 -7.150 -10.294 49 HG3 ARG 6 HG3 ARG 6 3.585 -5.479 -10.413 50 HD2 ARG 6 HD2 ARG 6 5.443 -4.936 -11.923 51 HD3 ARG 6 HD3 ARG 6 6.054 -6.582 -11.834 52 HE ARG 6 HE ARG 6 3.703 -5.611 -13.314 53 HH11 ARG 6 HH11 ARG 6 5.335 -8.521 -12.188 54 HH12 ARG 6 HH12 ARG 6 4.436 -9.539 -13.293 55 HH21 ARG 6 HH21 ARG 6 2.665 -6.997 -14.742 56 HH22 ARG 6 HH22 ARG 6 3.070 -8.690 -14.744 57 H SER 7 H SER 7 8.277 -4.692 -9.211 58 HA SER 7 HA SER 7 9.760 -4.955 -6.774 59 HB2 SER 7 HB2 SER 7 9.466 -2.527 -8.582 60 HB3 SER 7 HB3 SER 7 10.733 -2.793 -7.368 61 HG SER 7 HG SER 7 11.427 -3.381 -9.492 62 H SER 8 H SER 8 9.847 -3.590 -4.926 63 HA SER 8 HA SER 8 7.282 -2.657 -3.922 64 HB2 SER 8 HB2 SER 8 8.557 -2.134 -1.877 65 HB3 SER 8 HB3 SER 8 8.785 -3.798 -2.438 66 HG SER 8 HG SER 8 10.785 -2.855 -1.858 67 H VAL 9 H VAL 9 6.856 -0.558 -3.061 68 HA VAL 9 HA VAL 9 8.197 1.701 -4.500 69 HB VAL 9 HB VAL 9 6.000 2.700 -4.934 70 HG11 VAL 9 HG11 VAL 9 5.335 1.290 -6.768 71 HG12 VAL 9 HG12 VAL 9 7.104 1.306 -6.649 72 HG13 VAL 9 HG13 VAL 9 6.185 -0.107 -6.077 73 HG21 VAL 9 HG21 VAL 9 4.670 1.599 -3.124 74 HG22 VAL 9 HG22 VAL 9 3.936 1.430 -4.722 75 HG23 VAL 9 HG23 VAL 9 4.792 0.057 -4.001 76 H ASN 10 H ASN 10 8.342 0.734 -1.621 77 HA ASN 10 HA ASN 10 7.043 2.779 -0.016 78 HB2 ASN 10 HB2 ASN 10 7.582 0.475 0.801 79 HB3 ASN 10 HB3 ASN 10 9.308 0.844 0.677 80 HD21 ASN 10 HD22 ASN 10 6.276 1.804 2.359 81 HD22 ASN 10 HD21 ASN 10 7.113 2.561 3.701 82 H HIS 11 H HIS 11 8.116 4.450 1.260 83 HA HIS 11 HA HIS 11 9.616 6.181 -0.363 84 HB2 HIS 11 HB2 HIS 11 9.752 7.612 1.625 85 HB3 HIS 11 HB3 HIS 11 8.144 6.952 1.385 86 HD2 HIS 11 HD2 HIS 11 11.040 6.974 3.868 87 HE1 HIS 11 HE1 HIS 11 7.969 4.617 5.655 88 HE2 HIS 11 HE2 HIS 11 10.201 5.765 6.059 89 H ARG 12 H ARG 12 10.949 3.735 1.844 90 HA ARG 12 HA ARG 12 13.622 4.792 2.000 91 HB2 ARG 12 HB2 ARG 12 12.399 2.047 2.315 92 HB3 ARG 12 HB3 ARG 12 14.120 2.143 1.992 93 HG2 ARG 12 HG2 ARG 12 13.846 2.056 4.362 94 HG3 ARG 12 HG3 ARG 12 14.481 3.637 3.908 95 HD2 ARG 12 HD2 ARG 12 12.829 3.961 5.632 96 HD3 ARG 12 HD3 ARG 12 12.184 4.595 4.130 97 HE ARG 12 HE ARG 12 10.595 2.840 4.034 98 HH11 ARG 12 HH11 ARG 12 12.651 2.273 6.832 99 HH12 ARG 12 HH12 ARG 12 11.605 1.015 7.432 100 HH21 ARG 12 HH21 ARG 12 9.413 1.232 4.773 101 HH22 ARG 12 HH22 ARG 12 9.774 0.446 6.297 102 H GLU 13 H GLU 13 12.010 3.045 -0.657 103 HA GLU 13 HA GLU 13 14.438 2.551 -2.162 104 HB2 GLU 13 HB2 GLU 13 11.548 2.825 -3.060 105 HB3 GLU 13 HB3 GLU 13 12.879 2.313 -4.091 106 HG2 GLU 13 HG2 GLU 13 12.039 0.880 -1.540 107 HG3 GLU 13 HG3 GLU 13 11.517 0.427 -3.160 108 H VAL 14 H VAL 14 12.150 5.285 -1.967 109 HA VAL 14 HA VAL 14 13.425 6.778 -4.129 110 HB VAL 14 HB VAL 14 11.488 7.854 -2.051 111 HG11 VAL 14 HG11 VAL 14 12.650 9.557 -3.455 112 HG12 VAL 14 HG12 VAL 14 12.150 8.682 -4.914 113 HG13 VAL 14 HG13 VAL 14 10.931 9.445 -3.873 114 HG21 VAL 14 HG21 VAL 14 10.385 5.923 -3.108 115 HG22 VAL 14 HG22 VAL 14 9.706 7.422 -3.742 116 HG23 VAL 14 HG23 VAL 14 10.871 6.502 -4.717 117 H ASP 15 H ASP 15 13.581 6.866 -0.530 118 HA ASP 15 HA ASP 15 15.451 9.026 -0.314 119 HB2 ASP 15 HB2 ASP 15 14.951 6.539 1.381 120 HB3 ASP 15 HB3 ASP 15 16.125 7.775 1.818 121 H GLU 16 H GLU 16 16.018 5.477 -0.765 122 HA GLU 16 HA GLU 16 18.868 5.642 -0.884 123 HB2 GLU 16 HB2 GLU 16 17.682 3.540 -0.529 124 HB3 GLU 16 HB3 GLU 16 16.920 3.650 -2.122 125 HG2 GLU 16 HG2 GLU 16 19.086 3.468 -3.239 126 HG3 GLU 16 HG3 GLU 16 19.930 3.514 -1.686 127 H ALA 17 H ALA 17 16.405 5.858 -3.545 128 HA ALA 17 HA ALA 17 18.314 6.126 -5.620 129 HB1 ALA 17 HB1 ALA 17 16.430 7.041 -6.927 130 HB2 ALA 17 HB2 ALA 17 15.924 5.621 -5.994 131 HB3 ALA 17 HB3 ALA 17 15.479 7.253 -5.439 132 H ILE 18 H ILE 18 16.722 8.662 -3.598 133 HA ILE 18 HA ILE 18 17.990 10.911 -4.821 134 HB ILE 18 HB ILE 18 16.789 10.414 -2.076 135 HG12 ILE 18 HG12 ILE 18 15.955 12.303 -4.324 136 HG13 ILE 18 HG13 ILE 18 15.403 10.631 -4.233 137 HG21 ILE 18 HG21 ILE 18 18.532 12.078 -1.643 138 HG22 ILE 18 HG22 ILE 18 18.025 13.037 -3.052 139 HG23 ILE 18 HG23 ILE 18 16.978 12.876 -1.627 140 HD11 ILE 18 HD11 ILE 18 14.820 12.809 -2.197 141 HD12 ILE 18 HD12 ILE 18 13.702 12.032 -3.322 142 HD13 ILE 18 HD13 ILE 18 14.407 11.088 -1.993 143 H ASP 19 H ASP 19 19.060 8.961 -1.949 144 HA ASP 19 HA ASP 19 21.525 10.329 -1.565 145 HB2 ASP 19 HB2 ASP 19 20.584 8.793 0.080 146 HB3 ASP 19 HB3 ASP 19 20.710 7.440 -1.042 147 H ASN 20 H ASN 20 20.783 7.553 -3.767 148 HA ASN 20 HA ASN 20 23.460 7.141 -4.636 149 HB2 ASN 20 HB2 ASN 20 21.604 5.537 -4.971 150 HB3 ASN 20 HB3 ASN 20 20.823 6.654 -6.093 151 HD21 ASN 20 HD22 ASN 20 23.693 4.564 -5.643 152 HD22 ASN 20 HD21 ASN 20 24.071 4.502 -7.357 153 H ILE 21 H ILE 21 20.904 9.299 -6.017 154 HA ILE 21 HA ILE 21 22.632 10.366 -8.087 155 HB ILE 21 HB ILE 21 19.970 11.188 -6.909 156 HG12 ILE 21 HG12 ILE 21 19.410 11.225 -9.395 157 HG13 ILE 21 HG13 ILE 21 21.018 10.598 -9.721 158 HG21 ILE 21 HG21 ILE 21 21.774 12.971 -8.597 159 HG22 ILE 21 HG22 ILE 21 20.024 13.182 -8.513 160 HG23 ILE 21 HG23 ILE 21 20.980 13.358 -7.051 161 HD11 ILE 21 HD11 ILE 21 19.333 8.839 -9.795 162 HD12 ILE 21 HD12 ILE 21 20.428 8.529 -8.440 163 HD13 ILE 21 HD13 ILE 21 18.806 9.219 -8.147 164 H LEU 22 H LEU 22 21.910 11.399 -4.739 165 HA LEU 22 HA LEU 22 23.294 13.822 -4.763 166 HB2 LEU 22 HB2 LEU 22 21.667 12.819 -3.058 167 HB3 LEU 22 HB3 LEU 22 23.017 11.865 -2.441 168 HG LEU 22 HG LEU 22 24.190 14.037 -1.930 169 HD11 LEU 22 HD11 LEU 22 22.949 15.563 -3.430 170 HD12 LEU 22 HD12 LEU 22 21.419 15.157 -2.629 171 HD13 LEU 22 HD13 LEU 22 22.692 16.035 -1.753 172 HD21 LEU 22 HD21 LEU 22 22.999 12.738 -0.212 173 HD22 LEU 22 HD22 LEU 22 22.811 14.472 0.078 174 HD23 LEU 22 HD23 LEU 22 21.470 13.545 -0.633 175 H ARG 23 H ARG 23 24.607 10.566 -3.845 176 HA ARG 23 HA ARG 23 27.311 11.626 -3.606 177 HB2 ARG 23 HB2 ARG 23 28.038 9.439 -3.127 178 HB3 ARG 23 HB3 ARG 23 26.535 9.755 -2.268 179 HG2 ARG 23 HG2 ARG 23 25.324 8.398 -4.035 180 HG3 ARG 23 HG3 ARG 23 26.877 8.044 -4.781 181 HD2 ARG 23 HD2 ARG 23 26.110 6.193 -3.363 182 HD3 ARG 23 HD3 ARG 23 27.628 6.858 -2.783 183 HE ARG 23 HE ARG 23 24.910 7.274 -1.540 184 HH11 ARG 23 HH11 ARG 23 28.395 7.207 -0.998 185 HH12 ARG 23 HH12 ARG 23 28.198 7.589 0.687 186 HH21 ARG 23 HH21 ARG 23 24.750 7.867 0.463 187 HH22 ARG 23 HH22 ARG 23 26.145 7.909 1.532 188 H TYR 24 H TYR 24 25.577 10.069 -6.331 189 HA TYR 24 HA TYR 24 27.863 9.787 -8.029 190 HB2 TYR 24 HB2 TYR 24 25.732 8.722 -8.495 191 HB3 TYR 24 HB3 TYR 24 24.921 10.276 -8.621 192 HD1 TYR 24 HD2 TYR 24 27.713 8.286 -10.179 193 HD2 TYR 24 HD1 TYR 24 24.646 11.272 -10.739 194 HE1 TYR 24 HE2 TYR 24 28.188 8.317 -12.625 195 HE2 TYR 24 HE1 TYR 24 25.124 11.295 -13.189 196 HH TYR 24 HH TYR 24 27.630 9.213 -14.676 197 H THR 25 H THR 25 25.676 12.603 -7.536 198 HA THR 25 HA THR 25 27.242 14.280 -9.404 199 HB THR 25 HB THR 25 25.646 16.048 -8.802 200 HG1 THR 25 HG1 THR 25 24.243 14.130 -7.270 201 HG21 THR 25 HG21 THR 25 25.003 14.517 -10.618 202 HG22 THR 25 HG22 THR 25 24.241 13.422 -9.439 203 HG23 THR 25 HG23 THR 25 23.598 15.058 -9.677 204 H ASN 26 H ASN 26 27.566 13.491 -6.102 205 HA ASN 26 HA ASN 26 28.491 14.399 -4.284 206 HB2 ASN 26 HB2 ASN 26 30.484 14.289 -5.758 207 HB3 ASN 26 HB3 ASN 26 30.197 15.946 -6.276 208 HD21 ASN 26 HD22 ASN 26 31.255 17.514 -5.155 209 HD22 ASN 26 HD21 ASN 26 32.006 17.267 -3.578 210 H SER 27 H SER 27 26.091 15.812 -5.511 211 HA SER 27 HA SER 27 26.464 18.638 -4.804 212 HB2 SER 27 HB2 SER 27 24.231 18.946 -5.648 213 HB3 SER 27 HB3 SER 27 25.183 17.987 -6.792 214 HG SER 27 HG SER 27 24.014 16.216 -6.314 215 H THR 28 H THR 28 24.697 19.751 -3.517 216 HA THR 28 HA THR 28 24.072 18.287 -0.991 217 HB THR 28 HB THR 28 23.354 20.380 -0.081 218 HG1 THR 28 HG1 THR 28 23.448 22.278 -1.391 219 HG21 THR 28 HG21 THR 28 25.857 21.036 -1.680 220 HG22 THR 28 HG22 THR 28 25.348 21.726 -0.130 221 HG23 THR 28 HG23 THR 28 25.855 20.029 -0.204 222 H GLU 29 H GLU 29 21.752 18.260 -0.216 223 HA GLU 29 HA GLU 29 19.957 17.587 -2.384 224 HB2 GLU 29 HB2 GLU 29 19.425 18.052 0.572 225 HB3 GLU 29 HB3 GLU 29 18.206 17.535 -0.609 226 HG2 GLU 29 HG2 GLU 29 19.629 15.587 -1.222 227 HG3 GLU 29 HG3 GLU 29 20.753 16.031 0.073 228 H GLN 30 H GLN 30 20.586 20.665 -0.749 229 HA GLN 30 HA GLN 30 18.327 22.081 -1.888 230 HB2 GLN 30 HB2 GLN 30 21.066 23.016 -0.936 231 HB3 GLN 30 HB3 GLN 30 19.778 24.099 -1.483 232 HG2 GLN 30 HG2 GLN 30 18.277 23.256 0.294 233 HG3 GLN 30 HG3 GLN 30 19.552 22.178 0.874 234 HE21 GLN 30 HE22 GLN 30 18.665 23.722 2.829 235 HE22 GLN 30 HE21 GLN 30 19.725 25.095 3.104 236 H GLN 31 H GLN 31 21.720 21.546 -3.054 237 HA GLN 31 HA GLN 31 21.409 22.978 -5.534 238 HB2 GLN 31 HB2 GLN 31 23.213 20.713 -4.627 239 HB3 GLN 31 HB3 GLN 31 23.328 21.409 -6.244 240 HG2 GLN 31 HG2 GLN 31 23.973 23.549 -5.423 241 HG3 GLN 31 HG3 GLN 31 23.527 23.152 -3.768 242 HE21 GLN 31 HE22 GLN 31 25.896 24.163 -3.770 243 HE22 GLN 31 HE21 GLN 31 27.137 22.935 -3.608 244 H PHE 32 H PHE 32 20.808 19.509 -4.699 245 HA PHE 32 HA PHE 32 20.007 18.779 -7.347 246 HB2 PHE 32 HB2 PHE 32 20.777 17.237 -5.582 247 HB3 PHE 32 HB3 PHE 32 19.325 17.578 -4.650 248 HD1 PHE 32 HD2 PHE 32 18.755 17.149 -8.287 249 HD2 PHE 32 HD1 PHE 32 19.226 15.085 -4.522 250 HE1 PHE 32 HE2 PHE 32 17.587 15.190 -9.217 251 HE2 PHE 32 HE1 PHE 32 18.068 13.116 -5.479 252 HZ PHE 32 HZ PHE 32 17.232 13.164 -7.814 253 H LEU 33 H LEU 33 18.001 19.898 -4.545 254 HA LEU 33 HA LEU 33 15.510 19.725 -5.905 255 HB2 LEU 33 HB2 LEU 33 15.855 19.921 -3.480 256 HB3 LEU 33 HB3 LEU 33 16.431 21.563 -3.653 257 HG LEU 33 HG LEU 33 14.128 21.311 -2.721 258 HD11 LEU 33 HD11 LEU 33 13.085 23.104 -3.893 259 HD12 LEU 33 HD12 LEU 33 14.829 23.418 -3.861 260 HD13 LEU 33 HD13 LEU 33 14.051 22.826 -5.345 261 HD21 LEU 33 HD21 LEU 33 13.311 20.468 -5.537 262 HD22 LEU 33 HD22 LEU 33 13.374 19.392 -4.118 263 HD23 LEU 33 HD23 LEU 33 12.243 20.754 -4.155 264 H GLU 34 H GLU 34 17.814 22.451 -5.685 265 HA GLU 34 HA GLU 34 16.345 24.243 -7.356 266 HB2 GLU 34 HB2 GLU 34 18.181 24.893 -5.829 267 HB3 GLU 34 HB3 GLU 34 19.349 24.060 -6.865 268 HG2 GLU 34 HG2 GLU 34 18.849 25.604 -8.709 269 HG3 GLU 34 HG3 GLU 34 17.579 26.374 -7.754 270 H ALA 35 H ALA 35 18.809 21.785 -8.246 271 HA ALA 35 HA ALA 35 18.826 22.423 -11.041 272 HB1 ALA 35 HB1 ALA 35 19.459 19.806 -9.601 273 HB2 ALA 35 HB2 ALA 35 19.904 20.214 -11.271 274 HB3 ALA 35 HB3 ALA 35 20.599 21.136 -9.926 275 H MET 36 H MET 36 16.757 20.153 -9.147 276 HA MET 36 HA MET 36 15.299 19.175 -11.448 277 HB2 MET 36 HB2 MET 36 14.656 19.299 -8.469 278 HB3 MET 36 HB3 MET 36 13.583 18.568 -9.668 279 HG2 MET 36 HG2 MET 36 16.478 17.725 -9.306 280 HG3 MET 36 HG3 MET 36 15.143 16.977 -8.433 281 HE1 MET 36 HE1 MET 36 13.233 14.912 -11.031 282 HE2 MET 36 HE2 MET 36 13.621 15.140 -9.314 283 HE3 MET 36 HE3 MET 36 12.797 16.428 -10.224 284 H GLU 37 H GLU 37 14.597 21.942 -9.190 285 HA GLU 37 HA GLU 37 12.220 22.765 -10.585 286 HB2 GLU 37 HB2 GLU 37 14.244 24.321 -8.929 287 HB3 GLU 37 HB3 GLU 37 12.756 25.021 -9.583 288 HG2 GLU 37 HG2 GLU 37 11.438 23.251 -8.401 289 HG3 GLU 37 HG3 GLU 37 12.910 22.741 -7.582 290 H SER 38 H SER 38 15.673 23.551 -11.168 291 HA SER 38 HA SER 38 15.195 25.469 -13.253 292 HB2 SER 38 HB2 SER 38 17.642 23.737 -12.744 293 HB3 SER 38 HB3 SER 38 17.575 25.167 -13.786 294 HG SER 38 HG SER 38 17.214 25.038 -10.970 295 H THR 39 H THR 39 15.207 21.955 -13.323 296 HA THR 39 HA THR 39 15.267 21.954 -16.314 297 HB THR 39 HB THR 39 15.788 19.542 -16.105 298 HG1 THR 39 HG1 THR 39 16.310 20.089 -13.389 299 HG21 THR 39 HG21 THR 39 18.100 19.833 -15.312 300 HG22 THR 39 HG22 THR 39 17.604 21.185 -16.353 301 HG23 THR 39 HG23 THR 39 17.690 21.401 -14.598 302 H GLY 40 H GLY 40 12.897 22.049 -14.022 303 HA2 GLY 40 HA2 GLY 40 10.618 21.812 -14.344 304 HA3 GLY 40 HA3 GLY 40 10.900 21.097 -15.931 305 H GLY 41 H GLY 41 12.442 19.747 -13.053 306 HA2 GLY 41 HA2 GLY 41 12.038 17.874 -11.792 307 HA3 GLY 41 HA3 GLY 41 10.385 17.812 -12.413 308 H ARG 42 H ARG 42 13.708 17.374 -13.771 309 HA ARG 42 HA ARG 42 12.970 14.612 -14.640 310 HB2 ARG 42 HB2 ARG 42 13.250 16.931 -16.381 311 HB3 ARG 42 HB3 ARG 42 14.541 15.818 -16.743 312 HG2 ARG 42 HG2 ARG 42 11.630 14.955 -16.556 313 HG3 ARG 42 HG3 ARG 42 12.369 15.549 -18.045 314 HD2 ARG 42 HD2 ARG 42 13.922 13.738 -18.166 315 HD3 ARG 42 HD3 ARG 42 13.535 13.160 -16.543 316 HE ARG 42 HE ARG 42 11.893 12.870 -19.003 317 HH11 ARG 42 HH22 ARG 42 12.030 12.124 -15.533 318 HH12 ARG 42 HH21 ARG 42 10.572 11.171 -15.628 319 HH21 ARG 42 HH12 ARG 42 10.032 11.632 -18.964 320 HH22 ARG 42 HH11 ARG 42 9.457 11.007 -17.431 321 H VAL 43 H VAL 43 14.321 13.351 -13.527 322 HA VAL 43 HA VAL 43 16.613 14.329 -12.199 323 HB VAL 43 HB VAL 43 15.843 11.451 -12.791 324 HG11 VAL 43 HG11 VAL 43 17.236 10.887 -10.797 325 HG12 VAL 43 HG12 VAL 43 18.220 11.454 -12.142 326 HG13 VAL 43 HG13 VAL 43 17.863 12.551 -10.785 327 HG21 VAL 43 HG21 VAL 43 14.959 11.498 -10.497 328 HG22 VAL 43 HG22 VAL 43 15.496 13.187 -10.300 329 HG23 VAL 43 HG23 VAL 43 14.201 12.783 -11.441 330 H ARG 44 H ARG 44 16.632 12.506 -15.344 331 HA ARG 44 HA ARG 44 19.497 12.325 -15.394 332 HB2 ARG 44 HB2 ARG 44 19.299 11.615 -17.647 333 HB3 ARG 44 HB3 ARG 44 18.029 10.879 -16.681 334 HG2 ARG 44 HG2 ARG 44 16.409 12.605 -17.610 335 HG3 ARG 44 HG3 ARG 44 17.726 13.191 -18.650 336 HD2 ARG 44 HD2 ARG 44 17.945 10.901 -19.618 337 HD3 ARG 44 HD3 ARG 44 16.566 10.376 -18.624 338 HE ARG 44 HE ARG 44 15.854 12.679 -20.210 339 HH11 ARG 44 HH22 ARG 44 16.407 9.241 -20.622 340 HH12 ARG 44 HH21 ARG 44 15.405 9.157 -22.042 341 HH21 ARG 44 HH11 ARG 44 14.563 12.492 -22.030 342 HH22 ARG 44 HH12 ARG 44 14.380 10.944 -22.794 343 H ILE 45 H ILE 45 17.335 14.889 -16.519 344 HA ILE 45 HA ILE 45 19.454 16.449 -17.799 345 HB ILE 45 HB ILE 45 16.776 17.497 -16.847 346 HG12 ILE 45 HG12 ILE 45 16.218 15.512 -18.142 347 HG13 ILE 45 HG13 ILE 45 15.772 16.974 -18.993 348 HG21 ILE 45 HG21 ILE 45 17.059 19.062 -18.754 349 HG22 ILE 45 HG22 ILE 45 18.422 19.178 -17.630 350 HG23 ILE 45 HG23 ILE 45 18.615 18.308 -19.154 351 HD11 ILE 45 HD11 ILE 45 17.622 16.695 -20.556 352 HD12 ILE 45 HD12 ILE 45 18.262 15.324 -19.616 353 HD13 ILE 45 HD13 ILE 45 16.693 15.188 -20.436 354 H ALA 46 H ALA 46 17.870 16.388 -14.590 355 HA ALA 46 HA ALA 46 19.167 18.711 -13.538 356 HB1 ALA 46 HB1 ALA 46 17.127 17.678 -12.591 357 HB2 ALA 46 HB2 ALA 46 18.076 16.271 -12.068 358 HB3 ALA 46 HB3 ALA 46 18.401 17.875 -11.372 359 H ILE 47 H ILE 47 20.124 15.209 -13.328 360 HA ILE 47 HA ILE 47 22.580 15.867 -11.933 361 HB ILE 47 HB ILE 47 23.285 13.625 -12.228 362 HG12 ILE 47 HG12 ILE 47 20.990 13.297 -14.167 363 HG13 ILE 47 HG13 ILE 47 22.709 13.119 -14.512 364 HG21 ILE 47 HG21 ILE 47 20.295 13.591 -11.637 365 HG22 ILE 47 HG22 ILE 47 21.562 12.573 -10.938 366 HG23 ILE 47 HG23 ILE 47 21.500 14.295 -10.546 367 HD11 ILE 47 HD11 ILE 47 21.759 10.922 -14.395 368 HD12 ILE 47 HD12 ILE 47 22.738 11.137 -12.930 369 HD13 ILE 47 HD13 ILE 47 20.965 11.264 -12.851 370 H ALA 48 H ALA 48 21.833 15.469 -15.467 371 HA ALA 48 HA ALA 48 24.462 15.860 -16.386 372 HB1 ALA 48 HB1 ALA 48 22.576 15.215 -17.810 373 HB2 ALA 48 HB2 ALA 48 21.777 16.774 -17.528 374 HB3 ALA 48 HB3 ALA 48 23.305 16.708 -18.432 375 H LYS 49 H LYS 49 22.016 18.409 -15.523 376 HA LYS 49 HA LYS 49 23.802 20.611 -16.078 377 HB2 LYS 49 HB2 LYS 49 21.247 20.362 -14.435 378 HB3 LYS 49 HB3 LYS 49 22.081 21.897 -14.675 379 HG2 LYS 49 HG2 LYS 49 21.083 20.170 -16.979 380 HG3 LYS 49 HG3 LYS 49 20.154 21.472 -16.230 381 HD2 LYS 49 HD2 LYS 49 21.886 23.115 -16.871 382 HD3 LYS 49 HD3 LYS 49 22.852 21.824 -17.613 383 HE2 LYS 49 HE2 LYS 49 21.010 21.297 -19.166 384 HE3 LYS 49 HE3 LYS 49 20.000 22.547 -18.432 385 HZ1 LYS 49 HZ1 LYS 49 21.082 23.366 -20.457 386 HZ2 LYS 49 HZ2 LYS 49 21.641 24.218 -19.180 387 HZ3 LYS 49 HZ3 LYS 49 22.572 23.054 -19.862 388 H LEU 50 H LEU 50 23.232 18.774 -13.063 389 HA LEU 50 HA LEU 50 24.922 20.429 -11.407 390 HB2 LEU 50 HB2 LEU 50 24.094 17.503 -11.281 391 HB3 LEU 50 HB3 LEU 50 25.123 18.236 -10.063 392 HG LEU 50 HG LEU 50 22.361 19.332 -10.715 393 HD11 LEU 50 HD11 LEU 50 21.629 18.156 -8.657 394 HD12 LEU 50 HD12 LEU 50 22.122 17.025 -9.918 395 HD13 LEU 50 HD13 LEU 50 23.206 17.356 -8.543 396 HD21 LEU 50 HD21 LEU 50 22.557 20.341 -8.460 397 HD22 LEU 50 HD22 LEU 50 24.209 19.717 -8.325 398 HD23 LEU 50 HD23 LEU 50 23.810 20.944 -9.549 399 H LEU 51 H LEU 51 25.691 17.657 -13.570 400 HA LEU 51 HA LEU 51 28.505 17.690 -12.805 401 HB2 LEU 51 HB2 LEU 51 26.939 16.279 -14.994 402 HB3 LEU 51 HB3 LEU 51 28.666 16.053 -14.742 403 HG LEU 51 HG LEU 51 26.572 15.469 -12.593 404 HD11 LEU 51 HD11 LEU 51 27.991 13.582 -14.513 405 HD12 LEU 51 HD12 LEU 51 26.944 13.103 -13.158 406 HD13 LEU 51 HD13 LEU 51 26.260 13.988 -14.525 407 HD21 LEU 51 HD21 LEU 51 28.411 14.127 -11.582 408 HD22 LEU 51 HD22 LEU 51 29.520 14.747 -12.820 409 HD23 LEU 51 HD23 LEU 51 28.798 15.850 -11.630 410 H SER 52 H SER 52 26.726 18.988 -15.677 411 HA SER 52 HA SER 52 29.081 19.533 -17.156 412 HB2 SER 52 HB2 SER 52 27.670 20.814 -18.635 413 HB3 SER 52 HB3 SER 52 26.823 19.342 -18.134 414 HG SER 52 HG SER 52 25.537 21.319 -18.049 415 H LYS 53 H LYS 53 27.501 21.517 -14.707 416 HA LYS 53 HA LYS 53 29.102 23.906 -15.213 417 HB2 LYS 53 HB2 LYS 53 27.392 23.035 -12.846 418 HB3 LYS 53 HB3 LYS 53 28.207 24.599 -12.951 419 HG2 LYS 53 HG2 LYS 53 27.006 25.105 -15.064 420 HG3 LYS 53 HG3 LYS 53 26.107 23.584 -14.913 421 HD2 LYS 53 HD2 LYS 53 25.152 24.332 -12.757 422 HD3 LYS 53 HD3 LYS 53 26.099 25.837 -12.853 423 HE2 LYS 53 HE2 LYS 53 24.948 26.397 -15.005 424 HE3 LYS 53 HE3 LYS 53 23.949 24.945 -14.829 425 HZ1 LYS 53 HZ1 LYS 53 23.997 27.234 -12.912 426 HZ2 LYS 53 HZ2 LYS 53 22.805 26.933 -13.982 427 HZ3 LYS 53 HZ3 LYS 53 23.062 25.901 -12.746 428 H GLN 54 H GLN 54 29.993 20.942 -13.855 429 HA GLN 54 HA GLN 54 31.728 20.201 -12.607 430 HB2 GLN 54 HB2 GLN 54 33.071 22.498 -14.078 431 HB3 GLN 54 HB3 GLN 54 33.954 21.233 -13.236 432 HG2 GLN 54 HG2 GLN 54 32.000 20.624 -15.491 433 HG3 GLN 54 HG3 GLN 54 33.706 20.960 -15.739 434 HE21 GLN 54 HE22 GLN 54 31.416 18.520 -14.551 435 HE22 GLN 54 HE21 GLN 54 32.651 17.279 -14.324 436 H THR 55 H THR 55 30.073 21.592 -10.992 437 HA THR 55 HA THR 55 31.885 22.194 -8.769 438 HB THR 55 HB THR 55 31.642 24.410 -9.701 439 HG1 THR 55 HG1 THR 55 30.876 25.389 -7.836 440 HG21 THR 55 HG21 THR 55 29.525 25.584 -9.875 441 HG22 THR 55 HG22 THR 55 29.450 24.123 -10.870 442 HG23 THR 55 HG23 THR 55 28.626 24.165 -9.296 443 H SER 56 H SER 56 31.030 21.594 -6.801 444 HA SER 56 HA SER 56 28.209 20.914 -6.456 445 HB2 SER 56 HB2 SER 56 28.591 18.509 -6.141 446 HB3 SER 56 HB3 SER 56 28.948 18.993 -7.792 447 HG SER 56 HG SER 56 31.149 18.886 -7.351 448 H GLY 57 H GLY 57 27.637 20.350 -4.324 449 HA2 GLY 57 HA2 GLY 57 27.899 19.901 -2.055 450 HA3 GLY 57 HA3 GLY 57 29.637 19.765 -2.288 451 H GLY 58 H GLY 58 29.631 20.865 -0.165 452 HA2 GLY 58 HA2 GLY 58 30.433 23.573 -0.318 453 HA3 GLY 58 HA3 GLY 58 28.776 23.549 0.292 454 H SER 59 H SER 59 30.678 24.600 1.895 455 HA SER 59 HA SER 59 31.972 22.759 3.680 456 HB2 SER 59 HB2 SER 59 31.263 25.684 4.093 457 HB3 SER 59 HB3 SER 59 32.394 24.738 5.076 458 HG SER 59 HG SER 59 33.472 25.962 3.435 459 H GLY 60 H GLY 60 31.418 21.945 5.660 460 HA2 GLY 60 HA2 GLY 60 28.623 21.609 6.274 461 HA3 GLY 60 HA3 GLY 60 30.001 20.983 7.176 462 H GLY 61 H GLY 61 30.762 24.100 7.305 463 HA2 GLY 61 HA2 GLY 61 30.140 24.408 10.026 464 HA3 GLY 61 HA3 GLY 61 30.740 25.675 8.959 465 H SER 62 H SER 62 27.982 25.108 7.403 466 HA SER 62 HA SER 62 26.413 27.176 8.712 467 HB2 SER 62 HB2 SER 62 24.799 26.713 6.914 468 HB3 SER 62 HB3 SER 62 26.439 26.985 6.297 469 HG SER 62 HG SER 62 25.429 25.143 5.320 470 H LYS 63 H LYS 63 26.613 23.727 9.123 471 HA LYS 63 HA LYS 63 23.886 23.439 10.214 472 HB2 LYS 63 HB2 LYS 63 25.045 21.635 8.894 473 HB3 LYS 63 HB3 LYS 63 26.202 21.472 10.220 474 HG2 LYS 63 HG2 LYS 63 24.098 21.079 11.737 475 HG3 LYS 63 HG3 LYS 63 23.217 20.860 10.223 476 HD2 LYS 63 HD2 LYS 63 25.643 19.279 11.191 477 HD3 LYS 63 HD3 LYS 63 23.962 18.738 11.264 478 HE2 LYS 63 HE2 LYS 63 23.818 18.852 8.768 479 HE3 LYS 63 HE3 LYS 63 25.515 19.343 8.698 480 HZ1 LYS 63 HZ1 LYS 63 24.542 16.749 9.795 481 HZ2 LYS 63 HZ2 LYS 63 25.269 16.943 8.346 482 HZ3 LYS 63 HZ3 LYS 63 26.114 17.201 9.723 483 H LEU 64 H LEU 64 23.336 23.764 12.229 484 HA LEU 64 HA LEU 64 25.132 22.964 14.404 485 HB2 LEU 64 HB2 LEU 64 24.758 25.017 15.728 486 HB3 LEU 64 HB3 LEU 64 25.685 25.257 14.270 487 HG LEU 64 HG LEU 64 23.660 26.231 13.144 488 HD11 LEU 64 HD11 LEU 64 21.814 25.342 14.443 489 HD12 LEU 64 HD12 LEU 64 22.479 26.022 15.948 490 HD13 LEU 64 HD13 LEU 64 21.845 27.084 14.674 491 HD21 LEU 64 HD21 LEU 64 25.406 27.631 14.200 492 HD22 LEU 64 HD22 LEU 64 23.808 28.374 14.338 493 HD23 LEU 64 HD23 LEU 64 24.531 27.560 15.745 494 H GLY 65 H GLY 65 22.128 22.657 13.081 495 HA2 GLY 65 HA2 GLY 65 20.482 21.177 13.829 496 HA3 GLY 65 HA3 GLY 65 21.224 21.144 15.421 497 H GLY 66 H GLY 66 19.242 21.361 16.505 498 HA2 GLY 66 HA2 GLY 66 17.722 22.683 17.718 499 HA3 GLY 66 HA3 GLY 66 18.152 24.081 16.742 500 H SER 67 H SER 67 16.165 24.785 16.126 501 HA SER 67 HA SER 67 13.853 23.342 15.845 502 HB2 SER 67 HB2 SER 67 14.513 25.911 14.368 503 HB3 SER 67 HB3 SER 67 12.892 25.318 14.781 504 HG SER 67 HG SER 67 13.795 26.910 16.253 505 H GLY 68 H GLY 68 12.738 22.268 14.368 506 HA2 GLY 68 HA2 GLY 68 13.869 21.284 11.896 507 HA3 GLY 68 HA3 GLY 68 12.260 20.988 12.537 508 H GLY 69 H GLY 69 11.442 21.137 10.371 509 HA2 GLY 69 HA2 GLY 69 11.597 23.479 8.722 510 HA3 GLY 69 HA3 GLY 69 10.386 22.203 8.609 511 H SER 70 H SER 70 10.165 25.182 8.394 512 HA SER 70 HA SER 70 8.868 26.175 10.783 513 HB2 SER 70 HB2 SER 70 8.519 28.203 9.409 514 HB3 SER 70 HB3 SER 70 10.195 27.627 9.397 515 HG SER 70 HG SER 70 9.465 28.157 7.275 516 H ARG 71 H ARG 71 7.645 24.518 7.994 517 HA ARG 71 HA ARG 71 4.818 24.948 8.873 518 HB2 ARG 71 HB2 ARG 71 5.857 25.110 6.004 519 HB3 ARG 71 HB3 ARG 71 4.152 25.073 6.464 520 HG2 ARG 71 HG2 ARG 71 4.455 27.189 7.752 521 HG3 ARG 71 HG3 ARG 71 6.139 27.265 7.198 522 HD2 ARG 71 HD2 ARG 71 5.372 27.297 4.848 523 HD3 ARG 71 HD3 ARG 71 3.693 27.259 5.373 524 HE ARG 71 HE ARG 71 5.580 29.525 5.469 525 HH11 ARG 71 HH11 ARG 71 2.446 28.431 6.615 526 HH12 ARG 71 HH12 ARG 71 1.912 30.052 6.964 527 HH21 ARG 71 HH21 ARG 71 4.830 31.556 5.942 528 HH22 ARG 71 HH22 ARG 71 3.232 31.773 6.590 529 H LYS 72 H LYS 72 3.344 23.340 8.266 530 HA LYS 72 HA LYS 72 4.407 20.587 8.066 531 HB2 LYS 72 HB2 LYS 72 1.568 21.674 8.321 532 HB3 LYS 72 HB3 LYS 72 1.995 19.959 8.289 533 HG2 LYS 72 HG2 LYS 72 3.402 20.261 10.317 534 HG3 LYS 72 HG3 LYS 72 2.917 21.965 10.392 535 HD2 LYS 72 HD2 LYS 72 0.541 21.291 10.625 536 HD3 LYS 72 HD3 LYS 72 1.021 19.577 10.553 537 HE2 LYS 72 HE2 LYS 72 2.430 19.896 12.583 538 HE3 LYS 72 HE3 LYS 72 1.948 21.596 12.656 539 HZ1 LYS 72 HZ1 LYS 72 0.082 19.288 12.916 540 HZ2 LYS 72 HZ2 LYS 72 0.596 20.227 14.146 541 HZ3 LYS 72 HZ3 LYS 72 -0.361 20.861 12.986 542 H ASP 73 H ASP 73 3.419 19.054 6.543 543 HA ASP 73 HA ASP 73 2.683 20.176 3.886 544 HB2 ASP 73 HB2 ASP 73 5.159 19.800 3.973 545 HB3 ASP 73 HB3 ASP 73 4.859 18.098 4.325 546 H LEU 74 H LEU 74 1.455 18.801 2.555 547 HA LEU 74 HA LEU 74 0.702 16.126 3.527 548 HB2 LEU 74 HB2 LEU 74 -0.876 17.753 4.582 549 HB3 LEU 74 HB3 LEU 74 -1.297 18.363 2.982 550 HG LEU 74 HG LEU 74 -2.203 16.117 2.390 551 HD11 LEU 74 HD11 LEU 74 -1.711 15.471 5.329 552 HD12 LEU 74 HD12 LEU 74 -2.682 14.491 4.212 553 HD13 LEU 74 HD13 LEU 74 -0.947 14.662 3.943 554 HD21 LEU 74 HD21 LEU 74 -3.668 17.906 3.273 555 HD22 LEU 74 HD22 LEU 74 -4.238 16.299 3.753 556 HD23 LEU 74 HD23 LEU 74 -3.378 17.322 4.926 557 H SER 75 H SER 75 0.288 14.710 1.909 558 HA SER 75 HA SER 75 1.316 15.273 -0.632 559 HB2 SER 75 HB2 SER 75 -0.300 12.839 0.188 560 HB3 SER 75 HB3 SER 75 0.917 12.940 -1.101 561 HG SER 75 HG SER 75 1.789 12.041 0.837 562 H VAL 76 H VAL 76 -1.814 16.112 0.196 563 HA VAL 76 HA VAL 76 -3.218 15.203 -2.179 564 HB VAL 76 HB VAL 76 -5.085 16.555 -1.430 565 HG11 VAL 76 HG11 VAL 76 -5.533 15.451 0.676 566 HG12 VAL 76 HG12 VAL 76 -4.713 14.333 -0.425 567 HG13 VAL 76 HG13 VAL 76 -3.815 15.083 0.913 568 HG21 VAL 76 HG21 VAL 76 -3.227 17.640 0.737 569 HG22 VAL 76 HG22 VAL 76 -4.004 18.561 -0.570 570 HG23 VAL 76 HG23 VAL 76 -4.989 17.832 0.696 571 H LYS 77 H LYS 77 -1.100 17.861 -1.706 572 HA LYS 77 HA LYS 77 -2.196 19.384 -4.027 573 HB2 LYS 77 HB2 LYS 77 -0.015 20.101 -2.025 574 HB3 LYS 77 HB3 LYS 77 -0.539 21.110 -3.378 575 HG2 LYS 77 HG2 LYS 77 -2.854 21.172 -2.408 576 HG3 LYS 77 HG3 LYS 77 -2.287 20.208 -1.045 577 HD2 LYS 77 HD2 LYS 77 -2.357 22.496 -0.330 578 HD3 LYS 77 HD3 LYS 77 -0.684 21.970 -0.416 579 HE2 LYS 77 HE2 LYS 77 -0.755 24.192 -1.263 580 HE3 LYS 77 HE3 LYS 77 -0.454 23.137 -2.638 581 HZ1 LYS 77 HZ1 LYS 77 -2.840 23.355 -3.225 582 HZ2 LYS 77 HZ2 LYS 77 -3.108 24.301 -1.913 583 HZ3 LYS 77 HZ3 LYS 77 -2.153 24.830 -3.122 584 H GLY 78 H GLY 78 -1.151 19.626 -5.920 585 HA2 GLY 78 HA2 GLY 78 1.441 19.471 -6.694 586 HA3 GLY 78 HA3 GLY 78 1.019 17.761 -6.615 587 H MET 79 H MET 79 1.860 18.765 -8.960 588 HA MET 79 HA MET 79 -0.511 18.449 -10.717 589 HB2 MET 79 HB2 MET 79 1.576 20.649 -11.049 590 HB3 MET 79 HB3 MET 79 0.386 20.180 -12.269 591 HG2 MET 79 HG2 MET 79 -1.443 20.748 -10.676 592 HG3 MET 79 HG3 MET 79 -0.229 21.326 -9.526 593 HE1 MET 79 HE1 MET 79 -1.490 23.645 -9.328 594 HE2 MET 79 HE2 MET 79 -1.951 24.633 -10.730 595 HE3 MET 79 HE3 MET 79 -2.716 23.051 -10.472 596 H LEU 80 H LEU 80 -0.085 17.535 -12.709 597 HA LEU 80 HA LEU 80 0.777 16.045 -14.151 598 HB2 LEU 80 HB2 LEU 80 3.500 17.231 -13.538 599 HB3 LEU 80 HB3 LEU 80 3.045 16.316 -14.967 600 HG LEU 80 HG LEU 80 1.974 19.076 -14.232 601 HD11 LEU 80 HD11 LEU 80 3.296 19.828 -16.153 602 HD12 LEU 80 HD12 LEU 80 4.337 19.063 -14.943 603 HD13 LEU 80 HD13 LEU 80 3.896 18.172 -16.416 604 HD21 LEU 80 HD21 LEU 80 0.281 17.821 -15.516 605 HD22 LEU 80 HD22 LEU 80 1.019 19.070 -16.519 606 HD23 LEU 80 HD23 LEU 80 1.509 17.374 -16.724 607 H TYR 81 H TYR 81 2.437 14.243 -14.547 608 HA TYR 81 HA TYR 81 3.300 12.836 -12.110 609 HB2 TYR 81 HB2 TYR 81 2.080 10.814 -12.614 610 HB3 TYR 81 HB3 TYR 81 0.965 12.138 -12.369 611 HD1 TYR 81 HD1 TYR 81 -0.359 13.060 -14.264 612 HD2 TYR 81 HD2 TYR 81 2.318 9.713 -14.788 613 HE1 TYR 81 HE1 TYR 81 -1.445 12.525 -16.445 614 HE2 TYR 81 HE2 TYR 81 1.235 9.187 -16.961 615 HH TYR 81 HH TYR 81 -0.393 9.769 -18.486 616 H ASP 82 H ASP 82 4.665 11.015 -12.511 617 HA ASP 82 HA ASP 82 5.624 10.372 -15.171 618 HB2 ASP 82 HB2 ASP 82 6.933 12.461 -14.688 619 HB3 ASP 82 HB3 ASP 82 7.530 11.717 -13.203 620 H SER 83 H SER 83 7.114 8.525 -15.121 621 HA SER 83 HA SER 83 6.388 6.562 -13.190 622 HB2 SER 83 HB2 SER 83 7.156 6.242 -15.596 623 HB3 SER 83 HB3 SER 83 8.814 6.474 -15.010 624 HG SER 83 HG SER 83 8.182 4.239 -15.075 625 H ASP 84 H ASP 84 9.202 8.770 -13.259 626 HA ASP 84 HA ASP 84 10.038 7.716 -10.568 627 HB2 ASP 84 HB2 ASP 84 11.821 8.133 -13.000 628 HB3 ASP 84 HB3 ASP 84 12.422 7.950 -11.355 629 H SER 85 H SER 85 10.558 10.440 -12.925 630 HA SER 85 HA SER 85 12.154 11.904 -11.049 631 HB2 SER 85 HB2 SER 85 10.655 12.812 -13.525 632 HB3 SER 85 HB3 SER 85 11.747 13.843 -12.576 633 HG SER 85 HG SER 85 12.712 11.319 -13.415 634 H GLN 86 H GLN 86 8.620 12.016 -11.561 635 HA GLN 86 HA GLN 86 8.283 14.321 -9.801 636 HB2 GLN 86 HB2 GLN 86 6.343 12.277 -10.925 637 HB3 GLN 86 HB3 GLN 86 5.837 13.572 -9.846 638 HG2 GLN 86 HG2 GLN 86 7.260 14.032 -12.507 639 HG3 GLN 86 HG3 GLN 86 5.516 14.074 -12.284 640 HE21 GLN 86 HE22 GLN 86 6.591 16.310 -13.381 641 HE22 GLN 86 HE21 GLN 86 6.619 17.594 -12.187 642 H GLN 87 H GLN 87 8.357 10.788 -9.242 643 HA GLN 87 HA GLN 87 7.503 10.984 -6.468 644 HB2 GLN 87 HB2 GLN 87 9.140 8.831 -7.878 645 HB3 GLN 87 HB3 GLN 87 8.404 8.677 -6.293 646 HG2 GLN 87 HG2 GLN 87 6.887 9.056 -8.920 647 HG3 GLN 87 HG3 GLN 87 7.122 7.533 -8.076 648 HE21 GLN 87 HE22 GLN 87 4.545 8.213 -8.659 649 HE22 GLN 87 HE21 GLN 87 3.721 8.692 -7.184 650 H ILE 88 H ILE 88 10.733 10.754 -8.043 651 HA ILE 88 HA ILE 88 12.274 11.102 -5.640 652 HB ILE 88 HB ILE 88 12.833 11.464 -8.601 653 HG12 ILE 88 HG12 ILE 88 14.684 9.836 -8.002 654 HG13 ILE 88 HG13 ILE 88 14.051 9.778 -6.363 655 HG21 ILE 88 HG21 ILE 88 14.103 13.333 -7.671 656 HG22 ILE 88 HG22 ILE 88 14.728 12.302 -6.363 657 HG23 ILE 88 HG23 ILE 88 15.210 12.022 -8.044 658 HD11 ILE 88 HD11 ILE 88 13.375 7.819 -7.652 659 HD12 ILE 88 HD12 ILE 88 11.930 8.765 -7.277 660 HD13 ILE 88 HD13 ILE 88 12.651 8.840 -8.904 661 H LEU 89 H LEU 89 11.094 13.589 -7.988 662 HA LEU 89 HA LEU 89 12.044 15.802 -6.521 663 HB2 LEU 89 HB2 LEU 89 11.164 15.959 -8.812 664 HB3 LEU 89 HB3 LEU 89 9.547 15.568 -8.256 665 HG LEU 89 HG LEU 89 9.347 17.671 -7.062 666 HD11 LEU 89 HD11 LEU 89 11.593 18.091 -6.229 667 HD12 LEU 89 HD12 LEU 89 12.237 18.178 -7.880 668 HD13 LEU 89 HD13 LEU 89 11.138 19.434 -7.270 669 HD21 LEU 89 HD21 LEU 89 8.867 17.637 -9.492 670 HD22 LEU 89 HD22 LEU 89 9.432 19.222 -8.941 671 HD23 LEU 89 HD23 LEU 89 10.539 18.151 -9.819 672 H ASN 90 H ASN 90 8.791 14.174 -6.131 673 HA ASN 90 HA ASN 90 7.958 15.997 -4.129 674 HB2 ASN 90 HB2 ASN 90 6.502 14.374 -5.402 675 HB3 ASN 90 HB3 ASN 90 7.137 13.069 -4.393 676 HD21 ASN 90 HD22 ASN 90 4.879 12.718 -3.702 677 HD22 ASN 90 HD21 ASN 90 4.187 13.790 -2.499 678 H ARG 91 H ARG 91 9.746 12.848 -3.709 679 HA ARG 91 HA ARG 91 9.811 13.186 -0.825 680 HB2 ARG 91 HB2 ARG 91 9.996 10.996 -1.972 681 HB3 ARG 91 HB3 ARG 91 11.549 11.485 -2.649 682 HG2 ARG 91 HG2 ARG 91 11.779 9.976 -0.695 683 HG3 ARG 91 HG3 ARG 91 12.550 11.537 -0.402 684 HD2 ARG 91 HD2 ARG 91 10.675 12.279 0.969 685 HD3 ARG 91 HD3 ARG 91 9.757 10.804 0.566 686 HE ARG 91 HE ARG 91 12.286 10.090 1.719 687 HH11 ARG 91 HH11 ARG 91 9.312 11.657 2.815 688 HH12 ARG 91 HH12 ARG 91 9.491 10.998 4.423 689 HH21 ARG 91 HH21 ARG 91 12.327 9.150 3.628 690 HH22 ARG 91 HH22 ARG 91 11.247 9.655 4.923 691 H LEU 92 H LEU 92 12.060 14.215 -3.392 692 HA LEU 92 HA LEU 92 14.089 15.227 -1.609 693 HB2 LEU 92 HB2 LEU 92 14.361 14.719 -4.034 694 HB3 LEU 92 HB3 LEU 92 13.257 16.039 -4.422 695 HG LEU 92 HG LEU 92 14.903 17.666 -3.461 696 HD11 LEU 92 HD11 LEU 92 16.722 15.223 -3.292 697 HD12 LEU 92 HD12 LEU 92 17.228 16.918 -3.103 698 HD13 LEU 92 HD13 LEU 92 16.147 16.187 -1.913 699 HD21 LEU 92 HD21 LEU 92 14.834 17.191 -5.868 700 HD22 LEU 92 HD22 LEU 92 16.513 17.397 -5.348 701 HD23 LEU 92 HD23 LEU 92 15.887 15.773 -5.642 702 H ARG 93 H ARG 93 11.079 16.648 -2.922 703 HA ARG 93 HA ARG 93 11.445 19.316 -1.860 704 HB2 ARG 93 HB2 ARG 93 9.906 18.712 -3.711 705 HB3 ARG 93 HB3 ARG 93 8.960 17.724 -2.603 706 HG2 ARG 93 HG2 ARG 93 8.557 19.937 -1.270 707 HG3 ARG 93 HG3 ARG 93 9.204 20.744 -2.701 708 HD2 ARG 93 HD2 ARG 93 6.791 20.683 -2.916 709 HD3 ARG 93 HD3 ARG 93 7.461 19.559 -4.088 710 HE ARG 93 HE ARG 93 6.514 17.747 -2.932 711 HH11 ARG 93 HH21 ARG 93 6.039 20.600 -0.924 712 HH12 ARG 93 HH22 ARG 93 5.064 19.688 0.216 713 HH21 ARG 93 HH11 ARG 93 5.447 16.687 -1.345 714 HH22 ARG 93 HH12 ARG 93 4.941 17.559 0.111 715 H GLU 94 H GLU 94 9.787 16.381 -0.521 716 HA GLU 94 HA GLU 94 9.039 17.524 1.984 717 HB2 GLU 94 HB2 GLU 94 9.991 14.713 1.302 718 HB3 GLU 94 HB3 GLU 94 9.302 15.168 2.854 719 HG2 GLU 94 HG2 GLU 94 7.163 15.598 1.886 720 HG3 GLU 94 HG3 GLU 94 7.808 15.522 0.245 721 H ARG 95 H ARG 95 12.061 15.752 1.139 722 HA ARG 95 HA ARG 95 13.325 16.009 3.678 723 HB2 ARG 95 HB2 ARG 95 14.434 15.606 0.869 724 HB3 ARG 95 HB3 ARG 95 15.423 15.490 2.328 725 HG2 ARG 95 HG2 ARG 95 14.219 13.583 3.150 726 HG3 ARG 95 HG3 ARG 95 12.928 13.780 1.970 727 HD2 ARG 95 HD2 ARG 95 14.310 11.977 1.214 728 HD3 ARG 95 HD3 ARG 95 14.550 13.332 0.124 729 HE ARG 95 HE ARG 95 16.699 13.791 1.105 730 HH11 ARG 95 HH21 ARG 95 15.439 10.661 2.166 731 HH12 ARG 95 HH22 ARG 95 16.956 10.257 2.945 732 HH21 ARG 95 HH11 ARG 95 18.526 13.214 2.058 733 HH22 ARG 95 HH12 ARG 95 18.707 11.634 2.799 734 H VAL 96 H VAL 96 13.572 18.165 0.825 735 HA VAL 96 HA VAL 96 15.507 19.895 2.190 736 HB VAL 96 HB VAL 96 14.109 20.144 -0.493 737 HG11 VAL 96 HG11 VAL 96 14.680 22.409 0.225 738 HG12 VAL 96 HG12 VAL 96 16.292 21.877 0.755 739 HG13 VAL 96 HG13 VAL 96 15.868 21.885 -0.970 740 HG21 VAL 96 HG21 VAL 96 15.791 18.298 -0.273 741 HG22 VAL 96 HG22 VAL 96 16.349 19.578 -1.344 742 HG23 VAL 96 HG23 VAL 96 16.983 19.477 0.311 743 H SER 97 H SER 97 11.992 20.295 1.269 744 HA SER 97 HA SER 97 11.977 22.943 2.352 745 HB2 SER 97 HB2 SER 97 9.601 22.971 2.104 746 HB3 SER 97 HB3 SER 97 10.333 22.218 0.683 747 HG SER 97 HG SER 97 9.718 20.222 1.427 748 H GLY 98 H GLY 98 11.328 19.759 3.819 749 HA2 GLY 98 HA2 GLY 98 10.478 20.790 6.409 750 HA3 GLY 98 HA3 GLY 98 10.851 19.124 5.970 751 H SER 99 H SER 99 13.508 21.053 5.092 752 HA SER 99 HA SER 99 15.202 19.931 7.128 753 HB2 SER 99 HB2 SER 99 15.887 20.512 4.786 754 HB3 SER 99 HB3 SER 99 15.856 22.227 5.256 755 HG SER 99 HG SER 99 17.962 21.235 5.484 756 H THR 100 H THR 100 16.715 21.278 8.485 757 HA THR 100 HA THR 100 15.119 22.535 10.484 758 HB THR 100 HB THR 100 17.364 23.046 11.565 759 HG1 THR 100 HG1 THR 100 19.123 21.863 10.603 760 HG21 THR 100 HG21 THR 100 16.785 20.170 10.723 761 HG22 THR 100 HG22 THR 100 17.839 20.669 12.071 762 HG23 THR 100 HG23 THR 100 16.114 21.019 12.137 763 H ALA 101 H ALA 101 14.587 24.539 10.944 764 HA ALA 101 HA ALA 101 15.464 26.815 9.330 765 HB1 ALA 101 HB1 ALA 101 13.698 26.625 11.815 766 HB2 ALA 101 HB2 ALA 101 13.888 28.048 10.767 767 HB3 ALA 101 HB3 ALA 101 13.142 26.573 10.128 768 H GLN 102 H GLN 102 16.470 25.342 12.339 769 HA GLN 102 HA GLN 102 18.082 25.773 13.844 770 HB2 GLN 102 HB2 GLN 102 19.470 27.331 11.650 771 HB3 GLN 102 HB3 GLN 102 20.196 26.517 13.034 772 HG2 GLN 102 HG2 GLN 102 19.256 24.327 12.082 773 HG3 GLN 102 HG3 GLN 102 18.929 25.233 10.596 774 HE21 GLN 102 HE22 GLN 102 20.985 26.579 9.796 775 HE22 GLN 102 HE21 GLN 102 22.519 25.736 9.954 776 H SER 103 H SER 103 15.908 27.852 13.789 777 HA SER 103 HA SER 103 17.234 29.832 15.548 778 HB2 SER 103 HB2 SER 103 17.236 30.731 13.190 779 HB3 SER 103 HB3 SER 103 15.462 30.683 13.227 780 HG SER 103 HG SER 103 16.343 32.750 13.844 781 H ALA 104 H ALA 104 15.808 30.980 16.912 782 HA ALA 104 HA ALA 104 12.997 30.119 17.166 783 HB1 ALA 104 HB1 ALA 104 13.306 29.502 19.541 784 HB2 ALA 104 HB2 ALA 104 14.236 28.432 18.473 785 HB3 ALA 104 HB3 ALA 104 15.059 29.724 19.378 Start of MODEL 7 1 H1 SER 1 H1 SER 1 18.064 -12.973 15.978 2 H2 SER 1 H2 SER 1 17.376 -12.065 17.160 3 H3 SER 1 H3 SER 1 18.008 -13.533 17.518 4 HA SER 1 HA SER 1 16.344 -14.653 16.199 5 HB2 SER 1 HB2 SER 1 14.331 -14.085 17.586 6 HB3 SER 1 HB3 SER 1 15.792 -14.388 18.532 7 HG SER 1 HG SER 1 14.657 -12.500 19.230 8 H VAL 2 H VAL 2 14.239 -14.505 15.090 9 HA VAL 2 HA VAL 2 14.308 -12.459 13.031 10 HB VAL 2 HB VAL 2 13.755 -14.822 12.611 11 HG11 VAL 2 HG11 VAL 2 12.260 -15.281 14.555 12 HG12 VAL 2 HG12 VAL 2 11.024 -14.232 13.828 13 HG13 VAL 2 HG13 VAL 2 11.533 -15.716 13.004 14 HG21 VAL 2 HG21 VAL 2 12.072 -14.441 10.938 15 HG22 VAL 2 HG22 VAL 2 11.523 -12.955 11.727 16 HG23 VAL 2 HG23 VAL 2 13.147 -13.038 10.999 17 H SER 3 H SER 3 12.785 -10.873 12.518 18 HA SER 3 HA SER 3 10.593 -10.253 14.395 19 HB2 SER 3 HB2 SER 3 12.688 -9.082 15.212 20 HB3 SER 3 HB3 SER 3 12.661 -8.140 13.706 21 HG SER 3 HG SER 3 11.552 -7.111 15.486 22 H ILE 4 H ILE 4 9.193 -8.542 13.581 23 HA ILE 4 HA ILE 4 8.637 -9.009 10.737 24 HB ILE 4 HB ILE 4 6.486 -8.116 11.098 25 HG12 ILE 4 HG12 ILE 4 6.810 -6.205 12.509 26 HG13 ILE 4 HG13 ILE 4 5.592 -7.268 13.177 27 HG21 ILE 4 HG21 ILE 4 5.580 -9.687 12.710 28 HG22 ILE 4 HG22 ILE 4 6.874 -10.436 11.763 29 HG23 ILE 4 HG23 ILE 4 7.180 -9.936 13.435 30 HD11 ILE 4 HD11 ILE 4 8.423 -6.870 14.222 31 HD12 ILE 4 HD12 ILE 4 6.907 -6.373 14.976 32 HD13 ILE 4 HD13 ILE 4 7.295 -8.097 14.855 33 H LEU 5 H LEU 5 8.027 -7.363 9.236 34 HA LEU 5 HA LEU 5 9.685 -4.980 9.227 35 HB2 LEU 5 HB2 LEU 5 9.092 -6.160 7.161 36 HB3 LEU 5 HB3 LEU 5 7.378 -5.910 7.480 37 HG LEU 5 HG LEU 5 7.680 -3.452 7.209 38 HD11 LEU 5 HD11 LEU 5 9.753 -2.591 6.163 39 HD12 LEU 5 HD12 LEU 5 10.082 -3.216 7.780 40 HD13 LEU 5 HD13 LEU 5 10.519 -4.185 6.353 41 HD21 LEU 5 HD21 LEU 5 8.707 -5.105 4.867 42 HD22 LEU 5 HD22 LEU 5 7.001 -4.887 5.316 43 HD23 LEU 5 HD23 LEU 5 7.953 -3.496 4.784 44 H ARG 6 H ARG 6 9.204 -2.976 9.939 45 HA ARG 6 HA ARG 6 6.401 -2.242 10.698 46 HB2 ARG 6 HB2 ARG 6 8.967 -1.597 12.217 47 HB3 ARG 6 HB3 ARG 6 7.379 -0.904 12.561 48 HG2 ARG 6 HG2 ARG 6 6.483 -3.194 13.034 49 HG3 ARG 6 HG3 ARG 6 8.085 -3.872 12.716 50 HD2 ARG 6 HD2 ARG 6 7.832 -3.700 15.083 51 HD3 ARG 6 HD3 ARG 6 9.025 -2.499 14.562 52 HE ARG 6 HE ARG 6 6.330 -1.401 14.704 53 HH11 ARG 6 HH11 ARG 6 9.022 -2.221 16.794 54 HH12 ARG 6 HH12 ARG 6 8.558 -1.057 18.004 55 HH21 ARG 6 HH21 ARG 6 5.802 0.075 16.279 56 HH22 ARG 6 HH22 ARG 6 6.768 0.197 17.719 57 H SER 7 H SER 7 5.801 -0.142 10.424 58 HA SER 7 HA SER 7 5.448 1.720 9.207 59 HB2 SER 7 HB2 SER 7 8.456 2.098 9.322 60 HB3 SER 7 HB3 SER 7 7.259 3.335 8.913 61 HG SER 7 HG SER 7 7.859 3.426 11.133 62 H SER 8 H SER 8 5.927 2.982 7.125 63 HA SER 8 HA SER 8 5.598 1.340 4.865 64 HB2 SER 8 HB2 SER 8 6.592 4.216 4.981 65 HB3 SER 8 HB3 SER 8 5.909 3.400 3.557 66 HG SER 8 HG SER 8 4.323 4.645 4.689 67 H VAL 9 H VAL 9 6.925 0.846 3.061 68 HA VAL 9 HA VAL 9 9.865 0.817 3.673 69 HB VAL 9 HB VAL 9 8.697 -1.298 4.082 70 HG11 VAL 9 HG11 VAL 9 7.067 -1.300 2.201 71 HG12 VAL 9 HG12 VAL 9 8.414 -1.515 1.055 72 HG13 VAL 9 HG13 VAL 9 8.054 -2.763 2.254 73 HG21 VAL 9 HG21 VAL 9 10.390 -2.714 3.074 74 HG22 VAL 9 HG22 VAL 9 10.814 -1.448 1.909 75 HG23 VAL 9 HG23 VAL 9 11.117 -1.207 3.644 76 H ASN 10 H ASN 10 7.576 1.123 0.909 77 HA ASN 10 HA ASN 10 9.752 1.057 -0.982 78 HB2 ASN 10 HB2 ASN 10 6.870 1.973 -1.316 79 HB3 ASN 10 HB3 ASN 10 8.020 1.712 -2.631 80 HD21 ASN 10 HD22 ASN 10 9.152 -0.576 -2.551 81 HD22 ASN 10 HD21 ASN 10 8.011 -1.894 -2.253 82 H HIS 11 H HIS 11 8.484 3.739 0.906 83 HA HIS 11 HA HIS 11 9.560 5.821 -0.801 84 HB2 HIS 11 HB2 HIS 11 9.079 7.303 0.957 85 HB3 HIS 11 HB3 HIS 11 7.795 6.103 1.003 86 HD2 HIS 11 HD2 HIS 11 9.977 7.941 3.251 87 HE1 HIS 11 HE1 HIS 11 9.316 4.320 5.385 88 HE2 HIS 11 HE2 HIS 11 10.178 6.703 5.566 89 H ARG 12 H ARG 12 11.009 3.702 1.621 90 HA ARG 12 HA ARG 12 13.474 5.116 2.035 91 HB2 ARG 12 HB2 ARG 12 13.123 2.089 2.016 92 HB3 ARG 12 HB3 ARG 12 14.354 3.026 2.858 93 HG2 ARG 12 HG2 ARG 12 12.562 4.018 4.322 94 HG3 ARG 12 HG3 ARG 12 11.368 3.018 3.482 95 HD2 ARG 12 HD2 ARG 12 12.874 1.005 4.170 96 HD3 ARG 12 HD3 ARG 12 13.601 2.137 5.323 97 HE ARG 12 HE ARG 12 10.679 2.134 5.425 98 HH11 ARG 12 HH11 ARG 12 13.420 0.378 6.751 99 HH12 ARG 12 HH12 ARG 12 12.432 -0.351 7.991 100 HH21 ARG 12 HH21 ARG 12 9.520 1.123 6.843 101 HH22 ARG 12 HH22 ARG 12 10.201 0.107 8.088 102 H GLU 13 H GLU 13 12.437 2.921 -0.559 103 HA GLU 13 HA GLU 13 15.001 2.620 -1.829 104 HB2 GLU 13 HB2 GLU 13 12.229 2.557 -3.089 105 HB3 GLU 13 HB3 GLU 13 13.716 1.917 -3.785 106 HG2 GLU 13 HG2 GLU 13 13.881 0.273 -1.930 107 HG3 GLU 13 HG3 GLU 13 12.380 0.889 -1.242 108 H VAL 14 H VAL 14 12.385 5.059 -2.232 109 HA VAL 14 HA VAL 14 13.771 6.515 -4.338 110 HB VAL 14 HB VAL 14 11.544 7.513 -2.520 111 HG11 VAL 14 HG11 VAL 14 12.680 9.325 -3.779 112 HG12 VAL 14 HG12 VAL 14 12.495 8.394 -5.279 113 HG13 VAL 14 HG13 VAL 14 11.065 9.031 -4.439 114 HG21 VAL 14 HG21 VAL 14 10.781 5.476 -3.687 115 HG22 VAL 14 HG22 VAL 14 10.030 6.903 -4.404 116 HG23 VAL 14 HG23 VAL 14 11.390 6.112 -5.229 117 H ASP 15 H ASP 15 13.592 6.870 -0.764 118 HA ASP 15 HA ASP 15 15.178 9.245 -0.580 119 HB2 ASP 15 HB2 ASP 15 13.790 8.207 1.233 120 HB3 ASP 15 HB3 ASP 15 14.992 6.922 1.381 121 H GLU 16 H GLU 16 16.156 5.770 -0.527 122 HA GLU 16 HA GLU 16 18.973 6.193 -0.416 123 HB2 GLU 16 HB2 GLU 16 17.934 4.050 0.084 124 HB3 GLU 16 HB3 GLU 16 17.301 3.920 -1.561 125 HG2 GLU 16 HG2 GLU 16 19.555 3.759 -2.486 126 HG3 GLU 16 HG3 GLU 16 20.268 4.058 -0.899 127 H ALA 17 H ALA 17 16.779 5.951 -3.289 128 HA ALA 17 HA ALA 17 18.882 6.100 -5.201 129 HB1 ALA 17 HB1 ALA 17 17.078 6.688 -6.793 130 HB2 ALA 17 HB2 ALA 17 16.600 5.339 -5.749 131 HB3 ALA 17 HB3 ALA 17 15.961 6.971 -5.445 132 H ILE 18 H ILE 18 16.936 8.682 -3.631 133 HA ILE 18 HA ILE 18 18.176 10.926 -4.922 134 HB ILE 18 HB ILE 18 16.671 10.492 -2.333 135 HG12 ILE 18 HG12 ILE 18 16.058 12.247 -4.750 136 HG13 ILE 18 HG13 ILE 18 15.581 10.559 -4.638 137 HG21 ILE 18 HG21 ILE 18 16.691 13.000 -1.996 138 HG22 ILE 18 HG22 ILE 18 18.219 12.201 -1.650 139 HG23 ILE 18 HG23 ILE 18 18.017 13.096 -3.165 140 HD11 ILE 18 HD11 ILE 18 14.631 12.777 -2.787 141 HD12 ILE 18 HD12 ILE 18 13.699 11.937 -4.033 142 HD13 ILE 18 HD13 ILE 18 14.249 11.050 -2.593 143 H ASP 19 H ASP 19 19.086 9.214 -1.853 144 HA ASP 19 HA ASP 19 21.367 10.867 -1.387 145 HB2 ASP 19 HB2 ASP 19 20.038 9.016 0.071 146 HB3 ASP 19 HB3 ASP 19 21.378 8.010 -0.455 147 H ASN 20 H ASN 20 21.037 7.842 -3.276 148 HA ASN 20 HA ASN 20 23.814 7.518 -3.878 149 HB2 ASN 20 HB2 ASN 20 22.115 5.743 -4.142 150 HB3 ASN 20 HB3 ASN 20 21.310 6.670 -5.410 151 HD21 ASN 20 HD22 ASN 20 24.339 4.928 -4.597 152 HD22 ASN 20 HD21 ASN 20 24.798 4.686 -6.272 153 H ILE 21 H ILE 21 21.239 9.400 -5.577 154 HA ILE 21 HA ILE 21 22.978 10.332 -7.700 155 HB ILE 21 HB ILE 21 20.314 11.273 -6.586 156 HG12 ILE 21 HG12 ILE 21 21.039 10.322 -9.389 157 HG13 ILE 21 HG13 ILE 21 20.648 9.183 -8.099 158 HG21 ILE 21 HG21 ILE 21 21.339 13.354 -7.266 159 HG22 ILE 21 HG22 ILE 21 22.026 12.610 -8.728 160 HG23 ILE 21 HG23 ILE 21 20.280 12.874 -8.579 161 HD11 ILE 21 HD11 ILE 21 18.426 10.239 -7.797 162 HD12 ILE 21 HD12 ILE 21 18.776 11.340 -9.147 163 HD13 ILE 21 HD13 ILE 21 18.670 9.596 -9.434 164 H LEU 22 H LEU 22 22.046 11.749 -4.541 165 HA LEU 22 HA LEU 22 23.514 14.138 -4.672 166 HB2 LEU 22 HB2 LEU 22 21.811 13.452 -2.982 167 HB3 LEU 22 HB3 LEU 22 22.935 12.266 -2.338 168 HG LEU 22 HG LEU 22 24.490 14.153 -1.714 169 HD11 LEU 22 HD11 LEU 22 22.013 15.812 -2.410 170 HD12 LEU 22 HD12 LEU 22 23.426 16.400 -1.509 171 HD13 LEU 22 HD13 LEU 22 23.602 15.917 -3.197 172 HD21 LEU 22 HD21 LEU 22 21.694 14.105 -0.509 173 HD22 LEU 22 HD22 LEU 22 23.050 13.039 -0.083 174 HD23 LEU 22 HD23 LEU 22 23.150 14.767 0.273 175 H ARG 23 H ARG 23 24.633 10.906 -3.515 176 HA ARG 23 HA ARG 23 27.357 11.717 -3.039 177 HB2 ARG 23 HB2 ARG 23 26.201 9.783 -1.986 178 HB3 ARG 23 HB3 ARG 23 26.196 8.937 -3.540 179 HG2 ARG 23 HG2 ARG 23 28.673 8.918 -3.545 180 HG3 ARG 23 HG3 ARG 23 28.697 9.873 -2.047 181 HD2 ARG 23 HD2 ARG 23 27.537 8.045 -0.856 182 HD3 ARG 23 HD3 ARG 23 27.497 7.086 -2.357 183 HE ARG 23 HE ARG 23 30.197 7.811 -1.869 184 HH11 ARG 23 HH21 ARG 23 27.810 5.743 -0.331 185 HH12 ARG 23 HH22 ARG 23 29.028 4.695 0.346 186 HH21 ARG 23 HH12 ARG 23 31.688 6.422 -0.983 187 HH22 ARG 23 HH11 ARG 23 31.157 5.070 -0.026 188 H TYR 24 H TYR 24 25.859 10.037 -5.862 189 HA TYR 24 HA TYR 24 28.201 9.680 -7.398 190 HB2 TYR 24 HB2 TYR 24 26.151 8.574 -7.970 191 HB3 TYR 24 HB3 TYR 24 25.287 10.102 -8.109 192 HD1 TYR 24 HD2 TYR 24 28.272 8.380 -9.657 193 HD2 TYR 24 HD1 TYR 24 24.819 10.906 -10.232 194 HE1 TYR 24 HE2 TYR 24 28.751 8.484 -12.098 195 HE2 TYR 24 HE1 TYR 24 25.298 11.001 -12.678 196 HH TYR 24 HH TYR 24 28.100 9.300 -14.142 197 H THR 25 H THR 25 26.006 12.533 -7.285 198 HA THR 25 HA THR 25 27.722 13.992 -9.184 199 HB THR 25 HB THR 25 26.120 15.811 -8.993 200 HG1 THR 25 HG1 THR 25 24.562 14.108 -7.343 201 HG21 THR 25 HG21 THR 25 24.235 14.759 -10.048 202 HG22 THR 25 HG22 THR 25 25.682 13.877 -10.568 203 HG23 THR 25 HG23 THR 25 24.613 13.183 -9.335 204 H ASN 26 H ASN 26 28.086 13.417 -5.940 205 HA ASN 26 HA ASN 26 29.122 14.420 -4.210 206 HB2 ASN 26 HB2 ASN 26 30.822 15.531 -6.477 207 HB3 ASN 26 HB3 ASN 26 31.256 15.618 -4.779 208 HD21 ASN 26 HD22 ASN 26 30.957 13.418 -7.529 209 HD22 ASN 26 HD21 ASN 26 31.741 12.079 -6.713 210 H SER 27 H SER 27 26.752 15.697 -4.908 211 HA SER 27 HA SER 27 27.241 18.632 -4.830 212 HB2 SER 27 HB2 SER 27 24.908 18.749 -5.623 213 HB3 SER 27 HB3 SER 27 25.924 17.746 -6.676 214 HG SER 27 HG SER 27 24.710 16.084 -6.222 215 H THR 28 H THR 28 25.420 19.924 -3.760 216 HA THR 28 HA THR 28 24.830 18.883 -1.028 217 HB THR 28 HB THR 28 24.227 21.060 -0.372 218 HG1 THR 28 HG1 THR 28 24.202 22.785 -1.907 219 HG21 THR 28 HG21 THR 28 26.597 21.518 -2.224 220 HG22 THR 28 HG22 THR 28 26.193 22.395 -0.737 221 HG23 THR 28 HG23 THR 28 26.707 20.701 -0.645 222 H GLU 29 H GLU 29 22.646 18.883 -0.213 223 HA GLU 29 HA GLU 29 20.699 17.920 -2.088 224 HB2 GLU 29 HB2 GLU 29 20.478 18.894 0.792 225 HB3 GLU 29 HB3 GLU 29 19.134 18.219 -0.128 226 HG2 GLU 29 HG2 GLU 29 20.530 16.181 -0.584 227 HG3 GLU 29 HG3 GLU 29 21.713 16.791 0.576 228 H GLN 30 H GLN 30 21.289 21.211 -0.863 229 HA GLN 30 HA GLN 30 18.873 22.347 -1.990 230 HB2 GLN 30 HB2 GLN 30 21.543 23.612 -1.231 231 HB3 GLN 30 HB3 GLN 30 20.111 24.507 -1.748 232 HG2 GLN 30 HG2 GLN 30 18.817 23.534 0.149 233 HG3 GLN 30 HG3 GLN 30 20.281 22.730 0.726 234 HE21 GLN 30 HE22 GLN 30 22.138 24.183 1.410 235 HE22 GLN 30 HE21 GLN 30 21.731 25.793 1.986 236 H GLN 31 H GLN 31 22.211 21.884 -3.313 237 HA GLN 31 HA GLN 31 21.612 23.192 -5.828 238 HB2 GLN 31 HB2 GLN 31 23.743 21.207 -4.961 239 HB3 GLN 31 HB3 GLN 31 23.656 21.840 -6.598 240 HG2 GLN 31 HG2 GLN 31 23.867 23.643 -4.149 241 HG3 GLN 31 HG3 GLN 31 25.260 23.045 -5.044 242 HE21 GLN 31 HE22 GLN 31 25.091 25.744 -4.850 243 HE22 GLN 31 HE21 GLN 31 24.561 26.421 -6.384 244 H PHE 32 H PHE 32 21.371 19.729 -4.793 245 HA PHE 32 HA PHE 32 20.492 18.838 -7.375 246 HB2 PHE 32 HB2 PHE 32 21.383 17.332 -5.632 247 HB3 PHE 32 HB3 PHE 32 19.986 17.670 -4.621 248 HD1 PHE 32 HD1 PHE 32 19.457 17.140 -8.296 249 HD2 PHE 32 HD2 PHE 32 19.623 15.255 -4.416 250 HE1 PHE 32 HE1 PHE 32 18.228 15.197 -9.189 251 HE2 PHE 32 HE2 PHE 32 18.421 13.288 -5.347 252 HZ PHE 32 HZ PHE 32 17.672 13.279 -7.707 253 H LEU 33 H LEU 33 18.585 19.925 -4.504 254 HA LEU 33 HA LEU 33 16.029 19.621 -5.702 255 HB2 LEU 33 HB2 LEU 33 16.451 19.941 -3.324 256 HB3 LEU 33 HB3 LEU 33 17.022 21.575 -3.593 257 HG LEU 33 HG LEU 33 14.776 21.357 -2.575 258 HD11 LEU 33 HD11 LEU 33 14.525 22.802 -5.233 259 HD12 LEU 33 HD12 LEU 33 13.703 23.133 -3.706 260 HD13 LEU 33 HD13 LEU 33 15.443 23.419 -3.836 261 HD21 LEU 33 HD21 LEU 33 13.826 20.403 -5.307 262 HD22 LEU 33 HD22 LEU 33 13.926 19.414 -3.830 263 HD23 LEU 33 HD23 LEU 33 12.813 20.790 -3.904 264 H GLU 34 H GLU 34 18.233 22.457 -5.801 265 HA GLU 34 HA GLU 34 16.491 24.060 -7.394 266 HB2 GLU 34 HB2 GLU 34 18.404 24.885 -6.040 267 HB3 GLU 34 HB3 GLU 34 19.526 24.184 -7.216 268 HG2 GLU 34 HG2 GLU 34 18.634 25.651 -8.976 269 HG3 GLU 34 HG3 GLU 34 17.397 26.265 -7.879 270 H ALA 35 H ALA 35 19.071 21.789 -8.417 271 HA ALA 35 HA ALA 35 18.808 22.269 -11.228 272 HB1 ALA 35 HB1 ALA 35 19.970 20.100 -11.451 273 HB2 ALA 35 HB2 ALA 35 20.726 21.102 -10.199 274 HB3 ALA 35 HB3 ALA 35 19.677 19.745 -9.736 275 H MET 36 H MET 36 17.085 19.959 -9.070 276 HA MET 36 HA MET 36 15.407 18.834 -11.143 277 HB2 MET 36 HB2 MET 36 15.336 18.953 -8.111 278 HB3 MET 36 HB3 MET 36 14.028 18.207 -9.021 279 HG2 MET 36 HG2 MET 36 16.923 17.432 -9.450 280 HG3 MET 36 HG3 MET 36 15.926 16.664 -8.232 281 HE1 MET 36 HE1 MET 36 14.235 14.896 -8.555 282 HE2 MET 36 HE2 MET 36 13.144 16.120 -9.228 283 HE3 MET 36 HE3 MET 36 13.345 14.568 -10.069 284 H GLU 37 H GLU 37 14.909 21.636 -8.933 285 HA GLU 37 HA GLU 37 12.238 22.188 -9.763 286 HB2 GLU 37 HB2 GLU 37 13.532 23.103 -7.750 287 HB3 GLU 37 HB3 GLU 37 14.359 24.178 -8.876 288 HG2 GLU 37 HG2 GLU 37 12.682 25.517 -8.009 289 HG3 GLU 37 HG3 GLU 37 11.968 25.006 -9.528 290 H SER 38 H SER 38 15.388 23.384 -11.045 291 HA SER 38 HA SER 38 14.276 25.101 -13.023 292 HB2 SER 38 HB2 SER 38 16.458 25.366 -13.786 293 HB3 SER 38 HB3 SER 38 16.660 24.987 -12.068 294 HG SER 38 HG SER 38 17.093 22.783 -12.731 295 H THR 39 H THR 39 14.706 21.668 -13.056 296 HA THR 39 HA THR 39 14.329 21.469 -16.027 297 HB THR 39 HB THR 39 15.011 19.085 -15.725 298 HG1 THR 39 HG1 THR 39 15.922 19.820 -13.180 299 HG21 THR 39 HG21 THR 39 17.001 21.117 -14.630 300 HG22 THR 39 HG22 THR 39 17.383 19.504 -15.259 301 HG23 THR 39 HG23 THR 39 16.714 20.745 -16.341 302 H GLY 40 H GLY 40 12.371 21.418 -13.286 303 HA2 GLY 40 HA2 GLY 40 10.162 20.825 -13.038 304 HA3 GLY 40 HA3 GLY 40 10.111 20.303 -14.727 305 H GLY 41 H GLY 41 12.425 19.004 -12.362 306 HA2 GLY 41 HA2 GLY 41 12.514 17.005 -11.237 307 HA3 GLY 41 HA3 GLY 41 10.867 16.617 -11.733 308 H ARG 42 H ARG 42 13.145 17.337 -14.334 309 HA ARG 42 HA ARG 42 13.001 14.500 -15.211 310 HB2 ARG 42 HB2 ARG 42 13.730 17.131 -16.475 311 HB3 ARG 42 HB3 ARG 42 14.599 15.732 -17.077 312 HG2 ARG 42 HG2 ARG 42 11.567 15.825 -16.933 313 HG3 ARG 42 HG3 ARG 42 12.515 16.315 -18.347 314 HD2 ARG 42 HD2 ARG 42 13.547 14.034 -18.444 315 HD3 ARG 42 HD3 ARG 42 12.510 13.533 -17.092 316 HE ARG 42 HE ARG 42 10.889 14.646 -19.182 317 HH11 ARG 42 HH21 ARG 42 12.677 11.686 -18.517 318 HH12 ARG 42 HH22 ARG 42 11.618 10.743 -19.535 319 HH21 ARG 42 HH11 ARG 42 9.607 13.330 -20.464 320 HH22 ARG 42 HH12 ARG 42 9.960 11.625 -20.574 321 H VAL 43 H VAL 43 14.161 13.356 -13.753 322 HA VAL 43 HA VAL 43 16.425 14.168 -12.373 323 HB VAL 43 HB VAL 43 15.802 11.302 -13.183 324 HG11 VAL 43 HG11 VAL 43 17.375 12.431 -10.822 325 HG12 VAL 43 HG12 VAL 43 16.926 10.725 -11.031 326 HG13 VAL 43 HG13 VAL 43 18.048 11.478 -12.164 327 HG21 VAL 43 HG21 VAL 43 14.596 11.162 -11.039 328 HG22 VAL 43 HG22 VAL 43 14.899 12.889 -10.738 329 HG23 VAL 43 HG23 VAL 43 13.841 12.375 -12.074 330 H ARG 44 H ARG 44 16.511 12.465 -15.572 331 HA ARG 44 HA ARG 44 19.357 12.284 -15.667 332 HB2 ARG 44 HB2 ARG 44 19.134 11.755 -17.971 333 HB3 ARG 44 HB3 ARG 44 17.860 10.960 -17.061 334 HG2 ARG 44 HG2 ARG 44 16.233 12.743 -17.850 335 HG3 ARG 44 HG3 ARG 44 17.531 13.405 -18.855 336 HD2 ARG 44 HD2 ARG 44 16.467 10.562 -19.039 337 HD3 ARG 44 HD3 ARG 44 15.970 11.898 -20.088 338 HE ARG 44 HE ARG 44 18.709 11.900 -20.384 339 HH11 ARG 44 HH21 ARG 44 16.298 9.400 -20.901 340 HH12 ARG 44 HH22 ARG 44 17.262 8.605 -22.115 341 HH21 ARG 44 HH12 ARG 44 19.886 10.822 -21.917 342 HH22 ARG 44 HH11 ARG 44 19.233 9.400 -22.679 343 H ILE 45 H ILE 45 17.248 14.958 -16.646 344 HA ILE 45 HA ILE 45 19.445 16.511 -17.835 345 HB ILE 45 HB ILE 45 16.664 17.476 -17.071 346 HG12 ILE 45 HG12 ILE 45 17.648 16.323 -19.722 347 HG13 ILE 45 HG13 ILE 45 16.478 15.570 -18.644 348 HG21 ILE 45 HG21 ILE 45 17.125 19.294 -18.659 349 HG22 ILE 45 HG22 ILE 45 18.433 19.257 -17.498 350 HG23 ILE 45 HG23 ILE 45 18.677 18.556 -19.106 351 HD11 ILE 45 HD11 ILE 45 16.049 18.086 -20.275 352 HD12 ILE 45 HD12 ILE 45 15.246 16.515 -20.423 353 HD13 ILE 45 HD13 ILE 45 14.937 17.526 -18.998 354 H ALA 46 H ALA 46 17.712 16.368 -14.707 355 HA ALA 46 HA ALA 46 18.958 18.625 -13.508 356 HB1 ALA 46 HB1 ALA 46 16.890 17.495 -12.686 357 HB2 ALA 46 HB2 ALA 46 17.861 16.097 -12.199 358 HB3 ALA 46 HB3 ALA 46 18.128 17.668 -11.419 359 H ILE 47 H ILE 47 19.905 15.096 -13.346 360 HA ILE 47 HA ILE 47 22.304 15.730 -11.870 361 HB ILE 47 HB ILE 47 23.017 13.484 -12.158 362 HG12 ILE 47 HG12 ILE 47 20.805 13.155 -14.209 363 HG13 ILE 47 HG13 ILE 47 22.538 13.060 -14.496 364 HG21 ILE 47 HG21 ILE 47 20.016 13.495 -11.670 365 HG22 ILE 47 HG22 ILE 47 21.227 12.401 -10.994 366 HG23 ILE 47 HG23 ILE 47 21.226 14.109 -10.529 367 HD11 ILE 47 HD11 ILE 47 22.634 11.048 -12.989 368 HD12 ILE 47 HD12 ILE 47 20.851 11.091 -12.917 369 HD13 ILE 47 HD13 ILE 47 21.668 10.834 -14.463 370 H ALA 48 H ALA 48 21.696 15.411 -15.416 371 HA ALA 48 HA ALA 48 24.370 15.786 -16.256 372 HB1 ALA 48 HB1 ALA 48 21.739 16.735 -17.472 373 HB2 ALA 48 HB2 ALA 48 23.304 16.687 -18.320 374 HB3 ALA 48 HB3 ALA 48 22.549 15.183 -17.757 375 H LYS 49 H LYS 49 21.930 18.345 -15.413 376 HA LYS 49 HA LYS 49 23.716 20.572 -15.857 377 HB2 LYS 49 HB2 LYS 49 21.270 20.702 -15.895 378 HB3 LYS 49 HB3 LYS 49 21.185 20.260 -14.186 379 HG2 LYS 49 HG2 LYS 49 22.380 22.318 -13.556 380 HG3 LYS 49 HG3 LYS 49 22.548 22.782 -15.255 381 HD2 LYS 49 HD2 LYS 49 19.872 22.333 -13.846 382 HD3 LYS 49 HD3 LYS 49 20.677 23.909 -13.961 383 HE2 LYS 49 HE2 LYS 49 20.661 23.626 -16.503 384 HE3 LYS 49 HE3 LYS 49 19.636 22.208 -16.275 385 HZ1 LYS 49 HZ1 LYS 49 18.042 23.730 -15.072 386 HZ2 LYS 49 HZ2 LYS 49 18.976 25.010 -15.479 387 HZ3 LYS 49 HZ3 LYS 49 18.245 24.148 -16.651 388 H LEU 50 H LEU 50 22.856 18.711 -12.929 389 HA LEU 50 HA LEU 50 24.365 20.237 -11.091 390 HB2 LEU 50 HB2 LEU 50 22.510 18.560 -10.737 391 HB3 LEU 50 HB3 LEU 50 23.677 17.270 -11.021 392 HG LEU 50 HG LEU 50 24.878 17.906 -8.973 393 HD11 LEU 50 HD11 LEU 50 24.491 20.319 -8.842 394 HD12 LEU 50 HD12 LEU 50 22.728 20.066 -8.773 395 HD13 LEU 50 HD13 LEU 50 23.758 19.568 -7.419 396 HD21 LEU 50 HD21 LEU 50 21.848 17.616 -8.715 397 HD22 LEU 50 HD22 LEU 50 23.028 16.303 -8.818 398 HD23 LEU 50 HD23 LEU 50 22.994 17.337 -7.390 399 H LEU 51 H LEU 51 25.406 17.572 -13.243 400 HA LEU 51 HA LEU 51 28.160 17.639 -12.231 401 HB2 LEU 51 HB2 LEU 51 26.856 16.398 -14.678 402 HB3 LEU 51 HB3 LEU 51 28.569 16.239 -14.307 403 HG LEU 51 HG LEU 51 26.371 15.307 -12.400 404 HD11 LEU 51 HD11 LEU 51 27.972 13.705 -14.433 405 HD12 LEU 51 HD12 LEU 51 26.854 13.039 -13.226 406 HD13 LEU 51 HD13 LEU 51 26.235 14.067 -14.525 407 HD21 LEU 51 HD21 LEU 51 28.530 15.652 -11.282 408 HD22 LEU 51 HD22 LEU 51 28.219 13.914 -11.466 409 HD23 LEU 51 HD23 LEU 51 29.358 14.721 -12.555 410 H SER 52 H SER 52 26.507 19.075 -15.141 411 HA SER 52 HA SER 52 28.964 19.990 -16.261 412 HB2 SER 52 HB2 SER 52 27.680 21.126 -17.895 413 HB3 SER 52 HB3 SER 52 26.893 19.576 -17.558 414 HG SER 52 HG SER 52 25.436 21.412 -17.657 415 H LYS 53 H LYS 53 26.820 21.560 -13.944 416 HA LYS 53 HA LYS 53 28.191 24.130 -13.968 417 HB2 LYS 53 HB2 LYS 53 26.451 22.712 -11.900 418 HB3 LYS 53 HB3 LYS 53 27.056 24.346 -11.679 419 HG2 LYS 53 HG2 LYS 53 25.302 23.507 -14.014 420 HG3 LYS 53 HG3 LYS 53 24.716 24.216 -12.505 421 HD2 LYS 53 HD2 LYS 53 26.097 26.254 -12.951 422 HD3 LYS 53 HD3 LYS 53 26.599 25.555 -14.507 423 HE2 LYS 53 HE2 LYS 53 24.226 25.446 -15.226 424 HE3 LYS 53 HE3 LYS 53 23.722 26.146 -13.675 425 HZ1 LYS 53 HZ1 LYS 53 23.880 27.852 -15.399 426 HZ2 LYS 53 HZ2 LYS 53 24.997 28.159 -14.253 427 HZ3 LYS 53 HZ3 LYS 53 25.450 27.511 -15.685 428 H GLN 54 H GLN 54 29.250 21.098 -12.854 429 HA GLN 54 HA GLN 54 31.200 22.316 -10.963 430 HB2 GLN 54 HB2 GLN 54 30.203 19.454 -11.252 431 HB3 GLN 54 HB3 GLN 54 31.557 19.930 -10.228 432 HG2 GLN 54 HG2 GLN 54 30.080 21.474 -8.957 433 HG3 GLN 54 HG3 GLN 54 28.699 20.945 -9.926 434 HE21 GLN 54 HE22 GLN 54 27.831 18.812 -9.572 435 HE22 GLN 54 HE21 GLN 54 28.429 17.777 -8.254 436 H THR 55 H THR 55 33.390 21.043 -10.981 437 HA THR 55 HA THR 55 34.715 21.381 -13.498 438 HB THR 55 HB THR 55 36.600 20.152 -12.365 439 HG1 THR 55 HG1 THR 55 36.298 19.648 -10.172 440 HG21 THR 55 HG21 THR 55 36.334 22.613 -12.147 441 HG22 THR 55 HG22 THR 55 35.332 22.379 -10.703 442 HG23 THR 55 HG23 THR 55 37.040 21.878 -10.702 443 H SER 56 H SER 56 32.920 18.655 -12.277 444 HA SER 56 HA SER 56 33.953 16.595 -13.953 445 HB2 SER 56 HB2 SER 56 31.121 16.952 -12.898 446 HB3 SER 56 HB3 SER 56 31.874 15.436 -13.437 447 HG SER 56 HG SER 56 31.971 15.614 -11.156 448 H GLY 57 H GLY 57 32.185 19.401 -14.910 449 HA2 GLY 57 HA2 GLY 57 30.594 18.398 -17.043 450 HA3 GLY 57 HA3 GLY 57 31.193 20.048 -16.872 451 H GLY 58 H GLY 58 30.820 18.731 -19.311 452 HA2 GLY 58 HA2 GLY 58 33.338 17.788 -20.447 453 HA3 GLY 58 HA3 GLY 58 31.839 18.115 -21.301 454 H SER 59 H SER 59 33.599 18.829 -22.835 455 HA SER 59 HA SER 59 35.105 21.203 -22.348 456 HB2 SER 59 HB2 SER 59 34.463 19.852 -24.993 457 HB3 SER 59 HB3 SER 59 35.787 20.986 -24.679 458 HG SER 59 HG SER 59 36.484 18.786 -24.583 459 H GLY 60 H GLY 60 31.797 21.055 -23.095 460 HA2 GLY 60 HA2 GLY 60 30.284 22.752 -23.474 461 HA3 GLY 60 HA3 GLY 60 31.607 23.916 -23.377 462 H GLY 61 H GLY 61 31.606 21.313 -25.769 463 HA2 GLY 61 HA2 GLY 61 31.960 23.153 -27.967 464 HA3 GLY 61 HA3 GLY 61 31.859 21.397 -28.055 465 H SER 62 H SER 62 29.047 22.008 -26.582 466 HA SER 62 HA SER 62 26.873 21.883 -27.224 467 HB2 SER 62 HB2 SER 62 27.692 24.256 -28.922 468 HB3 SER 62 HB3 SER 62 26.031 23.837 -28.456 469 HG SER 62 HG SER 62 26.984 25.399 -27.041 470 H LYS 63 H LYS 63 28.282 19.958 -28.566 471 HA LYS 63 HA LYS 63 28.220 19.849 -31.341 472 HB2 LYS 63 HB2 LYS 63 29.365 18.362 -29.645 473 HB3 LYS 63 HB3 LYS 63 27.875 17.442 -29.499 474 HG2 LYS 63 HG2 LYS 63 29.126 17.881 -32.237 475 HG3 LYS 63 HG3 LYS 63 29.888 16.765 -31.111 476 HD2 LYS 63 HD2 LYS 63 27.817 15.431 -30.950 477 HD3 LYS 63 HD3 LYS 63 27.023 16.508 -32.120 478 HE2 LYS 63 HE2 LYS 63 28.776 15.979 -33.799 479 HE3 LYS 63 HE3 LYS 63 29.575 14.913 -32.639 480 HZ1 LYS 63 HZ1 LYS 63 28.165 13.651 -34.155 481 HZ2 LYS 63 HZ2 LYS 63 27.564 13.509 -32.647 482 HZ3 LYS 63 HZ3 LYS 63 26.833 14.494 -33.741 483 H LEU 64 H LEU 64 25.530 19.161 -29.237 484 HA LEU 64 HA LEU 64 23.813 18.366 -31.559 485 HB2 LEU 64 HB2 LEU 64 23.560 17.774 -28.591 486 HB3 LEU 64 HB3 LEU 64 22.462 17.192 -29.841 487 HG LEU 64 HG LEU 64 25.441 16.508 -29.776 488 HD11 LEU 64 HD11 LEU 64 23.044 14.870 -28.839 489 HD12 LEU 64 HD12 LEU 64 24.733 14.315 -28.912 490 HD13 LEU 64 HD13 LEU 64 24.276 15.605 -27.790 491 HD21 LEU 64 HD21 LEU 64 24.427 16.265 -32.017 492 HD22 LEU 64 HD22 LEU 64 24.759 14.676 -31.310 493 HD23 LEU 64 HD23 LEU 64 23.099 15.308 -31.327 494 H GLY 65 H GLY 65 24.433 21.184 -30.163 495 HA2 GLY 65 HA2 GLY 65 21.718 22.128 -29.544 496 HA3 GLY 65 HA3 GLY 65 23.212 23.061 -29.538 497 H GLY 66 H GLY 66 23.403 21.688 -32.470 498 HA2 GLY 66 HA2 GLY 66 22.537 24.063 -33.921 499 HA3 GLY 66 HA3 GLY 66 23.310 22.630 -34.584 500 H SER 67 H SER 67 21.661 23.405 -36.276 501 HA SER 67 HA SER 67 18.898 23.035 -36.093 502 HB2 SER 67 HB2 SER 67 20.674 22.518 -38.510 503 HB3 SER 67 HB3 SER 67 18.926 22.811 -38.539 504 HG SER 67 HG SER 67 20.139 24.733 -38.960 505 H GLY 68 H GLY 68 17.488 21.370 -36.221 506 HA2 GLY 68 HA2 GLY 68 16.659 19.214 -36.399 507 HA3 GLY 68 HA3 GLY 68 18.213 18.649 -37.003 508 H GLY 69 H GLY 69 18.957 20.224 -34.138 509 HA2 GLY 69 HA2 GLY 69 19.434 17.857 -32.604 510 HA3 GLY 69 HA3 GLY 69 19.501 19.527 -32.026 511 H SER 70 H SER 70 16.713 20.167 -32.595 512 HA SER 70 HA SER 70 15.295 18.866 -30.381 513 HB2 SER 70 HB2 SER 70 14.331 20.872 -32.453 514 HB3 SER 70 HB3 SER 70 13.419 20.324 -31.031 515 HG SER 70 HG SER 70 14.550 22.314 -30.652 516 H ARG 71 H ARG 71 14.118 17.055 -30.536 517 HA ARG 71 HA ARG 71 13.688 15.845 -33.229 518 HB2 ARG 71 HB2 ARG 71 13.718 14.501 -30.508 519 HB3 ARG 71 HB3 ARG 71 13.720 13.711 -32.079 520 HG2 ARG 71 HG2 ARG 71 15.965 15.322 -30.816 521 HG3 ARG 71 HG3 ARG 71 15.942 13.604 -31.173 522 HD2 ARG 71 HD2 ARG 71 15.986 15.859 -33.222 523 HD3 ARG 71 HD3 ARG 71 17.352 14.839 -32.760 524 HE ARG 71 HE ARG 71 15.489 12.994 -33.577 525 HH11 ARG 71 HH11 ARG 71 16.918 15.772 -35.193 526 HH12 ARG 71 HH12 ARG 71 16.701 15.059 -36.773 527 HH21 ARG 71 HH21 ARG 71 15.234 12.169 -35.620 528 HH22 ARG 71 HH22 ARG 71 15.776 13.071 -37.003 529 H LYS 72 H LYS 72 11.758 17.611 -31.382 530 HA LYS 72 HA LYS 72 9.303 16.326 -32.422 531 HB2 LYS 72 HB2 LYS 72 8.107 16.527 -30.313 532 HB3 LYS 72 HB3 LYS 72 9.495 15.458 -30.136 533 HG2 LYS 72 HG2 LYS 72 10.777 17.285 -29.037 534 HG3 LYS 72 HG3 LYS 72 9.393 18.377 -29.235 535 HD2 LYS 72 HD2 LYS 72 8.006 16.895 -27.819 536 HD3 LYS 72 HD3 LYS 72 9.387 15.788 -27.622 537 HE2 LYS 72 HE2 LYS 72 10.710 17.625 -26.590 538 HE3 LYS 72 HE3 LYS 72 9.350 18.733 -26.794 539 HZ1 LYS 72 HZ1 LYS 72 8.052 17.314 -25.274 540 HZ2 LYS 72 HZ2 LYS 72 9.313 16.283 -25.090 541 HZ3 LYS 72 HZ3 LYS 72 9.418 17.814 -24.538 542 H ASP 73 H ASP 73 7.462 17.684 -32.483 543 HA ASP 73 HA ASP 73 7.747 20.570 -32.018 544 HB2 ASP 73 HB2 ASP 73 8.602 20.250 -34.329 545 HB3 ASP 73 HB3 ASP 73 7.102 19.429 -34.768 546 H LEU 74 H LEU 74 5.785 21.561 -31.631 547 HA LEU 74 HA LEU 74 3.754 21.698 -30.642 548 HB2 LEU 74 HB2 LEU 74 2.814 19.726 -32.750 549 HB3 LEU 74 HB3 LEU 74 1.811 20.830 -31.823 550 HG LEU 74 HG LEU 74 3.883 21.660 -33.895 551 HD11 LEU 74 HD11 LEU 74 1.856 20.606 -34.834 552 HD12 LEU 74 HD12 LEU 74 0.838 21.752 -33.934 553 HD13 LEU 74 HD13 LEU 74 1.933 22.333 -35.211 554 HD21 LEU 74 HD21 LEU 74 2.874 23.922 -33.648 555 HD22 LEU 74 HD22 LEU 74 1.914 23.340 -32.272 556 HD23 LEU 74 HD23 LEU 74 3.690 23.406 -32.173 557 H SER 75 H SER 75 1.676 20.001 -30.027 558 HA SER 75 HA SER 75 2.651 18.712 -27.692 559 HB2 SER 75 HB2 SER 75 -0.040 18.374 -29.066 560 HB3 SER 75 HB3 SER 75 0.344 17.931 -27.392 561 HG SER 75 HG SER 75 -0.654 20.013 -27.538 562 H VAL 76 H VAL 76 2.855 16.597 -27.078 563 HA VAL 76 HA VAL 76 2.618 14.405 -29.083 564 HB VAL 76 HB VAL 76 4.747 13.430 -28.314 565 HG11 VAL 76 HG11 VAL 76 5.138 16.203 -29.487 566 HG12 VAL 76 HG12 VAL 76 6.235 14.813 -29.614 567 HG13 VAL 76 HG13 VAL 76 4.646 14.756 -30.395 568 HG21 VAL 76 HG21 VAL 76 5.300 16.106 -26.968 569 HG22 VAL 76 HG22 VAL 76 4.984 14.569 -26.125 570 HG23 VAL 76 HG23 VAL 76 6.420 14.741 -27.139 571 H LYS 77 H LYS 77 2.735 12.235 -28.097 572 HA LYS 77 HA LYS 77 0.869 12.018 -25.889 573 HB2 LYS 77 HB2 LYS 77 2.540 9.916 -27.339 574 HB3 LYS 77 HB3 LYS 77 1.302 9.557 -26.129 575 HG2 LYS 77 HG2 LYS 77 -0.418 10.675 -27.532 576 HG3 LYS 77 HG3 LYS 77 0.804 10.989 -28.778 577 HD2 LYS 77 HD2 LYS 77 1.196 8.549 -29.017 578 HD3 LYS 77 HD3 LYS 77 -0.041 8.232 -27.780 579 HE2 LYS 77 HE2 LYS 77 -1.740 9.376 -29.195 580 HE3 LYS 77 HE3 LYS 77 -0.511 9.684 -30.427 581 HZ1 LYS 77 HZ1 LYS 77 -1.810 7.700 -30.957 582 HZ2 LYS 77 HZ2 LYS 77 -0.261 7.266 -30.692 583 HZ3 LYS 77 HZ3 LYS 77 -1.398 6.978 -29.551 584 H GLY 78 H GLY 78 1.131 11.076 -23.870 585 HA2 GLY 78 HA2 GLY 78 3.531 11.806 -22.411 586 HA3 GLY 78 HA3 GLY 78 2.102 11.006 -21.765 587 H MET 79 H MET 79 4.533 10.325 -20.835 588 HA MET 79 HA MET 79 4.861 7.494 -21.685 589 HB2 MET 79 HB2 MET 79 7.137 9.464 -21.189 590 HB3 MET 79 HB3 MET 79 7.327 7.711 -21.343 591 HG2 MET 79 HG2 MET 79 6.335 7.823 -23.631 592 HG3 MET 79 HG3 MET 79 6.266 9.582 -23.491 593 HE1 MET 79 HE1 MET 79 9.059 9.049 -26.156 594 HE2 MET 79 HE2 MET 79 7.591 8.073 -25.930 595 HE3 MET 79 HE3 MET 79 7.518 9.843 -25.771 596 H LEU 80 H LEU 80 5.743 6.116 -20.026 597 HA LEU 80 HA LEU 80 5.256 7.079 -17.242 598 HB2 LEU 80 HB2 LEU 80 3.393 5.724 -18.158 599 HB3 LEU 80 HB3 LEU 80 4.520 4.419 -18.517 600 HG LEU 80 HG LEU 80 4.986 4.164 -16.070 601 HD11 LEU 80 HD11 LEU 80 2.730 6.195 -15.753 602 HD12 LEU 80 HD12 LEU 80 3.428 5.213 -14.446 603 HD13 LEU 80 HD13 LEU 80 4.416 6.430 -15.253 604 HD21 LEU 80 HD21 LEU 80 2.042 4.015 -16.843 605 HD22 LEU 80 HD22 LEU 80 3.282 2.790 -17.197 606 HD23 LEU 80 HD23 LEU 80 2.827 3.125 -15.519 607 H TYR 81 H TYR 81 6.664 6.483 -15.682 608 HA TYR 81 HA TYR 81 8.924 4.643 -16.306 609 HB2 TYR 81 HB2 TYR 81 9.268 7.329 -14.938 610 HB3 TYR 81 HB3 TYR 81 10.523 6.226 -15.465 611 HD1 TYR 81 HD2 TYR 81 10.797 5.838 -18.031 612 HD2 TYR 81 HD1 TYR 81 8.517 9.086 -16.334 613 HE1 TYR 81 HE2 TYR 81 11.025 7.116 -20.158 614 HE2 TYR 81 HE1 TYR 81 8.745 10.357 -18.459 615 HH TYR 81 HH TYR 81 10.505 9.052 -21.299 616 H ASP 82 H ASP 82 9.913 3.672 -14.458 617 HA ASP 82 HA ASP 82 8.321 3.474 -12.011 618 HB2 ASP 82 HB2 ASP 82 9.641 1.600 -12.899 619 HB3 ASP 82 HB3 ASP 82 11.131 2.526 -12.680 620 H SER 83 H SER 83 11.322 5.137 -12.971 621 HA SER 83 HA SER 83 11.591 6.592 -10.437 622 HB2 SER 83 HB2 SER 83 13.604 7.556 -11.610 623 HB3 SER 83 HB3 SER 83 13.618 5.807 -11.355 624 HG SER 83 HG SER 83 14.269 6.371 -13.493 625 H ASP 84 H ASP 84 9.174 7.166 -11.315 626 HA ASP 84 HA ASP 84 8.689 9.047 -13.284 627 HB2 ASP 84 HB2 ASP 84 6.939 7.810 -12.152 628 HB3 ASP 84 HB3 ASP 84 7.272 8.638 -10.633 629 H SER 85 H SER 85 8.882 11.167 -13.619 630 HA SER 85 HA SER 85 10.775 12.691 -12.236 631 HB2 SER 85 HB2 SER 85 9.833 14.598 -13.613 632 HB3 SER 85 HB3 SER 85 10.299 13.147 -14.523 633 HG SER 85 HG SER 85 8.218 13.945 -15.167 634 H GLN 86 H GLN 86 7.191 13.003 -12.050 635 HA GLN 86 HA GLN 86 7.332 15.194 -10.156 636 HB2 GLN 86 HB2 GLN 86 5.007 13.390 -10.970 637 HB3 GLN 86 HB3 GLN 86 4.878 14.829 -9.955 638 HG2 GLN 86 HG2 GLN 86 5.765 16.228 -11.816 639 HG3 GLN 86 HG3 GLN 86 5.851 14.800 -12.849 640 HE21 GLN 86 HE22 GLN 86 3.542 16.922 -11.062 641 HE22 GLN 86 HE21 GLN 86 2.171 16.481 -12.067 642 H GLN 87 H GLN 87 6.831 11.640 -9.756 643 HA GLN 87 HA GLN 87 6.334 11.765 -6.949 644 HB2 GLN 87 HB2 GLN 87 5.888 9.837 -8.483 645 HB3 GLN 87 HB3 GLN 87 7.632 9.513 -8.540 646 HG2 GLN 87 HG2 GLN 87 7.645 9.094 -6.103 647 HG3 GLN 87 HG3 GLN 87 5.932 9.503 -6.006 648 HE21 GLN 87 HE22 GLN 87 6.159 7.176 -4.948 649 HE22 GLN 87 HE21 GLN 87 5.873 5.853 -6.068 650 H ILE 88 H ILE 88 9.458 11.301 -8.713 651 HA ILE 88 HA ILE 88 11.044 11.223 -6.279 652 HB ILE 88 HB ILE 88 11.661 11.534 -9.229 653 HG12 ILE 88 HG12 ILE 88 12.764 9.454 -9.029 654 HG13 ILE 88 HG13 ILE 88 12.781 9.513 -7.271 655 HG21 ILE 88 HG21 ILE 88 13.348 12.938 -8.167 656 HG22 ILE 88 HG22 ILE 88 13.675 11.706 -6.930 657 HG23 ILE 88 HG23 ILE 88 14.100 11.415 -8.630 658 HD11 ILE 88 HD11 ILE 88 11.287 7.769 -8.096 659 HD12 ILE 88 HD12 ILE 88 10.379 8.983 -7.193 660 HD13 ILE 88 HD13 ILE 88 10.321 8.960 -8.973 661 H LEU 89 H LEU 89 10.224 13.905 -8.554 662 HA LEU 89 HA LEU 89 11.623 15.945 -7.152 663 HB2 LEU 89 HB2 LEU 89 10.610 16.253 -9.375 664 HB3 LEU 89 HB3 LEU 89 9.000 16.041 -8.696 665 HG LEU 89 HG LEU 89 9.290 18.157 -7.387 666 HD11 LEU 89 HD11 LEU 89 11.092 19.709 -8.000 667 HD12 LEU 89 HD12 LEU 89 11.791 18.240 -7.316 668 HD13 LEU 89 HD13 LEU 89 11.797 18.499 -9.087 669 HD21 LEU 89 HD21 LEU 89 9.047 19.656 -9.338 670 HD22 LEU 89 HD22 LEU 89 9.688 18.388 -10.399 671 HD23 LEU 89 HD23 LEU 89 8.138 18.150 -9.562 672 H ASN 90 H ASN 90 8.241 14.778 -6.572 673 HA ASN 90 HA ASN 90 7.710 16.504 -4.384 674 HB2 ASN 90 HB2 ASN 90 5.976 15.223 -5.584 675 HB3 ASN 90 HB3 ASN 90 6.664 13.702 -5.024 676 HD21 ASN 90 HD22 ASN 90 5.001 16.680 -3.918 677 HD22 ASN 90 HD21 ASN 90 4.422 15.955 -2.427 678 H ARG 91 H ARG 91 9.124 13.152 -4.333 679 HA ARG 91 HA ARG 91 9.435 13.110 -1.479 680 HB2 ARG 91 HB2 ARG 91 9.537 11.173 -3.265 681 HB3 ARG 91 HB3 ARG 91 11.231 11.606 -3.410 682 HG2 ARG 91 HG2 ARG 91 11.566 10.160 -1.690 683 HG3 ARG 91 HG3 ARG 91 10.940 11.415 -0.634 684 HD2 ARG 91 HD2 ARG 91 9.350 9.161 -1.922 685 HD3 ARG 91 HD3 ARG 91 9.853 9.246 -0.228 686 HE ARG 91 HE ARG 91 8.402 11.496 -0.300 687 HH11 ARG 91 HH11 ARG 91 7.400 8.368 -1.628 688 HH12 ARG 91 HH12 ARG 91 5.724 8.769 -1.386 689 HH21 ARG 91 HH21 ARG 91 6.432 11.896 -0.078 690 HH22 ARG 91 HH22 ARG 91 5.147 10.766 -0.526 691 H LEU 92 H LEU 92 11.624 14.323 -4.031 692 HA LEU 92 HA LEU 92 13.775 14.941 -2.211 693 HB2 LEU 92 HB2 LEU 92 13.955 14.671 -4.715 694 HB3 LEU 92 HB3 LEU 92 13.080 16.190 -4.899 695 HG LEU 92 HG LEU 92 14.955 17.359 -3.646 696 HD11 LEU 92 HD11 LEU 92 15.922 15.418 -2.429 697 HD12 LEU 92 HD12 LEU 92 16.359 14.675 -3.990 698 HD13 LEU 92 HD13 LEU 92 17.120 16.193 -3.460 699 HD21 LEU 92 HD21 LEU 92 15.750 15.774 -6.123 700 HD22 LEU 92 HD22 LEU 92 14.867 17.324 -6.107 701 HD23 LEU 92 HD23 LEU 92 16.545 17.245 -5.534 702 H ARG 93 H ARG 93 10.931 16.871 -3.343 703 HA ARG 93 HA ARG 93 11.723 19.280 -1.977 704 HB2 ARG 93 HB2 ARG 93 9.985 19.036 -3.815 705 HB3 ARG 93 HB3 ARG 93 8.881 18.358 -2.609 706 HG2 ARG 93 HG2 ARG 93 9.132 20.476 -1.263 707 HG3 ARG 93 HG3 ARG 93 10.164 21.128 -2.538 708 HD2 ARG 93 HD2 ARG 93 7.233 20.331 -2.767 709 HD3 ARG 93 HD3 ARG 93 7.848 21.977 -2.716 710 HE ARG 93 HE ARG 93 7.662 20.233 -5.011 711 HH11 ARG 93 HH11 ARG 93 9.582 22.952 -3.843 712 HH12 ARG 93 HH12 ARG 93 10.042 23.402 -5.477 713 HH21 ARG 93 HH21 ARG 93 8.252 20.983 -7.038 714 HH22 ARG 93 HH22 ARG 93 9.382 22.317 -7.170 715 H GLU 94 H GLU 94 9.769 16.480 -0.855 716 HA GLU 94 HA GLU 94 9.334 17.454 1.805 717 HB2 GLU 94 HB2 GLU 94 9.719 14.627 0.760 718 HB3 GLU 94 HB3 GLU 94 9.175 15.018 2.394 719 HG2 GLU 94 HG2 GLU 94 7.180 16.125 1.531 720 HG3 GLU 94 HG3 GLU 94 7.694 15.862 -0.131 721 H ARG 95 H ARG 95 12.004 15.324 0.569 722 HA ARG 95 HA ARG 95 13.393 15.107 3.009 723 HB2 ARG 95 HB2 ARG 95 13.666 13.803 0.808 724 HB3 ARG 95 HB3 ARG 95 14.700 15.128 0.254 725 HG2 ARG 95 HG2 ARG 95 16.182 14.681 2.300 726 HG3 ARG 95 HG3 ARG 95 15.136 13.292 2.651 727 HD2 ARG 95 HD2 ARG 95 15.654 12.660 0.130 728 HD3 ARG 95 HD3 ARG 95 17.055 13.713 0.343 729 HE ARG 95 HE ARG 95 16.395 11.230 1.903 730 HH11 ARG 95 HH21 ARG 95 19.049 13.478 1.118 731 HH12 ARG 95 HH22 ARG 95 20.201 12.137 1.303 732 HH21 ARG 95 HH11 ARG 95 18.001 9.775 2.190 733 HH22 ARG 95 HH12 ARG 95 19.683 10.312 1.947 734 H VAL 96 H VAL 96 13.804 17.598 0.482 735 HA VAL 96 HA VAL 96 16.039 18.816 1.977 736 HB VAL 96 HB VAL 96 14.881 19.572 -0.730 737 HG11 VAL 96 HG11 VAL 96 16.214 21.402 0.227 738 HG12 VAL 96 HG12 VAL 96 17.526 20.274 0.633 739 HG13 VAL 96 HG13 VAL 96 17.125 20.621 -1.060 740 HG21 VAL 96 HG21 VAL 96 17.095 17.662 0.112 741 HG22 VAL 96 HG22 VAL 96 15.722 17.317 -0.921 742 HG23 VAL 96 HG23 VAL 96 17.004 18.353 -1.528 743 H SER 97 H SER 97 12.653 19.653 1.214 744 HA SER 97 HA SER 97 12.998 22.246 2.667 745 HB2 SER 97 HB2 SER 97 11.181 21.634 0.317 746 HB3 SER 97 HB3 SER 97 11.399 23.200 1.102 747 HG SER 97 HG SER 97 13.494 23.307 0.335 748 H GLY 98 H GLY 98 11.362 19.267 3.009 749 HA2 GLY 98 HA2 GLY 98 8.880 20.292 4.149 750 HA3 GLY 98 HA3 GLY 98 9.491 18.646 4.215 751 H SER 99 H SER 99 8.276 19.567 6.394 752 HA SER 99 HA SER 99 10.393 19.540 8.441 753 HB2 SER 99 HB2 SER 99 9.962 21.956 8.007 754 HB3 SER 99 HB3 SER 99 8.258 21.699 8.437 755 HG SER 99 HG SER 99 9.659 22.471 10.189 756 H THR 100 H THR 100 9.635 18.977 10.518 757 HA THR 100 HA THR 100 7.041 17.480 10.582 758 HB THR 100 HB THR 100 8.150 15.952 12.156 759 HG1 THR 100 HG1 THR 100 10.390 16.153 12.462 760 HG21 THR 100 HG21 THR 100 9.599 14.828 10.566 761 HG22 THR 100 HG22 THR 100 8.227 15.528 9.686 762 HG23 THR 100 HG23 THR 100 9.812 16.325 9.622 763 H ALA 101 H ALA 101 8.354 20.262 11.805 764 HA ALA 101 HA ALA 101 7.294 20.063 14.546 765 HB1 ALA 101 HB1 ALA 101 9.460 21.160 14.103 766 HB2 ALA 101 HB2 ALA 101 8.651 22.349 13.057 767 HB3 ALA 101 HB3 ALA 101 8.294 22.298 14.796 768 H GLN 102 H GLN 102 5.947 21.824 15.411 769 HA GLN 102 HA GLN 102 3.787 22.756 13.558 770 HB2 GLN 102 HB2 GLN 102 3.503 21.635 16.388 771 HB3 GLN 102 HB3 GLN 102 2.232 22.450 15.491 772 HG2 GLN 102 HG2 GLN 102 1.810 20.128 15.267 773 HG3 GLN 102 HG3 GLN 102 2.362 20.712 13.704 774 HE21 GLN 102 HE22 GLN 102 3.404 18.905 12.808 775 HE22 GLN 102 HE21 GLN 102 4.752 18.104 13.605 776 H SER 103 H SER 103 2.711 24.691 14.130 777 HA SER 103 HA SER 103 3.896 26.447 16.197 778 HB2 SER 103 HB2 SER 103 4.214 28.277 14.569 779 HB3 SER 103 HB3 SER 103 5.268 26.892 14.247 780 HG SER 103 HG SER 103 4.292 27.690 12.321 781 H ALA 104 H ALA 104 2.674 28.427 16.536 782 HA ALA 104 HA ALA 104 -0.208 27.962 16.517 783 HB1 ALA 104 HB1 ALA 104 -0.270 29.976 17.920 784 HB2 ALA 104 HB2 ALA 104 0.934 28.819 18.517 785 HB3 ALA 104 HB3 ALA 104 1.452 30.266 17.614 Start of MODEL 8 1 H1 SER 1 H1 SER 1 -10.406 -15.307 6.358 2 H2 SER 1 H2 SER 1 -11.135 -13.870 6.072 3 H3 SER 1 H3 SER 1 -9.510 -14.025 5.887 4 HA SER 1 HA SER 1 -10.952 -14.296 8.444 5 HB2 SER 1 HB2 SER 1 -8.674 -14.226 9.477 6 HB3 SER 1 HB3 SER 1 -9.010 -15.680 8.524 7 HG SER 1 HG SER 1 -6.952 -14.850 8.007 8 H VAL 2 H VAL 2 -8.191 -12.254 7.353 9 HA VAL 2 HA VAL 2 -9.768 -9.784 7.980 10 HB VAL 2 HB VAL 2 -7.765 -8.799 9.020 11 HG11 VAL 2 HG11 VAL 2 -8.663 -11.329 10.451 12 HG12 VAL 2 HG12 VAL 2 -7.960 -9.876 11.185 13 HG13 VAL 2 HG13 VAL 2 -9.552 -9.789 10.416 14 HG21 VAL 2 HG21 VAL 2 -5.921 -10.188 9.833 15 HG22 VAL 2 HG22 VAL 2 -6.592 -11.613 9.028 16 HG23 VAL 2 HG23 VAL 2 -5.988 -10.244 8.067 17 H SER 3 H SER 3 -9.003 -7.832 6.999 18 HA SER 3 HA SER 3 -8.208 -8.151 4.247 19 HB2 SER 3 HB2 SER 3 -8.357 -5.620 5.937 20 HB3 SER 3 HB3 SER 3 -8.344 -5.701 4.165 21 HG SER 3 HG SER 3 -10.364 -6.731 4.221 22 H ILE 4 H ILE 4 -6.364 -7.955 3.246 23 HA ILE 4 HA ILE 4 -3.880 -7.198 4.733 24 HB ILE 4 HB ILE 4 -2.799 -9.051 3.300 25 HG12 ILE 4 HG12 ILE 4 -4.084 -10.958 2.703 26 HG13 ILE 4 HG13 ILE 4 -5.578 -10.285 3.343 27 HG21 ILE 4 HG21 ILE 4 -4.680 -9.765 5.579 28 HG22 ILE 4 HG22 ILE 4 -3.274 -10.706 5.039 29 HG23 ILE 4 HG23 ILE 4 -3.040 -9.100 5.742 30 HD11 ILE 4 HD11 ILE 4 -5.447 -10.302 0.847 31 HD12 ILE 4 HD12 ILE 4 -5.723 -8.692 1.520 32 HD13 ILE 4 HD13 ILE 4 -4.097 -9.151 0.928 33 H LEU 5 H LEU 5 -5.677 -5.939 2.379 34 HA LEU 5 HA LEU 5 -3.481 -5.263 0.495 35 HB2 LEU 5 HB2 LEU 5 -6.415 -4.476 0.485 36 HB3 LEU 5 HB3 LEU 5 -5.235 -4.111 -0.771 37 HG LEU 5 HG LEU 5 -6.210 -6.892 -0.003 38 HD11 LEU 5 HD11 LEU 5 -7.864 -5.517 -1.208 39 HD12 LEU 5 HD12 LEU 5 -6.679 -5.208 -2.494 40 HD13 LEU 5 HD13 LEU 5 -7.279 -6.856 -2.205 41 HD21 LEU 5 HD21 LEU 5 -4.999 -7.643 -2.050 42 HD22 LEU 5 HD22 LEU 5 -4.274 -6.026 -2.197 43 HD23 LEU 5 HD23 LEU 5 -3.897 -7.062 -0.800 44 H ARG 6 H ARG 6 -2.520 -4.469 2.655 45 HA ARG 6 HA ARG 6 -3.506 -1.848 3.607 46 HB2 ARG 6 HB2 ARG 6 -1.288 -3.646 4.668 47 HB3 ARG 6 HB3 ARG 6 -1.920 -2.201 5.466 48 HG2 ARG 6 HG2 ARG 6 -4.161 -3.262 5.642 49 HG3 ARG 6 HG3 ARG 6 -3.528 -4.718 4.863 50 HD2 ARG 6 HD2 ARG 6 -1.821 -4.881 6.728 51 HD3 ARG 6 HD3 ARG 6 -2.705 -3.575 7.550 52 HE ARG 6 HE ARG 6 -4.520 -5.685 6.774 53 HH11 ARG 6 HH11 ARG 6 -2.101 -5.072 9.241 54 HH12 ARG 6 HH12 ARG 6 -2.795 -6.253 10.320 55 HH21 ARG 6 HH21 ARG 6 -5.283 -7.163 8.089 56 HH22 ARG 6 HH22 ARG 6 -4.608 -7.415 9.691 57 H SER 7 H SER 7 -2.146 -0.107 4.058 58 HA SER 7 HA SER 7 -0.872 1.639 3.386 59 HB2 SER 7 HB2 SER 7 1.436 1.359 3.848 60 HB3 SER 7 HB3 SER 7 0.487 0.366 4.955 61 HG SER 7 HG SER 7 2.276 -0.801 4.157 62 H SER 8 H SER 8 1.769 1.269 1.858 63 HA SER 8 HA SER 8 0.890 1.056 -0.926 64 HB2 SER 8 HB2 SER 8 0.135 3.351 -0.096 65 HB3 SER 8 HB3 SER 8 1.852 3.759 0.090 66 HG SER 8 HG SER 8 0.915 4.363 -1.982 67 H VAL 9 H VAL 9 2.854 2.132 -2.286 68 HA VAL 9 HA VAL 9 5.136 0.432 -1.937 69 HB VAL 9 HB VAL 9 4.877 2.975 -3.593 70 HG11 VAL 9 HG11 VAL 9 7.250 2.358 -3.337 71 HG12 VAL 9 HG12 VAL 9 6.877 0.676 -3.795 72 HG13 VAL 9 HG13 VAL 9 6.697 1.995 -4.970 73 HG21 VAL 9 HG21 VAL 9 3.190 1.298 -4.250 74 HG22 VAL 9 HG22 VAL 9 4.449 1.424 -5.482 75 HG23 VAL 9 HG23 VAL 9 4.452 0.051 -4.356 76 H ASN 10 H ASN 10 7.045 0.682 -0.889 77 HA ASN 10 HA ASN 10 7.191 2.629 1.216 78 HB2 ASN 10 HB2 ASN 10 7.913 0.265 1.372 79 HB3 ASN 10 HB3 ASN 10 9.229 0.581 0.243 80 HD21 ASN 10 HD22 ASN 10 9.985 -0.514 2.549 81 HD22 ASN 10 HD21 ASN 10 10.697 0.691 3.616 82 H HIS 11 H HIS 11 8.062 4.601 1.258 83 HA HIS 11 HA HIS 11 9.334 5.837 -1.006 84 HB2 HIS 11 HB2 HIS 11 9.128 6.768 1.888 85 HB3 HIS 11 HB3 HIS 11 9.545 7.779 0.507 86 HD2 HIS 11 HD2 HIS 11 7.558 8.347 -1.282 87 HE1 HIS 11 HE1 HIS 11 4.323 7.070 1.187 88 HE2 HIS 11 HE2 HIS 11 4.946 8.344 -0.926 89 H ARG 12 H ARG 12 10.751 3.932 1.553 90 HA ARG 12 HA ARG 12 13.276 5.177 1.829 91 HB2 ARG 12 HB2 ARG 12 12.303 3.320 3.206 92 HB3 ARG 12 HB3 ARG 12 12.655 2.192 1.889 93 HG2 ARG 12 HG2 ARG 12 15.074 2.683 2.101 94 HG3 ARG 12 HG3 ARG 12 14.743 3.861 3.378 95 HD2 ARG 12 HD2 ARG 12 14.087 0.889 3.517 96 HD3 ARG 12 HD3 ARG 12 15.540 1.643 4.198 97 HE ARG 12 HE ARG 12 13.369 3.057 5.285 98 HH11 ARG 12 HH21 ARG 12 14.580 -0.230 5.492 99 HH12 ARG 12 HH22 ARG 12 13.938 -0.464 7.094 100 HH21 ARG 12 HH11 ARG 12 12.543 2.677 7.319 101 HH22 ARG 12 HH12 ARG 12 12.802 1.139 8.084 102 H GLU 13 H GLU 13 12.197 2.989 -0.781 103 HA GLU 13 HA GLU 13 14.813 2.724 -1.993 104 HB2 GLU 13 HB2 GLU 13 12.866 1.213 -2.349 105 HB3 GLU 13 HB3 GLU 13 12.053 2.496 -3.265 106 HG2 GLU 13 HG2 GLU 13 13.852 2.472 -4.942 107 HG3 GLU 13 HG3 GLU 13 14.762 1.294 -3.990 108 H VAL 14 H VAL 14 12.186 5.120 -2.378 109 HA VAL 14 HA VAL 14 13.443 6.573 -4.562 110 HB VAL 14 HB VAL 14 11.404 7.621 -2.554 111 HG11 VAL 14 HG11 VAL 14 10.748 9.139 -4.337 112 HG12 VAL 14 HG12 VAL 14 12.480 9.340 -4.032 113 HG13 VAL 14 HG13 VAL 14 11.932 8.413 -5.448 114 HG21 VAL 14 HG21 VAL 14 10.469 5.570 -3.557 115 HG22 VAL 14 HG22 VAL 14 9.674 6.993 -4.227 116 HG23 VAL 14 HG23 VAL 14 10.912 6.145 -5.181 117 H ASP 15 H ASP 15 13.427 6.942 -0.987 118 HA ASP 15 HA ASP 15 15.098 9.266 -0.882 119 HB2 ASP 15 HB2 ASP 15 13.645 8.339 0.946 120 HB3 ASP 15 HB3 ASP 15 14.796 7.017 1.153 121 H GLU 16 H GLU 16 15.940 5.755 -0.784 122 HA GLU 16 HA GLU 16 18.768 6.071 -0.629 123 HB2 GLU 16 HB2 GLU 16 17.671 3.952 -0.187 124 HB3 GLU 16 HB3 GLU 16 17.038 3.875 -1.836 125 HG2 GLU 16 HG2 GLU 16 19.288 3.667 -2.757 126 HG3 GLU 16 HG3 GLU 16 20.005 3.900 -1.163 127 H ALA 17 H ALA 17 16.594 5.953 -3.520 128 HA ALA 17 HA ALA 17 18.720 6.110 -5.409 129 HB1 ALA 17 HB1 ALA 17 15.805 6.966 -5.618 130 HB2 ALA 17 HB2 ALA 17 16.915 6.766 -6.991 131 HB3 ALA 17 HB3 ALA 17 16.470 5.364 -6.000 132 H ILE 18 H ILE 18 16.795 8.693 -3.795 133 HA ILE 18 HA ILE 18 18.075 10.947 -5.012 134 HB ILE 18 HB ILE 18 16.615 10.446 -2.416 135 HG12 ILE 18 HG12 ILE 18 16.043 12.450 -4.632 136 HG13 ILE 18 HG13 ILE 18 15.579 10.754 -4.776 137 HG21 ILE 18 HG21 ILE 18 16.721 12.921 -1.915 138 HG22 ILE 18 HG22 ILE 18 18.235 12.080 -1.661 139 HG23 ILE 18 HG23 ILE 18 18.013 13.065 -3.120 140 HD11 ILE 18 HD11 ILE 18 13.693 12.021 -3.979 141 HD12 ILE 18 HD12 ILE 18 14.238 10.890 -2.730 142 HD13 ILE 18 HD13 ILE 18 14.615 12.626 -2.590 143 H ASP 19 H ASP 19 18.978 9.172 -1.975 144 HA ASP 19 HA ASP 19 21.274 10.796 -1.554 145 HB2 ASP 19 HB2 ASP 19 19.997 9.154 0.041 146 HB3 ASP 19 HB3 ASP 19 21.119 7.941 -0.574 147 H ASN 20 H ASN 20 20.931 7.683 -3.353 148 HA ASN 20 HA ASN 20 23.672 7.357 -4.006 149 HB2 ASN 20 HB2 ASN 20 21.924 5.632 -4.339 150 HB3 ASN 20 HB3 ASN 20 21.164 6.627 -5.591 151 HD21 ASN 20 HD22 ASN 20 24.139 4.786 -4.789 152 HD22 ASN 20 HD21 ASN 20 24.617 4.585 -6.464 153 H ILE 21 H ILE 21 21.147 9.314 -5.714 154 HA ILE 21 HA ILE 21 22.939 10.274 -7.774 155 HB ILE 21 HB ILE 21 20.277 11.269 -6.668 156 HG12 ILE 21 HG12 ILE 21 20.989 10.243 -9.442 157 HG13 ILE 21 HG13 ILE 21 20.487 9.162 -8.142 158 HG21 ILE 21 HG21 ILE 21 21.417 13.303 -7.350 159 HG22 ILE 21 HG22 ILE 21 21.973 12.541 -8.859 160 HG23 ILE 21 HG23 ILE 21 20.253 12.893 -8.585 161 HD11 ILE 21 HD11 ILE 21 18.801 11.402 -9.325 162 HD12 ILE 21 HD12 ILE 21 18.570 9.659 -9.516 163 HD13 ILE 21 HD13 ILE 21 18.340 10.406 -7.927 164 H LEU 22 H LEU 22 22.011 11.619 -4.576 165 HA LEU 22 HA LEU 22 23.452 14.022 -4.689 166 HB2 LEU 22 HB2 LEU 22 21.757 13.333 -2.993 167 HB3 LEU 22 HB3 LEU 22 22.879 12.142 -2.366 168 HG LEU 22 HG LEU 22 24.449 14.016 -1.741 169 HD11 LEU 22 HD11 LEU 22 23.373 16.257 -1.481 170 HD12 LEU 22 HD12 LEU 22 23.504 15.803 -3.185 171 HD13 LEU 22 HD13 LEU 22 21.942 15.667 -2.359 172 HD21 LEU 22 HD21 LEU 22 23.112 14.582 0.271 173 HD22 LEU 22 HD22 LEU 22 21.665 13.906 -0.509 174 HD23 LEU 22 HD23 LEU 22 23.040 12.856 -0.119 175 H ARG 23 H ARG 23 24.648 10.823 -3.459 176 HA ARG 23 HA ARG 23 27.345 11.857 -3.055 177 HB2 ARG 23 HB2 ARG 23 26.600 8.928 -3.281 178 HB3 ARG 23 HB3 ARG 23 28.010 9.640 -2.510 179 HG2 ARG 23 HG2 ARG 23 25.167 9.552 -1.525 180 HG3 ARG 23 HG3 ARG 23 26.588 8.878 -0.781 181 HD2 ARG 23 HD2 ARG 23 27.324 10.999 0.004 182 HD3 ARG 23 HD3 ARG 23 26.204 11.882 -1.055 183 HE ARG 23 HE ARG 23 24.543 10.260 0.470 184 HH11 ARG 23 HH21 ARG 23 26.914 12.674 1.460 185 HH12 ARG 23 HH22 ARG 23 25.935 13.182 2.806 186 HH21 ARG 23 HH12 ARG 23 23.298 11.077 2.014 187 HH22 ARG 23 HH11 ARG 23 23.945 12.217 3.180 188 H TYR 24 H TYR 24 25.826 10.033 -5.766 189 HA TYR 24 HA TYR 24 28.248 9.571 -7.220 190 HB2 TYR 24 HB2 TYR 24 26.179 8.394 -7.701 191 HB3 TYR 24 HB3 TYR 24 25.356 9.898 -8.108 192 HD1 TYR 24 HD2 TYR 24 28.259 7.742 -9.152 193 HD2 TYR 24 HD1 TYR 24 25.257 10.601 -10.361 194 HE1 TYR 24 HE2 TYR 24 28.927 7.447 -11.535 195 HE2 TYR 24 HE1 TYR 24 25.920 10.293 -12.735 196 HH TYR 24 HH TYR 24 27.336 9.229 -14.209 197 H THR 25 H THR 25 25.958 12.343 -7.326 198 HA THR 25 HA THR 25 27.636 13.776 -9.278 199 HB THR 25 HB THR 25 26.014 15.575 -9.102 200 HG1 THR 25 HG1 THR 25 24.560 13.930 -7.310 201 HG21 THR 25 HG21 THR 25 25.527 13.562 -10.572 202 HG22 THR 25 HG22 THR 25 24.499 12.934 -9.274 203 HG23 THR 25 HG23 THR 25 24.107 14.477 -10.056 204 H ASN 26 H ASN 26 27.915 13.331 -5.973 205 HA ASN 26 HA ASN 26 28.942 14.356 -4.270 206 HB2 ASN 26 HB2 ASN 26 30.817 13.831 -5.854 207 HB3 ASN 26 HB3 ASN 26 30.773 15.506 -6.403 208 HD21 ASN 26 HD22 ASN 26 33.099 15.371 -5.634 209 HD22 ASN 26 HD21 ASN 26 33.384 15.683 -3.928 210 H SER 27 H SER 27 26.677 15.574 -4.739 211 HA SER 27 HA SER 27 27.122 18.531 -4.828 212 HB2 SER 27 HB2 SER 27 24.817 18.621 -5.658 213 HB3 SER 27 HB3 SER 27 25.855 17.628 -6.695 214 HG SER 27 HG SER 27 24.667 15.950 -6.263 215 H THR 28 H THR 28 25.329 19.830 -3.768 216 HA THR 28 HA THR 28 24.705 18.800 -1.044 217 HB THR 28 HB THR 28 24.064 21.017 -0.442 218 HG1 THR 28 HG1 THR 28 24.345 22.685 -2.127 219 HG21 THR 28 HG21 THR 28 26.579 21.315 -2.136 220 HG22 THR 28 HG22 THR 28 26.107 22.265 -0.711 221 HG23 THR 28 HG23 THR 28 26.541 20.556 -0.528 222 H GLU 29 H GLU 29 22.541 18.818 -0.216 223 HA GLU 29 HA GLU 29 20.635 17.736 -2.064 224 HB2 GLU 29 HB2 GLU 29 20.140 18.846 0.730 225 HB3 GLU 29 HB3 GLU 29 19.120 17.710 -0.174 226 HG2 GLU 29 HG2 GLU 29 20.891 16.036 -0.152 227 HG3 GLU 29 HG3 GLU 29 21.948 17.110 0.772 228 H GLN 30 H GLN 30 20.973 21.021 -0.693 229 HA GLN 30 HA GLN 30 18.618 22.079 -1.944 230 HB2 GLN 30 HB2 GLN 30 19.477 24.251 -1.377 231 HB3 GLN 30 HB3 GLN 30 19.670 23.142 -0.028 232 HG2 GLN 30 HG2 GLN 30 22.101 22.880 -0.628 233 HG3 GLN 30 HG3 GLN 30 21.887 24.078 -1.913 234 HE21 GLN 30 HE22 GLN 30 21.267 26.343 -1.241 235 HE22 GLN 30 HE21 GLN 30 21.719 26.854 0.377 236 H GLN 31 H GLN 31 22.003 21.738 -3.182 237 HA GLN 31 HA GLN 31 21.397 23.242 -5.568 238 HB2 GLN 31 HB2 GLN 31 23.681 22.959 -4.651 239 HB3 GLN 31 HB3 GLN 31 23.635 21.243 -5.063 240 HG2 GLN 31 HG2 GLN 31 24.911 22.512 -6.716 241 HG3 GLN 31 HG3 GLN 31 23.474 21.829 -7.468 242 HE21 GLN 31 HE22 GLN 31 21.721 23.285 -8.097 243 HE22 GLN 31 HE21 GLN 31 21.972 25.039 -8.099 244 H PHE 32 H PHE 32 21.160 19.755 -4.769 245 HA PHE 32 HA PHE 32 20.381 18.933 -7.423 246 HB2 PHE 32 HB2 PHE 32 21.217 17.409 -5.675 247 HB3 PHE 32 HB3 PHE 32 19.814 17.747 -4.688 248 HD1 PHE 32 HD1 PHE 32 19.085 17.278 -8.300 249 HD2 PHE 32 HD2 PHE 32 19.682 15.271 -4.530 250 HE1 PHE 32 HE1 PHE 32 17.892 15.306 -9.164 251 HE2 PHE 32 HE2 PHE 32 18.521 13.267 -5.424 252 HZ PHE 32 HZ PHE 32 17.586 13.298 -7.733 253 H LEU 33 H LEU 33 18.409 19.978 -4.547 254 HA LEU 33 HA LEU 33 15.897 19.770 -5.863 255 HB2 LEU 33 HB2 LEU 33 16.266 19.970 -3.442 256 HB3 LEU 33 HB3 LEU 33 16.815 21.620 -3.627 257 HG LEU 33 HG LEU 33 14.504 21.267 -2.700 258 HD11 LEU 33 HD11 LEU 33 13.474 23.141 -3.778 259 HD12 LEU 33 HD12 LEU 33 15.212 23.442 -3.678 260 HD13 LEU 33 HD13 LEU 33 14.479 22.960 -5.220 261 HD21 LEU 33 HD21 LEU 33 13.704 20.606 -5.562 262 HD22 LEU 33 HD22 LEU 33 13.775 19.444 -4.212 263 HD23 LEU 33 HD23 LEU 33 12.638 20.799 -4.160 264 H GLU 34 H GLU 34 18.151 22.553 -5.727 265 HA GLU 34 HA GLU 34 16.608 24.290 -7.374 266 HB2 GLU 34 HB2 GLU 34 18.546 24.965 -5.978 267 HB3 GLU 34 HB3 GLU 34 19.630 24.113 -7.084 268 HG2 GLU 34 HG2 GLU 34 18.863 25.623 -8.940 269 HG3 GLU 34 HG3 GLU 34 17.849 26.490 -7.783 270 H ALA 35 H ALA 35 19.016 21.793 -8.329 271 HA ALA 35 HA ALA 35 18.900 22.348 -11.140 272 HB1 ALA 35 HB1 ALA 35 19.538 19.738 -9.692 273 HB2 ALA 35 HB2 ALA 35 19.935 20.137 -11.380 274 HB3 ALA 35 HB3 ALA 35 20.693 21.041 -10.056 275 H MET 36 H MET 36 16.850 20.245 -9.064 276 HA MET 36 HA MET 36 15.213 19.249 -11.264 277 HB2 MET 36 HB2 MET 36 14.791 19.451 -8.255 278 HB3 MET 36 HB3 MET 36 13.606 18.735 -9.346 279 HG2 MET 36 HG2 MET 36 16.498 17.798 -9.244 280 HG3 MET 36 HG3 MET 36 15.264 17.150 -8.182 281 HE1 MET 36 HE1 MET 36 13.010 14.961 -10.286 282 HE2 MET 36 HE2 MET 36 13.613 15.386 -8.672 283 HE3 MET 36 HE3 MET 36 12.682 16.567 -9.615 284 H GLU 37 H GLU 37 14.770 22.104 -9.050 285 HA GLU 37 HA GLU 37 12.317 22.948 -10.304 286 HB2 GLU 37 HB2 GLU 37 14.458 24.515 -8.809 287 HB3 GLU 37 HB3 GLU 37 12.928 25.204 -9.377 288 HG2 GLU 37 HG2 GLU 37 11.706 23.450 -8.057 289 HG3 GLU 37 HG3 GLU 37 13.238 22.972 -7.334 290 H SER 38 H SER 38 15.729 23.675 -11.096 291 HA SER 38 HA SER 38 15.238 25.571 -13.173 292 HB2 SER 38 HB2 SER 38 17.411 25.159 -12.013 293 HB3 SER 38 HB3 SER 38 17.542 23.606 -12.847 294 HG SER 38 HG SER 38 17.495 26.221 -14.017 295 H THR 39 H THR 39 15.033 22.049 -13.217 296 HA THR 39 HA THR 39 14.878 22.025 -16.205 297 HB THR 39 HB THR 39 15.482 19.644 -16.030 298 HG1 THR 39 HG1 THR 39 16.153 20.137 -13.344 299 HG21 THR 39 HG21 THR 39 17.261 21.317 -16.332 300 HG22 THR 39 HG22 THR 39 17.394 21.534 -14.579 301 HG23 THR 39 HG23 THR 39 17.826 19.983 -15.305 302 H GLY 40 H GLY 40 12.678 22.108 -13.756 303 HA2 GLY 40 HA2 GLY 40 10.393 21.754 -13.854 304 HA3 GLY 40 HA3 GLY 40 10.562 21.072 -15.476 305 H GLY 41 H GLY 41 12.419 19.780 -12.770 306 HA2 GLY 41 HA2 GLY 41 12.127 17.956 -11.416 307 HA3 GLY 41 HA3 GLY 41 10.490 17.738 -12.040 308 H ARG 42 H ARG 42 12.848 17.721 -14.599 309 HA ARG 42 HA ARG 42 12.553 14.769 -14.918 310 HB2 ARG 42 HB2 ARG 42 13.814 16.940 -16.632 311 HB3 ARG 42 HB3 ARG 42 14.095 15.218 -16.888 312 HG2 ARG 42 HG2 ARG 42 11.439 15.048 -16.825 313 HG3 ARG 42 HG3 ARG 42 11.531 16.768 -17.248 314 HD2 ARG 42 HD2 ARG 42 13.021 16.154 -19.181 315 HD3 ARG 42 HD3 ARG 42 12.952 14.473 -18.660 316 HE ARG 42 HE ARG 42 10.812 14.240 -19.540 317 HH11 ARG 42 HH22 ARG 42 11.568 17.672 -19.690 318 HH12 ARG 42 HH21 ARG 42 10.203 18.013 -20.711 319 HH21 ARG 42 HH12 ARG 42 9.082 14.761 -20.819 320 HH22 ARG 42 HH11 ARG 42 8.833 16.406 -21.325 321 H VAL 43 H VAL 43 13.785 13.537 -13.614 322 HA VAL 43 HA VAL 43 16.103 14.438 -12.274 323 HB VAL 43 HB VAL 43 15.255 11.593 -12.908 324 HG11 VAL 43 HG11 VAL 43 17.640 11.555 -12.243 325 HG12 VAL 43 HG12 VAL 43 17.290 12.619 -10.864 326 HG13 VAL 43 HG13 VAL 43 16.637 10.962 -10.921 327 HG21 VAL 43 HG21 VAL 43 14.326 11.635 -10.671 328 HG22 VAL 43 HG22 VAL 43 14.974 13.272 -10.374 329 HG23 VAL 43 HG23 VAL 43 13.667 13.029 -11.545 330 H ARG 44 H ARG 44 15.962 12.747 -15.473 331 HA ARG 44 HA ARG 44 18.776 12.396 -15.712 332 HB2 ARG 44 HB2 ARG 44 18.382 12.030 -18.060 333 HB3 ARG 44 HB3 ARG 44 17.200 11.192 -17.073 334 HG2 ARG 44 HG2 ARG 44 15.470 12.951 -17.681 335 HG3 ARG 44 HG3 ARG 44 16.699 13.758 -18.653 336 HD2 ARG 44 HD2 ARG 44 15.333 12.458 -20.120 337 HD3 ARG 44 HD3 ARG 44 16.955 11.747 -20.055 338 HE ARG 44 HE ARG 44 15.146 10.508 -18.138 339 HH11 ARG 44 HH21 ARG 44 15.870 10.452 -21.573 340 HH12 ARG 44 HH22 ARG 44 15.290 8.824 -21.764 341 HH21 ARG 44 HH12 ARG 44 14.454 8.416 -18.447 342 HH22 ARG 44 HH11 ARG 44 14.501 7.708 -20.035 343 H ILE 45 H ILE 45 16.805 15.225 -16.598 344 HA ILE 45 HA ILE 45 19.114 16.632 -17.759 345 HB ILE 45 HB ILE 45 16.438 17.836 -17.040 346 HG12 ILE 45 HG12 ILE 45 15.867 15.994 -18.493 347 HG13 ILE 45 HG13 ILE 45 15.715 17.490 -19.366 348 HG21 ILE 45 HG21 ILE 45 17.020 19.453 -18.838 349 HG22 ILE 45 HG22 ILE 45 18.254 19.451 -17.577 350 HG23 ILE 45 HG23 ILE 45 18.564 18.620 -19.098 351 HD11 ILE 45 HD11 ILE 45 17.806 17.061 -20.593 352 HD12 ILE 45 HD12 ILE 45 18.080 15.579 -19.646 353 HD13 ILE 45 HD13 ILE 45 16.697 15.697 -20.750 354 H ALA 46 H ALA 46 17.346 16.621 -14.644 355 HA ALA 46 HA ALA 46 18.743 18.765 -13.427 356 HB1 ALA 46 HB1 ALA 46 17.600 16.250 -12.134 357 HB2 ALA 46 HB2 ALA 46 17.956 17.790 -11.330 358 HB3 ALA 46 HB3 ALA 46 16.671 17.703 -12.550 359 H ILE 47 H ILE 47 19.544 15.187 -13.335 360 HA ILE 47 HA ILE 47 22.010 15.703 -11.959 361 HB ILE 47 HB ILE 47 22.648 13.450 -12.317 362 HG12 ILE 47 HG12 ILE 47 20.327 13.198 -14.262 363 HG13 ILE 47 HG13 ILE 47 22.042 13.090 -14.641 364 HG21 ILE 47 HG21 ILE 47 20.956 14.105 -10.599 365 HG22 ILE 47 HG22 ILE 47 19.673 13.554 -11.690 366 HG23 ILE 47 HG23 ILE 47 20.877 12.402 -11.083 367 HD11 ILE 47 HD11 ILE 47 21.140 10.865 -14.587 368 HD12 ILE 47 HD12 ILE 47 22.194 11.055 -13.169 369 HD13 ILE 47 HD13 ILE 47 20.421 11.114 -12.989 370 H ALA 48 H ALA 48 21.281 15.518 -15.492 371 HA ALA 48 HA ALA 48 23.934 15.787 -16.401 372 HB1 ALA 48 HB1 ALA 48 21.348 16.966 -17.501 373 HB2 ALA 48 HB2 ALA 48 22.870 16.805 -18.405 374 HB3 ALA 48 HB3 ALA 48 22.002 15.359 -17.852 375 H LYS 49 H LYS 49 21.686 18.500 -15.420 376 HA LYS 49 HA LYS 49 23.757 20.523 -15.772 377 HB2 LYS 49 HB2 LYS 49 21.109 20.570 -14.251 378 HB3 LYS 49 HB3 LYS 49 22.197 21.953 -14.413 379 HG2 LYS 49 HG2 LYS 49 22.039 21.666 -16.955 380 HG3 LYS 49 HG3 LYS 49 20.766 20.485 -16.658 381 HD2 LYS 49 HD2 LYS 49 19.649 22.515 -17.123 382 HD3 LYS 49 HD3 LYS 49 19.521 22.314 -15.367 383 HE2 LYS 49 HE2 LYS 49 21.399 23.903 -15.036 384 HE3 LYS 49 HE3 LYS 49 21.606 24.041 -16.786 385 HZ1 LYS 49 HZ1 LYS 49 20.292 25.892 -15.908 386 HZ2 LYS 49 HZ2 LYS 49 19.356 25.013 -16.909 387 HZ3 LYS 49 HZ3 LYS 49 19.157 24.900 -15.286 388 H LEU 50 H LEU 50 22.670 18.656 -12.923 389 HA LEU 50 HA LEU 50 24.229 20.003 -10.994 390 HB2 LEU 50 HB2 LEU 50 22.302 18.372 -10.747 391 HB3 LEU 50 HB3 LEU 50 23.437 17.063 -11.090 392 HG LEU 50 HG LEU 50 24.640 17.567 -9.003 393 HD11 LEU 50 HD11 LEU 50 24.287 19.948 -8.722 394 HD12 LEU 50 HD12 LEU 50 22.513 19.752 -8.726 395 HD13 LEU 50 HD13 LEU 50 23.474 19.146 -7.372 396 HD21 LEU 50 HD21 LEU 50 22.729 15.979 -9.008 397 HD22 LEU 50 HD22 LEU 50 22.779 16.865 -7.483 398 HD23 LEU 50 HD23 LEU 50 21.598 17.315 -8.729 399 H LEU 51 H LEU 51 25.131 17.275 -13.145 400 HA LEU 51 HA LEU 51 27.872 17.115 -12.177 401 HB2 LEU 51 HB2 LEU 51 26.434 16.119 -14.669 402 HB3 LEU 51 HB3 LEU 51 28.137 15.806 -14.369 403 HG LEU 51 HG LEU 51 25.951 14.963 -12.418 404 HD11 LEU 51 HD11 LEU 51 27.307 13.328 -14.604 405 HD12 LEU 51 HD12 LEU 51 26.169 12.714 -13.387 406 HD13 LEU 51 HD13 LEU 51 25.610 13.872 -14.605 407 HD21 LEU 51 HD21 LEU 51 28.192 15.054 -11.398 408 HD22 LEU 51 HD22 LEU 51 27.713 13.365 -11.646 409 HD23 LEU 51 HD23 LEU 51 28.865 14.126 -12.756 410 H SER 52 H SER 52 26.368 18.745 -15.017 411 HA SER 52 HA SER 52 28.901 19.543 -16.122 412 HB2 SER 52 HB2 SER 52 26.119 20.622 -16.721 413 HB3 SER 52 HB3 SER 52 27.574 20.885 -17.695 414 HG SER 52 HG SER 52 26.155 18.476 -17.238 415 H LYS 53 H LYS 53 26.724 21.180 -13.916 416 HA LYS 53 HA LYS 53 26.622 23.127 -12.836 417 HB2 LYS 53 HB2 LYS 53 29.645 22.976 -13.079 418 HB3 LYS 53 HB3 LYS 53 28.795 24.181 -12.102 419 HG2 LYS 53 HG2 LYS 53 27.720 22.478 -10.776 420 HG3 LYS 53 HG3 LYS 53 28.397 21.182 -11.785 421 HD2 LYS 53 HD2 LYS 53 30.680 21.828 -11.129 422 HD3 LYS 53 HD3 LYS 53 30.032 23.133 -10.109 423 HE2 LYS 53 HE2 LYS 53 28.788 21.437 -8.761 424 HE3 LYS 53 HE3 LYS 53 29.460 20.149 -9.770 425 HZ1 LYS 53 HZ1 LYS 53 31.063 21.995 -8.059 426 HZ2 LYS 53 HZ2 LYS 53 30.760 20.428 -7.720 427 HZ3 LYS 53 HZ3 LYS 53 31.697 20.820 -9.001 428 H GLN 54 H GLN 54 29.005 23.812 -15.404 429 HA GLN 54 HA GLN 54 28.020 26.572 -15.561 430 HB2 GLN 54 HB2 GLN 54 30.255 25.156 -17.068 431 HB3 GLN 54 HB3 GLN 54 29.867 26.875 -17.208 432 HG2 GLN 54 HG2 GLN 54 30.313 27.171 -14.769 433 HG3 GLN 54 HG3 GLN 54 30.791 25.476 -14.658 434 HE21 GLN 54 HE22 GLN 54 32.726 24.775 -16.005 435 HE22 GLN 54 HE21 GLN 54 33.945 25.995 -16.345 436 H THR 55 H THR 55 27.385 27.585 -17.608 437 HA THR 55 HA THR 55 25.588 25.908 -19.225 438 HB THR 55 HB THR 55 24.984 28.097 -20.273 439 HG1 THR 55 HG1 THR 55 25.812 29.969 -19.309 440 HG21 THR 55 HG21 THR 55 24.895 28.103 -17.219 441 HG22 THR 55 HG22 THR 55 23.828 29.008 -18.318 442 HG23 THR 55 HG23 THR 55 23.764 27.241 -18.283 443 H SER 56 H SER 56 28.826 27.099 -19.589 444 HA SER 56 HA SER 56 28.968 27.262 -22.437 445 HB2 SER 56 HB2 SER 56 31.202 26.694 -20.449 446 HB3 SER 56 HB3 SER 56 31.390 27.255 -22.122 447 HG SER 56 HG SER 56 31.479 29.007 -20.638 448 H GLY 57 H GLY 57 30.033 25.897 -23.953 449 HA2 GLY 57 HA2 GLY 57 30.772 23.934 -24.936 450 HA3 GLY 57 HA3 GLY 57 30.952 23.231 -23.332 451 H GLY 58 H GLY 58 30.190 21.242 -24.127 452 HA2 GLY 58 HA2 GLY 58 28.550 19.597 -24.241 453 HA3 GLY 58 HA3 GLY 58 27.286 20.816 -24.150 454 H SER 59 H SER 59 26.712 18.882 -25.786 455 HA SER 59 HA SER 59 27.756 19.013 -28.456 456 HB2 SER 59 HB2 SER 59 25.136 17.839 -27.459 457 HB3 SER 59 HB3 SER 59 25.889 17.527 -29.033 458 HG SER 59 HG SER 59 26.394 15.884 -27.481 459 H GLY 60 H GLY 60 26.953 19.867 -30.353 460 HA2 GLY 60 HA2 GLY 60 24.455 21.038 -30.862 461 HA3 GLY 60 HA3 GLY 60 25.482 22.335 -30.254 462 H GLY 61 H GLY 61 24.672 22.886 -32.600 463 HA2 GLY 61 HA2 GLY 61 25.443 23.745 -34.581 464 HA3 GLY 61 HA3 GLY 61 27.020 23.055 -34.229 465 H SER 62 H SER 62 26.450 20.321 -34.248 466 HA SER 62 HA SER 62 25.858 19.820 -37.135 467 HB2 SER 62 HB2 SER 62 27.644 18.304 -35.200 468 HB3 SER 62 HB3 SER 62 27.352 17.873 -36.897 469 HG SER 62 HG SER 62 29.280 19.119 -36.619 470 H LYS 63 H LYS 63 24.742 18.034 -37.814 471 HA LYS 63 HA LYS 63 22.843 16.799 -37.873 472 HB2 LYS 63 HB2 LYS 63 24.590 15.190 -37.412 473 HB3 LYS 63 HB3 LYS 63 24.387 15.373 -35.675 474 HG2 LYS 63 HG2 LYS 63 23.413 13.285 -36.712 475 HG3 LYS 63 HG3 LYS 63 22.337 14.189 -35.668 476 HD2 LYS 63 HD2 LYS 63 21.206 15.170 -37.686 477 HD3 LYS 63 HD3 LYS 63 22.327 14.263 -38.718 478 HE2 LYS 63 HE2 LYS 63 20.311 13.018 -38.679 479 HE3 LYS 63 HE3 LYS 63 21.448 12.129 -37.662 480 HZ1 LYS 63 HZ1 LYS 63 19.223 12.341 -36.634 481 HZ2 LYS 63 HZ2 LYS 63 20.339 13.092 -35.701 482 HZ3 LYS 63 HZ3 LYS 63 19.319 13.970 -36.649 483 H LEU 64 H LEU 64 21.848 18.854 -37.101 484 HA LEU 64 HA LEU 64 20.305 18.521 -34.580 485 HB2 LEU 64 HB2 LEU 64 20.398 20.870 -36.509 486 HB3 LEU 64 HB3 LEU 64 19.618 20.837 -34.930 487 HG LEU 64 HG LEU 64 22.624 20.624 -35.447 488 HD11 LEU 64 HD11 LEU 64 22.720 22.856 -34.430 489 HD12 LEU 64 HD12 LEU 64 21.697 22.865 -35.871 490 HD13 LEU 64 HD13 LEU 64 20.950 22.873 -34.255 491 HD21 LEU 64 HD21 LEU 64 22.052 19.398 -33.397 492 HD22 LEU 64 HD22 LEU 64 22.855 20.915 -32.992 493 HD23 LEU 64 HD23 LEU 64 21.091 20.777 -32.810 494 H GLY 65 H GLY 65 18.281 17.773 -34.573 495 HA2 GLY 65 HA2 GLY 65 16.229 16.975 -35.292 496 HA3 GLY 65 HA3 GLY 65 16.345 18.051 -36.681 497 H GLY 66 H GLY 66 15.440 16.452 -38.040 498 HA2 GLY 66 HA2 GLY 66 15.684 15.041 -39.824 499 HA3 GLY 66 HA3 GLY 66 17.396 14.879 -39.436 500 H SER 67 H SER 67 15.390 13.934 -36.816 501 HA SER 67 HA SER 67 15.268 11.064 -37.607 502 HB2 SER 67 HB2 SER 67 16.603 12.106 -35.080 503 HB3 SER 67 HB3 SER 67 16.233 10.405 -35.408 504 HG SER 67 HG SER 67 17.651 10.449 -37.168 505 H GLY 68 H GLY 68 13.777 9.814 -36.460 506 HA2 GLY 68 HA2 GLY 68 11.937 9.331 -35.139 507 HA3 GLY 68 HA3 GLY 68 12.062 10.899 -34.355 508 H GLY 69 H GLY 69 9.616 10.131 -34.737 509 HA2 GLY 69 HA2 GLY 69 8.465 10.785 -37.342 510 HA3 GLY 69 HA3 GLY 69 7.610 10.284 -35.890 511 H SER 70 H SER 70 9.304 12.790 -34.710 512 HA SER 70 HA SER 70 8.719 14.841 -33.952 513 HB2 SER 70 HB2 SER 70 8.027 15.319 -36.863 514 HB3 SER 70 HB3 SER 70 8.369 16.563 -35.647 515 HG SER 70 HG SER 70 10.233 16.039 -36.904 516 H ARG 71 H ARG 71 6.607 12.965 -33.562 517 HA ARG 71 HA ARG 71 4.044 14.315 -34.061 518 HB2 ARG 71 HB2 ARG 71 4.674 11.871 -32.345 519 HB3 ARG 71 HB3 ARG 71 3.061 12.441 -32.801 520 HG2 ARG 71 HG2 ARG 71 3.661 12.065 -35.224 521 HG3 ARG 71 HG3 ARG 71 5.200 11.375 -34.687 522 HD2 ARG 71 HD2 ARG 71 3.805 9.523 -35.059 523 HD3 ARG 71 HD3 ARG 71 3.873 9.693 -33.311 524 HE ARG 71 HE ARG 71 1.597 10.485 -35.113 525 HH11 ARG 71 HH11 ARG 71 2.526 9.766 -31.781 526 HH12 ARG 71 HH12 ARG 71 0.860 9.511 -31.324 527 HH21 ARG 71 HH21 ARG 71 -0.479 10.174 -34.371 528 HH22 ARG 71 HH22 ARG 71 -0.735 9.715 -32.710 529 H LYS 72 H LYS 72 2.562 14.962 -32.452 530 HA LYS 72 HA LYS 72 3.717 16.101 -29.943 531 HB2 LYS 72 HB2 LYS 72 1.042 16.581 -31.311 532 HB3 LYS 72 HB3 LYS 72 1.583 17.355 -29.813 533 HG2 LYS 72 HG2 LYS 72 3.522 18.343 -31.010 534 HG3 LYS 72 HG3 LYS 72 2.938 17.630 -32.528 535 HD2 LYS 72 HD2 LYS 72 0.828 18.938 -32.336 536 HD3 LYS 72 HD3 LYS 72 1.373 19.588 -30.789 537 HE2 LYS 72 HE2 LYS 72 1.755 21.287 -32.403 538 HE3 LYS 72 HE3 LYS 72 3.332 20.654 -31.930 539 HZ1 LYS 72 HZ1 LYS 72 3.369 19.370 -34.011 540 HZ2 LYS 72 HZ2 LYS 72 1.872 19.900 -34.425 541 HZ3 LYS 72 HZ3 LYS 72 3.123 20.942 -34.354 542 H ASP 73 H ASP 73 2.873 13.184 -30.570 543 HA ASP 73 HA ASP 73 1.553 12.558 -28.000 544 HB2 ASP 73 HB2 ASP 73 -0.332 12.810 -29.477 545 HB3 ASP 73 HB3 ASP 73 0.476 11.942 -30.776 546 H LEU 74 H LEU 74 2.125 10.541 -27.206 547 HA LEU 74 HA LEU 74 3.555 8.580 -28.806 548 HB2 LEU 74 HB2 LEU 74 5.620 8.600 -27.720 549 HB3 LEU 74 HB3 LEU 74 5.331 10.264 -28.173 550 HG LEU 74 HG LEU 74 5.023 9.092 -25.364 551 HD11 LEU 74 HD11 LEU 74 7.061 10.354 -24.862 552 HD12 LEU 74 HD12 LEU 74 7.352 9.194 -26.165 553 HD13 LEU 74 HD13 LEU 74 7.152 10.917 -26.547 554 HD21 LEU 74 HD21 LEU 74 4.973 11.488 -24.624 555 HD22 LEU 74 HD22 LEU 74 4.824 11.982 -26.325 556 HD23 LEU 74 HD23 LEU 74 3.543 11.022 -25.535 557 H SER 75 H SER 75 4.093 6.620 -27.584 558 HA SER 75 HA SER 75 2.677 6.196 -25.015 559 HB2 SER 75 HB2 SER 75 1.619 4.143 -25.841 560 HB3 SER 75 HB3 SER 75 1.052 5.565 -26.727 561 HG SER 75 HG SER 75 1.554 3.817 -28.143 562 H VAL 76 H VAL 76 3.235 4.111 -24.005 563 HA VAL 76 HA VAL 76 5.892 2.998 -24.737 564 HB VAL 76 HB VAL 76 6.565 3.049 -22.326 565 HG11 VAL 76 HG11 VAL 76 7.442 5.307 -22.381 566 HG12 VAL 76 HG12 VAL 76 7.523 4.568 -23.991 567 HG13 VAL 76 HG13 VAL 76 6.266 5.776 -23.632 568 HG21 VAL 76 HG21 VAL 76 4.411 5.180 -22.008 569 HG22 VAL 76 HG22 VAL 76 4.349 3.545 -21.301 570 HG23 VAL 76 HG23 VAL 76 5.615 4.680 -20.807 571 H LYS 77 H LYS 77 6.433 1.015 -23.731 572 HA LYS 77 HA LYS 77 4.135 -0.817 -23.629 573 HB2 LYS 77 HB2 LYS 77 7.137 -1.303 -23.454 574 HB3 LYS 77 HB3 LYS 77 5.904 -2.570 -23.524 575 HG2 LYS 77 HG2 LYS 77 5.123 -1.705 -25.723 576 HG3 LYS 77 HG3 LYS 77 6.407 -0.480 -25.694 577 HD2 LYS 77 HD2 LYS 77 8.122 -2.274 -25.599 578 HD3 LYS 77 HD3 LYS 77 6.837 -3.504 -25.631 579 HE2 LYS 77 HE2 LYS 77 6.063 -2.634 -27.831 580 HE3 LYS 77 HE3 LYS 77 7.341 -1.414 -27.801 581 HZ1 LYS 77 HZ1 LYS 77 8.005 -3.349 -29.114 582 HZ2 LYS 77 HZ2 LYS 77 8.984 -3.221 -27.821 583 HZ3 LYS 77 HZ3 LYS 77 7.804 -4.356 -27.847 584 H GLY 78 H GLY 78 5.931 0.811 -21.226 585 HA2 GLY 78 HA2 GLY 78 4.368 -0.311 -19.062 586 HA3 GLY 78 HA3 GLY 78 6.059 -0.829 -18.997 587 H MET 79 H MET 79 5.197 0.573 -16.905 588 HA MET 79 HA MET 79 5.294 2.442 -15.622 589 HB2 MET 79 HB2 MET 79 7.757 3.065 -17.289 590 HB3 MET 79 HB3 MET 79 7.355 3.766 -15.716 591 HG2 MET 79 HG2 MET 79 7.404 1.513 -14.693 592 HG3 MET 79 HG3 MET 79 7.875 0.820 -16.249 593 HE1 MET 79 HE1 MET 79 9.918 -0.379 -15.090 594 HE2 MET 79 HE2 MET 79 11.122 0.462 -14.087 595 HE3 MET 79 HE3 MET 79 9.441 0.323 -13.528 596 H LEU 80 H LEU 80 3.410 2.664 -17.602 597 HA LEU 80 HA LEU 80 3.521 5.108 -19.084 598 HB2 LEU 80 HB2 LEU 80 2.181 3.116 -19.666 599 HB3 LEU 80 HB3 LEU 80 1.173 3.365 -18.238 600 HG LEU 80 HG LEU 80 0.297 5.471 -19.182 601 HD11 LEU 80 HD11 LEU 80 0.744 6.060 -21.547 602 HD12 LEU 80 HD12 LEU 80 2.216 6.187 -20.586 603 HD13 LEU 80 HD13 LEU 80 1.970 4.773 -21.641 604 HD21 LEU 80 HD21 LEU 80 -0.814 3.310 -19.665 605 HD22 LEU 80 HD22 LEU 80 -1.015 4.468 -20.991 606 HD23 LEU 80 HD23 LEU 80 0.158 3.139 -21.138 607 H TYR 81 H TYR 81 2.555 4.486 -15.780 608 HA TYR 81 HA TYR 81 1.695 7.322 -15.424 609 HB2 TYR 81 HB2 TYR 81 0.448 4.898 -14.093 610 HB3 TYR 81 HB3 TYR 81 -0.034 6.574 -13.887 611 HD1 TYR 81 HD1 TYR 81 -0.753 7.855 -16.113 612 HD2 TYR 81 HD2 TYR 81 -0.725 3.563 -15.636 613 HE1 TYR 81 HE1 TYR 81 -2.396 7.635 -17.974 614 HE2 TYR 81 HE2 TYR 81 -2.375 3.347 -17.483 615 HH TYR 81 HH TYR 81 -3.662 4.451 -19.049 616 H ASP 82 H ASP 82 1.946 8.197 -13.328 617 HA ASP 82 HA ASP 82 3.328 8.877 -11.699 618 HB2 ASP 82 HB2 ASP 82 1.761 7.384 -10.545 619 HB3 ASP 82 HB3 ASP 82 2.908 6.053 -10.691 620 H SER 83 H SER 83 4.938 8.830 -13.610 621 HA SER 83 HA SER 83 7.111 7.113 -13.753 622 HB2 SER 83 HB2 SER 83 7.149 10.114 -14.259 623 HB3 SER 83 HB3 SER 83 8.249 8.904 -14.948 624 HG SER 83 HG SER 83 6.542 9.451 -16.406 625 H ASP 84 H ASP 84 9.278 7.150 -13.035 626 HA ASP 84 HA ASP 84 9.619 7.619 -10.293 627 HB2 ASP 84 HB2 ASP 84 11.861 6.937 -10.565 628 HB3 ASP 84 HB3 ASP 84 10.884 5.991 -11.679 629 H SER 85 H SER 85 10.372 9.864 -12.965 630 HA SER 85 HA SER 85 11.946 11.683 -11.463 631 HB2 SER 85 HB2 SER 85 10.242 11.962 -13.936 632 HB3 SER 85 HB3 SER 85 10.863 13.407 -13.150 633 HG SER 85 HG SER 85 12.364 11.233 -14.216 634 H GLN 86 H GLN 86 8.323 11.588 -11.689 635 HA GLN 86 HA GLN 86 8.149 13.912 -9.949 636 HB2 GLN 86 HB2 GLN 86 5.837 13.715 -9.941 637 HB3 GLN 86 HB3 GLN 86 6.411 13.491 -11.584 638 HG2 GLN 86 HG2 GLN 86 5.913 11.102 -11.489 639 HG3 GLN 86 HG3 GLN 86 5.579 11.189 -9.753 640 HE21 GLN 86 HE22 GLN 86 3.406 10.414 -9.943 641 HE22 GLN 86 HE21 GLN 86 2.164 11.437 -10.681 642 H GLN 87 H GLN 87 8.192 10.399 -9.339 643 HA GLN 87 HA GLN 87 7.571 10.542 -6.536 644 HB2 GLN 87 HB2 GLN 87 9.385 8.610 -8.038 645 HB3 GLN 87 HB3 GLN 87 8.807 8.396 -6.389 646 HG2 GLN 87 HG2 GLN 87 6.467 8.296 -7.193 647 HG3 GLN 87 HG3 GLN 87 7.016 8.513 -8.861 648 HE21 GLN 87 HE22 GLN 87 5.492 6.264 -8.241 649 HE22 GLN 87 HE21 GLN 87 6.546 4.850 -8.300 650 H ILE 88 H ILE 88 10.741 10.660 -8.243 651 HA ILE 88 HA ILE 88 12.355 11.160 -5.918 652 HB ILE 88 HB ILE 88 12.737 11.771 -8.867 653 HG12 ILE 88 HG12 ILE 88 12.637 9.335 -8.137 654 HG13 ILE 88 HG13 ILE 88 14.064 9.839 -9.026 655 HG21 ILE 88 HG21 ILE 88 14.710 12.147 -6.587 656 HG22 ILE 88 HG22 ILE 88 15.212 11.987 -8.280 657 HG23 ILE 88 HG23 ILE 88 14.189 13.340 -7.780 658 HD11 ILE 88 HD11 ILE 88 15.422 9.787 -7.020 659 HD12 ILE 88 HD12 ILE 88 13.990 9.524 -5.997 660 HD13 ILE 88 HD13 ILE 88 14.515 8.276 -7.144 661 H LEU 89 H LEU 89 10.760 13.497 -8.211 662 HA LEU 89 HA LEU 89 11.665 15.817 -6.852 663 HB2 LEU 89 HB2 LEU 89 10.558 15.834 -9.089 664 HB3 LEU 89 HB3 LEU 89 9.055 15.298 -8.353 665 HG LEU 89 HG LEU 89 8.865 17.427 -7.095 666 HD11 LEU 89 HD11 LEU 89 11.340 18.274 -8.672 667 HD12 LEU 89 HD12 LEU 89 10.317 19.338 -7.694 668 HD13 LEU 89 HD13 LEU 89 11.254 18.068 -6.898 669 HD21 LEU 89 HD21 LEU 89 7.820 17.184 -9.303 670 HD22 LEU 89 HD22 LEU 89 8.339 18.846 -9.013 671 HD23 LEU 89 HD23 LEU 89 9.299 17.799 -10.080 672 H ASN 90 H ASN 90 8.603 13.960 -6.244 673 HA ASN 90 HA ASN 90 7.689 15.576 -4.123 674 HB2 ASN 90 HB2 ASN 90 6.216 13.947 -5.068 675 HB3 ASN 90 HB3 ASN 90 7.355 12.625 -4.785 676 HD21 ASN 90 HD22 ASN 90 5.688 15.176 -2.798 677 HD22 ASN 90 HD21 ASN 90 5.469 14.112 -1.433 678 H ARG 91 H ARG 91 9.771 12.584 -3.808 679 HA ARG 91 HA ARG 91 10.031 13.029 -0.967 680 HB2 ARG 91 HB2 ARG 91 10.262 10.791 -1.882 681 HB3 ARG 91 HB3 ARG 91 11.632 11.285 -2.872 682 HG2 ARG 91 HG2 ARG 91 12.382 10.001 -0.917 683 HG3 ARG 91 HG3 ARG 91 13.012 11.646 -0.864 684 HD2 ARG 91 HD2 ARG 91 11.138 12.226 0.751 685 HD3 ARG 91 HD3 ARG 91 10.752 10.494 0.802 686 HE ARG 91 HE ARG 91 13.556 10.805 1.314 687 HH11 ARG 91 HH11 ARG 91 10.573 11.599 2.999 688 HH12 ARG 91 HH12 ARG 91 11.363 11.572 4.552 689 HH21 ARG 91 HH21 ARG 91 14.449 10.728 3.211 690 HH22 ARG 91 HH22 ARG 91 13.550 11.076 4.684 691 H LEU 92 H LEU 92 12.091 14.168 -3.699 692 HA LEU 92 HA LEU 92 14.160 15.132 -1.921 693 HB2 LEU 92 HB2 LEU 92 14.448 14.674 -4.371 694 HB3 LEU 92 HB3 LEU 92 13.396 16.044 -4.731 695 HG LEU 92 HG LEU 92 15.083 17.552 -3.564 696 HD11 LEU 92 HD11 LEU 92 17.374 16.696 -3.273 697 HD12 LEU 92 HD12 LEU 92 16.265 15.858 -2.180 698 HD13 LEU 92 HD13 LEU 92 16.827 15.057 -3.670 699 HD21 LEU 92 HD21 LEU 92 16.708 17.431 -5.445 700 HD22 LEU 92 HD22 LEU 92 16.016 15.879 -5.931 701 HD23 LEU 92 HD23 LEU 92 15.021 17.356 -5.980 702 H ARG 93 H ARG 93 11.197 16.682 -3.275 703 HA ARG 93 HA ARG 93 11.828 19.287 -2.180 704 HB2 ARG 93 HB2 ARG 93 10.359 18.777 -4.160 705 HB3 ARG 93 HB3 ARG 93 9.120 18.166 -3.058 706 HG2 ARG 93 HG2 ARG 93 8.873 20.387 -2.042 707 HG3 ARG 93 HG3 ARG 93 10.291 20.989 -2.926 708 HD2 ARG 93 HD2 ARG 93 9.070 20.530 -5.097 709 HD3 ARG 93 HD3 ARG 93 7.658 20.066 -4.166 710 HE ARG 93 HE ARG 93 7.254 22.312 -3.589 711 HH11 ARG 93 HH11 ARG 93 10.274 22.198 -5.388 712 HH12 ARG 93 HH12 ARG 93 10.355 23.943 -5.510 713 HH21 ARG 93 HH21 ARG 93 7.408 24.463 -3.797 714 HH22 ARG 93 HH22 ARG 93 8.747 25.185 -4.667 715 H GLU 94 H GLU 94 9.879 16.537 -0.937 716 HA GLU 94 HA GLU 94 9.197 17.864 1.533 717 HB2 GLU 94 HB2 GLU 94 9.457 14.923 0.788 718 HB3 GLU 94 HB3 GLU 94 8.888 15.494 2.370 719 HG2 GLU 94 HG2 GLU 94 7.063 16.734 1.306 720 HG3 GLU 94 HG3 GLU 94 7.616 16.252 -0.294 721 H ARG 95 H ARG 95 11.944 15.632 0.757 722 HA ARG 95 HA ARG 95 13.170 15.699 3.311 723 HB2 ARG 95 HB2 ARG 95 13.632 14.029 1.626 724 HB3 ARG 95 HB3 ARG 95 14.276 15.235 0.508 725 HG2 ARG 95 HG2 ARG 95 16.245 15.569 1.833 726 HG3 ARG 95 HG3 ARG 95 15.590 14.622 3.185 727 HD2 ARG 95 HD2 ARG 95 15.720 12.588 1.984 728 HD3 ARG 95 HD3 ARG 95 15.957 13.394 0.424 729 HE ARG 95 HE ARG 95 18.165 14.227 1.804 730 HH11 ARG 95 HH11 ARG 95 16.988 10.908 1.425 731 HH12 ARG 95 HH12 ARG 95 18.625 10.314 1.323 732 HH21 ARG 95 HH21 ARG 95 20.027 13.449 1.734 733 HH22 ARG 95 HH22 ARG 95 20.392 11.724 1.506 734 H VAL 96 H VAL 96 13.632 17.966 0.586 735 HA VAL 96 HA VAL 96 15.726 19.426 2.084 736 HB VAL 96 HB VAL 96 14.609 19.810 -0.711 737 HG11 VAL 96 HG11 VAL 96 15.524 21.945 0.059 738 HG12 VAL 96 HG12 VAL 96 16.988 21.133 0.662 739 HG13 VAL 96 HG13 VAL 96 16.650 21.204 -1.077 740 HG21 VAL 96 HG21 VAL 96 17.197 18.610 0.369 741 HG22 VAL 96 HG22 VAL 96 15.902 17.706 -0.433 742 HG23 VAL 96 HG23 VAL 96 16.848 18.876 -1.357 743 H SER 97 H SER 97 12.360 20.049 1.025 744 HA SER 97 HA SER 97 12.498 22.714 2.363 745 HB2 SER 97 HB2 SER 97 10.824 21.925 -0.033 746 HB3 SER 97 HB3 SER 97 11.010 23.538 0.676 747 HG SER 97 HG SER 97 12.404 23.389 -1.076 748 H GLY 98 H GLY 98 11.007 19.726 2.887 749 HA2 GLY 98 HA2 GLY 98 9.373 19.201 4.443 750 HA3 GLY 98 HA3 GLY 98 8.985 20.903 4.663 751 H SER 99 H SER 99 6.915 19.190 4.644 752 HA SER 99 HA SER 99 5.817 18.519 2.082 753 HB2 SER 99 HB2 SER 99 3.736 18.081 3.387 754 HB3 SER 99 HB3 SER 99 5.180 17.309 4.071 755 HG SER 99 HG SER 99 3.904 18.363 5.683 756 H THR 100 H THR 100 5.477 21.416 4.083 757 HA THR 100 HA THR 100 3.220 22.576 2.775 758 HB THR 100 HB THR 100 4.038 24.711 3.819 759 HG1 THR 100 HG1 THR 100 5.864 24.543 5.166 760 HG21 THR 100 HG21 THR 100 4.029 22.294 5.685 761 HG22 THR 100 HG22 THR 100 3.719 23.984 6.136 762 HG23 THR 100 HG23 THR 100 2.591 23.135 5.072 763 H ALA 101 H ALA 101 6.545 22.423 1.702 764 HA ALA 101 HA ALA 101 6.428 24.621 -0.154 765 HB1 ALA 101 HB1 ALA 101 8.483 23.605 -1.054 766 HB2 ALA 101 HB2 ALA 101 8.516 23.641 0.715 767 HB3 ALA 101 HB3 ALA 101 8.171 22.116 -0.134 768 H GLN 102 H GLN 102 4.663 21.729 -0.228 769 HA GLN 102 HA GLN 102 4.466 21.650 -3.205 770 HB2 GLN 102 HB2 GLN 102 3.428 19.719 -1.100 771 HB3 GLN 102 HB3 GLN 102 3.371 19.493 -2.852 772 HG2 GLN 102 HG2 GLN 102 5.841 19.526 -2.960 773 HG3 GLN 102 HG3 GLN 102 5.940 19.723 -1.205 774 HE21 GLN 102 HE22 GLN 102 4.497 17.929 0.010 775 HE22 GLN 102 HE21 GLN 102 4.979 16.306 -0.496 776 H SER 103 H SER 103 2.863 23.179 -0.644 777 HA SER 103 HA SER 103 0.117 22.821 -1.455 778 HB2 SER 103 HB2 SER 103 1.386 24.974 0.274 779 HB3 SER 103 HB3 SER 103 -0.348 24.653 0.114 780 HG SER 103 HG SER 103 0.451 23.593 1.953 781 H ALA 104 H ALA 104 -1.306 24.295 -2.413 782 HA ALA 104 HA ALA 104 -0.270 26.687 -3.815 783 HB1 ALA 104 HB1 ALA 104 -0.023 24.835 -5.432 784 HB2 ALA 104 HB2 ALA 104 -1.734 24.395 -5.204 785 HB3 ALA 104 HB3 ALA 104 -1.303 25.955 -5.932 Start of MODEL 9 1 H1 SER 1 H1 SER 1 16.595 -18.193 -5.320 2 H2 SER 1 H2 SER 1 15.221 -18.250 -6.211 3 H3 SER 1 H3 SER 1 16.682 -18.243 -6.955 4 HA SER 1 HA SER 1 15.531 -16.039 -5.369 5 HB2 SER 1 HB2 SER 1 18.183 -16.085 -6.868 6 HB3 SER 1 HB3 SER 1 17.497 -14.716 -5.970 7 HG SER 1 HG SER 1 19.002 -15.905 -4.700 8 H VAL 2 H VAL 2 14.997 -14.106 -6.572 9 HA VAL 2 HA VAL 2 14.792 -14.286 -9.511 10 HB VAL 2 HB VAL 2 12.732 -15.347 -8.615 11 HG11 VAL 2 HG11 VAL 2 10.976 -14.044 -7.564 12 HG12 VAL 2 HG12 VAL 2 12.422 -14.017 -6.547 13 HG13 VAL 2 HG13 VAL 2 12.000 -12.597 -7.534 14 HG21 VAL 2 HG21 VAL 2 12.740 -14.225 -10.823 15 HG22 VAL 2 HG22 VAL 2 11.158 -14.224 -10.032 16 HG23 VAL 2 HG23 VAL 2 12.121 -12.741 -10.048 17 H SER 3 H SER 3 14.501 -12.248 -10.542 18 HA SER 3 HA SER 3 15.640 -9.973 -9.156 19 HB2 SER 3 HB2 SER 3 15.901 -10.534 -11.603 20 HB3 SER 3 HB3 SER 3 14.233 -9.967 -11.842 21 HG SER 3 HG SER 3 15.858 -8.316 -12.172 22 H ILE 4 H ILE 4 14.661 -7.871 -8.929 23 HA ILE 4 HA ILE 4 12.136 -8.033 -7.536 24 HB ILE 4 HB ILE 4 12.375 -5.732 -6.995 25 HG12 ILE 4 HG12 ILE 4 13.195 -4.680 -8.996 26 HG13 ILE 4 HG13 ILE 4 14.208 -4.298 -7.623 27 HG21 ILE 4 HG21 ILE 4 15.029 -7.186 -6.689 28 HG22 ILE 4 HG22 ILE 4 14.447 -5.828 -5.711 29 HG23 ILE 4 HG23 ILE 4 13.586 -7.375 -5.676 30 HD11 ILE 4 HD11 ILE 4 15.626 -4.597 -9.520 31 HD12 ILE 4 HD12 ILE 4 15.902 -5.992 -8.465 32 HD13 ILE 4 HD13 ILE 4 14.901 -6.152 -9.929 33 H LEU 5 H LEU 5 10.170 -7.120 -7.942 34 HA LEU 5 HA LEU 5 9.548 -6.763 -10.833 35 HB2 LEU 5 HB2 LEU 5 7.762 -7.507 -8.492 36 HB3 LEU 5 HB3 LEU 5 7.287 -7.466 -10.187 37 HG LEU 5 HG LEU 5 9.331 -9.373 -8.967 38 HD11 LEU 5 HD11 LEU 5 7.644 -11.086 -9.418 39 HD12 LEU 5 HD12 LEU 5 6.991 -9.841 -8.343 40 HD13 LEU 5 HD13 LEU 5 6.531 -9.856 -10.059 41 HD21 LEU 5 HD21 LEU 5 9.225 -10.536 -11.165 42 HD22 LEU 5 HD22 LEU 5 8.263 -9.192 -11.820 43 HD23 LEU 5 HD23 LEU 5 9.946 -8.933 -11.300 44 H ARG 6 H ARG 6 10.001 -4.707 -8.269 45 HA ARG 6 HA ARG 6 8.241 -2.584 -9.424 46 HB2 ARG 6 HB2 ARG 6 8.644 -3.194 -6.456 47 HB3 ARG 6 HB3 ARG 6 7.799 -1.788 -7.083 48 HG2 ARG 6 HG2 ARG 6 6.910 -4.683 -7.447 49 HG3 ARG 6 HG3 ARG 6 6.282 -3.554 -6.258 50 HD2 ARG 6 HD2 ARG 6 6.064 -3.208 -9.278 51 HD3 ARG 6 HD3 ARG 6 4.795 -3.820 -8.239 52 HE ARG 6 HE ARG 6 5.616 -1.041 -8.599 53 HH11 ARG 6 HH11 ARG 6 3.850 -3.155 -6.423 54 HH12 ARG 6 HH12 ARG 6 2.946 -1.836 -5.734 55 HH21 ARG 6 HH21 ARG 6 4.426 0.587 -7.680 56 HH22 ARG 6 HH22 ARG 6 3.265 0.226 -6.438 57 H SER 7 H SER 7 8.906 -0.466 -9.056 58 HA SER 7 HA SER 7 11.640 0.065 -8.005 59 HB2 SER 7 HB2 SER 7 10.565 1.118 -10.653 60 HB3 SER 7 HB3 SER 7 12.078 1.618 -9.873 61 HG SER 7 HG SER 7 12.408 -0.008 -11.492 62 H SER 8 H SER 8 11.889 2.154 -7.123 63 HA SER 8 HA SER 8 11.222 3.835 -5.757 64 HB2 SER 8 HB2 SER 8 9.264 4.476 -7.990 65 HB3 SER 8 HB3 SER 8 9.778 5.584 -6.707 66 HG SER 8 HG SER 8 10.838 5.550 -8.906 67 H VAL 9 H VAL 9 10.132 1.375 -5.070 68 HA VAL 9 HA VAL 9 7.279 1.391 -4.931 69 HB VAL 9 HB VAL 9 8.883 -0.579 -5.043 70 HG11 VAL 9 HG11 VAL 9 10.243 -0.016 -2.997 71 HG12 VAL 9 HG12 VAL 9 8.831 -0.421 -1.997 72 HG13 VAL 9 HG13 VAL 9 9.590 -1.657 -3.011 73 HG21 VAL 9 HG21 VAL 9 7.329 -2.106 -3.982 74 HG22 VAL 9 HG22 VAL 9 6.587 -0.783 -3.062 75 HG23 VAL 9 HG23 VAL 9 6.445 -0.828 -4.833 76 H ASN 10 H ASN 10 9.626 2.549 -2.576 77 HA ASN 10 HA ASN 10 7.465 3.655 -0.937 78 HB2 ASN 10 HB2 ASN 10 8.171 2.622 1.150 79 HB3 ASN 10 HB3 ASN 10 7.764 1.378 -0.009 80 HD21 ASN 10 HD22 ASN 10 8.999 -0.048 1.481 81 HD22 ASN 10 HD21 ASN 10 10.748 -0.065 1.325 82 H HIS 11 H HIS 11 8.496 4.925 1.001 83 HA HIS 11 HA HIS 11 10.137 6.960 -0.173 84 HB2 HIS 11 HB2 HIS 11 10.111 7.961 2.070 85 HB3 HIS 11 HB3 HIS 11 8.509 7.412 1.612 86 HD2 HIS 11 HD2 HIS 11 11.192 6.928 4.253 87 HE1 HIS 11 HE1 HIS 11 8.207 4.014 5.137 88 HE2 HIS 11 HE2 HIS 11 10.316 5.152 5.994 89 H ARG 12 H ARG 12 11.060 4.155 1.851 90 HA ARG 12 HA ARG 12 13.744 5.060 2.378 91 HB2 ARG 12 HB2 ARG 12 12.510 3.306 3.649 92 HB3 ARG 12 HB3 ARG 12 12.642 2.214 2.266 93 HG2 ARG 12 HG2 ARG 12 15.113 2.288 2.421 94 HG3 ARG 12 HG3 ARG 12 15.013 3.410 3.784 95 HD2 ARG 12 HD2 ARG 12 13.849 0.595 3.743 96 HD3 ARG 12 HD3 ARG 12 15.435 1.018 4.415 97 HE ARG 12 HE ARG 12 13.660 2.726 5.709 98 HH11 ARG 12 HH11 ARG 12 14.052 -0.757 5.555 99 HH12 ARG 12 HH12 ARG 12 13.367 -0.998 7.138 100 HH21 ARG 12 HH21 ARG 12 12.786 2.343 7.724 101 HH22 ARG 12 HH22 ARG 12 12.675 0.719 8.330 102 H GLU 13 H GLU 13 12.416 3.026 -0.263 103 HA GLU 13 HA GLU 13 14.951 2.599 -1.553 104 HB2 GLU 13 HB2 GLU 13 12.916 1.223 -1.861 105 HB3 GLU 13 HB3 GLU 13 12.130 2.561 -2.714 106 HG2 GLU 13 HG2 GLU 13 13.764 2.454 -4.507 107 HG3 GLU 13 HG3 GLU 13 14.767 1.315 -3.603 108 H VAL 14 H VAL 14 12.440 5.160 -1.993 109 HA VAL 14 HA VAL 14 13.951 6.463 -4.113 110 HB VAL 14 HB VAL 14 11.672 7.535 -2.420 111 HG11 VAL 14 HG11 VAL 14 12.967 8.576 -4.981 112 HG12 VAL 14 HG12 VAL 14 11.409 9.149 -4.351 113 HG13 VAL 14 HG13 VAL 14 12.890 9.413 -3.417 114 HG21 VAL 14 HG21 VAL 14 10.320 7.054 -4.457 115 HG22 VAL 14 HG22 VAL 14 11.754 6.352 -5.237 116 HG23 VAL 14 HG23 VAL 14 11.033 5.572 -3.813 117 H ASP 15 H ASP 15 13.935 6.848 -0.546 118 HA ASP 15 HA ASP 15 15.664 9.151 -0.479 119 HB2 ASP 15 HB2 ASP 15 14.385 8.435 1.460 120 HB3 ASP 15 HB3 ASP 15 15.210 6.876 1.490 121 H GLU 16 H GLU 16 16.383 5.598 -0.493 122 HA GLU 16 HA GLU 16 19.235 5.848 -0.532 123 HB2 GLU 16 HB2 GLU 16 18.147 3.740 -0.053 124 HB3 GLU 16 HB3 GLU 16 17.380 3.711 -1.651 125 HG2 GLU 16 HG2 GLU 16 19.552 3.493 -2.754 126 HG3 GLU 16 HG3 GLU 16 20.389 3.680 -1.208 127 H ALA 17 H ALA 17 16.864 5.802 -3.263 128 HA ALA 17 HA ALA 17 18.833 5.994 -5.298 129 HB1 ALA 17 HB1 ALA 17 15.945 6.993 -5.316 130 HB2 ALA 17 HB2 ALA 17 16.959 6.684 -6.737 131 HB3 ALA 17 HB3 ALA 17 16.479 5.336 -5.688 132 H ILE 18 H ILE 18 17.074 8.579 -3.509 133 HA ILE 18 HA ILE 18 18.287 10.818 -4.822 134 HB ILE 18 HB ILE 18 16.919 10.388 -2.156 135 HG12 ILE 18 HG12 ILE 18 16.184 12.150 -4.541 136 HG13 ILE 18 HG13 ILE 18 15.692 10.469 -4.406 137 HG21 ILE 18 HG21 ILE 18 18.139 13.024 -3.098 138 HG22 ILE 18 HG22 ILE 18 16.976 12.862 -1.772 139 HG23 ILE 18 HG23 ILE 18 18.559 12.120 -1.629 140 HD11 ILE 18 HD11 ILE 18 14.499 10.995 -2.267 141 HD12 ILE 18 HD12 ILE 18 14.877 12.712 -2.517 142 HD13 ILE 18 HD13 ILE 18 13.866 11.856 -3.686 143 H ASP 19 H ASP 19 19.337 9.039 -1.839 144 HA ASP 19 HA ASP 19 21.689 10.605 -1.404 145 HB2 ASP 19 HB2 ASP 19 20.740 9.188 0.313 146 HB3 ASP 19 HB3 ASP 19 20.944 7.749 -0.686 147 H ASN 20 H ASN 20 21.223 7.615 -3.384 148 HA ASN 20 HA ASN 20 23.957 7.345 -4.161 149 HB2 ASN 20 HB2 ASN 20 22.136 5.622 -4.403 150 HB3 ASN 20 HB3 ASN 20 21.428 6.591 -5.694 151 HD21 ASN 20 HD22 ASN 20 21.715 4.712 -7.114 152 HD22 ASN 20 HD21 ASN 20 23.316 4.351 -7.742 153 H ILE 21 H ILE 21 21.273 9.220 -5.666 154 HA ILE 21 HA ILE 21 22.834 10.266 -7.862 155 HB ILE 21 HB ILE 21 20.232 11.071 -6.521 156 HG12 ILE 21 HG12 ILE 21 20.811 10.200 -9.389 157 HG13 ILE 21 HG13 ILE 21 20.485 9.040 -8.103 158 HG21 ILE 21 HG21 ILE 21 20.009 12.730 -8.485 159 HG22 ILE 21 HG22 ILE 21 21.081 13.208 -7.180 160 HG23 ILE 21 HG23 ILE 21 21.766 12.555 -8.685 161 HD11 ILE 21 HD11 ILE 21 18.438 9.430 -9.314 162 HD12 ILE 21 HD12 ILE 21 18.272 10.109 -7.684 163 HD13 ILE 21 HD13 ILE 21 18.557 11.184 -9.076 164 H LEU 22 H LEU 22 22.090 11.580 -4.608 165 HA LEU 22 HA LEU 22 23.375 14.062 -4.825 166 HB2 LEU 22 HB2 LEU 22 21.834 13.272 -3.034 167 HB3 LEU 22 HB3 LEU 22 23.059 12.143 -2.473 168 HG LEU 22 HG LEU 22 24.536 14.106 -1.933 169 HD11 LEU 22 HD11 LEU 22 21.923 15.638 -2.433 170 HD12 LEU 22 HD12 LEU 22 23.373 16.294 -1.649 171 HD13 LEU 22 HD13 LEU 22 23.430 15.827 -3.351 172 HD21 LEU 22 HD21 LEU 22 23.294 14.652 0.130 173 HD22 LEU 22 HD22 LEU 22 21.821 13.924 -0.556 174 HD23 LEU 22 HD23 LEU 22 23.248 12.919 -0.219 175 H ARG 23 H ARG 23 24.780 10.913 -3.754 176 HA ARG 23 HA ARG 23 27.483 11.971 -3.516 177 HB2 ARG 23 HB2 ARG 23 26.333 9.161 -3.599 178 HB3 ARG 23 HB3 ARG 23 28.065 9.501 -3.392 179 HG2 ARG 23 HG2 ARG 23 27.583 10.862 -1.387 180 HG3 ARG 23 HG3 ARG 23 25.857 10.481 -1.525 181 HD2 ARG 23 HD2 ARG 23 28.084 8.428 -1.126 182 HD3 ARG 23 HD3 ARG 23 27.087 9.112 0.154 183 HE ARG 23 HE ARG 23 25.142 8.007 -0.663 184 HH11 ARG 23 HH11 ARG 23 27.981 6.833 -2.404 185 HH12 ARG 23 HH12 ARG 23 27.121 5.416 -2.934 186 HH21 ARG 23 HH21 ARG 23 24.227 6.298 -1.241 187 HH22 ARG 23 HH22 ARG 23 24.997 5.057 -2.241 188 H TYR 24 H TYR 24 25.839 10.131 -6.154 189 HA TYR 24 HA TYR 24 28.103 9.851 -7.843 190 HB2 TYR 24 HB2 TYR 24 26.053 8.624 -8.187 191 HB3 TYR 24 HB3 TYR 24 25.125 10.106 -8.391 192 HD1 TYR 24 HD2 TYR 24 28.128 8.400 -9.928 193 HD2 TYR 24 HD1 TYR 24 24.509 10.670 -10.562 194 HE1 TYR 24 HE2 TYR 24 28.468 8.255 -12.391 195 HE2 TYR 24 HE1 TYR 24 24.844 10.501 -13.028 196 HH TYR 24 HH TYR 24 27.651 8.802 -14.475 197 H THR 25 H THR 25 25.755 12.563 -7.637 198 HA THR 25 HA THR 25 27.162 14.149 -9.674 199 HB THR 25 HB THR 25 25.585 15.936 -9.042 200 HG1 THR 25 HG1 THR 25 24.339 14.065 -7.330 201 HG21 THR 25 HG21 THR 25 24.820 14.380 -10.735 202 HG22 THR 25 HG22 THR 25 24.238 13.245 -9.497 203 HG23 THR 25 HG23 THR 25 23.472 14.840 -9.670 204 H ASN 26 H ASN 26 27.851 13.510 -6.431 205 HA ASN 26 HA ASN 26 28.926 14.503 -4.758 206 HB2 ASN 26 HB2 ASN 26 30.704 14.201 -6.539 207 HB3 ASN 26 HB3 ASN 26 30.547 15.915 -6.909 208 HD21 ASN 26 HD22 ASN 26 31.142 13.680 -4.124 209 HD22 ASN 26 HD21 ASN 26 32.275 14.776 -3.339 210 H SER 27 H SER 27 26.493 15.720 -5.323 211 HA SER 27 HA SER 27 26.915 18.659 -5.032 212 HB2 SER 27 HB2 SER 27 24.611 18.874 -5.743 213 HB3 SER 27 HB3 SER 27 25.507 17.875 -6.892 214 HG SER 27 HG SER 27 24.368 16.153 -6.313 215 H THR 28 H THR 28 25.181 19.798 -3.714 216 HA THR 28 HA THR 28 24.690 18.433 -1.093 217 HB THR 28 HB THR 28 24.126 20.660 -0.237 218 HG1 THR 28 HG1 THR 28 24.321 22.438 -1.499 219 HG21 THR 28 HG21 THR 28 26.346 21.685 -0.271 220 HG22 THR 28 HG22 THR 28 26.482 19.927 -0.066 221 HG23 THR 28 HG23 THR 28 26.829 20.669 -1.644 222 H GLU 29 H GLU 29 22.567 18.572 -0.143 223 HA GLU 29 HA GLU 29 20.486 17.846 -1.911 224 HB2 GLU 29 HB2 GLU 29 20.191 18.955 0.922 225 HB3 GLU 29 HB3 GLU 29 19.044 17.977 0.018 226 HG2 GLU 29 HG2 GLU 29 19.920 16.306 1.227 227 HG3 GLU 29 HG3 GLU 29 21.081 16.254 -0.088 228 H GLN 30 H GLN 30 21.268 21.085 -0.617 229 HA GLN 30 HA GLN 30 18.912 22.392 -1.670 230 HB2 GLN 30 HB2 GLN 30 21.670 23.475 -0.934 231 HB3 GLN 30 HB3 GLN 30 20.262 24.469 -1.344 232 HG2 GLN 30 HG2 GLN 30 19.006 23.465 0.564 233 HG3 GLN 30 HG3 GLN 30 20.432 22.531 1.013 234 HE21 GLN 30 HE21 GLN 30 19.632 23.955 3.065 235 HE22 GLN 30 HE22 GLN 30 20.551 25.441 3.244 236 H GLN 31 H GLN 31 22.184 21.763 -3.079 237 HA GLN 31 HA GLN 31 21.606 23.204 -5.536 238 HB2 GLN 31 HB2 GLN 31 23.682 21.118 -4.771 239 HB3 GLN 31 HB3 GLN 31 23.556 21.790 -6.402 240 HG2 GLN 31 HG2 GLN 31 23.911 24.064 -5.567 241 HG3 GLN 31 HG3 GLN 31 23.973 23.485 -3.900 242 HE21 GLN 31 HE22 GLN 31 25.811 22.113 -3.257 243 HE22 GLN 31 HE21 GLN 31 27.316 22.224 -4.185 244 H PHE 32 H PHE 32 21.183 19.749 -4.539 245 HA PHE 32 HA PHE 32 20.242 18.957 -7.131 246 HB2 PHE 32 HB2 PHE 32 21.136 17.414 -5.420 247 HB3 PHE 32 HB3 PHE 32 19.721 17.717 -4.421 248 HD1 PHE 32 HD1 PHE 32 19.120 17.345 -8.085 249 HD2 PHE 32 HD2 PHE 32 19.524 15.237 -4.338 250 HE1 PHE 32 HE1 PHE 32 17.939 15.413 -9.046 251 HE2 PHE 32 HE2 PHE 32 18.366 13.285 -5.337 252 HZ PHE 32 HZ PHE 32 17.528 13.383 -7.668 253 H LEU 33 H LEU 33 18.447 20.159 -4.241 254 HA LEU 33 HA LEU 33 15.853 20.108 -5.429 255 HB2 LEU 33 HB2 LEU 33 16.330 20.426 -3.058 256 HB3 LEU 33 HB3 LEU 33 17.079 21.981 -3.365 257 HG LEU 33 HG LEU 33 14.828 22.049 -2.343 258 HD11 LEU 33 HD11 LEU 33 15.715 23.997 -3.640 259 HD12 LEU 33 HD12 LEU 33 14.755 23.448 -5.037 260 HD13 LEU 33 HD13 LEU 33 13.954 23.906 -3.532 261 HD21 LEU 33 HD21 LEU 33 13.786 20.179 -3.550 262 HD22 LEU 33 HD22 LEU 33 12.821 21.663 -3.644 263 HD23 LEU 33 HD23 LEU 33 13.774 21.139 -5.045 264 H GLU 34 H GLU 34 18.289 22.740 -5.505 265 HA GLU 34 HA GLU 34 16.768 24.453 -7.172 266 HB2 GLU 34 HB2 GLU 34 18.766 25.114 -5.860 267 HB3 GLU 34 HB3 GLU 34 19.797 24.206 -6.967 268 HG2 GLU 34 HG2 GLU 34 19.137 25.679 -8.830 269 HG3 GLU 34 HG3 GLU 34 17.993 26.523 -7.786 270 H ALA 35 H ALA 35 19.083 21.891 -8.139 271 HA ALA 35 HA ALA 35 18.845 22.346 -10.956 272 HB1 ALA 35 HB1 ALA 35 19.878 20.118 -11.140 273 HB2 ALA 35 HB2 ALA 35 20.689 21.087 -9.894 274 HB3 ALA 35 HB3 ALA 35 19.552 19.810 -9.415 275 H MET 36 H MET 36 16.921 20.229 -8.743 276 HA MET 36 HA MET 36 15.266 19.127 -10.858 277 HB2 MET 36 HB2 MET 36 14.954 19.373 -7.844 278 HB3 MET 36 HB3 MET 36 13.732 18.610 -8.869 279 HG2 MET 36 HG2 MET 36 16.644 17.756 -8.833 280 HG3 MET 36 HG3 MET 36 15.425 17.025 -7.807 281 HE1 MET 36 HE1 MET 36 13.288 14.860 -10.128 282 HE2 MET 36 HE2 MET 36 13.937 15.073 -8.486 283 HE3 MET 36 HE3 MET 36 12.924 16.339 -9.212 284 H GLU 37 H GLU 37 14.777 21.986 -8.675 285 HA GLU 37 HA GLU 37 12.219 22.661 -9.828 286 HB2 GLU 37 HB2 GLU 37 14.311 24.261 -8.295 287 HB3 GLU 37 HB3 GLU 37 12.775 24.951 -8.809 288 HG2 GLU 37 HG2 GLU 37 13.094 22.530 -6.984 289 HG3 GLU 37 HG3 GLU 37 12.771 24.181 -6.450 290 H SER 38 H SER 38 15.557 23.677 -10.699 291 HA SER 38 HA SER 38 14.767 25.538 -12.734 292 HB2 SER 38 HB2 SER 38 16.956 25.482 -11.565 293 HB3 SER 38 HB3 SER 38 17.361 23.982 -12.420 294 HG SER 38 HG SER 38 18.195 25.940 -13.414 295 H THR 39 H THR 39 15.153 22.019 -12.825 296 HA THR 39 HA THR 39 14.897 22.001 -15.805 297 HB THR 39 HB THR 39 15.396 19.596 -15.647 298 HG1 THR 39 HG1 THR 39 16.067 20.046 -12.955 299 HG21 THR 39 HG21 THR 39 17.415 21.402 -14.247 300 HG22 THR 39 HG22 THR 39 17.755 19.801 -14.919 301 HG23 THR 39 HG23 THR 39 17.261 21.132 -15.983 302 H GLY 40 H GLY 40 12.734 22.032 -13.237 303 HA2 GLY 40 HA2 GLY 40 10.462 21.644 -13.207 304 HA3 GLY 40 HA3 GLY 40 10.522 21.118 -14.895 305 H GLY 41 H GLY 41 12.543 19.596 -12.417 306 HA2 GLY 41 HA2 GLY 41 12.328 17.628 -11.244 307 HA3 GLY 41 HA3 GLY 41 10.704 17.379 -11.888 308 H ARG 42 H ARG 42 12.964 17.858 -14.432 309 HA ARG 42 HA ARG 42 12.897 14.994 -15.176 310 HB2 ARG 42 HB2 ARG 42 13.808 17.586 -16.443 311 HB3 ARG 42 HB3 ARG 42 14.530 16.098 -17.032 312 HG2 ARG 42 HG2 ARG 42 11.513 16.383 -16.816 313 HG3 ARG 42 HG3 ARG 42 12.414 16.961 -18.224 314 HD2 ARG 42 HD2 ARG 42 13.360 14.657 -18.560 315 HD3 ARG 42 HD3 ARG 42 12.441 14.090 -17.183 316 HE ARG 42 HE ARG 42 10.490 14.073 -18.415 317 HH11 ARG 42 HH21 ARG 42 12.866 15.748 -20.405 318 HH12 ARG 42 HH22 ARG 42 11.853 15.655 -21.816 319 HH21 ARG 42 HH12 ARG 42 9.291 13.979 -20.268 320 HH22 ARG 42 HH11 ARG 42 9.893 14.686 -21.735 321 H VAL 43 H VAL 43 13.950 13.979 -13.493 322 HA VAL 43 HA VAL 43 16.287 14.846 -12.243 323 HB VAL 43 HB VAL 43 14.743 13.148 -11.387 324 HG11 VAL 43 HG11 VAL 43 16.210 11.122 -13.128 325 HG12 VAL 43 HG12 VAL 43 14.963 10.798 -11.909 326 HG13 VAL 43 HG13 VAL 43 14.534 11.671 -13.382 327 HG21 VAL 43 HG21 VAL 43 16.943 13.523 -10.338 328 HG22 VAL 43 HG22 VAL 43 16.385 11.850 -10.164 329 HG23 VAL 43 HG23 VAL 43 17.647 12.243 -11.348 330 H ARG 44 H ARG 44 16.179 12.844 -15.221 331 HA ARG 44 HA ARG 44 18.988 12.404 -15.400 332 HB2 ARG 44 HB2 ARG 44 18.636 11.862 -17.690 333 HB3 ARG 44 HB3 ARG 44 17.324 11.212 -16.724 334 HG2 ARG 44 HG2 ARG 44 15.872 13.156 -17.489 335 HG3 ARG 44 HG3 ARG 44 17.188 13.660 -18.553 336 HD2 ARG 44 HD2 ARG 44 15.815 10.948 -18.635 337 HD3 ARG 44 HD3 ARG 44 15.427 12.315 -19.697 338 HE ARG 44 HE ARG 44 18.149 11.962 -20.063 339 HH11 ARG 44 HH11 ARG 44 15.363 9.890 -20.563 340 HH12 ARG 44 HH12 ARG 44 16.156 8.976 -21.817 341 HH21 ARG 44 HH21 ARG 44 19.105 10.745 -21.658 342 HH22 ARG 44 HH22 ARG 44 18.213 9.467 -22.424 343 H ILE 45 H ILE 45 17.120 15.276 -16.341 344 HA ILE 45 HA ILE 45 19.456 16.595 -17.556 345 HB ILE 45 HB ILE 45 16.778 17.824 -16.814 346 HG12 ILE 45 HG12 ILE 45 17.734 16.663 -19.478 347 HG13 ILE 45 HG13 ILE 45 16.481 15.973 -18.450 348 HG21 ILE 45 HG21 ILE 45 17.459 19.637 -18.347 349 HG22 ILE 45 HG22 ILE 45 18.733 19.443 -17.154 350 HG23 ILE 45 HG23 ILE 45 18.945 18.769 -18.772 351 HD11 ILE 45 HD11 ILE 45 15.110 18.059 -18.779 352 HD12 ILE 45 HD12 ILE 45 16.301 18.572 -20.002 353 HD13 ILE 45 HD13 ILE 45 15.380 17.082 -20.232 354 H ALA 46 H ALA 46 17.775 16.592 -14.388 355 HA ALA 46 HA ALA 46 19.266 18.736 -13.246 356 HB1 ALA 46 HB1 ALA 46 18.441 17.865 -11.106 357 HB2 ALA 46 HB2 ALA 46 17.151 17.794 -12.321 358 HB3 ALA 46 HB3 ALA 46 18.024 16.318 -11.858 359 H ILE 47 H ILE 47 19.928 15.152 -13.130 360 HA ILE 47 HA ILE 47 22.445 15.552 -11.781 361 HB ILE 47 HB ILE 47 22.940 13.253 -12.145 362 HG12 ILE 47 HG12 ILE 47 20.585 13.146 -14.054 363 HG13 ILE 47 HG13 ILE 47 22.286 12.943 -14.479 364 HG21 ILE 47 HG21 ILE 47 21.122 12.312 -10.919 365 HG22 ILE 47 HG22 ILE 47 21.235 14.015 -10.442 366 HG23 ILE 47 HG23 ILE 47 19.961 13.495 -11.551 367 HD11 ILE 47 HD11 ILE 47 22.346 10.889 -13.014 368 HD12 ILE 47 HD12 ILE 47 20.581 11.046 -12.814 369 HD13 ILE 47 HD13 ILE 47 21.272 10.777 -14.421 370 H ALA 48 H ALA 48 21.651 15.289 -15.297 371 HA ALA 48 HA ALA 48 24.305 15.540 -16.252 372 HB1 ALA 48 HB1 ALA 48 23.188 16.464 -18.277 373 HB2 ALA 48 HB2 ALA 48 22.362 15.018 -17.660 374 HB3 ALA 48 HB3 ALA 48 21.677 16.627 -17.350 375 H LYS 49 H LYS 49 22.032 18.161 -15.242 376 HA LYS 49 HA LYS 49 23.774 20.329 -15.918 377 HB2 LYS 49 HB2 LYS 49 21.227 20.333 -15.530 378 HB3 LYS 49 HB3 LYS 49 21.558 20.248 -13.811 379 HG2 LYS 49 HG2 LYS 49 21.113 22.529 -14.300 380 HG3 LYS 49 HG3 LYS 49 22.845 22.428 -14.028 381 HD2 LYS 49 HD2 LYS 49 22.444 23.887 -15.883 382 HD3 LYS 49 HD3 LYS 49 23.195 22.421 -16.524 383 HE2 LYS 49 HE2 LYS 49 20.971 21.590 -17.259 384 HE3 LYS 49 HE3 LYS 49 20.195 23.019 -16.560 385 HZ1 LYS 49 HZ1 LYS 49 22.161 23.074 -18.809 386 HZ2 LYS 49 HZ2 LYS 49 20.552 23.309 -18.945 387 HZ3 LYS 49 HZ3 LYS 49 21.460 24.399 -18.145 388 H LEU 50 H LEU 50 23.330 18.536 -12.856 389 HA LEU 50 HA LEU 50 25.228 20.106 -11.325 390 HB2 LEU 50 HB2 LEU 50 24.177 17.258 -11.033 391 HB3 LEU 50 HB3 LEU 50 25.214 18.037 -9.843 392 HG LEU 50 HG LEU 50 22.514 19.190 -10.633 393 HD11 LEU 50 HD11 LEU 50 23.218 17.332 -8.326 394 HD12 LEU 50 HD12 LEU 50 21.671 18.174 -8.554 395 HD13 LEU 50 HD13 LEU 50 22.168 16.952 -9.718 396 HD21 LEU 50 HD21 LEU 50 24.326 19.650 -8.226 397 HD22 LEU 50 HD22 LEU 50 24.026 20.800 -9.553 398 HD23 LEU 50 HD23 LEU 50 22.710 20.348 -8.464 399 H LEU 51 H LEU 51 25.635 17.144 -13.336 400 HA LEU 51 HA LEU 51 28.461 16.878 -12.732 401 HB2 LEU 51 HB2 LEU 51 26.671 15.790 -14.938 402 HB3 LEU 51 HB3 LEU 51 28.372 15.378 -14.803 403 HG LEU 51 HG LEU 51 26.383 14.856 -12.550 404 HD11 LEU 51 HD11 LEU 51 27.377 12.969 -14.727 405 HD12 LEU 51 HD12 LEU 51 26.384 12.520 -13.323 406 HD13 LEU 51 HD13 LEU 51 25.720 13.596 -14.564 407 HD21 LEU 51 HD21 LEU 51 28.711 14.887 -11.785 408 HD22 LEU 51 HD22 LEU 51 28.102 13.229 -11.807 409 HD23 LEU 51 HD23 LEU 51 29.179 13.789 -13.101 410 H SER 52 H SER 52 26.676 18.681 -15.193 411 HA SER 52 HA SER 52 29.102 19.485 -16.632 412 HB2 SER 52 HB2 SER 52 26.231 20.366 -17.055 413 HB3 SER 52 HB3 SER 52 27.594 20.643 -18.143 414 HG SER 52 HG SER 52 26.373 18.178 -17.457 415 H LYS 53 H LYS 53 28.573 20.408 -13.743 416 HA LYS 53 HA LYS 53 28.274 23.300 -13.916 417 HB2 LYS 53 HB2 LYS 53 27.513 21.798 -12.008 418 HB3 LYS 53 HB3 LYS 53 29.208 21.666 -11.526 419 HG2 LYS 53 HG2 LYS 53 29.185 24.273 -11.506 420 HG3 LYS 53 HG3 LYS 53 27.425 24.133 -11.649 421 HD2 LYS 53 HD2 LYS 53 27.351 22.850 -9.526 422 HD3 LYS 53 HD3 LYS 53 29.123 22.935 -9.417 423 HE2 LYS 53 HE2 LYS 53 28.950 25.455 -9.463 424 HE3 LYS 53 HE3 LYS 53 27.186 25.300 -9.386 425 HZ1 LYS 53 HZ1 LYS 53 29.098 24.323 -7.310 426 HZ2 LYS 53 HZ2 LYS 53 28.144 25.643 -7.179 427 HZ3 LYS 53 HZ3 LYS 53 27.463 24.154 -7.219 428 H GLN 54 H GLN 54 29.938 23.486 -15.569 429 HA GLN 54 HA GLN 54 32.593 24.207 -14.439 430 HB2 GLN 54 HB2 GLN 54 33.790 23.014 -16.173 431 HB3 GLN 54 HB3 GLN 54 32.773 21.892 -15.276 432 HG2 GLN 54 HG2 GLN 54 31.080 21.990 -17.137 433 HG3 GLN 54 HG3 GLN 54 32.174 23.045 -18.042 434 HE21 GLN 54 HE22 GLN 54 34.376 22.099 -18.644 435 HE22 GLN 54 HE21 GLN 54 34.449 20.357 -18.865 436 H THR 55 H THR 55 33.963 25.300 -16.250 437 HA THR 55 HA THR 55 32.278 27.050 -17.991 438 HB THR 55 HB THR 55 32.790 28.342 -16.014 439 HG1 THR 55 HG1 THR 55 33.532 30.070 -17.117 440 HG21 THR 55 HG21 THR 55 34.902 27.294 -15.251 441 HG22 THR 55 HG22 THR 55 35.746 27.945 -16.676 442 HG23 THR 55 HG23 THR 55 35.073 29.041 -15.448 443 H SER 56 H SER 56 33.223 27.864 -19.851 444 HA SER 56 HA SER 56 35.504 26.355 -20.987 445 HB2 SER 56 HB2 SER 56 34.853 27.542 -23.074 446 HB3 SER 56 HB3 SER 56 33.546 26.573 -22.363 447 HG SER 56 HG SER 56 32.697 28.582 -22.892 448 H GLY 57 H GLY 57 35.140 29.179 -19.162 449 HA2 GLY 57 HA2 GLY 57 36.932 31.002 -20.455 450 HA3 GLY 57 HA3 GLY 57 36.356 31.073 -18.791 451 H GLY 58 H GLY 58 38.357 28.505 -20.286 452 HA2 GLY 58 HA2 GLY 58 40.202 28.409 -18.074 453 HA3 GLY 58 HA3 GLY 58 40.318 27.521 -19.592 454 H SER 59 H SER 59 40.195 30.527 -20.756 455 HA SER 59 HA SER 59 43.144 30.982 -20.645 456 HB2 SER 59 HB2 SER 59 41.216 31.657 -22.889 457 HB3 SER 59 HB3 SER 59 42.970 31.902 -22.897 458 HG SER 59 HG SER 59 43.245 29.644 -22.789 459 H GLY 60 H GLY 60 41.334 32.063 -18.657 460 HA2 GLY 60 HA2 GLY 60 41.208 34.003 -17.418 461 HA3 GLY 60 HA3 GLY 60 42.439 34.683 -18.472 462 H GLY 61 H GLY 61 41.862 36.313 -19.804 463 HA2 GLY 61 HA2 GLY 61 39.182 37.424 -19.882 464 HA3 GLY 61 HA3 GLY 61 40.592 37.967 -20.793 465 H SER 62 H SER 62 40.500 34.820 -21.603 466 HA SER 62 HA SER 62 38.433 35.040 -23.754 467 HB2 SER 62 HB2 SER 62 40.769 35.456 -24.577 468 HB3 SER 62 HB3 SER 62 41.182 33.798 -24.096 469 HG SER 62 HG SER 62 40.507 34.022 -26.333 470 H LYS 63 H LYS 63 38.024 32.837 -24.744 471 HA LYS 63 HA LYS 63 37.866 30.696 -22.674 472 HB2 LYS 63 HB2 LYS 63 35.520 30.369 -22.975 473 HB3 LYS 63 HB3 LYS 63 35.818 32.045 -22.580 474 HG2 LYS 63 HG2 LYS 63 34.273 32.336 -24.218 475 HG3 LYS 63 HG3 LYS 63 35.725 32.406 -25.217 476 HD2 LYS 63 HD2 LYS 63 35.361 29.976 -25.819 477 HD3 LYS 63 HD3 LYS 63 33.964 29.950 -24.748 478 HE2 LYS 63 HE2 LYS 63 33.015 30.207 -26.853 479 HE3 LYS 63 HE3 LYS 63 32.979 31.839 -26.174 480 HZ1 LYS 63 HZ1 LYS 63 34.944 30.782 -28.157 481 HZ2 LYS 63 HZ2 LYS 63 33.771 31.913 -28.438 482 HZ3 LYS 63 HZ3 LYS 63 35.048 32.287 -27.494 483 H LEU 64 H LEU 64 37.412 28.610 -23.389 484 HA LEU 64 HA LEU 64 38.887 27.922 -25.817 485 HB2 LEU 64 HB2 LEU 64 37.522 26.209 -23.702 486 HB3 LEU 64 HB3 LEU 64 38.582 25.600 -24.966 487 HG LEU 64 HG LEU 64 39.443 27.525 -22.747 488 HD11 LEU 64 HD11 LEU 64 39.963 24.547 -23.103 489 HD12 LEU 64 HD12 LEU 64 40.623 25.586 -21.819 490 HD13 LEU 64 HD13 LEU 64 38.882 25.283 -21.899 491 HD21 LEU 64 HD21 LEU 64 40.857 27.804 -24.732 492 HD22 LEU 64 HD22 LEU 64 41.741 26.937 -23.482 493 HD23 LEU 64 HD23 LEU 64 41.070 26.039 -24.861 494 H GLY 65 H GLY 65 38.141 27.113 -27.698 495 HA2 GLY 65 HA2 GLY 65 36.744 26.242 -29.305 496 HA3 GLY 65 HA3 GLY 65 35.567 25.861 -28.057 497 H GLY 66 H GLY 66 34.297 26.422 -30.096 498 HA2 GLY 66 HA2 GLY 66 33.915 29.140 -30.938 499 HA3 GLY 66 HA3 GLY 66 32.854 27.780 -31.280 500 H SER 67 H SER 67 32.075 30.479 -30.705 501 HA SER 67 HA SER 67 31.042 30.644 -27.975 502 HB2 SER 67 HB2 SER 67 30.558 32.421 -30.385 503 HB3 SER 67 HB3 SER 67 30.107 32.782 -28.705 504 HG SER 67 HG SER 67 32.139 33.720 -29.322 505 H GLY 68 H GLY 68 28.945 30.552 -27.269 506 HA2 GLY 68 HA2 GLY 68 27.116 28.788 -28.692 507 HA3 GLY 68 HA3 GLY 68 26.887 29.495 -27.099 508 H GLY 69 H GLY 69 24.731 29.283 -28.606 509 HA2 GLY 69 HA2 GLY 69 23.634 31.902 -28.701 510 HA3 GLY 69 HA3 GLY 69 23.982 31.393 -30.357 511 H SER 70 H SER 70 21.409 31.949 -29.568 512 HA SER 70 HA SER 70 20.026 29.406 -30.075 513 HB2 SER 70 HB2 SER 70 20.193 29.553 -27.572 514 HB3 SER 70 HB3 SER 70 19.276 31.071 -27.639 515 HG SER 70 HG SER 70 17.938 29.206 -27.262 516 H ARG 71 H ARG 71 17.759 29.709 -30.602 517 HA ARG 71 HA ARG 71 17.288 32.016 -32.319 518 HB2 ARG 71 HB2 ARG 71 16.613 29.644 -32.779 519 HB3 ARG 71 HB3 ARG 71 15.399 29.764 -31.499 520 HG2 ARG 71 HG2 ARG 71 14.240 31.559 -32.739 521 HG3 ARG 71 HG3 ARG 71 15.496 31.540 -33.986 522 HD2 ARG 71 HD2 ARG 71 13.662 29.207 -33.276 523 HD3 ARG 71 HD3 ARG 71 13.384 30.314 -34.610 524 HE ARG 71 HE ARG 71 15.325 28.119 -34.479 525 HH11 ARG 71 HH11 ARG 71 14.512 31.024 -36.279 526 HH12 ARG 71 HH12 ARG 71 15.424 30.519 -37.674 527 HH21 ARG 71 HH21 ARG 71 16.475 27.549 -36.286 528 HH22 ARG 71 HH22 ARG 71 16.502 28.598 -37.673 529 H LYS 72 H LYS 72 16.378 31.224 -29.048 530 HA LYS 72 HA LYS 72 15.055 33.861 -28.719 531 HB2 LYS 72 HB2 LYS 72 13.335 32.011 -29.172 532 HB3 LYS 72 HB3 LYS 72 13.860 31.255 -27.676 533 HG2 LYS 72 HG2 LYS 72 11.847 32.435 -27.248 534 HG3 LYS 72 HG3 LYS 72 13.131 33.324 -26.432 535 HD2 LYS 72 HD2 LYS 72 13.166 34.984 -28.288 536 HD3 LYS 72 HD3 LYS 72 11.918 34.081 -29.141 537 HE2 LYS 72 HE2 LYS 72 11.583 35.319 -26.361 538 HE3 LYS 72 HE3 LYS 72 11.149 36.129 -27.865 539 HZ1 LYS 72 HZ1 LYS 72 9.554 34.329 -28.318 540 HZ2 LYS 72 HZ2 LYS 72 9.911 33.601 -26.893 541 HZ3 LYS 72 HZ3 LYS 72 9.210 35.070 -26.910 542 H ASP 73 H ASP 73 15.249 34.765 -26.657 543 HA ASP 73 HA ASP 73 17.628 34.017 -25.254 544 HB2 ASP 73 HB2 ASP 73 16.769 36.328 -25.614 545 HB3 ASP 73 HB3 ASP 73 15.461 35.998 -24.472 546 H LEU 74 H LEU 74 14.277 33.227 -24.631 547 HA LEU 74 HA LEU 74 15.005 31.673 -22.198 548 HB2 LEU 74 HB2 LEU 74 12.629 33.554 -22.523 549 HB3 LEU 74 HB3 LEU 74 12.779 32.385 -21.219 550 HG LEU 74 HG LEU 74 14.715 34.698 -21.680 551 HD11 LEU 74 HD11 LEU 74 13.621 35.716 -19.726 552 HD12 LEU 74 HD12 LEU 74 12.464 35.472 -21.043 553 HD13 LEU 74 HD13 LEU 74 12.465 34.366 -19.649 554 HD21 LEU 74 HD21 LEU 74 14.395 32.756 -19.339 555 HD22 LEU 74 HD22 LEU 74 15.779 32.836 -20.452 556 HD23 LEU 74 HD23 LEU 74 15.455 34.182 -19.362 557 H SER 75 H SER 75 13.577 29.939 -21.705 558 HA SER 75 HA SER 75 11.517 29.138 -23.639 559 HB2 SER 75 HB2 SER 75 13.712 28.225 -24.517 560 HB3 SER 75 HB3 SER 75 13.819 27.244 -23.042 561 HG SER 75 HG SER 75 12.812 26.131 -24.827 562 H VAL 76 H VAL 76 10.342 27.181 -22.875 563 HA VAL 76 HA VAL 76 9.734 27.504 -20.016 564 HB VAL 76 HB VAL 76 7.787 26.079 -20.441 565 HG11 VAL 76 HG11 VAL 76 6.551 27.655 -21.811 566 HG12 VAL 76 HG12 VAL 76 7.663 28.518 -20.738 567 HG13 VAL 76 HG13 VAL 76 8.055 28.337 -22.463 568 HG21 VAL 76 HG21 VAL 76 8.656 24.631 -22.240 569 HG22 VAL 76 HG22 VAL 76 7.143 25.418 -22.703 570 HG23 VAL 76 HG23 VAL 76 8.682 26.016 -23.357 571 H LYS 77 H LYS 77 9.293 25.719 -18.604 572 HA LYS 77 HA LYS 77 11.380 23.608 -18.685 573 HB2 LYS 77 HB2 LYS 77 9.366 24.346 -16.519 574 HB3 LYS 77 HB3 LYS 77 10.636 23.121 -16.374 575 HG2 LYS 77 HG2 LYS 77 12.350 24.912 -16.867 576 HG3 LYS 77 HG3 LYS 77 11.062 26.115 -16.782 577 HD2 LYS 77 HD2 LYS 77 11.955 24.281 -14.523 578 HD3 LYS 77 HD3 LYS 77 12.347 25.994 -14.705 579 HE2 LYS 77 HE2 LYS 77 9.849 26.493 -14.616 580 HE3 LYS 77 HE3 LYS 77 9.584 24.792 -14.207 581 HZ1 LYS 77 HZ1 LYS 77 11.120 25.168 -12.256 582 HZ2 LYS 77 HZ2 LYS 77 11.134 26.767 -12.604 583 HZ3 LYS 77 HZ3 LYS 77 9.732 26.052 -12.174 584 H GLY 78 H GLY 78 10.801 21.370 -18.126 585 HA2 GLY 78 HA2 GLY 78 9.029 20.279 -20.067 586 HA3 GLY 78 HA3 GLY 78 9.818 19.377 -18.777 587 H MET 79 H MET 79 7.150 19.000 -19.878 588 HA MET 79 HA MET 79 5.202 20.011 -17.948 589 HB2 MET 79 HB2 MET 79 4.946 17.986 -20.206 590 HB3 MET 79 HB3 MET 79 3.602 18.621 -19.267 591 HG2 MET 79 HG2 MET 79 5.466 20.235 -21.044 592 HG3 MET 79 HG3 MET 79 3.816 19.774 -21.417 593 HE1 MET 79 HE1 MET 79 2.160 20.388 -18.725 594 HE2 MET 79 HE2 MET 79 1.662 22.052 -19.091 595 HE3 MET 79 HE3 MET 79 1.667 20.830 -20.379 596 H LEU 80 H LEU 80 7.235 17.249 -17.980 597 HA LEU 80 HA LEU 80 7.398 15.371 -16.774 598 HB2 LEU 80 HB2 LEU 80 7.701 17.485 -15.223 599 HB3 LEU 80 HB3 LEU 80 6.243 16.901 -14.443 600 HG LEU 80 HG LEU 80 7.499 14.608 -14.280 601 HD11 LEU 80 HD11 LEU 80 9.986 14.870 -14.197 602 HD12 LEU 80 HD12 LEU 80 9.348 15.062 -15.822 603 HD13 LEU 80 HD13 LEU 80 9.819 16.496 -14.881 604 HD21 LEU 80 HD21 LEU 80 7.082 16.046 -12.322 605 HD22 LEU 80 HD22 LEU 80 8.694 15.305 -12.228 606 HD23 LEU 80 HD23 LEU 80 8.516 17.006 -12.709 607 H TYR 81 H TYR 81 5.329 14.871 -18.282 608 HA TYR 81 HA TYR 81 2.932 14.071 -16.909 609 HB2 TYR 81 HB2 TYR 81 3.114 14.560 -19.328 610 HB3 TYR 81 HB3 TYR 81 4.125 13.134 -19.545 611 HD1 TYR 81 HD1 TYR 81 0.712 14.252 -18.464 612 HD2 TYR 81 HD2 TYR 81 3.131 11.002 -19.952 613 HE1 TYR 81 HE1 TYR 81 -1.342 12.880 -18.821 614 HE2 TYR 81 HE2 TYR 81 1.083 9.637 -20.316 615 HH TYR 81 HH TYR 81 -1.215 9.551 -20.158 616 H ASP 82 H ASP 82 6.017 12.440 -17.378 617 HA ASP 82 HA ASP 82 5.280 9.739 -16.867 618 HB2 ASP 82 HB2 ASP 82 7.393 10.177 -17.826 619 HB3 ASP 82 HB3 ASP 82 7.820 11.352 -16.583 620 H SER 83 H SER 83 4.881 8.563 -15.045 621 HA SER 83 HA SER 83 4.178 9.947 -12.636 622 HB2 SER 83 HB2 SER 83 4.404 6.958 -13.122 623 HB3 SER 83 HB3 SER 83 3.536 7.754 -11.800 624 HG SER 83 HG SER 83 2.141 7.181 -13.564 625 H ASP 84 H ASP 84 7.047 7.914 -13.410 626 HA ASP 84 HA ASP 84 7.851 7.623 -10.653 627 HB2 ASP 84 HB2 ASP 84 8.614 6.075 -12.376 628 HB3 ASP 84 HB3 ASP 84 9.471 7.380 -13.205 629 H SER 85 H SER 85 9.063 9.855 -13.236 630 HA SER 85 HA SER 85 10.836 11.273 -11.513 631 HB2 SER 85 HB2 SER 85 10.771 13.054 -13.249 632 HB3 SER 85 HB3 SER 85 11.124 11.438 -13.870 633 HG SER 85 HG SER 85 9.076 11.229 -14.618 634 H GLN 86 H GLN 86 7.323 11.775 -12.031 635 HA GLN 86 HA GLN 86 7.130 14.168 -10.414 636 HB2 GLN 86 HB2 GLN 86 5.170 11.941 -11.094 637 HB3 GLN 86 HB3 GLN 86 4.745 13.278 -10.023 638 HG2 GLN 86 HG2 GLN 86 5.110 14.920 -11.752 639 HG3 GLN 86 HG3 GLN 86 5.741 13.690 -12.859 640 HE21 GLN 86 HE21 GLN 86 4.256 12.104 -13.709 641 HE22 GLN 86 HE22 GLN 86 2.516 12.401 -13.720 642 H GLN 87 H GLN 87 6.989 10.655 -9.524 643 HA GLN 87 HA GLN 87 6.633 11.195 -6.710 644 HB2 GLN 87 HB2 GLN 87 7.580 8.750 -8.242 645 HB3 GLN 87 HB3 GLN 87 7.451 8.771 -6.494 646 HG2 GLN 87 HG2 GLN 87 5.117 9.378 -8.373 647 HG3 GLN 87 HG3 GLN 87 5.462 7.793 -7.690 648 HE21 GLN 87 HE22 GLN 87 2.971 8.786 -7.165 649 HE22 GLN 87 HE21 GLN 87 2.897 9.304 -5.486 650 H ILE 88 H ILE 88 9.641 10.680 -8.673 651 HA ILE 88 HA ILE 88 11.437 10.943 -6.456 652 HB ILE 88 HB ILE 88 11.961 11.927 -9.289 653 HG12 ILE 88 HG12 ILE 88 11.464 9.662 -9.674 654 HG13 ILE 88 HG13 ILE 88 13.192 9.767 -9.631 655 HG21 ILE 88 HG21 ILE 88 14.349 11.535 -8.684 656 HG22 ILE 88 HG22 ILE 88 13.597 12.758 -7.663 657 HG23 ILE 88 HG23 ILE 88 13.847 11.118 -7.032 658 HD11 ILE 88 HD11 ILE 88 12.393 7.748 -8.525 659 HD12 ILE 88 HD12 ILE 88 13.202 8.793 -7.341 660 HD13 ILE 88 HD13 ILE 88 11.423 8.691 -7.390 661 H LEU 89 H LEU 89 10.121 13.535 -8.650 662 HA LEU 89 HA LEU 89 11.399 15.659 -7.266 663 HB2 LEU 89 HB2 LEU 89 10.369 15.924 -9.506 664 HB3 LEU 89 HB3 LEU 89 8.782 15.529 -8.858 665 HG LEU 89 HG LEU 89 8.836 17.642 -7.485 666 HD11 LEU 89 HD11 LEU 89 10.464 19.392 -8.051 667 HD12 LEU 89 HD12 LEU 89 11.293 17.998 -7.366 668 HD13 LEU 89 HD13 LEU 89 11.326 18.277 -9.127 669 HD21 LEU 89 HD21 LEU 89 8.390 19.152 -9.325 670 HD22 LEU 89 HD22 LEU 89 9.194 18.057 -10.467 671 HD23 LEU 89 HD23 LEU 89 7.698 17.555 -9.656 672 H ASN 90 H ASN 90 8.119 14.238 -6.666 673 HA ASN 90 HA ASN 90 7.468 16.024 -4.550 674 HB2 ASN 90 HB2 ASN 90 5.846 14.562 -5.746 675 HB3 ASN 90 HB3 ASN 90 6.574 13.139 -5.006 676 HD21 ASN 90 HD22 ASN 90 4.587 16.030 -4.369 677 HD22 ASN 90 HD21 ASN 90 4.072 15.482 -2.783 678 H ARG 91 H ARG 91 9.115 12.779 -4.369 679 HA ARG 91 HA ARG 91 9.397 12.870 -1.494 680 HB2 ARG 91 HB2 ARG 91 9.873 10.940 -3.424 681 HB3 ARG 91 HB3 ARG 91 11.507 11.470 -3.097 682 HG2 ARG 91 HG2 ARG 91 11.430 9.965 -1.385 683 HG3 ARG 91 HG3 ARG 91 10.553 11.208 -0.514 684 HD2 ARG 91 HD2 ARG 91 9.475 8.783 -1.984 685 HD3 ARG 91 HD3 ARG 91 9.289 9.201 -0.284 686 HE ARG 91 HE ARG 91 7.765 11.054 -0.954 687 HH11 ARG 91 HH11 ARG 91 8.025 8.356 -3.246 688 HH12 ARG 91 HH12 ARG 91 6.594 8.922 -4.090 689 HH21 ARG 91 HH21 ARG 91 6.008 11.662 -2.242 690 HH22 ARG 91 HH22 ARG 91 5.542 10.586 -3.545 691 H LEU 92 H LEU 92 11.522 14.022 -4.107 692 HA LEU 92 HA LEU 92 13.713 14.770 -2.397 693 HB2 LEU 92 HB2 LEU 92 13.825 14.225 -4.793 694 HB3 LEU 92 HB3 LEU 92 12.842 15.613 -5.203 695 HG LEU 92 HG LEU 92 15.216 15.780 -5.736 696 HD11 LEU 92 HD11 LEU 92 14.533 17.955 -3.761 697 HD12 LEU 92 HD12 LEU 92 15.558 18.018 -5.203 698 HD13 LEU 92 HD13 LEU 92 13.806 17.811 -5.385 699 HD21 LEU 92 HD21 LEU 92 16.199 14.655 -3.769 700 HD22 LEU 92 HD22 LEU 92 16.893 16.269 -4.012 701 HD23 LEU 92 HD23 LEU 92 15.695 16.012 -2.733 702 H ARG 93 H ARG 93 11.082 16.754 -3.860 703 HA ARG 93 HA ARG 93 11.849 19.221 -2.622 704 HB2 ARG 93 HB2 ARG 93 10.349 19.012 -4.579 705 HB3 ARG 93 HB3 ARG 93 9.108 18.259 -3.563 706 HG2 ARG 93 HG2 ARG 93 8.911 20.339 -2.242 707 HG3 ARG 93 HG3 ARG 93 10.211 21.089 -3.192 708 HD2 ARG 93 HD2 ARG 93 8.861 20.963 -5.229 709 HD3 ARG 93 HD3 ARG 93 7.617 20.033 -4.398 710 HE ARG 93 HE ARG 93 7.030 21.943 -3.060 711 HH11 ARG 93 HH11 ARG 93 9.129 22.860 -5.774 712 HH12 ARG 93 HH12 ARG 93 8.475 24.474 -5.786 713 HH21 ARG 93 HH21 ARG 93 6.356 24.034 -3.126 714 HH22 ARG 93 HH22 ARG 93 7.006 25.133 -4.306 715 H GLU 94 H GLU 94 9.567 16.670 -1.463 716 HA GLU 94 HA GLU 94 8.984 18.107 0.969 717 HB2 GLU 94 HB2 GLU 94 8.694 15.170 0.248 718 HB3 GLU 94 HB3 GLU 94 8.081 15.898 1.734 719 HG2 GLU 94 HG2 GLU 94 7.275 16.843 -1.055 720 HG3 GLU 94 HG3 GLU 94 6.369 15.674 -0.100 721 H ARG 95 H ARG 95 11.464 15.575 0.260 722 HA ARG 95 HA ARG 95 12.542 15.366 2.876 723 HB2 ARG 95 HB2 ARG 95 13.077 13.912 0.927 724 HB3 ARG 95 HB3 ARG 95 13.987 15.236 0.187 725 HG2 ARG 95 HG2 ARG 95 15.540 15.165 2.217 726 HG3 ARG 95 HG3 ARG 95 14.648 13.733 2.756 727 HD2 ARG 95 HD2 ARG 95 15.142 12.836 0.328 728 HD3 ARG 95 HD3 ARG 95 16.386 14.082 0.278 729 HE ARG 95 HE ARG 95 16.374 11.551 1.754 730 HH11 ARG 95 HH12 ARG 95 17.976 14.700 1.905 731 HH12 ARG 95 HH11 ARG 95 19.305 14.014 2.795 732 HH21 ARG 95 HH21 ARG 95 17.939 10.824 2.753 733 HH22 ARG 95 HH22 ARG 95 19.316 11.798 3.289 734 H VAL 96 H VAL 96 13.374 17.744 0.305 735 HA VAL 96 HA VAL 96 15.415 18.962 2.046 736 HB VAL 96 HB VAL 96 14.543 19.733 -0.757 737 HG11 VAL 96 HG11 VAL 96 16.805 20.854 -0.796 738 HG12 VAL 96 HG12 VAL 96 15.662 21.630 0.305 739 HG13 VAL 96 HG13 VAL 96 16.941 20.565 0.947 740 HG21 VAL 96 HG21 VAL 96 16.704 18.595 -1.375 741 HG22 VAL 96 HG22 VAL 96 16.848 18.040 0.312 742 HG23 VAL 96 HG23 VAL 96 15.526 17.466 -0.703 743 H SER 97 H SER 97 12.188 19.946 0.843 744 HA SER 97 HA SER 97 12.417 22.472 2.429 745 HB2 SER 97 HB2 SER 97 10.719 21.886 -0.014 746 HB3 SER 97 HB3 SER 97 10.875 23.436 0.833 747 HG SER 97 HG SER 97 12.279 23.448 -0.921 748 H GLY 98 H GLY 98 10.674 19.502 2.484 749 HA2 GLY 98 HA2 GLY 98 8.411 20.671 4.057 750 HA3 GLY 98 HA3 GLY 98 8.471 19.068 3.333 751 H SER 99 H SER 99 7.792 18.578 5.633 752 HA SER 99 HA SER 99 9.824 18.715 7.721 753 HB2 SER 99 HB2 SER 99 7.158 17.269 7.677 754 HB3 SER 99 HB3 SER 99 8.156 17.602 9.106 755 HG SER 99 HG SER 99 6.477 19.167 8.835 756 H THR 100 H THR 100 8.962 16.253 5.356 757 HA THR 100 HA THR 100 11.042 14.432 6.292 758 HB THR 100 HB THR 100 9.291 13.847 7.892 759 HG1 THR 100 HG1 THR 100 10.487 12.121 7.193 760 HG21 THR 100 HG21 THR 100 7.188 12.815 7.215 761 HG22 THR 100 HG22 THR 100 7.246 14.494 6.660 762 HG23 THR 100 HG23 THR 100 7.518 13.162 5.511 763 H ALA 101 H ALA 101 11.368 12.582 4.903 764 HA ALA 101 HA ALA 101 10.564 12.928 2.095 765 HB1 ALA 101 HB1 ALA 101 12.075 11.026 1.728 766 HB2 ALA 101 HB2 ALA 101 12.859 12.233 2.764 767 HB3 ALA 101 HB3 ALA 101 12.201 10.753 3.480 768 H GLN 102 H GLN 102 9.037 11.498 4.777 769 HA GLN 102 HA GLN 102 8.013 9.092 3.558 770 HB2 GLN 102 HB2 GLN 102 7.210 10.604 6.061 771 HB3 GLN 102 HB3 GLN 102 6.612 9.000 5.632 772 HG2 GLN 102 HG2 GLN 102 8.804 8.018 5.798 773 HG3 GLN 102 HG3 GLN 102 9.575 9.591 6.034 774 HE21 GLN 102 HE22 GLN 102 8.820 10.868 7.995 775 HE22 GLN 102 HE21 GLN 102 8.446 9.936 9.449 776 H SER 103 H SER 103 7.410 11.269 1.794 777 HA SER 103 HA SER 103 4.530 11.819 2.002 778 HB2 SER 103 HB2 SER 103 4.926 13.136 -0.045 779 HB3 SER 103 HB3 SER 103 5.993 13.585 1.294 780 HG SER 103 HG SER 103 7.140 13.389 -0.666 781 H ALA 104 H ALA 104 6.144 9.117 1.021 782 HA ALA 104 HA ALA 104 4.870 8.416 -1.463 783 HB1 ALA 104 HB1 ALA 104 7.004 7.412 -0.692 784 HB2 ALA 104 HB2 ALA 104 6.146 6.661 0.679 785 HB3 ALA 104 HB3 ALA 104 5.763 6.175 -0.981 Start of MODEL 10 1 H1 SER 1 H1 SER 1 16.381 -17.911 10.548 2 H2 SER 1 H2 SER 1 17.815 -17.143 10.380 3 H3 SER 1 H3 SER 1 16.587 -16.419 11.193 4 HA SER 1 HA SER 1 16.814 -15.419 9.035 5 HB2 SER 1 HB2 SER 1 16.319 -18.224 7.948 6 HB3 SER 1 HB3 SER 1 16.506 -16.737 6.996 7 HG SER 1 HG SER 1 18.485 -17.897 7.152 8 H VAL 2 H VAL 2 14.998 -14.705 7.747 9 HA VAL 2 HA VAL 2 12.309 -15.756 8.501 10 HB VAL 2 HB VAL 2 11.425 -13.466 8.630 11 HG11 VAL 2 HG11 VAL 2 12.163 -12.959 10.878 12 HG12 VAL 2 HG12 VAL 2 12.009 -14.712 10.684 13 HG13 VAL 2 HG13 VAL 2 13.619 -13.953 10.676 14 HG21 VAL 2 HG21 VAL 2 12.878 -11.538 8.983 15 HG22 VAL 2 HG22 VAL 2 14.325 -12.528 8.715 16 HG23 VAL 2 HG23 VAL 2 13.184 -12.230 7.386 17 H SER 3 H SER 3 10.597 -15.190 7.030 18 HA SER 3 HA SER 3 11.336 -14.244 4.332 19 HB2 SER 3 HB2 SER 3 11.767 -16.742 4.430 20 HB3 SER 3 HB3 SER 3 10.027 -16.963 4.704 21 HG SER 3 HG SER 3 10.653 -17.089 2.454 22 H ILE 4 H ILE 4 9.369 -14.178 2.911 23 HA ILE 4 HA ILE 4 6.852 -13.545 4.347 24 HB ILE 4 HB ILE 4 6.540 -11.470 3.237 25 HG12 ILE 4 HG12 ILE 4 7.712 -11.711 1.136 26 HG13 ILE 4 HG13 ILE 4 8.156 -10.237 1.969 27 HG21 ILE 4 HG21 ILE 4 9.208 -11.446 4.687 28 HG22 ILE 4 HG22 ILE 4 8.122 -10.065 4.432 29 HG23 ILE 4 HG23 ILE 4 7.595 -11.433 5.424 30 HD11 ILE 4 HD11 ILE 4 10.109 -11.144 0.917 31 HD12 ILE 4 HD12 ILE 4 10.327 -11.320 2.663 32 HD13 ILE 4 HD13 ILE 4 9.885 -12.727 1.664 33 H LEU 5 H LEU 5 4.950 -13.617 3.106 34 HA LEU 5 HA LEU 5 5.006 -15.616 1.034 35 HB2 LEU 5 HB2 LEU 5 3.235 -15.378 2.755 36 HB3 LEU 5 HB3 LEU 5 2.751 -13.838 2.046 37 HG LEU 5 HG LEU 5 2.081 -15.016 -0.047 38 HD11 LEU 5 HD11 LEU 5 2.779 -17.546 1.510 39 HD12 LEU 5 HD12 LEU 5 1.859 -17.497 -0.013 40 HD13 LEU 5 HD13 LEU 5 3.550 -16.984 0.006 41 HD21 LEU 5 HD21 LEU 5 0.446 -14.613 1.752 42 HD22 LEU 5 HD22 LEU 5 0.094 -16.113 0.876 43 HD23 LEU 5 HD23 LEU 5 0.854 -16.180 2.483 44 H ARG 6 H ARG 6 4.568 -12.101 0.981 45 HA ARG 6 HA ARG 6 5.075 -12.020 -1.950 46 HB2 ARG 6 HB2 ARG 6 2.753 -10.625 -0.541 47 HB3 ARG 6 HB3 ARG 6 3.317 -10.223 -2.166 48 HG2 ARG 6 HG2 ARG 6 2.838 -12.555 -2.905 49 HG3 ARG 6 HG3 ARG 6 2.161 -12.912 -1.309 50 HD2 ARG 6 HD2 ARG 6 1.143 -10.741 -3.183 51 HD3 ARG 6 HD3 ARG 6 0.445 -12.346 -3.059 52 HE ARG 6 HE ARG 6 0.243 -10.136 -1.110 53 HH11 ARG 6 HH22 ARG 6 -0.494 -13.524 -1.654 54 HH12 ARG 6 HH21 ARG 6 -1.651 -13.571 -0.352 55 HH21 ARG 6 HH11 ARG 6 -1.231 -10.270 0.533 56 HH22 ARG 6 HH12 ARG 6 -2.045 -11.770 0.861 57 H SER 7 H SER 7 6.091 -10.158 -2.672 58 HA SER 7 HA SER 7 7.536 -8.546 -0.684 59 HB2 SER 7 HB2 SER 7 8.706 -7.649 -2.672 60 HB3 SER 7 HB3 SER 7 8.782 -9.414 -2.553 61 HG SER 7 HG SER 7 8.273 -8.697 -4.693 62 H SER 8 H SER 8 7.688 -6.179 -0.921 63 HA SER 8 HA SER 8 5.391 -4.772 -2.122 64 HB2 SER 8 HB2 SER 8 4.824 -3.629 -0.021 65 HB3 SER 8 HB3 SER 8 4.552 -5.373 0.087 66 HG SER 8 HG SER 8 5.631 -4.557 1.955 67 H VAL 9 H VAL 9 5.598 -2.442 -2.106 68 HA VAL 9 HA VAL 9 8.373 -1.522 -2.492 69 HB VAL 9 HB VAL 9 5.733 -0.046 -2.840 70 HG11 VAL 9 HG11 VAL 9 7.078 1.548 -4.206 71 HG12 VAL 9 HG12 VAL 9 7.563 1.573 -2.513 72 HG13 VAL 9 HG13 VAL 9 8.564 0.711 -3.711 73 HG21 VAL 9 HG21 VAL 9 6.159 -0.360 -5.268 74 HG22 VAL 9 HG22 VAL 9 7.584 -1.350 -4.888 75 HG23 VAL 9 HG23 VAL 9 5.954 -1.905 -4.448 76 H ASN 10 H ASN 10 9.447 -0.008 -1.239 77 HA ASN 10 HA ASN 10 8.172 0.987 1.262 78 HB2 ASN 10 HB2 ASN 10 9.291 -1.185 1.741 79 HB3 ASN 10 HB3 ASN 10 10.800 -0.564 1.076 80 HD21 ASN 10 HD22 ASN 10 8.535 -0.350 3.814 81 HD22 ASN 10 HD21 ASN 10 9.630 0.577 4.826 82 H HIS 11 H HIS 11 9.146 2.855 2.175 83 HA HIS 11 HA HIS 11 10.047 4.788 0.313 84 HB2 HIS 11 HB2 HIS 11 10.271 6.247 2.243 85 HB3 HIS 11 HB3 HIS 11 8.793 5.298 2.363 86 HD2 HIS 11 HD2 HIS 11 12.167 5.866 4.092 87 HE1 HIS 11 HE1 HIS 11 10.070 3.037 6.504 88 HE2 HIS 11 HE2 HIS 11 12.122 4.535 6.369 89 H ARG 12 H ARG 12 12.015 2.496 2.154 90 HA ARG 12 HA ARG 12 14.503 3.821 2.037 91 HB2 ARG 12 HB2 ARG 12 15.566 1.837 2.309 92 HB3 ARG 12 HB3 ARG 12 14.031 1.572 3.122 93 HG2 ARG 12 HG2 ARG 12 13.232 0.160 1.317 94 HG3 ARG 12 HG3 ARG 12 14.561 0.619 0.266 95 HD2 ARG 12 HD2 ARG 12 14.813 -0.996 2.784 96 HD3 ARG 12 HD3 ARG 12 14.930 -1.603 1.124 97 HE ARG 12 HE ARG 12 17.026 -0.501 2.686 98 HH11 ARG 12 HH11 ARG 12 16.083 -0.429 -0.764 99 HH12 ARG 12 HH12 ARG 12 17.691 0.114 -1.198 100 HH21 ARG 12 HH21 ARG 12 19.012 0.108 1.926 101 HH22 ARG 12 HH22 ARG 12 19.241 0.365 0.205 102 H GLU 13 H GLU 13 12.666 2.429 -0.685 103 HA GLU 13 HA GLU 13 14.946 2.175 -2.416 104 HB2 GLU 13 HB2 GLU 13 11.992 2.393 -3.053 105 HB3 GLU 13 HB3 GLU 13 13.249 1.939 -4.206 106 HG2 GLU 13 HG2 GLU 13 12.586 0.437 -1.639 107 HG3 GLU 13 HG3 GLU 13 12.027 -0.010 -3.248 108 H VAL 14 H VAL 14 12.426 4.739 -2.095 109 HA VAL 14 HA VAL 14 13.738 6.458 -4.041 110 HB VAL 14 HB VAL 14 11.316 6.480 -3.677 111 HG11 VAL 14 HG11 VAL 14 10.312 7.755 -1.858 112 HG12 VAL 14 HG12 VAL 14 11.155 6.336 -1.237 113 HG13 VAL 14 HG13 VAL 14 11.894 7.945 -1.070 114 HG21 VAL 14 HG21 VAL 14 12.669 9.171 -3.248 115 HG22 VAL 14 HG22 VAL 14 12.409 8.340 -4.801 116 HG23 VAL 14 HG23 VAL 14 11.022 8.906 -3.861 117 H ASP 15 H ASP 15 13.862 6.241 -0.447 118 HA ASP 15 HA ASP 15 15.531 8.545 -0.049 119 HB2 ASP 15 HB2 ASP 15 14.455 7.398 1.796 120 HB3 ASP 15 HB3 ASP 15 15.320 5.900 1.430 121 H GLU 16 H GLU 16 16.447 5.113 -0.693 122 HA GLU 16 HA GLU 16 19.260 5.541 -0.825 123 HB2 GLU 16 HB2 GLU 16 18.275 3.356 -0.509 124 HB3 GLU 16 HB3 GLU 16 17.446 3.442 -2.074 125 HG2 GLU 16 HG2 GLU 16 19.505 3.274 -3.289 126 HG3 GLU 16 HG3 GLU 16 20.467 3.521 -1.821 127 H ALA 17 H ALA 17 16.758 5.660 -3.461 128 HA ALA 17 HA ALA 17 18.653 6.079 -5.526 129 HB1 ALA 17 HB1 ALA 17 15.739 6.983 -5.328 130 HB2 ALA 17 HB2 ALA 17 16.694 6.906 -6.823 131 HB3 ALA 17 HB3 ALA 17 16.311 5.415 -5.938 132 H ILE 18 H ILE 18 16.901 8.467 -3.461 133 HA ILE 18 HA ILE 18 18.056 10.824 -4.642 134 HB ILE 18 HB ILE 18 16.753 10.218 -1.973 135 HG12 ILE 18 HG12 ILE 18 15.962 11.971 -4.351 136 HG13 ILE 18 HG13 ILE 18 15.412 10.319 -4.090 137 HG21 ILE 18 HG21 ILE 18 18.392 11.978 -1.454 138 HG22 ILE 18 HG22 ILE 18 17.840 12.941 -2.838 139 HG23 ILE 18 HG23 ILE 18 16.774 12.645 -1.451 140 HD11 ILE 18 HD11 ILE 18 14.301 11.047 -1.964 141 HD12 ILE 18 HD12 ILE 18 14.729 12.731 -2.370 142 HD13 ILE 18 HD13 ILE 18 13.661 11.817 -3.431 143 H ASP 19 H ASP 19 19.141 8.870 -1.785 144 HA ASP 19 HA ASP 19 21.484 10.410 -1.254 145 HB2 ASP 19 HB2 ASP 19 20.426 8.797 0.288 146 HB3 ASP 19 HB3 ASP 19 20.868 7.464 -0.778 147 H ASN 20 H ASN 20 21.070 7.549 -3.429 148 HA ASN 20 HA ASN 20 23.804 7.382 -4.223 149 HB2 ASN 20 HB2 ASN 20 22.164 5.578 -4.561 150 HB3 ASN 20 HB3 ASN 20 21.247 6.581 -5.691 151 HD21 ASN 20 HD22 ASN 20 21.846 6.473 -7.872 152 HD22 ASN 20 HD21 ASN 20 23.333 5.718 -8.413 153 H ILE 21 H ILE 21 21.079 9.257 -5.698 154 HA ILE 21 HA ILE 21 22.695 10.392 -7.816 155 HB ILE 21 HB ILE 21 20.066 11.193 -6.516 156 HG12 ILE 21 HG12 ILE 21 20.655 10.378 -9.395 157 HG13 ILE 21 HG13 ILE 21 20.351 9.178 -8.144 158 HG21 ILE 21 HG21 ILE 21 20.963 13.329 -7.167 159 HG22 ILE 21 HG22 ILE 21 21.634 12.663 -8.674 160 HG23 ILE 21 HG23 ILE 21 19.884 12.868 -8.470 161 HD11 ILE 21 HD11 ILE 21 18.119 10.187 -7.686 162 HD12 ILE 21 HD12 ILE 21 18.388 11.334 -9.014 163 HD13 ILE 21 HD13 ILE 21 18.295 9.597 -9.349 164 H LEU 22 H LEU 22 21.874 11.560 -4.526 165 HA LEU 22 HA LEU 22 23.150 14.049 -4.605 166 HB2 LEU 22 HB2 LEU 22 21.616 13.179 -2.859 167 HB3 LEU 22 HB3 LEU 22 22.831 12.015 -2.355 168 HG LEU 22 HG LEU 22 24.322 13.938 -1.708 169 HD11 LEU 22 HD11 LEU 22 23.279 15.715 -3.070 170 HD12 LEU 22 HD12 LEU 22 21.747 15.517 -2.202 171 HD13 LEU 22 HD13 LEU 22 23.190 16.121 -1.350 172 HD21 LEU 22 HD21 LEU 22 23.057 14.421 0.368 173 HD22 LEU 22 HD22 LEU 22 21.595 13.715 -0.366 174 HD23 LEU 22 HD23 LEU 22 23.026 12.703 -0.046 175 H ARG 23 H ARG 23 24.582 10.876 -3.656 176 HA ARG 23 HA ARG 23 27.267 11.940 -3.322 177 HB2 ARG 23 HB2 ARG 23 26.207 9.102 -3.636 178 HB3 ARG 23 HB3 ARG 23 27.898 9.499 -3.278 179 HG2 ARG 23 HG2 ARG 23 27.237 10.630 -1.191 180 HG3 ARG 23 HG3 ARG 23 25.534 10.337 -1.546 181 HD2 ARG 23 HD2 ARG 23 26.165 7.822 -1.627 182 HD3 ARG 23 HD3 ARG 23 27.666 8.293 -0.817 183 HE ARG 23 HE ARG 23 24.892 8.288 0.209 184 HH11 ARG 23 HH11 ARG 23 28.181 9.214 1.077 185 HH12 ARG 23 HH12 ARG 23 27.703 9.645 2.693 186 HH21 ARG 23 HH21 ARG 23 24.343 9.066 2.077 187 HH22 ARG 23 HH22 ARG 23 25.535 9.472 3.307 188 H TYR 24 H TYR 24 25.726 10.156 -6.064 189 HA TYR 24 HA TYR 24 28.047 10.012 -7.689 190 HB2 TYR 24 HB2 TYR 24 26.044 8.701 -8.071 191 HB3 TYR 24 HB3 TYR 24 25.089 10.151 -8.356 192 HD1 TYR 24 HD2 TYR 24 28.319 8.696 -9.706 193 HD2 TYR 24 HD1 TYR 24 24.459 10.432 -10.573 194 HE1 TYR 24 HE2 TYR 24 28.783 8.511 -12.141 195 HE2 TYR 24 HE1 TYR 24 24.921 10.215 -13.018 196 HH TYR 24 HH TYR 24 27.991 8.874 -14.279 197 H THR 25 H THR 25 25.601 12.622 -7.456 198 HA THR 25 HA THR 25 26.940 14.283 -9.467 199 HB THR 25 HB THR 25 25.281 15.989 -8.869 200 HG1 THR 25 HG1 THR 25 24.157 14.082 -7.119 201 HG21 THR 25 HG21 THR 25 24.617 14.381 -10.555 202 HG22 THR 25 HG22 THR 25 24.100 13.215 -9.321 203 HG23 THR 25 HG23 THR 25 23.232 14.743 -9.511 204 H ASN 26 H ASN 26 27.753 13.658 -6.262 205 HA ASN 26 HA ASN 26 28.938 14.684 -4.663 206 HB2 ASN 26 HB2 ASN 26 30.577 14.340 -6.553 207 HB3 ASN 26 HB3 ASN 26 30.371 16.045 -6.968 208 HD21 ASN 26 HD22 ASN 26 32.758 16.078 -6.572 209 HD22 ASN 26 HD21 ASN 26 33.310 16.253 -4.915 210 H SER 27 H SER 27 26.514 15.852 -4.930 211 HA SER 27 HA SER 27 26.935 18.818 -4.653 212 HB2 SER 27 HB2 SER 27 24.646 17.211 -5.847 213 HB3 SER 27 HB3 SER 27 24.548 18.942 -5.495 214 HG SER 27 HG SER 27 26.539 17.750 -7.156 215 H THR 28 H THR 28 25.098 19.924 -3.433 216 HA THR 28 HA THR 28 24.483 18.482 -0.912 217 HB THR 28 HB THR 28 23.736 20.570 -0.026 218 HG1 THR 28 HG1 THR 28 23.831 22.447 -1.419 219 HG21 THR 28 HG21 THR 28 25.686 21.969 -0.149 220 HG22 THR 28 HG22 THR 28 26.239 20.283 -0.190 221 HG23 THR 28 HG23 THR 28 26.197 21.242 -1.688 222 H GLU 29 H GLU 29 22.252 18.493 -0.060 223 HA GLU 29 HA GLU 29 20.297 17.632 -1.991 224 HB2 GLU 29 HB2 GLU 29 19.949 18.494 0.902 225 HB3 GLU 29 HB3 GLU 29 18.742 17.638 -0.072 226 HG2 GLU 29 HG2 GLU 29 20.270 15.745 -0.378 227 HG3 GLU 29 HG3 GLU 29 21.498 16.536 0.611 228 H GLN 30 H GLN 30 20.959 20.830 -0.573 229 HA GLN 30 HA GLN 30 18.611 22.129 -1.670 230 HB2 GLN 30 HB2 GLN 30 21.321 23.216 -0.790 231 HB3 GLN 30 HB3 GLN 30 19.947 24.212 -1.296 232 HG2 GLN 30 HG2 GLN 30 18.559 23.256 0.529 233 HG3 GLN 30 HG3 GLN 30 19.921 22.274 1.066 234 HE21 GLN 30 HE22 GLN 30 19.000 23.747 3.054 235 HE22 GLN 30 HE21 GLN 30 19.972 25.188 3.303 236 H GLN 31 H GLN 31 21.994 21.710 -2.931 237 HA GLN 31 HA GLN 31 21.498 23.101 -5.405 238 HB2 GLN 31 HB2 GLN 31 23.494 20.973 -4.568 239 HB3 GLN 31 HB3 GLN 31 23.477 21.626 -6.194 240 HG2 GLN 31 HG2 GLN 31 23.776 23.354 -3.698 241 HG3 GLN 31 HG3 GLN 31 25.128 22.708 -4.622 242 HE21 GLN 31 HE22 GLN 31 25.056 25.414 -4.302 243 HE22 GLN 31 HE21 GLN 31 24.586 26.178 -5.816 244 H PHE 32 H PHE 32 21.072 19.636 -4.500 245 HA PHE 32 HA PHE 32 20.230 18.821 -7.094 246 HB2 PHE 32 HB2 PHE 32 20.994 17.303 -5.310 247 HB3 PHE 32 HB3 PHE 32 19.563 17.684 -4.362 248 HD1 PHE 32 HD1 PHE 32 18.991 17.169 -7.998 249 HD2 PHE 32 HD2 PHE 32 19.351 15.216 -4.163 250 HE1 PHE 32 HE1 PHE 32 17.794 15.209 -8.882 251 HE2 PHE 32 HE2 PHE 32 18.181 13.232 -5.086 252 HZ PHE 32 HZ PHE 32 17.362 13.239 -7.430 253 H LEU 33 H LEU 33 18.238 19.997 -4.307 254 HA LEU 33 HA LEU 33 15.750 19.850 -5.675 255 HB2 LEU 33 HB2 LEU 33 16.054 20.093 -3.255 256 HB3 LEU 33 HB3 LEU 33 16.700 21.710 -3.460 257 HG LEU 33 HG LEU 33 14.373 21.552 -2.591 258 HD11 LEU 33 HD11 LEU 33 14.383 23.097 -5.199 259 HD12 LEU 33 HD12 LEU 33 13.467 23.413 -3.726 260 HD13 LEU 33 HD13 LEU 33 15.223 23.624 -3.720 261 HD21 LEU 33 HD21 LEU 33 13.534 19.692 -3.977 262 HD22 LEU 33 HD22 LEU 33 12.498 21.118 -4.061 263 HD23 LEU 33 HD23 LEU 33 13.578 20.746 -5.414 264 H GLU 34 H GLU 34 18.111 22.536 -5.537 265 HA GLU 34 HA GLU 34 16.598 24.326 -7.164 266 HB2 GLU 34 HB2 GLU 34 18.503 24.932 -5.671 267 HB3 GLU 34 HB3 GLU 34 19.623 24.204 -6.833 268 HG2 GLU 34 HG2 GLU 34 18.907 25.808 -8.558 269 HG3 GLU 34 HG3 GLU 34 17.682 26.469 -7.467 270 H ALA 35 H ALA 35 19.026 21.865 -8.124 271 HA ALA 35 HA ALA 35 18.930 22.486 -10.926 272 HB1 ALA 35 HB1 ALA 35 19.995 20.262 -11.186 273 HB2 ALA 35 HB2 ALA 35 20.757 21.231 -9.915 274 HB3 ALA 35 HB3 ALA 35 19.653 19.902 -9.477 275 H MET 36 H MET 36 17.011 20.141 -8.965 276 HA MET 36 HA MET 36 15.406 19.174 -11.161 277 HB2 MET 36 HB2 MET 36 14.904 19.411 -8.162 278 HB3 MET 36 HB3 MET 36 13.769 18.639 -9.265 279 HG2 MET 36 HG2 MET 36 16.666 17.767 -9.006 280 HG3 MET 36 HG3 MET 36 15.380 17.106 -8.016 281 HE1 MET 36 HE1 MET 36 12.884 16.585 -9.954 282 HE2 MET 36 HE2 MET 36 13.291 14.909 -10.365 283 HE3 MET 36 HE3 MET 36 13.572 15.510 -8.717 284 H GLU 37 H GLU 37 14.859 21.982 -8.934 285 HA GLU 37 HA GLU 37 12.396 22.782 -10.161 286 HB2 GLU 37 HB2 GLU 37 13.212 23.497 -7.937 287 HB3 GLU 37 HB3 GLU 37 14.488 24.450 -8.705 288 HG2 GLU 37 HG2 GLU 37 12.796 25.872 -9.799 289 HG3 GLU 37 HG3 GLU 37 11.501 24.861 -9.150 290 H SER 38 H SER 38 15.783 23.767 -10.870 291 HA SER 38 HA SER 38 15.172 25.656 -12.912 292 HB2 SER 38 HB2 SER 38 17.306 25.486 -11.660 293 HB3 SER 38 HB3 SER 38 17.671 23.968 -12.501 294 HG SER 38 HG SER 38 17.372 26.584 -13.647 295 H THR 39 H THR 39 15.584 22.125 -13.088 296 HA THR 39 HA THR 39 15.463 22.191 -16.062 297 HB THR 39 HB THR 39 16.081 19.818 -15.968 298 HG1 THR 39 HG1 THR 39 16.489 20.214 -13.200 299 HG21 THR 39 HG21 THR 39 17.903 21.620 -14.312 300 HG22 THR 39 HG22 THR 39 18.375 20.124 -15.126 301 HG23 THR 39 HG23 THR 39 17.861 21.515 -16.086 302 H GLY 40 H GLY 40 13.120 22.171 -13.743 303 HA2 GLY 40 HA2 GLY 40 10.845 21.985 -14.124 304 HA3 GLY 40 HA3 GLY 40 11.146 21.278 -15.709 305 H GLY 41 H GLY 41 12.670 19.848 -12.899 306 HA2 GLY 41 HA2 GLY 41 12.049 18.118 -11.498 307 HA3 GLY 41 HA3 GLY 41 10.511 17.951 -12.346 308 H ARG 42 H ARG 42 12.842 17.771 -14.766 309 HA ARG 42 HA ARG 42 12.566 14.833 -14.949 310 HB2 ARG 42 HB2 ARG 42 13.692 17.053 -16.667 311 HB3 ARG 42 HB3 ARG 42 14.228 15.412 -16.975 312 HG2 ARG 42 HG2 ARG 42 11.277 16.135 -16.904 313 HG3 ARG 42 HG3 ARG 42 12.274 16.215 -18.370 314 HD2 ARG 42 HD2 ARG 42 12.882 13.815 -18.093 315 HD3 ARG 42 HD3 ARG 42 11.802 13.724 -16.679 316 HE ARG 42 HE ARG 42 10.412 14.767 -18.987 317 HH11 ARG 42 HH21 ARG 42 11.462 11.692 -17.643 318 HH12 ARG 42 HH22 ARG 42 10.267 10.796 -18.535 319 HH21 ARG 42 HH11 ARG 42 8.909 13.560 -20.075 320 HH22 ARG 42 HH12 ARG 42 8.846 11.834 -19.859 321 H VAL 43 H VAL 43 13.750 13.620 -13.606 322 HA VAL 43 HA VAL 43 16.023 14.589 -12.261 323 HB VAL 43 HB VAL 43 14.514 12.763 -11.513 324 HG11 VAL 43 HG11 VAL 43 14.982 10.453 -12.064 325 HG12 VAL 43 HG12 VAL 43 14.582 11.313 -13.552 326 HG13 VAL 43 HG13 VAL 43 16.277 10.910 -13.180 327 HG21 VAL 43 HG21 VAL 43 16.580 13.302 -10.312 328 HG22 VAL 43 HG22 VAL 43 16.231 11.561 -10.252 329 HG23 VAL 43 HG23 VAL 43 17.494 12.170 -11.336 330 H ARG 44 H ARG 44 16.001 12.689 -15.300 331 HA ARG 44 HA ARG 44 18.830 12.328 -15.441 332 HB2 ARG 44 HB2 ARG 44 18.515 11.774 -17.739 333 HB3 ARG 44 HB3 ARG 44 17.243 11.059 -16.769 334 HG2 ARG 44 HG2 ARG 44 15.683 12.923 -17.524 335 HG3 ARG 44 HG3 ARG 44 16.972 13.487 -18.600 336 HD2 ARG 44 HD2 ARG 44 15.720 10.711 -18.664 337 HD3 ARG 44 HD3 ARG 44 15.261 12.058 -19.719 338 HE ARG 44 HE ARG 44 18.007 11.811 -20.102 339 HH11 ARG 44 HH11 ARG 44 15.273 9.673 -20.618 340 HH12 ARG 44 HH12 ARG 44 16.081 8.807 -21.897 341 HH21 ARG 44 HH22 ARG 44 18.978 10.651 -21.732 342 HH22 ARG 44 HH21 ARG 44 18.114 9.365 -22.516 343 H ILE 45 H ILE 45 16.849 15.094 -16.424 344 HA ILE 45 HA ILE 45 19.085 16.510 -17.682 345 HB ILE 45 HB ILE 45 16.366 17.615 -16.881 346 HG12 ILE 45 HG12 ILE 45 17.249 16.340 -19.514 347 HG13 ILE 45 HG13 ILE 45 16.068 15.669 -18.395 348 HG21 ILE 45 HG21 ILE 45 18.223 19.285 -17.420 349 HG22 ILE 45 HG22 ILE 45 18.346 18.524 -19.017 350 HG23 ILE 45 HG23 ILE 45 16.858 19.363 -18.522 351 HD11 ILE 45 HD11 ILE 45 14.612 17.702 -18.791 352 HD12 ILE 45 HD12 ILE 45 15.720 18.136 -20.114 353 HD13 ILE 45 HD13 ILE 45 14.835 16.605 -20.168 354 H ALA 46 H ALA 46 17.463 16.513 -14.497 355 HA ALA 46 HA ALA 46 18.908 18.699 -13.366 356 HB1 ALA 46 HB1 ALA 46 18.146 17.820 -11.235 357 HB2 ALA 46 HB2 ALA 46 16.836 17.664 -12.432 358 HB3 ALA 46 HB3 ALA 46 17.789 16.238 -11.954 359 H ILE 47 H ILE 47 19.679 15.129 -13.255 360 HA ILE 47 HA ILE 47 22.188 15.650 -11.928 361 HB ILE 47 HB ILE 47 22.777 13.367 -12.248 362 HG12 ILE 47 HG12 ILE 47 20.397 13.117 -14.110 363 HG13 ILE 47 HG13 ILE 47 22.095 13.021 -14.577 364 HG21 ILE 47 HG21 ILE 47 21.061 14.096 -10.538 365 HG22 ILE 47 HG22 ILE 47 19.802 13.484 -11.618 366 HG23 ILE 47 HG23 ILE 47 21.015 12.379 -10.966 367 HD11 ILE 47 HD11 ILE 47 22.332 10.987 -13.120 368 HD12 ILE 47 HD12 ILE 47 20.575 11.038 -12.837 369 HD13 ILE 47 HD13 ILE 47 21.204 10.785 -14.471 370 H ALA 48 H ALA 48 21.377 15.400 -15.445 371 HA ALA 48 HA ALA 48 24.023 15.742 -16.405 372 HB1 ALA 48 HB1 ALA 48 22.077 15.213 -17.809 373 HB2 ALA 48 HB2 ALA 48 21.365 16.799 -17.461 374 HB3 ALA 48 HB3 ALA 48 22.872 16.692 -18.390 375 H LYS 49 H LYS 49 21.672 18.305 -15.358 376 HA LYS 49 HA LYS 49 23.438 20.516 -15.842 377 HB2 LYS 49 HB2 LYS 49 20.941 20.546 -15.592 378 HB3 LYS 49 HB3 LYS 49 21.156 20.429 -13.834 379 HG2 LYS 49 HG2 LYS 49 22.388 22.516 -13.789 380 HG3 LYS 49 HG3 LYS 49 22.585 22.503 -15.548 381 HD2 LYS 49 HD2 LYS 49 20.072 22.760 -15.766 382 HD3 LYS 49 HD3 LYS 49 20.030 23.066 -14.000 383 HE2 LYS 49 HE2 LYS 49 21.673 24.888 -14.287 384 HE3 LYS 49 HE3 LYS 49 21.812 24.504 -16.014 385 HZ1 LYS 49 HZ1 LYS 49 20.314 26.420 -15.609 386 HZ2 LYS 49 HZ2 LYS 49 19.487 25.204 -16.311 387 HZ3 LYS 49 HZ3 LYS 49 19.300 25.509 -14.713 388 H LEU 50 H LEU 50 23.046 18.458 -12.924 389 HA LEU 50 HA LEU 50 24.912 20.015 -11.329 390 HB2 LEU 50 HB2 LEU 50 23.925 17.146 -11.120 391 HB3 LEU 50 HB3 LEU 50 24.932 17.936 -9.914 392 HG LEU 50 HG LEU 50 22.198 19.006 -10.703 393 HD11 LEU 50 HD11 LEU 50 22.936 17.232 -8.349 394 HD12 LEU 50 HD12 LEU 50 21.343 17.950 -8.684 395 HD13 LEU 50 HD13 LEU 50 21.992 16.731 -9.774 396 HD21 LEU 50 HD21 LEU 50 22.348 20.146 -8.499 397 HD22 LEU 50 HD22 LEU 50 24.010 19.563 -8.327 398 HD23 LEU 50 HD23 LEU 50 23.593 20.698 -9.625 399 H LEU 51 H LEU 51 25.364 17.198 -13.503 400 HA LEU 51 HA LEU 51 28.158 16.858 -12.706 401 HB2 LEU 51 HB2 LEU 51 26.382 15.592 -14.824 402 HB3 LEU 51 HB3 LEU 51 28.054 15.123 -14.588 403 HG LEU 51 HG LEU 51 26.014 14.980 -12.332 404 HD11 LEU 51 HD11 LEU 51 25.277 13.558 -14.219 405 HD12 LEU 51 HD12 LEU 51 26.875 12.768 -14.244 406 HD13 LEU 51 HD13 LEU 51 25.802 12.602 -12.829 407 HD21 LEU 51 HD21 LEU 51 28.734 13.672 -12.773 408 HD22 LEU 51 HD22 LEU 51 28.346 14.920 -11.566 409 HD23 LEU 51 HD23 LEU 51 27.637 13.303 -11.435 410 H SER 52 H SER 52 26.540 18.016 -15.679 411 HA SER 52 HA SER 52 29.187 18.831 -16.809 412 HB2 SER 52 HB2 SER 52 26.670 17.931 -18.249 413 HB3 SER 52 HB3 SER 52 28.226 18.331 -19.000 414 HG SER 52 HG SER 52 28.036 16.075 -18.707 415 H LYS 53 H LYS 53 26.800 20.433 -15.348 416 HA LYS 53 HA LYS 53 25.643 22.364 -15.555 417 HB2 LYS 53 HB2 LYS 53 28.185 22.801 -15.277 418 HB3 LYS 53 HB3 LYS 53 28.077 23.537 -16.876 419 HG2 LYS 53 HG2 LYS 53 26.412 25.145 -16.057 420 HG3 LYS 53 HG3 LYS 53 26.274 24.271 -14.514 421 HD2 LYS 53 HD2 LYS 53 28.619 24.755 -13.991 422 HD3 LYS 53 HD3 LYS 53 28.814 25.603 -15.541 423 HE2 LYS 53 HE2 LYS 53 27.069 27.247 -14.862 424 HE3 LYS 53 HE3 LYS 53 26.873 26.409 -13.320 425 HZ1 LYS 53 HZ1 LYS 53 28.361 28.332 -13.116 426 HZ2 LYS 53 HZ2 LYS 53 29.195 26.968 -12.797 427 HZ3 LYS 53 HZ3 LYS 53 29.386 27.733 -14.232 428 H GLN 54 H GLN 54 25.146 20.634 -17.796 429 HA GLN 54 HA GLN 54 23.796 22.579 -19.595 430 HB2 GLN 54 HB2 GLN 54 25.544 20.240 -20.493 431 HB3 GLN 54 HB3 GLN 54 24.415 21.068 -21.552 432 HG2 GLN 54 HG2 GLN 54 26.791 22.436 -20.210 433 HG3 GLN 54 HG3 GLN 54 26.788 21.766 -21.834 434 HE21 GLN 54 HE22 GLN 54 25.460 24.402 -19.813 435 HE22 GLN 54 HE21 GLN 54 24.954 25.374 -21.197 436 H THR 55 H THR 55 21.978 21.607 -20.780 437 HA THR 55 HA THR 55 20.525 19.615 -19.192 438 HB THR 55 HB THR 55 18.759 19.966 -20.946 439 HG1 THR 55 HG1 THR 55 19.129 21.645 -22.431 440 HG21 THR 55 HG21 THR 55 18.196 22.252 -20.279 441 HG22 THR 55 HG22 THR 55 18.859 21.385 -18.884 442 HG23 THR 55 HG23 THR 55 19.866 22.555 -19.757 443 H SER 56 H SER 56 22.390 19.577 -22.180 444 HA SER 56 HA SER 56 21.513 17.039 -23.187 445 HB2 SER 56 HB2 SER 56 24.174 18.458 -23.593 446 HB3 SER 56 HB3 SER 56 23.504 17.181 -24.617 447 HG SER 56 HG SER 56 21.815 18.592 -25.215 448 H GLY 57 H GLY 57 22.706 15.047 -23.316 449 HA2 GLY 57 HA2 GLY 57 24.934 14.513 -21.484 450 HA3 GLY 57 HA3 GLY 57 23.425 13.710 -21.055 451 H GLY 58 H GLY 58 25.359 12.041 -21.442 452 HA2 GLY 58 HA2 GLY 58 25.947 11.214 -24.144 453 HA3 GLY 58 HA3 GLY 58 26.279 10.309 -22.673 454 H SER 59 H SER 59 25.587 8.995 -24.934 455 HA SER 59 HA SER 59 23.069 7.634 -24.177 456 HB2 SER 59 HB2 SER 59 22.349 9.281 -25.835 457 HB3 SER 59 HB3 SER 59 23.600 8.735 -26.965 458 HG SER 59 HG SER 59 21.426 7.828 -27.288 459 H GLY 60 H GLY 60 22.954 5.481 -24.815 460 HA2 GLY 60 HA2 GLY 60 25.445 4.078 -25.463 461 HA3 GLY 60 HA3 GLY 60 23.858 3.368 -25.172 462 H GLY 61 H GLY 61 23.069 5.594 -27.414 463 HA2 GLY 61 HA2 GLY 61 22.779 5.643 -29.696 464 HA3 GLY 61 HA3 GLY 61 24.133 4.529 -29.883 465 H SER 62 H SER 62 21.448 3.527 -27.882 466 HA SER 62 HA SER 62 21.007 1.140 -29.356 467 HB2 SER 62 HB2 SER 62 19.243 2.406 -27.227 468 HB3 SER 62 HB3 SER 62 19.225 0.709 -27.742 469 HG SER 62 HG SER 62 20.488 1.016 -25.838 470 H LYS 63 H LYS 63 19.272 0.357 -30.521 471 HA LYS 63 HA LYS 63 16.927 1.969 -31.129 472 HB2 LYS 63 HB2 LYS 63 17.097 2.183 -33.428 473 HB3 LYS 63 HB3 LYS 63 18.658 2.706 -32.857 474 HG2 LYS 63 HG2 LYS 63 17.981 0.023 -34.150 475 HG3 LYS 63 HG3 LYS 63 18.788 1.373 -34.915 476 HD2 LYS 63 HD2 LYS 63 19.934 -0.320 -32.655 477 HD3 LYS 63 HD3 LYS 63 20.347 -0.414 -34.368 478 HE2 LYS 63 HE2 LYS 63 21.116 1.973 -34.311 479 HE3 LYS 63 HE3 LYS 63 20.791 2.019 -32.578 480 HZ1 LYS 63 HZ1 LYS 63 22.784 0.252 -33.916 481 HZ2 LYS 63 HZ2 LYS 63 23.119 1.544 -32.976 482 HZ3 LYS 63 HZ3 LYS 63 22.455 0.210 -32.314 483 H LEU 64 H LEU 64 15.382 0.741 -32.555 484 HA LEU 64 HA LEU 64 15.562 -2.217 -32.149 485 HB2 LEU 64 HB2 LEU 64 13.109 -0.428 -31.890 486 HB3 LEU 64 HB3 LEU 64 13.074 -2.187 -31.857 487 HG LEU 64 HG LEU 64 14.495 -0.440 -29.796 488 HD11 LEU 64 HD11 LEU 64 12.661 -1.098 -28.300 489 HD12 LEU 64 HD12 LEU 64 12.034 -0.236 -29.716 490 HD13 LEU 64 HD13 LEU 64 11.886 -2.005 -29.620 491 HD21 LEU 64 HD21 LEU 64 13.963 -3.447 -29.845 492 HD22 LEU 64 HD22 LEU 64 15.553 -2.657 -29.945 493 HD23 LEU 64 HD23 LEU 64 14.606 -2.532 -28.462 494 H GLY 65 H GLY 65 14.462 -3.525 -33.658 495 HA2 GLY 65 HA2 GLY 65 14.715 -2.636 -36.425 496 HA3 GLY 65 HA3 GLY 65 14.264 -4.236 -35.856 497 H GLY 66 H GLY 66 12.985 -3.580 -37.965 498 HA2 GLY 66 HA2 GLY 66 10.820 -3.694 -38.795 499 HA3 GLY 66 HA3 GLY 66 10.167 -3.299 -37.212 500 H SER 67 H SER 67 8.946 -2.250 -39.315 501 HA SER 67 HA SER 67 10.035 0.320 -40.161 502 HB2 SER 67 HB2 SER 67 7.339 -0.951 -40.748 503 HB3 SER 67 HB3 SER 67 8.070 0.421 -41.600 504 HG SER 67 HG SER 67 8.409 -1.575 -42.709 505 H GLY 68 H GLY 68 8.165 -0.498 -37.433 506 HA2 GLY 68 HA2 GLY 68 7.040 0.800 -35.863 507 HA3 GLY 68 HA3 GLY 68 7.544 2.248 -36.734 508 H GLY 69 H GLY 69 5.467 3.187 -36.404 509 HA2 GLY 69 HA2 GLY 69 3.421 3.891 -37.185 510 HA3 GLY 69 HA3 GLY 69 3.646 2.842 -38.585 511 H SER 70 H SER 70 3.461 1.749 -35.204 512 HA SER 70 HA SER 70 1.715 -0.392 -35.684 513 HB2 SER 70 HB2 SER 70 3.105 -0.318 -33.725 514 HB3 SER 70 HB3 SER 70 2.262 1.117 -33.109 515 HG SER 70 HG SER 70 1.633 -1.121 -32.320 516 H ARG 71 H ARG 71 -0.397 -0.757 -35.680 517 HA ARG 71 HA ARG 71 -2.351 1.474 -35.379 518 HB2 ARG 71 HB2 ARG 71 -2.800 -1.421 -36.215 519 HB3 ARG 71 HB3 ARG 71 -3.966 -0.109 -36.305 520 HG2 ARG 71 HG2 ARG 71 -1.435 -0.447 -37.958 521 HG3 ARG 71 HG3 ARG 71 -3.097 -0.538 -38.514 522 HD2 ARG 71 HD2 ARG 71 -1.672 1.958 -37.506 523 HD3 ARG 71 HD3 ARG 71 -2.024 1.560 -39.192 524 HE ARG 71 HE ARG 71 -4.506 1.498 -37.921 525 HH11 ARG 71 HH11 ARG 71 -2.088 3.967 -38.497 526 HH12 ARG 71 HH12 ARG 71 -3.256 5.260 -38.446 527 HH21 ARG 71 HH21 ARG 71 -5.944 3.189 -37.841 528 HH22 ARG 71 HH22 ARG 71 -5.394 4.818 -38.089 529 H LYS 72 H LYS 72 -1.010 -0.954 -33.410 530 HA LYS 72 HA LYS 72 -3.348 -1.216 -31.612 531 HB2 LYS 72 HB2 LYS 72 -1.832 -3.127 -32.151 532 HB3 LYS 72 HB3 LYS 72 -0.506 -2.279 -31.341 533 HG2 LYS 72 HG2 LYS 72 -1.729 -2.363 -29.196 534 HG3 LYS 72 HG3 LYS 72 -3.145 -3.042 -30.009 535 HD2 LYS 72 HD2 LYS 72 -1.981 -4.801 -28.840 536 HD3 LYS 72 HD3 LYS 72 -1.844 -5.080 -30.581 537 HE2 LYS 72 HE2 LYS 72 0.458 -4.129 -30.554 538 HE3 LYS 72 HE3 LYS 72 0.303 -3.786 -28.824 539 HZ1 LYS 72 HZ1 LYS 72 1.493 -5.876 -29.215 540 HZ2 LYS 72 HZ2 LYS 72 0.097 -6.193 -28.435 541 HZ3 LYS 72 HZ3 LYS 72 0.233 -6.511 -30.033 542 H ASP 73 H ASP 73 -0.279 0.546 -31.735 543 HA ASP 73 HA ASP 73 -0.403 1.619 -29.056 544 HB2 ASP 73 HB2 ASP 73 1.677 1.490 -30.356 545 HB3 ASP 73 HB3 ASP 73 1.025 2.625 -31.542 546 H LEU 74 H LEU 74 -1.401 3.412 -28.245 547 HA LEU 74 HA LEU 74 -2.662 5.419 -29.980 548 HB2 LEU 74 HB2 LEU 74 -4.322 3.582 -29.851 549 HB3 LEU 74 HB3 LEU 74 -4.221 3.605 -28.092 550 HG LEU 74 HG LEU 74 -5.183 5.899 -28.066 551 HD11 LEU 74 HD11 LEU 74 -5.531 5.472 -31.068 552 HD12 LEU 74 HD12 LEU 74 -6.273 6.775 -30.116 553 HD13 LEU 74 HD13 LEU 74 -4.521 6.719 -30.308 554 HD21 LEU 74 HD21 LEU 74 -6.632 3.919 -27.850 555 HD22 LEU 74 HD22 LEU 74 -7.465 5.240 -28.684 556 HD23 LEU 74 HD23 LEU 74 -6.833 3.863 -29.616 557 H SER 75 H SER 75 -2.816 7.388 -29.023 558 HA SER 75 HA SER 75 -2.956 7.681 -26.107 559 HB2 SER 75 HB2 SER 75 -1.216 9.405 -26.022 560 HB3 SER 75 HB3 SER 75 -0.552 7.839 -26.505 561 HG SER 75 HG SER 75 0.251 9.533 -27.835 562 H VAL 76 H VAL 76 -3.671 9.823 -25.449 563 HA VAL 76 HA VAL 76 -5.043 11.458 -27.520 564 HB VAL 76 HB VAL 76 -7.131 11.486 -26.237 565 HG11 VAL 76 HG11 VAL 76 -6.381 8.632 -26.965 566 HG12 VAL 76 HG12 VAL 76 -8.007 9.337 -26.887 567 HG13 VAL 76 HG13 VAL 76 -6.861 9.897 -28.119 568 HG21 VAL 76 HG21 VAL 76 -5.936 9.266 -24.524 569 HG22 VAL 76 HG22 VAL 76 -6.346 10.917 -23.988 570 HG23 VAL 76 HG23 VAL 76 -7.623 9.815 -24.508 571 H LYS 77 H LYS 77 -5.952 13.504 -26.613 572 HA LYS 77 HA LYS 77 -4.028 14.868 -24.934 573 HB2 LYS 77 HB2 LYS 77 -5.441 16.813 -25.139 574 HB3 LYS 77 HB3 LYS 77 -5.225 16.034 -26.704 575 HG2 LYS 77 HG2 LYS 77 -7.505 15.004 -26.486 576 HG3 LYS 77 HG3 LYS 77 -7.710 15.844 -24.937 577 HD2 LYS 77 HD2 LYS 77 -7.433 18.029 -26.084 578 HD3 LYS 77 HD3 LYS 77 -7.242 17.187 -27.638 579 HE2 LYS 77 HE2 LYS 77 -9.513 16.199 -27.382 580 HE3 LYS 77 HE3 LYS 77 -9.703 17.029 -25.830 581 HZ1 LYS 77 HZ1 LYS 77 -10.762 18.279 -27.626 582 HZ2 LYS 77 HZ2 LYS 77 -9.530 19.158 -27.022 583 HZ3 LYS 77 HZ3 LYS 77 -9.365 18.392 -28.459 584 H GLY 78 H GLY 78 -4.146 15.601 -22.842 585 HA2 GLY 78 HA2 GLY 78 -4.694 15.614 -20.611 586 HA3 GLY 78 HA3 GLY 78 -6.355 15.227 -21.051 587 H MET 79 H MET 79 -3.955 12.910 -22.085 588 HA MET 79 HA MET 79 -5.147 10.808 -20.516 589 HB2 MET 79 HB2 MET 79 -4.279 10.541 -22.802 590 HB3 MET 79 HB3 MET 79 -2.630 10.820 -22.228 591 HG2 MET 79 HG2 MET 79 -2.736 8.764 -20.895 592 HG3 MET 79 HG3 MET 79 -4.438 8.539 -21.331 593 HE1 MET 79 HE1 MET 79 -2.213 6.272 -21.634 594 HE2 MET 79 HE2 MET 79 -3.924 6.047 -22.068 595 HE3 MET 79 HE3 MET 79 -2.648 5.600 -23.220 596 H LEU 80 H LEU 80 -4.458 9.746 -18.711 597 HA LEU 80 HA LEU 80 -2.633 11.099 -16.930 598 HB2 LEU 80 HB2 LEU 80 -4.735 9.998 -16.214 599 HB3 LEU 80 HB3 LEU 80 -4.093 8.437 -16.719 600 HG LEU 80 HG LEU 80 -2.313 8.614 -14.970 601 HD11 LEU 80 HD11 LEU 80 -3.829 11.125 -14.126 602 HD12 LEU 80 HD12 LEU 80 -2.567 10.311 -13.177 603 HD13 LEU 80 HD13 LEU 80 -2.155 11.068 -14.715 604 HD21 LEU 80 HD21 LEU 80 -3.799 8.234 -13.052 605 HD22 LEU 80 HD22 LEU 80 -5.153 8.975 -13.932 606 HD23 LEU 80 HD23 LEU 80 -4.437 7.452 -14.507 607 H TYR 81 H TYR 81 -0.609 10.549 -16.238 608 HA TYR 81 HA TYR 81 0.691 8.037 -17.051 609 HB2 TYR 81 HB2 TYR 81 2.568 9.082 -18.093 610 HB3 TYR 81 HB3 TYR 81 1.131 9.654 -18.909 611 HD1 TYR 81 HD1 TYR 81 0.330 12.009 -18.567 612 HD2 TYR 81 HD2 TYR 81 4.042 10.589 -16.886 613 HE1 TYR 81 HE1 TYR 81 1.052 14.361 -18.176 614 HE2 TYR 81 HE2 TYR 81 4.764 12.943 -16.491 615 HH TYR 81 HH TYR 81 2.709 15.748 -17.378 616 H ASP 82 H ASP 82 2.886 7.846 -16.020 617 HA ASP 82 HA ASP 82 3.355 9.530 -13.649 618 HB2 ASP 82 HB2 ASP 82 1.963 7.631 -12.857 619 HB3 ASP 82 HB3 ASP 82 3.173 6.501 -13.474 620 H SER 83 H SER 83 5.521 9.214 -12.723 621 HA SER 83 HA SER 83 7.594 7.918 -14.327 622 HB2 SER 83 HB2 SER 83 7.265 9.977 -15.653 623 HB3 SER 83 HB3 SER 83 7.442 10.960 -14.189 624 HG SER 83 HG SER 83 9.402 9.487 -15.602 625 H ASP 84 H ASP 84 9.525 7.689 -13.212 626 HA ASP 84 HA ASP 84 9.604 8.138 -10.362 627 HB2 ASP 84 HB2 ASP 84 11.871 7.356 -10.478 628 HB3 ASP 84 HB3 ASP 84 10.824 6.317 -11.434 629 H SER 85 H SER 85 10.411 10.214 -13.102 630 HA SER 85 HA SER 85 12.087 12.110 -11.757 631 HB2 SER 85 HB2 SER 85 10.186 12.287 -14.108 632 HB3 SER 85 HB3 SER 85 10.925 13.736 -13.439 633 HG SER 85 HG SER 85 12.252 11.457 -14.522 634 H GLN 86 H GLN 86 8.451 12.032 -11.992 635 HA GLN 86 HA GLN 86 8.260 14.360 -10.271 636 HB2 GLN 86 HB2 GLN 86 5.907 14.122 -10.299 637 HB3 GLN 86 HB3 GLN 86 6.572 14.004 -11.927 638 HG2 GLN 86 HG2 GLN 86 6.168 11.603 -11.986 639 HG3 GLN 86 HG3 GLN 86 5.662 11.597 -10.290 640 HE21 GLN 86 HE22 GLN 86 3.712 10.499 -11.443 641 HE22 GLN 86 HE21 GLN 86 2.459 11.608 -12.008 642 H GLN 87 H GLN 87 8.214 10.847 -9.603 643 HA GLN 87 HA GLN 87 7.456 11.080 -6.849 644 HB2 GLN 87 HB2 GLN 87 7.507 8.976 -8.223 645 HB3 GLN 87 HB3 GLN 87 9.272 9.004 -8.156 646 HG2 GLN 87 HG2 GLN 87 9.126 8.883 -5.633 647 HG3 GLN 87 HG3 GLN 87 7.368 8.780 -5.773 648 HE21 GLN 87 HE22 GLN 87 6.479 6.821 -6.992 649 HE22 GLN 87 HE21 GLN 87 7.449 5.360 -6.953 650 H ILE 88 H ILE 88 10.694 11.079 -8.403 651 HA ILE 88 HA ILE 88 12.199 11.533 -5.971 652 HB ILE 88 HB ILE 88 12.830 12.050 -8.897 653 HG12 ILE 88 HG12 ILE 88 12.623 9.642 -8.101 654 HG13 ILE 88 HG13 ILE 88 14.137 10.090 -8.861 655 HG21 ILE 88 HG21 ILE 88 14.658 12.427 -6.479 656 HG22 ILE 88 HG22 ILE 88 15.239 12.262 -8.151 657 HG23 ILE 88 HG23 ILE 88 14.220 13.631 -7.699 658 HD11 ILE 88 HD11 ILE 88 15.297 10.091 -6.726 659 HD12 ILE 88 HD12 ILE 88 13.765 9.909 -5.845 660 HD13 ILE 88 HD13 ILE 88 14.366 8.596 -6.869 661 H LEU 89 H LEU 89 10.840 13.859 -8.408 662 HA LEU 89 HA LEU 89 11.763 16.197 -7.105 663 HB2 LEU 89 HB2 LEU 89 10.728 16.159 -9.388 664 HB3 LEU 89 HB3 LEU 89 9.191 15.674 -8.684 665 HG LEU 89 HG LEU 89 9.052 17.859 -7.478 666 HD11 LEU 89 HD11 LEU 89 11.466 18.465 -7.422 667 HD12 LEU 89 HD12 LEU 89 11.447 18.619 -9.196 668 HD13 LEU 89 HD13 LEU 89 10.491 19.721 -8.186 669 HD21 LEU 89 HD21 LEU 89 8.478 19.191 -9.446 670 HD22 LEU 89 HD22 LEU 89 9.344 18.039 -10.487 671 HD23 LEU 89 HD23 LEU 89 7.898 17.523 -9.600 672 H ASN 90 H ASN 90 8.537 14.593 -6.611 673 HA ASN 90 HA ASN 90 7.819 16.535 -4.613 674 HB2 ASN 90 HB2 ASN 90 6.680 13.820 -5.378 675 HB3 ASN 90 HB3 ASN 90 5.962 14.854 -4.138 676 HD21 ASN 90 HD22 ASN 90 4.426 14.186 -6.343 677 HD22 ASN 90 HD21 ASN 90 4.214 15.632 -7.311 678 H ARG 91 H ARG 91 9.283 13.239 -4.223 679 HA ARG 91 HA ARG 91 9.326 13.498 -1.350 680 HB2 ARG 91 HB2 ARG 91 9.596 11.350 -2.733 681 HB3 ARG 91 HB3 ARG 91 11.247 11.861 -3.062 682 HG2 ARG 91 HG2 ARG 91 11.343 10.341 -1.217 683 HG3 ARG 91 HG3 ARG 91 11.642 11.933 -0.548 684 HD2 ARG 91 HD2 ARG 91 10.204 10.845 0.975 685 HD3 ARG 91 HD3 ARG 91 9.191 12.016 0.162 686 HE ARG 91 HE ARG 91 9.216 9.047 -0.196 687 HH11 ARG 91 HH11 ARG 91 7.316 12.003 -0.615 688 HH12 ARG 91 HH12 ARG 91 6.054 11.132 -1.430 689 HH21 ARG 91 HH21 ARG 91 7.482 8.036 -1.142 690 HH22 ARG 91 HH22 ARG 91 6.101 8.966 -1.624 691 H LEU 92 H LEU 92 11.591 14.701 -3.836 692 HA LEU 92 HA LEU 92 13.565 15.517 -1.866 693 HB2 LEU 92 HB2 LEU 92 14.033 15.021 -4.274 694 HB3 LEU 92 HB3 LEU 92 13.145 16.479 -4.719 695 HG LEU 92 HG LEU 92 14.863 17.819 -3.407 696 HD11 LEU 92 HD11 LEU 92 15.731 16.051 -1.896 697 HD12 LEU 92 HD12 LEU 92 16.312 15.134 -3.304 698 HD13 LEU 92 HD13 LEU 92 17.023 16.714 -2.900 699 HD21 LEU 92 HD21 LEU 92 15.855 15.993 -5.643 700 HD22 LEU 92 HD22 LEU 92 15.011 17.556 -5.830 701 HD23 LEU 92 HD23 LEU 92 16.637 17.492 -5.119 702 H ARG 93 H ARG 93 10.742 17.147 -3.370 703 HA ARG 93 HA ARG 93 11.169 19.755 -2.201 704 HB2 ARG 93 HB2 ARG 93 8.665 18.276 -3.120 705 HB3 ARG 93 HB3 ARG 93 8.623 19.919 -2.496 706 HG2 ARG 93 HG2 ARG 93 9.961 20.770 -4.301 707 HG3 ARG 93 HG3 ARG 93 10.376 19.153 -4.865 708 HD2 ARG 93 HD2 ARG 93 8.675 20.075 -6.331 709 HD3 ARG 93 HD3 ARG 93 8.007 18.710 -5.422 710 HE ARG 93 HE ARG 93 7.577 21.476 -4.388 711 HH11 ARG 93 HH21 ARG 93 6.013 18.708 -5.977 712 HH12 ARG 93 HH22 ARG 93 4.445 19.422 -5.758 713 HH21 ARG 93 HH12 ARG 93 5.526 22.228 -4.118 714 HH22 ARG 93 HH11 ARG 93 4.173 21.319 -4.719 715 H GLU 94 H GLU 94 9.305 16.911 -0.990 716 HA GLU 94 HA GLU 94 8.591 18.099 1.525 717 HB2 GLU 94 HB2 GLU 94 9.143 15.202 0.768 718 HB3 GLU 94 HB3 GLU 94 8.414 15.713 2.298 719 HG2 GLU 94 HG2 GLU 94 6.507 16.683 1.140 720 HG3 GLU 94 HG3 GLU 94 7.201 16.321 -0.432 721 H ARG 95 H ARG 95 11.386 15.997 0.687 722 HA ARG 95 HA ARG 95 12.623 15.921 3.214 723 HB2 ARG 95 HB2 ARG 95 13.021 14.458 1.267 724 HB3 ARG 95 HB3 ARG 95 13.791 15.796 0.405 725 HG2 ARG 95 HG2 ARG 95 15.626 15.798 2.118 726 HG3 ARG 95 HG3 ARG 95 14.836 14.408 2.908 727 HD2 ARG 95 HD2 ARG 95 14.964 13.176 0.696 728 HD3 ARG 95 HD3 ARG 95 15.838 14.549 0.023 729 HE ARG 95 HE ARG 95 17.720 14.111 1.469 730 HH11 ARG 95 HH21 ARG 95 15.368 11.499 1.738 731 HH12 ARG 95 HH22 ARG 95 16.608 10.363 2.213 732 HH21 ARG 95 HH11 ARG 95 19.111 12.777 2.090 733 HH22 ARG 95 HH12 ARG 95 18.732 11.085 2.474 734 H VAL 96 H VAL 96 13.161 18.320 0.603 735 HA VAL 96 HA VAL 96 15.260 19.648 2.224 736 HB VAL 96 HB VAL 96 14.348 20.113 -0.634 737 HG11 VAL 96 HG11 VAL 96 16.760 21.216 0.878 738 HG12 VAL 96 HG12 VAL 96 16.509 21.331 -0.877 739 HG13 VAL 96 HG13 VAL 96 15.402 22.158 0.216 740 HG21 VAL 96 HG21 VAL 96 15.436 17.908 -0.316 741 HG22 VAL 96 HG22 VAL 96 16.519 18.993 -1.180 742 HG23 VAL 96 HG23 VAL 96 16.773 18.681 0.555 743 H SER 97 H SER 97 11.966 20.382 1.037 744 HA SER 97 HA SER 97 12.130 23.070 2.329 745 HB2 SER 97 HB2 SER 97 10.341 22.165 0.056 746 HB3 SER 97 HB3 SER 97 10.471 23.794 0.711 747 HG SER 97 HG SER 97 12.572 23.947 -0.054 748 H GLY 98 H GLY 98 10.733 20.057 3.009 749 HA2 GLY 98 HA2 GLY 98 9.364 19.586 4.818 750 HA3 GLY 98 HA3 GLY 98 8.859 21.270 4.940 751 H SER 99 H SER 99 7.195 18.872 5.007 752 HA SER 99 HA SER 99 5.905 18.329 2.558 753 HB2 SER 99 HB2 SER 99 4.730 18.110 5.353 754 HB3 SER 99 HB3 SER 99 4.201 17.235 3.901 755 HG SER 99 HG SER 99 5.614 15.967 5.222 756 H THR 100 H THR 100 5.394 21.048 4.699 757 HA THR 100 HA THR 100 2.885 21.892 3.372 758 HB THR 100 HB THR 100 3.077 23.829 4.973 759 HG1 THR 100 HG1 THR 100 4.601 23.619 6.630 760 HG21 THR 100 HG21 THR 100 3.163 21.067 6.266 761 HG22 THR 100 HG22 THR 100 2.447 22.542 6.954 762 HG23 THR 100 HG23 THR 100 1.738 21.807 5.507 763 H ALA 101 H ALA 101 6.127 22.135 2.553 764 HA ALA 101 HA ALA 101 7.430 23.566 1.379 765 HB1 ALA 101 HB1 ALA 101 4.823 24.045 -0.115 766 HB2 ALA 101 HB2 ALA 101 6.474 24.205 -0.763 767 HB3 ALA 101 HB3 ALA 101 5.863 22.617 -0.286 768 H GLN 102 H GLN 102 6.262 26.100 0.000 769 HA GLN 102 HA GLN 102 7.023 27.973 2.108 770 HB2 GLN 102 HB2 GLN 102 5.936 28.393 -0.704 771 HB3 GLN 102 HB3 GLN 102 6.484 29.685 0.372 772 HG2 GLN 102 HG2 GLN 102 8.747 28.645 0.481 773 HG3 GLN 102 HG3 GLN 102 8.224 27.404 -0.659 774 HE21 GLN 102 HE22 GLN 102 10.386 28.669 -1.527 775 HE22 GLN 102 HE21 GLN 102 9.983 29.883 -2.736 776 H SER 103 H SER 103 3.927 26.793 0.861 777 HA SER 103 HA SER 103 2.503 27.961 3.102 778 HB2 SER 103 HB2 SER 103 2.552 29.860 1.453 779 HB3 SER 103 HB3 SER 103 1.685 28.831 0.300 780 HG SER 103 HG SER 103 0.276 30.195 1.556 781 H ALA 104 H ALA 104 0.583 26.922 3.517 782 HA ALA 104 HA ALA 104 -0.600 24.996 1.632 783 HB1 ALA 104 HB1 ALA 104 1.081 23.649 2.817 784 HB2 ALA 104 HB2 ALA 104 0.426 24.179 4.387 785 HB3 ALA 104 HB3 ALA 104 -0.557 23.169 3.304 Start of MODEL 11 1 H1 SER 1 H1 SER 1 5.393 -17.464 -8.933 2 H2 SER 1 H2 SER 1 5.765 -17.416 -7.341 3 H3 SER 1 H3 SER 1 5.830 -16.047 -8.249 4 HA SER 1 HA SER 1 7.556 -18.408 -8.611 5 HB2 SER 1 HB2 SER 1 8.872 -16.936 -10.148 6 HB3 SER 1 HB3 SER 1 7.258 -17.354 -10.735 7 HG SER 1 HG SER 1 7.640 -15.128 -11.007 8 H VAL 2 H VAL 2 8.278 -14.907 -8.165 9 HA VAL 2 HA VAL 2 10.360 -15.524 -6.213 10 HB VAL 2 HB VAL 2 10.698 -13.103 -6.082 11 HG11 VAL 2 HG11 VAL 2 11.503 -12.787 -8.353 12 HG12 VAL 2 HG12 VAL 2 11.804 -14.452 -7.832 13 HG13 VAL 2 HG13 VAL 2 10.467 -14.098 -8.951 14 HG21 VAL 2 HG21 VAL 2 8.431 -12.822 -8.105 15 HG22 VAL 2 HG22 VAL 2 8.382 -12.284 -6.411 16 HG23 VAL 2 HG23 VAL 2 9.519 -11.542 -7.542 17 H SER 3 H SER 3 10.538 -14.655 -4.066 18 HA SER 3 HA SER 3 8.089 -14.945 -2.496 19 HB2 SER 3 HB2 SER 3 10.356 -15.805 -1.808 20 HB3 SER 3 HB3 SER 3 10.845 -14.121 -1.524 21 HG SER 3 HG SER 3 10.018 -15.197 0.376 22 H ILE 4 H ILE 4 7.381 -13.390 -0.896 23 HA ILE 4 HA ILE 4 7.098 -10.733 -2.166 24 HB ILE 4 HB ILE 4 5.533 -11.875 0.163 25 HG12 ILE 4 HG12 ILE 4 5.135 -13.425 -1.618 26 HG13 ILE 4 HG13 ILE 4 3.732 -12.398 -1.461 27 HG21 ILE 4 HG21 ILE 4 5.309 -9.464 -0.008 28 HG22 ILE 4 HG22 ILE 4 4.983 -9.557 -1.751 29 HG23 ILE 4 HG23 ILE 4 3.819 -10.208 -0.580 30 HD11 ILE 4 HD11 ILE 4 4.485 -11.085 -3.469 31 HD12 ILE 4 HD12 ILE 4 5.867 -12.199 -3.634 32 HD13 ILE 4 HD13 ILE 4 4.216 -12.802 -3.811 33 H LEU 5 H LEU 5 7.725 -8.818 -1.280 34 HA LEU 5 HA LEU 5 9.700 -8.867 0.869 35 HB2 LEU 5 HB2 LEU 5 8.502 -6.541 -0.690 36 HB3 LEU 5 HB3 LEU 5 9.874 -6.436 0.406 37 HG LEU 5 HG LEU 5 9.805 -8.001 -2.215 38 HD11 LEU 5 HD11 LEU 5 11.307 -5.472 -1.420 39 HD12 LEU 5 HD12 LEU 5 11.387 -6.304 -2.991 40 HD13 LEU 5 HD13 LEU 5 9.874 -5.540 -2.474 41 HD21 LEU 5 HD21 LEU 5 11.324 -9.131 -0.654 42 HD22 LEU 5 HD22 LEU 5 12.258 -8.263 -1.868 43 HD23 LEU 5 HD23 LEU 5 12.089 -7.580 -0.236 44 H ARG 6 H ARG 6 9.678 -7.548 2.763 45 HA ARG 6 HA ARG 6 7.203 -7.694 4.286 46 HB2 ARG 6 HB2 ARG 6 9.888 -6.393 4.925 47 HB3 ARG 6 HB3 ARG 6 8.540 -6.533 6.059 48 HG2 ARG 6 HG2 ARG 6 8.615 -9.012 5.865 49 HG3 ARG 6 HG3 ARG 6 9.993 -8.883 4.758 50 HD2 ARG 6 HD2 ARG 6 11.305 -7.735 6.514 51 HD3 ARG 6 HD3 ARG 6 9.955 -7.865 7.637 52 HE ARG 6 HE ARG 6 11.784 -10.001 6.739 53 HH11 ARG 6 HH11 ARG 6 8.793 -9.401 8.488 54 HH12 ARG 6 HH12 ARG 6 8.841 -10.957 9.268 55 HH21 ARG 6 HH21 ARG 6 11.771 -11.959 7.762 56 HH22 ARG 6 HH22 ARG 6 10.494 -12.360 8.870 57 H SER 7 H SER 7 5.936 -6.111 5.087 58 HA SER 7 HA SER 7 4.466 -4.415 4.727 59 HB2 SER 7 HB2 SER 7 5.248 -2.290 5.584 60 HB3 SER 7 HB3 SER 7 5.805 -3.664 6.545 61 HG SER 7 HG SER 7 7.515 -2.219 6.241 62 H SER 8 H SER 8 6.690 -2.076 3.536 63 HA SER 8 HA SER 8 6.195 -2.491 0.702 64 HB2 SER 8 HB2 SER 8 4.918 -0.124 2.124 65 HB3 SER 8 HB3 SER 8 5.328 -0.085 0.401 66 HG SER 8 HG SER 8 3.784 -2.188 1.522 67 H VAL 9 H VAL 9 7.824 -1.563 -0.509 68 HA VAL 9 HA VAL 9 9.998 -0.221 1.054 69 HB VAL 9 HB VAL 9 11.583 -1.259 -0.461 70 HG11 VAL 9 HG11 VAL 9 10.902 -2.409 1.616 71 HG12 VAL 9 HG12 VAL 9 9.653 -3.296 0.717 72 HG13 VAL 9 HG13 VAL 9 11.370 -3.541 0.334 73 HG21 VAL 9 HG21 VAL 9 10.156 -1.457 -2.504 74 HG22 VAL 9 HG22 VAL 9 10.959 -2.967 -2.062 75 HG23 VAL 9 HG23 VAL 9 9.234 -2.755 -1.708 76 H ASN 10 H ASN 10 7.799 0.774 -1.224 77 HA ASN 10 HA ASN 10 9.258 2.103 -3.191 78 HB2 ASN 10 HB2 ASN 10 6.897 1.868 -3.367 79 HB3 ASN 10 HB3 ASN 10 6.599 2.676 -1.840 80 HD21 ASN 10 HD22 ASN 10 6.657 4.996 -1.732 81 HD22 ASN 10 HD21 ASN 10 6.566 5.920 -3.242 82 H HIS 11 H HIS 11 8.249 3.618 -0.077 83 HA HIS 11 HA HIS 11 9.609 6.068 -0.360 84 HB2 HIS 11 HB2 HIS 11 9.506 6.240 2.066 85 HB3 HIS 11 HB3 HIS 11 8.001 5.606 1.426 86 HD2 HIS 11 HD2 HIS 11 7.882 2.679 1.585 87 HE1 HIS 11 HE1 HIS 11 10.380 2.507 5.025 88 HE2 HIS 11 HE2 HIS 11 8.770 1.188 3.531 89 H ARG 12 H ARG 12 10.984 3.026 1.035 90 HA ARG 12 HA ARG 12 13.585 4.103 1.557 91 HB2 ARG 12 HB2 ARG 12 12.946 2.064 2.633 92 HB3 ARG 12 HB3 ARG 12 12.524 1.291 1.108 93 HG2 ARG 12 HG2 ARG 12 14.582 0.359 2.005 94 HG3 ARG 12 HG3 ARG 12 14.860 1.125 0.451 95 HD2 ARG 12 HD2 ARG 12 15.763 3.154 1.688 96 HD3 ARG 12 HD3 ARG 12 15.614 2.244 3.188 97 HE ARG 12 HE ARG 12 17.485 1.727 0.901 98 HH11 ARG 12 HH21 ARG 12 16.581 0.671 4.138 99 HH12 ARG 12 HH22 ARG 12 18.024 -0.295 4.280 100 HH21 ARG 12 HH11 ARG 12 19.148 0.569 1.115 101 HH22 ARG 12 HH12 ARG 12 19.498 -0.366 2.575 102 H GLU 13 H GLU 13 12.353 2.359 -1.345 103 HA GLU 13 HA GLU 13 14.816 2.442 -2.771 104 HB2 GLU 13 HB2 GLU 13 12.865 1.004 -3.292 105 HB3 GLU 13 HB3 GLU 13 11.970 2.422 -3.860 106 HG2 GLU 13 HG2 GLU 13 13.599 2.772 -5.662 107 HG3 GLU 13 HG3 GLU 13 14.635 1.493 -5.020 108 H VAL 14 H VAL 14 12.112 4.830 -2.742 109 HA VAL 14 HA VAL 14 13.313 6.620 -4.652 110 HB VAL 14 HB VAL 14 11.211 7.002 -2.485 111 HG11 VAL 14 HG11 VAL 14 12.122 9.220 -2.860 112 HG12 VAL 14 HG12 VAL 14 12.102 8.979 -4.615 113 HG13 VAL 14 HG13 VAL 14 10.578 9.103 -3.714 114 HG21 VAL 14 HG21 VAL 14 9.631 6.955 -4.308 115 HG22 VAL 14 HG22 VAL 14 10.932 6.905 -5.524 116 HG23 VAL 14 HG23 VAL 14 10.642 5.524 -4.465 117 H ASP 15 H ASP 15 13.389 6.660 -1.029 118 HA ASP 15 HA ASP 15 14.966 9.062 -0.937 119 HB2 ASP 15 HB2 ASP 15 13.486 8.148 0.879 120 HB3 ASP 15 HB3 ASP 15 14.698 6.889 1.168 121 H GLU 16 H GLU 16 15.864 5.592 -0.906 122 HA GLU 16 HA GLU 16 18.696 5.922 -0.699 123 HB2 GLU 16 HB2 GLU 16 17.550 3.784 -0.405 124 HB3 GLU 16 HB3 GLU 16 17.006 3.804 -2.093 125 HG2 GLU 16 HG2 GLU 16 19.282 3.622 -2.914 126 HG3 GLU 16 HG3 GLU 16 19.937 3.807 -1.278 127 H ALA 17 H ALA 17 16.530 5.917 -3.615 128 HA ALA 17 HA ALA 17 18.677 6.195 -5.461 129 HB1 ALA 17 HB1 ALA 17 15.763 7.076 -5.702 130 HB2 ALA 17 HB2 ALA 17 16.915 6.929 -7.046 131 HB3 ALA 17 HB3 ALA 17 16.426 5.482 -6.145 132 H ILE 18 H ILE 18 16.744 8.651 -3.675 133 HA ILE 18 HA ILE 18 17.978 10.980 -4.782 134 HB ILE 18 HB ILE 18 16.548 10.366 -2.196 135 HG12 ILE 18 HG12 ILE 18 15.883 12.294 -4.457 136 HG13 ILE 18 HG13 ILE 18 15.388 10.604 -4.459 137 HG21 ILE 18 HG21 ILE 18 17.796 13.062 -2.889 138 HG22 ILE 18 HG22 ILE 18 16.591 12.789 -1.616 139 HG23 ILE 18 HG23 ILE 18 18.167 12.039 -1.486 140 HD11 ILE 18 HD11 ILE 18 14.142 10.965 -2.326 141 HD12 ILE 18 HD12 ILE 18 14.510 12.705 -2.442 142 HD13 ILE 18 HD13 ILE 18 13.537 11.918 -3.696 143 H ASP 19 H ASP 19 18.994 9.047 -1.864 144 HA ASP 19 HA ASP 19 21.387 10.601 -1.457 145 HB2 ASP 19 HB2 ASP 19 20.492 7.843 -0.579 146 HB3 ASP 19 HB3 ASP 19 22.122 8.429 -0.245 147 H ASN 20 H ASN 20 20.834 7.698 -3.513 148 HA ASN 20 HA ASN 20 23.578 7.310 -4.202 149 HB2 ASN 20 HB2 ASN 20 21.686 5.692 -4.569 150 HB3 ASN 20 HB3 ASN 20 21.072 6.744 -5.852 151 HD21 ASN 20 HD22 ASN 20 21.309 4.733 -7.182 152 HD22 ASN 20 HD21 ASN 20 22.898 4.381 -7.836 153 H ILE 21 H ILE 21 21.028 9.335 -5.748 154 HA ILE 21 HA ILE 21 22.721 10.445 -7.810 155 HB ILE 21 HB ILE 21 20.119 11.345 -6.515 156 HG12 ILE 21 HG12 ILE 21 20.634 10.471 -9.390 157 HG13 ILE 21 HG13 ILE 21 20.323 9.287 -8.125 158 HG21 ILE 21 HG21 ILE 21 20.034 12.982 -8.513 159 HG22 ILE 21 HG22 ILE 21 21.104 13.423 -7.194 160 HG23 ILE 21 HG23 ILE 21 21.776 12.704 -8.676 161 HD11 ILE 21 HD11 ILE 21 18.410 11.499 -8.948 162 HD12 ILE 21 HD12 ILE 21 18.251 9.763 -9.261 163 HD13 ILE 21 HD13 ILE 21 18.148 10.376 -7.597 164 H LEU 22 H LEU 22 21.896 11.600 -4.502 165 HA LEU 22 HA LEU 22 23.358 14.002 -4.566 166 HB2 LEU 22 HB2 LEU 22 21.697 13.198 -2.855 167 HB3 LEU 22 HB3 LEU 22 22.902 12.061 -2.259 168 HG LEU 22 HG LEU 22 24.373 14.019 -1.667 169 HD11 LEU 22 HD11 LEU 22 23.250 16.223 -1.446 170 HD12 LEU 22 HD12 LEU 22 23.377 15.738 -3.135 171 HD13 LEU 22 HD13 LEU 22 21.819 15.577 -2.299 172 HD21 LEU 22 HD21 LEU 22 23.038 12.861 0.008 173 HD22 LEU 22 HD22 LEU 22 23.045 14.601 0.341 174 HD23 LEU 22 HD23 LEU 22 21.615 13.838 -0.395 175 H ARG 23 H ARG 23 24.516 10.715 -3.643 176 HA ARG 23 HA ARG 23 27.250 11.499 -3.159 177 HB2 ARG 23 HB2 ARG 23 26.155 9.468 -2.251 178 HB3 ARG 23 HB3 ARG 23 26.068 8.770 -3.873 179 HG2 ARG 23 HG2 ARG 23 28.545 8.770 -4.013 180 HG3 ARG 23 HG3 ARG 23 28.644 9.543 -2.417 181 HD2 ARG 23 HD2 ARG 23 27.538 7.578 -1.402 182 HD3 ARG 23 HD3 ARG 23 27.423 6.813 -3.005 183 HE ARG 23 HE ARG 23 30.147 7.502 -2.537 184 HH11 ARG 23 HH21 ARG 23 27.825 5.198 -1.263 185 HH12 ARG 23 HH22 ARG 23 29.068 4.062 -0.809 186 HH21 ARG 23 HH11 ARG 23 31.675 6.014 -1.934 187 HH22 ARG 23 HH12 ARG 23 31.197 4.525 -1.178 188 H TYR 24 H TYR 24 25.689 10.036 -6.061 189 HA TYR 24 HA TYR 24 28.012 9.853 -7.665 190 HB2 TYR 24 HB2 TYR 24 25.969 8.674 -8.163 191 HB3 TYR 24 HB3 TYR 24 25.062 10.175 -8.301 192 HD1 TYR 24 HD2 TYR 24 28.097 8.549 -9.857 193 HD2 TYR 24 HD1 TYR 24 24.523 10.905 -10.442 194 HE1 TYR 24 HE2 TYR 24 28.523 8.587 -12.309 195 HE2 TYR 24 HE1 TYR 24 24.955 10.926 -12.901 196 HH TYR 24 HH TYR 24 27.789 9.306 -14.371 197 H THR 25 H THR 25 25.703 12.599 -7.382 198 HA THR 25 HA THR 25 27.189 14.172 -9.369 199 HB THR 25 HB THR 25 25.559 15.918 -8.963 200 HG1 THR 25 HG1 THR 25 24.266 14.150 -7.166 201 HG21 THR 25 HG21 THR 25 24.233 13.184 -9.274 202 HG22 THR 25 HG22 THR 25 23.550 14.743 -9.747 203 HG23 THR 25 HG23 THR 25 24.991 14.125 -10.568 204 H ASN 26 H ASN 26 27.621 13.683 -6.027 205 HA ASN 26 HA ASN 26 28.833 14.688 -4.435 206 HB2 ASN 26 HB2 ASN 26 30.414 13.875 -6.274 207 HB3 ASN 26 HB3 ASN 26 30.660 15.565 -6.678 208 HD21 ASN 26 HD22 ASN 26 31.270 16.955 -4.600 209 HD22 ASN 26 HD21 ASN 26 32.481 16.177 -3.568 210 H SER 27 H SER 27 26.677 16.222 -5.045 211 HA SER 27 HA SER 27 27.646 18.959 -4.283 212 HB2 SER 27 HB2 SER 27 26.845 18.743 -6.692 213 HB3 SER 27 HB3 SER 27 25.227 18.458 -6.030 214 HG SER 27 HG SER 27 26.913 20.752 -5.695 215 H THR 28 H THR 28 25.341 20.225 -3.632 216 HA THR 28 HA THR 28 24.680 18.846 -1.101 217 HB THR 28 HB THR 28 23.822 20.917 -0.304 218 HG1 THR 28 HG1 THR 28 23.844 22.754 -1.731 219 HG21 THR 28 HG21 THR 28 26.276 21.640 -1.946 220 HG22 THR 28 HG22 THR 28 25.724 22.384 -0.427 221 HG23 THR 28 HG23 THR 28 26.329 20.714 -0.420 222 H GLU 29 H GLU 29 22.482 18.793 -0.230 223 HA GLU 29 HA GLU 29 20.557 17.701 -2.072 224 HB2 GLU 29 HB2 GLU 29 20.113 18.819 0.730 225 HB3 GLU 29 HB3 GLU 29 19.041 17.732 -0.165 226 HG2 GLU 29 HG2 GLU 29 20.719 15.972 -0.157 227 HG3 GLU 29 HG3 GLU 29 21.853 16.999 0.726 228 H GLN 30 H GLN 30 21.032 20.997 -0.778 229 HA GLN 30 HA GLN 30 18.638 22.142 -1.930 230 HB2 GLN 30 HB2 GLN 30 21.310 23.372 -1.128 231 HB3 GLN 30 HB3 GLN 30 19.912 24.296 -1.693 232 HG2 GLN 30 HG2 GLN 30 18.544 23.419 0.179 233 HG3 GLN 30 HG3 GLN 30 19.928 22.510 0.780 234 HE21 GLN 30 HE22 GLN 30 18.953 24.061 2.673 235 HE22 GLN 30 HE21 GLN 30 19.879 25.545 2.844 236 H GLN 31 H GLN 31 22.042 21.887 -3.203 237 HA GLN 31 HA GLN 31 21.392 23.136 -5.703 238 HB2 GLN 31 HB2 GLN 31 23.602 21.270 -4.818 239 HB3 GLN 31 HB3 GLN 31 23.507 21.898 -6.461 240 HG2 GLN 31 HG2 GLN 31 23.506 23.793 -4.090 241 HG3 GLN 31 HG3 GLN 31 24.998 23.155 -4.775 242 HE21 GLN 31 HE22 GLN 31 22.155 25.258 -5.515 243 HE22 GLN 31 HE21 GLN 31 22.947 25.995 -6.898 244 H PHE 32 H PHE 32 21.080 19.705 -4.674 245 HA PHE 32 HA PHE 32 20.313 18.792 -7.306 246 HB2 PHE 32 HB2 PHE 32 21.170 17.303 -5.565 247 HB3 PHE 32 HB3 PHE 32 19.796 17.675 -4.539 248 HD1 PHE 32 HD1 PHE 32 19.151 17.072 -8.172 249 HD2 PHE 32 HD2 PHE 32 19.484 15.249 -4.270 250 HE1 PHE 32 HE1 PHE 32 17.888 15.109 -8.973 251 HE2 PHE 32 HE2 PHE 32 18.256 13.268 -5.112 252 HZ PHE 32 HZ PHE 32 17.405 13.214 -7.439 253 H LEU 33 H LEU 33 18.334 19.964 -4.498 254 HA LEU 33 HA LEU 33 15.814 19.696 -5.829 255 HB2 LEU 33 HB2 LEU 33 16.143 19.952 -3.421 256 HB3 LEU 33 HB3 LEU 33 16.758 21.579 -3.626 257 HG LEU 33 HG LEU 33 14.449 21.383 -2.706 258 HD11 LEU 33 HD11 LEU 33 15.258 23.466 -3.857 259 HD12 LEU 33 HD12 LEU 33 14.396 22.925 -5.316 260 HD13 LEU 33 HD13 LEU 33 13.506 23.239 -3.825 261 HD21 LEU 33 HD21 LEU 33 12.554 20.937 -4.180 262 HD22 LEU 33 HD22 LEU 33 13.636 20.575 -5.532 263 HD23 LEU 33 HD23 LEU 33 13.612 19.516 -4.100 264 H GLU 34 H GLU 34 18.107 22.436 -5.748 265 HA GLU 34 HA GLU 34 16.599 24.214 -7.397 266 HB2 GLU 34 HB2 GLU 34 19.568 23.916 -6.812 267 HB3 GLU 34 HB3 GLU 34 18.930 25.203 -7.840 268 HG2 GLU 34 HG2 GLU 34 17.582 26.085 -6.024 269 HG3 GLU 34 HG3 GLU 34 18.055 24.776 -4.954 270 H ALA 35 H ALA 35 19.049 21.755 -8.333 271 HA ALA 35 HA ALA 35 18.922 22.343 -11.150 272 HB1 ALA 35 HB1 ALA 35 20.790 21.137 -10.097 273 HB2 ALA 35 HB2 ALA 35 19.710 19.780 -9.687 274 HB3 ALA 35 HB3 ALA 35 20.061 20.168 -11.390 275 H MET 36 H MET 36 17.064 20.039 -9.104 276 HA MET 36 HA MET 36 15.493 18.921 -11.271 277 HB2 MET 36 HB2 MET 36 15.159 19.123 -8.250 278 HB3 MET 36 HB3 MET 36 13.945 18.364 -9.273 279 HG2 MET 36 HG2 MET 36 16.854 17.524 -9.364 280 HG3 MET 36 HG3 MET 36 15.730 16.842 -8.207 281 HE1 MET 36 HE1 MET 36 13.310 14.671 -10.189 282 HE2 MET 36 HE2 MET 36 13.966 15.161 -8.609 283 HE3 MET 36 HE3 MET 36 13.015 16.310 -9.569 284 H GLU 37 H GLU 37 14.840 21.705 -9.051 285 HA GLU 37 HA GLU 37 12.300 22.348 -10.213 286 HB2 GLU 37 HB2 GLU 37 13.122 23.118 -8.015 287 HB3 GLU 37 HB3 GLU 37 14.337 24.131 -8.805 288 HG2 GLU 37 HG2 GLU 37 12.558 25.481 -9.846 289 HG3 GLU 37 HG3 GLU 37 11.322 24.402 -9.189 290 H SER 38 H SER 38 15.631 23.433 -11.052 291 HA SER 38 HA SER 38 14.834 25.280 -13.113 292 HB2 SER 38 HB2 SER 38 17.453 23.753 -12.782 293 HB3 SER 38 HB3 SER 38 17.193 25.170 -13.814 294 HG SER 38 HG SER 38 17.108 24.998 -10.980 295 H THR 39 H THR 39 15.025 21.783 -13.176 296 HA THR 39 HA THR 39 14.891 21.775 -16.173 297 HB THR 39 HB THR 39 15.728 19.462 -16.053 298 HG1 THR 39 HG1 THR 39 16.355 20.008 -13.358 299 HG21 THR 39 HG21 THR 39 18.048 19.974 -15.349 300 HG22 THR 39 HG22 THR 39 17.368 21.250 -16.384 301 HG23 THR 39 HG23 THR 39 17.499 21.503 -14.636 302 H GLY 40 H GLY 40 12.751 21.622 -13.680 303 HA2 GLY 40 HA2 GLY 40 10.500 21.162 -13.780 304 HA3 GLY 40 HA3 GLY 40 10.697 20.537 -15.421 305 H GLY 41 H GLY 41 12.550 19.231 -12.694 306 HA2 GLY 41 HA2 GLY 41 12.352 17.295 -11.475 307 HA3 GLY 41 HA3 GLY 41 10.722 17.042 -12.114 308 H ARG 42 H ARG 42 13.082 17.357 -14.627 309 HA ARG 42 HA ARG 42 12.933 14.454 -15.235 310 HB2 ARG 42 HB2 ARG 42 13.829 16.955 -16.675 311 HB3 ARG 42 HB3 ARG 42 14.555 15.430 -17.163 312 HG2 ARG 42 HG2 ARG 42 11.541 15.746 -16.992 313 HG3 ARG 42 HG3 ARG 42 12.476 16.189 -18.434 314 HD2 ARG 42 HD2 ARG 42 13.420 13.853 -18.501 315 HD3 ARG 42 HD3 ARG 42 12.336 13.425 -17.158 316 HE ARG 42 HE ARG 42 10.811 14.636 -19.266 317 HH11 ARG 42 HH22 ARG 42 12.386 11.559 -18.617 318 HH12 ARG 42 HH21 ARG 42 11.320 10.700 -19.693 319 HH21 ARG 42 HH12 ARG 42 9.512 13.473 -20.613 320 HH22 ARG 42 HH11 ARG 42 9.746 11.760 -20.798 321 H VAL 43 H VAL 43 14.104 13.317 -13.809 322 HA VAL 43 HA VAL 43 16.340 14.189 -12.374 323 HB VAL 43 HB VAL 43 15.627 11.334 -13.140 324 HG11 VAL 43 HG11 VAL 43 17.412 12.402 -10.899 325 HG12 VAL 43 HG12 VAL 43 16.845 10.722 -11.046 326 HG13 VAL 43 HG13 VAL 43 17.930 11.384 -12.264 327 HG21 VAL 43 HG21 VAL 43 14.529 11.274 -10.935 328 HG22 VAL 43 HG22 VAL 43 14.971 12.969 -10.648 329 HG23 VAL 43 HG23 VAL 43 13.803 12.546 -11.918 330 H ARG 44 H ARG 44 16.452 12.449 -15.558 331 HA ARG 44 HA ARG 44 19.295 12.270 -15.641 332 HB2 ARG 44 HB2 ARG 44 19.071 11.756 -17.951 333 HB3 ARG 44 HB3 ARG 44 17.802 10.951 -17.044 334 HG2 ARG 44 HG2 ARG 44 16.156 12.720 -17.829 335 HG3 ARG 44 HG3 ARG 44 17.455 13.421 -18.814 336 HD2 ARG 44 HD2 ARG 44 16.445 10.562 -19.058 337 HD3 ARG 44 HD3 ARG 44 15.931 11.917 -20.085 338 HE ARG 44 HE ARG 44 18.683 11.944 -20.331 339 HH11 ARG 44 HH12 ARG 44 16.242 9.534 -21.019 340 HH12 ARG 44 HH11 ARG 44 17.194 8.782 -22.270 341 HH21 ARG 44 HH22 ARG 44 19.874 10.923 -21.904 342 HH22 ARG 44 HH21 ARG 44 19.202 9.568 -22.760 343 H ILE 45 H ILE 45 17.196 14.947 -16.651 344 HA ILE 45 HA ILE 45 19.405 16.485 -17.820 345 HB ILE 45 HB ILE 45 16.632 17.486 -17.076 346 HG12 ILE 45 HG12 ILE 45 17.593 16.267 -19.711 347 HG13 ILE 45 HG13 ILE 45 16.420 15.546 -18.617 348 HG21 ILE 45 HG21 ILE 45 18.626 18.502 -19.164 349 HG22 ILE 45 HG22 ILE 45 17.096 19.268 -18.692 350 HG23 ILE 45 HG23 ILE 45 18.440 19.219 -17.562 351 HD11 ILE 45 HD11 ILE 45 15.190 16.484 -20.411 352 HD12 ILE 45 HD12 ILE 45 14.901 17.526 -19.005 353 HD13 ILE 45 HD13 ILE 45 16.017 18.038 -20.293 354 H ALA 46 H ALA 46 17.649 16.403 -14.706 355 HA ALA 46 HA ALA 46 18.893 18.657 -13.506 356 HB1 ALA 46 HB1 ALA 46 17.856 16.114 -12.175 357 HB2 ALA 46 HB2 ALA 46 18.082 17.701 -11.414 358 HB3 ALA 46 HB3 ALA 46 16.849 17.480 -12.671 359 H ILE 47 H ILE 47 19.844 15.144 -13.316 360 HA ILE 47 HA ILE 47 22.235 15.772 -11.825 361 HB ILE 47 HB ILE 47 22.908 13.503 -12.076 362 HG12 ILE 47 HG12 ILE 47 20.738 13.208 -14.171 363 HG13 ILE 47 HG13 ILE 47 22.476 13.052 -14.402 364 HG21 ILE 47 HG21 ILE 47 21.076 12.461 -10.931 365 HG22 ILE 47 HG22 ILE 47 21.089 14.175 -10.486 366 HG23 ILE 47 HG23 ILE 47 19.896 13.564 -11.648 367 HD11 ILE 47 HD11 ILE 47 20.678 11.160 -12.844 368 HD12 ILE 47 HD12 ILE 47 21.529 10.852 -14.368 369 HD13 ILE 47 HD13 ILE 47 22.456 11.060 -12.867 370 H ALA 48 H ALA 48 21.648 15.408 -15.382 371 HA ALA 48 HA ALA 48 24.337 15.747 -16.194 372 HB1 ALA 48 HB1 ALA 48 22.540 15.085 -17.698 373 HB2 ALA 48 HB2 ALA 48 21.701 16.627 -17.454 374 HB3 ALA 48 HB3 ALA 48 23.266 16.582 -18.304 375 H LYS 49 H LYS 49 21.868 18.313 -15.499 376 HA LYS 49 HA LYS 49 23.630 20.521 -16.041 377 HB2 LYS 49 HB2 LYS 49 21.073 20.486 -15.963 378 HB3 LYS 49 HB3 LYS 49 21.190 20.465 -14.206 379 HG2 LYS 49 HG2 LYS 49 20.814 22.724 -14.837 380 HG3 LYS 49 HG3 LYS 49 22.511 22.652 -14.374 381 HD2 LYS 49 HD2 LYS 49 23.125 22.489 -16.823 382 HD3 LYS 49 HD3 LYS 49 21.399 22.606 -17.230 383 HE2 LYS 49 HE2 LYS 49 21.321 24.819 -16.037 384 HE3 LYS 49 HE3 LYS 49 23.059 24.677 -15.714 385 HZ1 LYS 49 HZ1 LYS 49 22.621 26.033 -17.702 386 HZ2 LYS 49 HZ2 LYS 49 23.434 24.688 -18.140 387 HZ3 LYS 49 HZ3 LYS 49 21.827 24.811 -18.432 388 H LEU 50 H LEU 50 22.843 18.793 -13.019 389 HA LEU 50 HA LEU 50 24.422 20.434 -11.296 390 HB2 LEU 50 HB2 LEU 50 22.519 18.903 -10.729 391 HB3 LEU 50 HB3 LEU 50 23.571 17.521 -11.022 392 HG LEU 50 HG LEU 50 24.989 18.164 -9.106 393 HD11 LEU 50 HD11 LEU 50 23.017 20.488 -8.822 394 HD12 LEU 50 HD12 LEU 50 24.133 19.954 -7.556 395 HD13 LEU 50 HD13 LEU 50 24.778 20.599 -9.061 396 HD21 LEU 50 HD21 LEU 50 22.006 18.188 -8.476 397 HD22 LEU 50 HD22 LEU 50 22.950 16.737 -8.821 398 HD23 LEU 50 HD23 LEU 50 23.311 17.685 -7.371 399 H LEU 51 H LEU 51 25.297 17.486 -13.164 400 HA LEU 51 HA LEU 51 28.049 17.413 -12.224 401 HB2 LEU 51 HB2 LEU 51 26.591 16.256 -14.631 402 HB3 LEU 51 HB3 LEU 51 28.311 16.002 -14.370 403 HG LEU 51 HG LEU 51 26.217 15.203 -12.301 404 HD11 LEU 51 HD11 LEU 51 26.531 12.907 -13.152 405 HD12 LEU 51 HD12 LEU 51 25.838 13.964 -14.392 406 HD13 LEU 51 HD13 LEU 51 27.561 13.519 -14.461 407 HD21 LEU 51 HD21 LEU 51 29.146 14.470 -12.677 408 HD22 LEU 51 HD22 LEU 51 28.456 15.425 -11.342 409 HD23 LEU 51 HD23 LEU 51 28.054 13.708 -11.505 410 H SER 52 H SER 52 26.443 19.062 -14.963 411 HA SER 52 HA SER 52 28.802 19.982 -16.255 412 HB2 SER 52 HB2 SER 52 26.045 21.260 -16.191 413 HB3 SER 52 HB3 SER 52 27.357 21.696 -17.294 414 HG SER 52 HG SER 52 26.047 19.167 -17.105 415 H LYS 53 H LYS 53 27.339 21.186 -13.308 416 HA LYS 53 HA LYS 53 28.890 23.669 -13.187 417 HB2 LYS 53 HB2 LYS 53 27.350 22.074 -11.090 418 HB3 LYS 53 HB3 LYS 53 28.183 23.593 -10.754 419 HG2 LYS 53 HG2 LYS 53 26.831 24.763 -12.440 420 HG3 LYS 53 HG3 LYS 53 25.946 23.271 -12.795 421 HD2 LYS 53 HD2 LYS 53 25.144 23.161 -10.469 422 HD3 LYS 53 HD3 LYS 53 26.039 24.619 -10.048 423 HE2 LYS 53 HE2 LYS 53 23.829 24.496 -12.159 424 HE3 LYS 53 HE3 LYS 53 23.559 24.929 -10.470 425 HZ1 LYS 53 HZ1 LYS 53 25.289 26.466 -12.357 426 HZ2 LYS 53 HZ2 LYS 53 23.831 26.924 -11.797 427 HZ3 LYS 53 HZ3 LYS 53 25.092 26.825 -10.770 428 H GLN 54 H GLN 54 29.943 20.508 -13.030 429 HA GLN 54 HA GLN 54 31.712 19.406 -12.257 430 HB2 GLN 54 HB2 GLN 54 32.735 21.199 -13.671 431 HB3 GLN 54 HB3 GLN 54 33.188 22.038 -12.183 432 HG2 GLN 54 HG2 GLN 54 34.500 20.013 -11.483 433 HG3 GLN 54 HG3 GLN 54 34.013 19.202 -12.972 434 HE21 GLN 54 HE22 GLN 54 34.814 20.157 -15.076 435 HE22 GLN 54 HE21 GLN 54 36.309 21.081 -15.028 436 H THR 55 H THR 55 30.133 19.282 -10.404 437 HA THR 55 HA THR 55 29.810 18.841 -8.205 438 HB THR 55 HB THR 55 31.557 17.573 -7.166 439 HG1 THR 55 HG1 THR 55 33.382 18.849 -7.583 440 HG21 THR 55 HG21 THR 55 30.371 16.618 -9.177 441 HG22 THR 55 HG22 THR 55 31.721 17.180 -10.190 442 HG23 THR 55 HG23 THR 55 32.004 15.967 -8.928 443 H SER 56 H SER 56 29.939 21.618 -8.400 444 HA SER 56 HA SER 56 31.449 22.796 -6.264 445 HB2 SER 56 HB2 SER 56 28.832 23.663 -7.554 446 HB3 SER 56 HB3 SER 56 29.783 24.648 -6.423 447 HG SER 56 HG SER 56 30.310 25.142 -8.602 448 H GLY 57 H GLY 57 30.720 23.608 -4.235 449 HA2 GLY 57 HA2 GLY 57 29.373 23.723 -2.314 450 HA3 GLY 57 HA3 GLY 57 28.262 22.546 -2.995 451 H GLY 58 H GLY 58 28.452 21.905 -0.654 452 HA2 GLY 58 HA2 GLY 58 28.992 20.111 0.775 453 HA3 GLY 58 HA3 GLY 58 30.378 19.693 -0.223 454 H SER 59 H SER 59 30.731 19.666 2.438 455 HA SER 59 HA SER 59 32.541 21.929 3.037 456 HB2 SER 59 HB2 SER 59 31.472 22.361 5.207 457 HB3 SER 59 HB3 SER 59 30.373 22.693 3.861 458 HG SER 59 HG SER 59 29.344 21.502 5.554 459 H GLY 60 H GLY 60 33.801 21.636 5.005 460 HA2 GLY 60 HA2 GLY 60 35.028 20.454 6.561 461 HA3 GLY 60 HA3 GLY 60 34.017 19.042 6.305 462 H GLY 61 H GLY 61 36.513 18.483 6.743 463 HA2 GLY 61 HA2 GLY 61 38.235 18.304 4.386 464 HA3 GLY 61 HA3 GLY 61 38.507 17.580 5.965 465 H SER 62 H SER 62 39.316 15.967 4.185 466 HA SER 62 HA SER 62 37.367 14.220 2.951 467 HB2 SER 62 HB2 SER 62 39.291 12.799 2.444 468 HB3 SER 62 HB3 SER 62 39.624 14.495 2.058 469 HG SER 62 HG SER 62 41.400 13.697 3.147 470 H LYS 63 H LYS 63 36.928 12.043 3.446 471 HA LYS 63 HA LYS 63 36.113 10.408 4.783 472 HB2 LYS 63 HB2 LYS 63 37.944 9.025 5.758 473 HB3 LYS 63 HB3 LYS 63 38.114 9.515 4.094 474 HG2 LYS 63 HG2 LYS 63 40.258 9.609 5.070 475 HG3 LYS 63 HG3 LYS 63 39.759 11.245 4.722 476 HD2 LYS 63 HD2 LYS 63 39.115 11.405 7.251 477 HD3 LYS 63 HD3 LYS 63 39.895 9.839 7.421 478 HE2 LYS 63 HE2 LYS 63 41.529 11.430 8.031 479 HE3 LYS 63 HE3 LYS 63 42.001 10.881 6.423 480 HZ1 LYS 63 HZ1 LYS 63 41.021 12.945 5.505 481 HZ2 LYS 63 HZ2 LYS 63 40.507 13.403 6.985 482 HZ3 LYS 63 HZ3 LYS 63 42.110 13.327 6.663 483 H LEU 64 H LEU 64 35.502 12.807 6.054 484 HA LEU 64 HA LEU 64 35.776 12.491 8.913 485 HB2 LEU 64 HB2 LEU 64 34.153 14.355 9.042 486 HB3 LEU 64 HB3 LEU 64 35.600 14.657 8.105 487 HG LEU 64 HG LEU 64 34.305 14.379 5.988 488 HD11 LEU 64 HD11 LEU 64 31.815 14.601 6.108 489 HD12 LEU 64 HD12 LEU 64 32.392 13.031 6.646 490 HD13 LEU 64 HD13 LEU 64 31.896 14.247 7.848 491 HD21 LEU 64 HD21 LEU 64 33.182 16.551 6.163 492 HD22 LEU 64 HD22 LEU 64 33.194 16.444 7.940 493 HD23 LEU 64 HD23 LEU 64 34.720 16.586 7.038 494 H GLY 65 H GLY 65 33.942 12.368 10.437 495 HA2 GLY 65 HA2 GLY 65 32.549 9.858 10.099 496 HA3 GLY 65 HA3 GLY 65 32.441 10.945 11.477 497 H GLY 66 H GLY 66 30.311 9.447 10.219 498 HA2 GLY 66 HA2 GLY 66 28.588 11.196 8.671 499 HA3 GLY 66 HA3 GLY 66 28.153 9.655 9.392 500 H SER 67 H SER 67 26.375 11.712 9.321 501 HA SER 67 HA SER 67 25.965 12.460 12.185 502 HB2 SER 67 HB2 SER 67 25.554 14.271 9.777 503 HB3 SER 67 HB3 SER 67 25.046 14.639 11.433 504 HG SER 67 HG SER 67 27.092 15.578 10.902 505 H GLY 68 H GLY 68 23.774 12.776 12.817 506 HA2 GLY 68 HA2 GLY 68 21.855 10.982 11.630 507 HA3 GLY 68 HA3 GLY 68 21.565 12.103 12.955 508 H GLY 69 H GLY 69 19.711 11.512 10.901 509 HA2 GLY 69 HA2 GLY 69 18.745 14.074 10.143 510 HA3 GLY 69 HA3 GLY 69 19.589 13.377 8.759 511 H SER 70 H SER 70 17.211 13.778 8.075 512 HA SER 70 HA SER 70 15.175 13.025 7.418 513 HB2 SER 70 HB2 SER 70 16.631 10.369 7.351 514 HB3 SER 70 HB3 SER 70 15.164 10.786 6.447 515 HG SER 70 HG SER 70 17.113 11.054 5.210 516 H ARG 71 H ARG 71 15.145 13.335 10.165 517 HA ARG 71 HA ARG 71 14.033 10.993 11.507 518 HB2 ARG 71 HB2 ARG 71 14.235 13.911 12.371 519 HB3 ARG 71 HB3 ARG 71 13.702 12.584 13.405 520 HG2 ARG 71 HG2 ARG 71 15.914 11.443 13.068 521 HG3 ARG 71 HG3 ARG 71 16.452 12.826 12.110 522 HD2 ARG 71 HD2 ARG 71 17.327 13.092 14.318 523 HD3 ARG 71 HD3 ARG 71 16.069 14.318 14.071 524 HE ARG 71 HE ARG 71 15.005 11.914 15.305 525 HH11 ARG 71 HH11 ARG 71 16.846 14.772 16.156 526 HH12 ARG 71 HH12 ARG 71 16.330 14.722 17.819 527 HH21 ARG 71 HH21 ARG 71 14.370 11.918 17.436 528 HH22 ARG 71 HH22 ARG 71 14.963 13.143 18.518 529 H LYS 72 H LYS 72 12.550 13.529 9.684 530 HA LYS 72 HA LYS 72 9.928 13.424 10.888 531 HB2 LYS 72 HB2 LYS 72 10.735 15.374 9.621 532 HB3 LYS 72 HB3 LYS 72 10.871 14.401 8.161 533 HG2 LYS 72 HG2 LYS 72 8.910 15.772 8.013 534 HG3 LYS 72 HG3 LYS 72 8.420 14.089 8.117 535 HD2 LYS 72 HD2 LYS 72 7.945 14.477 10.613 536 HD3 LYS 72 HD3 LYS 72 8.378 16.168 10.353 537 HE2 LYS 72 HE2 LYS 72 6.018 16.103 10.262 538 HE3 LYS 72 HE3 LYS 72 6.552 16.279 8.586 539 HZ1 LYS 72 HZ1 LYS 72 4.809 14.580 8.810 540 HZ2 LYS 72 HZ2 LYS 72 6.189 13.836 8.326 541 HZ3 LYS 72 HZ3 LYS 72 5.709 13.715 9.878 542 H ASP 73 H ASP 73 8.196 12.174 10.500 543 HA ASP 73 HA ASP 73 8.441 9.741 8.953 544 HB2 ASP 73 HB2 ASP 73 6.331 9.161 9.855 545 HB3 ASP 73 HB3 ASP 73 7.248 9.931 11.142 546 H LEU 74 H LEU 74 7.195 9.052 7.191 547 HA LEU 74 HA LEU 74 5.417 10.881 5.784 548 HB2 LEU 74 HB2 LEU 74 6.557 11.058 3.760 549 HB3 LEU 74 HB3 LEU 74 7.735 11.493 4.974 550 HG LEU 74 HG LEU 74 7.602 8.838 3.466 551 HD11 LEU 74 HD11 LEU 74 8.276 10.795 2.103 552 HD12 LEU 74 HD12 LEU 74 9.561 11.160 3.269 553 HD13 LEU 74 HD13 LEU 74 9.614 9.652 2.333 554 HD21 LEU 74 HD21 LEU 74 9.672 9.846 5.465 555 HD22 LEU 74 HD22 LEU 74 8.648 8.398 5.623 556 HD23 LEU 74 HD23 LEU 74 9.900 8.451 4.385 557 H SER 75 H SER 75 4.243 9.870 4.005 558 HA SER 75 HA SER 75 3.377 7.221 4.636 559 HB2 SER 75 HB2 SER 75 2.835 8.857 2.130 560 HB3 SER 75 HB3 SER 75 1.929 7.428 2.672 561 HG SER 75 HG SER 75 0.906 9.392 3.328 562 H VAL 76 H VAL 76 3.661 5.244 3.660 563 HA VAL 76 HA VAL 76 6.286 4.861 2.559 564 HB VAL 76 HB VAL 76 5.771 2.452 2.587 565 HG11 VAL 76 HG11 VAL 76 5.602 2.256 5.004 566 HG12 VAL 76 HG12 VAL 76 6.630 3.634 4.581 567 HG13 VAL 76 HG13 VAL 76 4.962 3.907 5.136 568 HG21 VAL 76 HG21 VAL 76 3.363 2.434 2.071 569 HG22 VAL 76 HG22 VAL 76 3.704 1.614 3.590 570 HG23 VAL 76 HG23 VAL 76 3.012 3.244 3.617 571 H LYS 77 H LYS 77 3.147 4.872 0.994 572 HA LYS 77 HA LYS 77 4.382 5.081 -1.645 573 HB2 LYS 77 HB2 LYS 77 3.313 3.150 -2.660 574 HB3 LYS 77 HB3 LYS 77 4.296 2.623 -1.305 575 HG2 LYS 77 HG2 LYS 77 2.156 2.589 0.103 576 HG3 LYS 77 HG3 LYS 77 1.258 2.843 -1.402 577 HD2 LYS 77 HD2 LYS 77 2.206 0.774 -2.351 578 HD3 LYS 77 HD3 LYS 77 3.222 0.562 -0.911 579 HE2 LYS 77 HE2 LYS 77 1.093 0.490 0.480 580 HE3 LYS 77 HE3 LYS 77 0.175 0.456 -1.035 581 HZ1 LYS 77 HZ1 LYS 77 2.207 -1.557 -0.188 582 HZ2 LYS 77 HZ2 LYS 77 0.586 -1.791 -0.178 583 HZ3 LYS 77 HZ3 LYS 77 1.369 -1.620 -1.604 584 H GLY 78 H GLY 78 2.736 5.354 -3.387 585 HA2 GLY 78 HA2 GLY 78 0.025 6.095 -2.832 586 HA3 GLY 78 HA3 GLY 78 1.029 7.548 -2.899 587 H MET 79 H MET 79 -0.868 7.509 -4.697 588 HA MET 79 HA MET 79 -0.549 5.960 -7.051 589 HB2 MET 79 HB2 MET 79 -1.905 8.655 -6.630 590 HB3 MET 79 HB3 MET 79 -2.048 7.676 -8.095 591 HG2 MET 79 HG2 MET 79 -3.018 5.818 -6.810 592 HG3 MET 79 HG3 MET 79 -2.841 6.729 -5.316 593 HE1 MET 79 HE1 MET 79 -4.214 7.870 -8.944 594 HE2 MET 79 HE2 MET 79 -4.845 6.234 -8.626 595 HE3 MET 79 HE3 MET 79 -5.944 7.627 -8.644 596 H LEU 80 H LEU 80 1.132 8.909 -6.153 597 HA LEU 80 HA LEU 80 1.908 9.850 -8.682 598 HB2 LEU 80 HB2 LEU 80 2.037 11.006 -6.451 599 HB3 LEU 80 HB3 LEU 80 3.434 10.008 -6.048 600 HG LEU 80 HG LEU 80 4.726 11.065 -7.879 601 HD11 LEU 80 HD11 LEU 80 2.185 12.685 -8.336 602 HD12 LEU 80 HD12 LEU 80 3.775 13.119 -8.987 603 HD13 LEU 80 HD13 LEU 80 2.999 11.622 -9.505 604 HD21 LEU 80 HD21 LEU 80 3.346 13.097 -6.088 605 HD22 LEU 80 HD22 LEU 80 4.706 12.061 -5.609 606 HD23 LEU 80 HD23 LEU 80 4.929 13.281 -6.879 607 H TYR 81 H TYR 81 2.996 6.931 -7.188 608 HA TYR 81 HA TYR 81 5.549 6.556 -8.397 609 HB2 TYR 81 HB2 TYR 81 4.638 5.098 -6.679 610 HB3 TYR 81 HB3 TYR 81 3.282 4.658 -7.708 611 HD1 TYR 81 HD1 TYR 81 7.062 4.583 -7.770 612 HD2 TYR 81 HD2 TYR 81 3.373 2.614 -8.837 613 HE1 TYR 81 HE1 TYR 81 8.348 2.641 -8.644 614 HE2 TYR 81 HE2 TYR 81 4.658 0.682 -9.715 615 HH TYR 81 HH TYR 81 6.743 -0.236 -10.075 616 H ASP 82 H ASP 82 2.367 6.728 -9.937 617 HA ASP 82 HA ASP 82 3.058 5.346 -12.359 618 HB2 ASP 82 HB2 ASP 82 1.060 6.010 -13.187 619 HB3 ASP 82 HB3 ASP 82 0.721 6.038 -11.468 620 H SER 83 H SER 83 4.054 8.376 -11.147 621 HA SER 83 HA SER 83 5.643 8.944 -13.598 622 HB2 SER 83 HB2 SER 83 4.064 10.992 -11.988 623 HB3 SER 83 HB3 SER 83 5.366 11.401 -13.120 624 HG SER 83 HG SER 83 3.251 11.502 -14.087 625 H ASP 84 H ASP 84 7.054 7.556 -12.159 626 HA ASP 84 HA ASP 84 7.678 8.256 -9.551 627 HB2 ASP 84 HB2 ASP 84 8.101 6.083 -10.713 628 HB3 ASP 84 HB3 ASP 84 9.518 6.818 -11.475 629 H SER 85 H SER 85 9.107 9.699 -12.447 630 HA SER 85 HA SER 85 11.360 11.038 -11.278 631 HB2 SER 85 HB2 SER 85 10.936 12.681 -13.166 632 HB3 SER 85 HB3 SER 85 11.068 10.989 -13.664 633 HG SER 85 HG SER 85 9.246 12.009 -14.646 634 H GLN 86 H GLN 86 7.896 11.887 -11.420 635 HA GLN 86 HA GLN 86 8.195 14.380 -9.935 636 HB2 GLN 86 HB2 GLN 86 5.704 12.756 -10.564 637 HB3 GLN 86 HB3 GLN 86 5.754 14.374 -9.854 638 HG2 GLN 86 HG2 GLN 86 6.886 15.241 -11.884 639 HG3 GLN 86 HG3 GLN 86 6.799 13.640 -12.625 640 HE21 GLN 86 HE22 GLN 86 5.696 15.425 -14.201 641 HE22 GLN 86 HE21 GLN 86 3.943 15.443 -14.053 642 H GLN 87 H GLN 87 7.550 10.955 -9.036 643 HA GLN 87 HA GLN 87 7.014 11.565 -6.265 644 HB2 GLN 87 HB2 GLN 87 6.390 9.410 -7.231 645 HB3 GLN 87 HB3 GLN 87 8.095 9.014 -7.500 646 HG2 GLN 87 HG2 GLN 87 8.554 8.981 -5.133 647 HG3 GLN 87 HG3 GLN 87 6.963 9.648 -4.752 648 HE21 GLN 87 HE22 GLN 87 8.102 6.752 -6.757 649 HE22 GLN 87 HE21 GLN 87 7.151 5.657 -5.755 650 H ILE 88 H ILE 88 10.133 10.850 -7.971 651 HA ILE 88 HA ILE 88 11.772 11.210 -5.634 652 HB ILE 88 HB ILE 88 12.282 11.281 -8.614 653 HG12 ILE 88 HG12 ILE 88 14.026 9.605 -7.963 654 HG13 ILE 88 HG13 ILE 88 13.539 9.773 -6.280 655 HG21 ILE 88 HG21 ILE 88 14.707 11.741 -8.193 656 HG22 ILE 88 HG22 ILE 88 13.695 13.136 -7.880 657 HG23 ILE 88 HG23 ILE 88 14.317 12.180 -6.514 658 HD11 ILE 88 HD11 ILE 88 11.278 8.831 -6.920 659 HD12 ILE 88 HD12 ILE 88 11.907 8.628 -8.577 660 HD13 ILE 88 HD13 ILE 88 12.633 7.732 -7.240 661 H LEU 89 H LEU 89 10.742 13.619 -8.127 662 HA LEU 89 HA LEU 89 11.884 15.873 -6.873 663 HB2 LEU 89 HB2 LEU 89 10.814 15.921 -9.132 664 HB3 LEU 89 HB3 LEU 89 9.253 15.589 -8.402 665 HG LEU 89 HG LEU 89 9.287 17.797 -7.253 666 HD11 LEU 89 HD11 LEU 89 11.741 18.352 -8.967 667 HD12 LEU 89 HD12 LEU 89 10.885 19.510 -7.940 668 HD13 LEU 89 HD13 LEU 89 11.759 18.171 -7.189 669 HD21 LEU 89 HD21 LEU 89 8.170 17.497 -9.429 670 HD22 LEU 89 HD22 LEU 89 8.844 19.124 -9.256 671 HD23 LEU 89 HD23 LEU 89 9.675 17.924 -10.266 672 H ASN 90 H ASN 90 8.616 14.489 -6.232 673 HA ASN 90 HA ASN 90 7.877 16.370 -4.248 674 HB2 ASN 90 HB2 ASN 90 6.265 14.909 -5.338 675 HB3 ASN 90 HB3 ASN 90 7.090 13.461 -4.745 676 HD21 ASN 90 HD22 ASN 90 5.059 16.226 -3.718 677 HD22 ASN 90 HD21 ASN 90 4.592 15.456 -2.210 678 H ARG 91 H ARG 91 9.493 13.136 -3.776 679 HA ARG 91 HA ARG 91 9.734 13.531 -0.885 680 HB2 ARG 91 HB2 ARG 91 10.722 11.540 -2.920 681 HB3 ARG 91 HB3 ARG 91 11.673 11.696 -1.447 682 HG2 ARG 91 HG2 ARG 91 9.940 9.906 -1.333 683 HG3 ARG 91 HG3 ARG 91 9.868 11.091 -0.029 684 HD2 ARG 91 HD2 ARG 91 7.975 12.214 -1.054 685 HD3 ARG 91 HD3 ARG 91 8.054 11.148 -2.472 686 HE ARG 91 HE ARG 91 7.800 9.441 -0.251 687 HH11 ARG 91 HH11 ARG 91 5.777 11.966 -1.658 688 HH12 ARG 91 HH12 ARG 91 4.311 11.200 -1.122 689 HH21 ARG 91 HH21 ARG 91 5.826 8.608 0.550 690 HH22 ARG 91 HH22 ARG 91 4.354 9.350 0.010 691 H LEU 92 H LEU 92 11.927 14.386 -3.599 692 HA LEU 92 HA LEU 92 14.029 15.283 -1.855 693 HB2 LEU 92 HB2 LEU 92 14.259 14.776 -4.287 694 HB3 LEU 92 HB3 LEU 92 13.258 16.176 -4.668 695 HG LEU 92 HG LEU 92 15.006 17.671 -3.644 696 HD11 LEU 92 HD11 LEU 92 16.637 15.101 -3.521 697 HD12 LEU 92 HD12 LEU 92 17.263 16.752 -3.279 698 HD13 LEU 92 HD13 LEU 92 16.119 16.067 -2.116 699 HD21 LEU 92 HD21 LEU 92 16.618 17.351 -5.511 700 HD22 LEU 92 HD22 LEU 92 15.890 15.773 -5.856 701 HD23 LEU 92 HD23 LEU 92 14.932 17.261 -6.045 702 H ARG 93 H ARG 93 11.148 17.003 -3.199 703 HA ARG 93 HA ARG 93 11.818 19.587 -2.139 704 HB2 ARG 93 HB2 ARG 93 10.068 19.056 -3.913 705 HB3 ARG 93 HB3 ARG 93 9.029 18.441 -2.622 706 HG2 ARG 93 HG2 ARG 93 9.317 20.790 -1.518 707 HG3 ARG 93 HG3 ARG 93 10.069 21.273 -3.044 708 HD2 ARG 93 HD2 ARG 93 7.797 21.934 -3.191 709 HD3 ARG 93 HD3 ARG 93 7.936 20.486 -4.209 710 HE ARG 93 HE ARG 93 7.170 19.738 -1.514 711 HH11 ARG 93 HH11 ARG 93 5.658 21.268 -4.300 712 HH12 ARG 93 HH12 ARG 93 4.064 20.828 -3.744 713 HH21 ARG 93 HH21 ARG 93 5.290 19.283 -0.888 714 HH22 ARG 93 HH22 ARG 93 3.827 19.699 -1.795 715 H GLU 94 H GLU 94 9.746 16.972 -0.729 716 HA GLU 94 HA GLU 94 9.258 18.459 1.693 717 HB2 GLU 94 HB2 GLU 94 9.162 15.448 1.258 718 HB3 GLU 94 HB3 GLU 94 8.483 16.329 2.625 719 HG2 GLU 94 HG2 GLU 94 7.583 16.456 -0.275 720 HG3 GLU 94 HG3 GLU 94 6.712 15.765 1.077 721 H ARG 95 H ARG 95 11.749 15.971 0.918 722 HA ARG 95 HA ARG 95 12.981 15.911 3.488 723 HB2 ARG 95 HB2 ARG 95 13.283 14.197 1.791 724 HB3 ARG 95 HB3 ARG 95 14.031 15.348 0.683 725 HG2 ARG 95 HG2 ARG 95 15.982 15.580 2.086 726 HG3 ARG 95 HG3 ARG 95 15.256 14.581 3.371 727 HD2 ARG 95 HD2 ARG 95 15.431 12.602 2.095 728 HD3 ARG 95 HD3 ARG 95 15.615 13.479 0.565 729 HE ARG 95 HE ARG 95 17.843 14.312 1.886 730 HH11 ARG 95 HH11 ARG 95 16.751 10.942 1.465 731 HH12 ARG 95 HH12 ARG 95 18.433 10.425 1.439 732 HH21 ARG 95 HH21 ARG 95 19.718 13.551 1.813 733 HH22 ARG 95 HH22 ARG 95 20.067 11.816 1.549 734 H VAL 96 H VAL 96 13.651 18.089 0.708 735 HA VAL 96 HA VAL 96 15.837 19.408 2.150 736 HB VAL 96 HB VAL 96 14.515 19.964 -0.525 737 HG11 VAL 96 HG11 VAL 96 16.938 21.322 0.741 738 HG12 VAL 96 HG12 VAL 96 16.480 21.431 -0.975 739 HG13 VAL 96 HG13 VAL 96 15.409 22.101 0.254 740 HG21 VAL 96 HG21 VAL 96 17.239 18.872 0.307 741 HG22 VAL 96 HG22 VAL 96 15.918 17.884 -0.338 742 HG23 VAL 96 HG23 VAL 96 16.691 19.094 -1.369 743 H SER 97 H SER 97 12.505 20.451 1.193 744 HA SER 97 HA SER 97 12.925 23.022 2.490 745 HB2 SER 97 HB2 SER 97 10.454 21.883 1.158 746 HB3 SER 97 HB3 SER 97 10.695 23.557 1.679 747 HG SER 97 HG SER 97 11.218 23.362 -0.528 748 H GLY 98 H GLY 98 11.485 19.978 3.530 749 HA2 GLY 98 HA2 GLY 98 10.696 19.391 5.617 750 HA3 GLY 98 HA3 GLY 98 10.791 21.062 6.167 751 H SER 99 H SER 99 8.652 19.317 6.755 752 HA SER 99 HA SER 99 6.412 19.669 4.988 753 HB2 SER 99 HB2 SER 99 6.380 18.937 7.940 754 HB3 SER 99 HB3 SER 99 5.120 18.594 6.744 755 HG SER 99 HG SER 99 6.639 17.238 5.649 756 H THR 100 H THR 100 7.688 21.745 7.473 757 HA THR 100 HA THR 100 5.640 23.767 6.991 758 HB THR 100 HB THR 100 4.623 22.341 8.765 759 HG1 THR 100 HG1 THR 100 4.031 24.101 10.001 760 HG21 THR 100 HG21 THR 100 6.853 23.386 10.566 761 HG22 THR 100 HG22 THR 100 5.439 22.436 11.061 762 HG23 THR 100 HG23 THR 100 6.671 21.700 10.026 763 H ALA 101 H ALA 101 6.160 25.803 8.260 764 HA ALA 101 HA ALA 101 9.000 26.157 8.968 765 HB1 ALA 101 HB1 ALA 101 7.667 27.734 6.721 766 HB2 ALA 101 HB2 ALA 101 9.293 28.024 7.382 767 HB3 ALA 101 HB3 ALA 101 8.945 26.515 6.521 768 H GLN 102 H GLN 102 9.448 28.175 10.021 769 HA GLN 102 HA GLN 102 7.089 29.318 11.465 770 HB2 GLN 102 HB2 GLN 102 9.985 29.028 12.350 771 HB3 GLN 102 HB3 GLN 102 8.728 29.879 13.236 772 HG2 GLN 102 HG2 GLN 102 8.868 27.787 14.284 773 HG3 GLN 102 HG3 GLN 102 7.398 27.715 13.319 774 HE21 GLN 102 HE22 GLN 102 10.923 26.812 13.189 775 HE22 GLN 102 HE21 GLN 102 10.630 25.343 12.268 776 H SER 103 H SER 103 7.083 31.555 12.019 777 HA SER 103 HA SER 103 8.013 33.278 9.866 778 HB2 SER 103 HB2 SER 103 6.727 35.009 11.089 779 HB3 SER 103 HB3 SER 103 5.787 33.547 10.737 780 HG SER 103 HG SER 103 5.497 34.268 12.917 781 H ALA 104 H ALA 104 9.402 32.409 12.879 782 HA ALA 104 HA ALA 104 11.499 34.476 12.626 783 HB1 ALA 104 HB1 ALA 104 9.877 35.414 14.237 784 HB2 ALA 104 HB2 ALA 104 9.972 33.930 15.212 785 HB3 ALA 104 HB3 ALA 104 11.396 34.978 15.040 Start of MODEL 12 1 H1 SER 1 H1 SER 1 11.798 9.836 26.078 2 H2 SER 1 H2 SER 1 12.088 11.316 25.446 3 H3 SER 1 H3 SER 1 10.576 10.684 25.386 4 HA SER 1 HA SER 1 11.582 10.553 23.226 5 HB2 SER 1 HB2 SER 1 13.746 8.894 24.587 6 HB3 SER 1 HB3 SER 1 13.620 9.261 22.855 7 HG SER 1 HG SER 1 15.045 10.706 23.931 8 H VAL 2 H VAL 2 11.257 8.758 21.764 9 HA VAL 2 HA VAL 2 10.199 6.225 22.935 10 HB VAL 2 HB VAL 2 8.385 6.192 21.277 11 HG11 VAL 2 HG11 VAL 2 8.198 8.619 23.100 12 HG12 VAL 2 HG12 VAL 2 6.858 7.673 22.427 13 HG13 VAL 2 HG13 VAL 2 7.959 6.930 23.599 14 HG21 VAL 2 HG21 VAL 2 9.257 7.796 19.600 15 HG22 VAL 2 HG22 VAL 2 7.628 8.218 20.144 16 HG23 VAL 2 HG23 VAL 2 9.021 9.129 20.756 17 H SER 3 H SER 3 10.138 4.418 21.453 18 HA SER 3 HA SER 3 12.466 4.294 19.700 19 HB2 SER 3 HB2 SER 3 11.774 1.930 19.407 20 HB3 SER 3 HB3 SER 3 11.960 2.398 21.105 21 HG SER 3 HG SER 3 10.024 1.203 20.765 22 H ILE 4 H ILE 4 12.405 3.468 17.515 23 HA ILE 4 HA ILE 4 10.524 5.075 15.941 24 HB ILE 4 HB ILE 4 12.854 3.401 14.959 25 HG12 ILE 4 HG12 ILE 4 13.842 4.938 16.489 26 HG13 ILE 4 HG13 ILE 4 14.140 5.534 14.873 27 HG21 ILE 4 HG21 ILE 4 12.785 4.975 13.022 28 HG22 ILE 4 HG22 ILE 4 11.330 3.990 13.156 29 HG23 ILE 4 HG23 ILE 4 11.297 5.690 13.675 30 HD11 ILE 4 HD11 ILE 4 12.097 6.629 16.858 31 HD12 ILE 4 HD12 ILE 4 13.611 7.386 16.347 32 HD13 ILE 4 HD13 ILE 4 12.287 7.213 15.186 33 H LEU 5 H LEU 5 8.906 4.387 14.694 34 HA LEU 5 HA LEU 5 8.518 1.494 14.096 35 HB2 LEU 5 HB2 LEU 5 6.443 3.427 15.215 36 HB3 LEU 5 HB3 LEU 5 6.061 1.843 14.552 37 HG LEU 5 HG LEU 5 7.832 2.296 16.999 38 HD11 LEU 5 HD11 LEU 5 5.901 1.492 18.286 39 HD12 LEU 5 HD12 LEU 5 5.505 2.975 17.404 40 HD13 LEU 5 HD13 LEU 5 4.926 1.407 16.797 41 HD21 LEU 5 HD21 LEU 5 6.584 -0.251 15.853 42 HD22 LEU 5 HD22 LEU 5 8.319 0.143 15.869 43 HD23 LEU 5 HD23 LEU 5 7.465 -0.125 17.391 44 H ARG 6 H ARG 6 7.404 1.057 12.196 45 HA ARG 6 HA ARG 6 6.770 3.303 10.324 46 HB2 ARG 6 HB2 ARG 6 8.643 0.957 9.779 47 HB3 ARG 6 HB3 ARG 6 7.953 1.979 8.515 48 HG2 ARG 6 HG2 ARG 6 9.050 3.968 9.458 49 HG3 ARG 6 HG3 ARG 6 9.749 2.989 10.764 50 HD2 ARG 6 HD2 ARG 6 10.991 1.640 9.160 51 HD3 ARG 6 HD3 ARG 6 10.269 2.532 7.803 52 HE ARG 6 HE ARG 6 11.403 4.530 9.317 53 HH11 ARG 6 HH21 ARG 6 12.793 1.621 7.923 54 HH12 ARG 6 HH22 ARG 6 14.376 2.335 7.793 55 HH21 ARG 6 HH11 ARG 6 13.446 5.372 9.124 56 HH22 ARG 6 HH12 ARG 6 14.728 4.415 8.450 57 H SER 7 H SER 7 5.139 2.942 8.917 58 HA SER 7 HA SER 7 3.535 0.462 9.158 59 HB2 SER 7 HB2 SER 7 1.836 1.775 7.944 60 HB3 SER 7 HB3 SER 7 2.383 2.567 9.431 61 HG SER 7 HG SER 7 2.291 4.035 7.642 62 H SER 8 H SER 8 5.789 1.870 6.936 63 HA SER 8 HA SER 8 5.467 -0.352 5.031 64 HB2 SER 8 HB2 SER 8 3.894 1.373 4.207 65 HB3 SER 8 HB3 SER 8 5.208 2.561 4.171 66 HG SER 8 HG SER 8 4.682 1.421 2.129 67 H VAL 9 H VAL 9 7.212 -0.384 3.455 68 HA VAL 9 HA VAL 9 9.718 1.029 4.287 69 HB VAL 9 HB VAL 9 9.607 -1.392 4.882 70 HG11 VAL 9 HG11 VAL 9 8.446 -2.259 2.870 71 HG12 VAL 9 HG12 VAL 9 9.887 -1.891 1.893 72 HG13 VAL 9 HG13 VAL 9 9.971 -3.095 3.187 73 HG21 VAL 9 HG21 VAL 9 11.878 -0.753 2.972 74 HG22 VAL 9 HG22 VAL 9 11.756 -0.179 4.653 75 HG23 VAL 9 HG23 VAL 9 11.866 -1.913 4.308 76 H ASN 10 H ASN 10 7.450 0.973 1.838 77 HA ASN 10 HA ASN 10 8.972 0.703 -0.526 78 HB2 ASN 10 HB2 ASN 10 6.505 0.641 -0.355 79 HB3 ASN 10 HB3 ASN 10 6.462 2.358 0.024 80 HD21 ASN 10 HD22 ASN 10 6.233 3.759 -1.734 81 HD22 ASN 10 HD21 ASN 10 6.513 3.266 -3.396 82 H HIS 11 H HIS 11 8.702 3.518 1.572 83 HA HIS 11 HA HIS 11 9.824 5.498 -0.203 84 HB2 HIS 11 HB2 HIS 11 10.158 6.781 1.901 85 HB3 HIS 11 HB3 HIS 11 8.529 6.134 1.743 86 HD2 HIS 11 HD2 HIS 11 7.675 4.421 3.563 87 HE1 HIS 11 HE1 HIS 11 11.272 3.993 5.821 88 HE2 HIS 11 HE2 HIS 11 8.802 3.339 5.673 89 H ARG 12 H ARG 12 11.387 2.912 1.616 90 HA ARG 12 HA ARG 12 13.960 4.030 2.025 91 HB2 ARG 12 HB2 ARG 12 12.948 1.745 2.792 92 HB3 ARG 12 HB3 ARG 12 13.430 1.150 1.196 93 HG2 ARG 12 HG2 ARG 12 15.807 2.197 1.939 94 HG3 ARG 12 HG3 ARG 12 15.114 2.037 3.545 95 HD2 ARG 12 HD2 ARG 12 16.359 0.021 3.138 96 HD3 ARG 12 HD3 ARG 12 14.657 -0.404 3.029 97 HE ARG 12 HE ARG 12 14.931 -0.938 0.790 98 HH11 ARG 12 HH11 ARG 12 17.828 0.827 1.730 99 HH12 ARG 12 HH12 ARG 12 18.541 0.647 0.136 100 HH21 ARG 12 HH21 ARG 12 15.944 -1.071 -1.227 101 HH22 ARG 12 HH22 ARG 12 17.432 -0.183 -1.487 102 H GLU 13 H GLU 13 12.657 2.374 -0.864 103 HA GLU 13 HA GLU 13 15.125 2.431 -2.372 104 HB2 GLU 13 HB2 GLU 13 12.200 2.087 -3.112 105 HB3 GLU 13 HB3 GLU 13 13.510 2.001 -4.301 106 HG2 GLU 13 HG2 GLU 13 14.557 0.155 -3.013 107 HG3 GLU 13 HG3 GLU 13 13.238 0.217 -1.845 108 H VAL 14 H VAL 14 12.472 4.785 -2.007 109 HA VAL 14 HA VAL 14 13.399 6.524 -4.169 110 HB VAL 14 HB VAL 14 11.640 7.253 -1.795 111 HG11 VAL 14 HG11 VAL 14 11.978 8.552 -4.535 112 HG12 VAL 14 HG12 VAL 14 10.818 9.045 -3.283 113 HG13 VAL 14 HG13 VAL 14 12.547 9.221 -2.992 114 HG21 VAL 14 HG21 VAL 14 10.578 5.405 -3.024 115 HG22 VAL 14 HG22 VAL 14 9.732 6.912 -3.347 116 HG23 VAL 14 HG23 VAL 14 10.850 6.254 -4.563 117 H ASP 15 H ASP 15 13.835 6.507 -0.584 118 HA ASP 15 HA ASP 15 15.562 8.811 -0.508 119 HB2 ASP 15 HB2 ASP 15 14.412 7.915 1.463 120 HB3 ASP 15 HB3 ASP 15 15.338 6.413 1.348 121 H GLU 16 H GLU 16 16.299 5.287 -0.797 122 HA GLU 16 HA GLU 16 19.131 5.525 -0.916 123 HB2 GLU 16 HB2 GLU 16 18.013 3.404 -0.565 124 HB3 GLU 16 HB3 GLU 16 17.191 3.508 -2.125 125 HG2 GLU 16 HG2 GLU 16 19.248 3.223 -3.348 126 HG3 GLU 16 HG3 GLU 16 20.218 3.420 -1.878 127 H ALA 17 H ALA 17 16.693 5.687 -3.612 128 HA ALA 17 HA ALA 17 18.682 6.033 -5.626 129 HB1 ALA 17 HB1 ALA 17 16.753 6.771 -7.010 130 HB2 ALA 17 HB2 ALA 17 16.437 5.260 -6.133 131 HB3 ALA 17 HB3 ALA 17 15.734 6.786 -5.547 132 H ILE 18 H ILE 18 16.846 8.457 -3.666 133 HA ILE 18 HA ILE 18 17.994 10.811 -4.839 134 HB ILE 18 HB ILE 18 16.838 10.192 -2.101 135 HG12 ILE 18 HG12 ILE 18 15.906 12.057 -4.325 136 HG13 ILE 18 HG13 ILE 18 15.377 10.384 -4.166 137 HG21 ILE 18 HG21 ILE 18 17.904 12.907 -3.021 138 HG22 ILE 18 HG22 ILE 18 16.934 12.627 -1.566 139 HG23 ILE 18 HG23 ILE 18 18.532 11.934 -1.673 140 HD11 ILE 18 HD11 ILE 18 13.672 11.795 -3.267 141 HD12 ILE 18 HD12 ILE 18 14.419 10.922 -1.914 142 HD13 ILE 18 HD13 ILE 18 14.805 12.640 -2.208 143 H ASP 19 H ASP 19 19.149 8.827 -2.029 144 HA ASP 19 HA ASP 19 21.475 10.422 -1.608 145 HB2 ASP 19 HB2 ASP 19 20.386 8.949 0.059 146 HB3 ASP 19 HB3 ASP 19 20.916 7.532 -0.853 147 H ASN 20 H ASN 20 21.012 7.487 -3.640 148 HA ASN 20 HA ASN 20 23.743 7.208 -4.482 149 HB2 ASN 20 HB2 ASN 20 21.055 6.522 -5.744 150 HB3 ASN 20 HB3 ASN 20 22.563 6.252 -6.590 151 HD21 ASN 20 HD22 ASN 20 20.995 4.082 -6.195 152 HD22 ASN 20 HD21 ASN 20 21.755 3.053 -4.990 153 H ILE 21 H ILE 21 21.048 9.134 -5.961 154 HA ILE 21 HA ILE 21 22.675 10.297 -8.024 155 HB ILE 21 HB ILE 21 20.058 11.108 -6.701 156 HG12 ILE 21 HG12 ILE 21 20.653 10.286 -9.573 157 HG13 ILE 21 HG13 ILE 21 20.285 9.102 -8.316 158 HG21 ILE 21 HG21 ILE 21 21.655 12.604 -8.808 159 HG22 ILE 21 HG22 ILE 21 19.899 12.813 -8.629 160 HG23 ILE 21 HG23 ILE 21 20.958 13.235 -7.300 161 HD11 ILE 21 HD11 ILE 21 18.088 10.195 -7.904 162 HD12 ILE 21 HD12 ILE 21 18.411 11.308 -9.248 163 HD13 ILE 21 HD13 ILE 21 18.265 9.572 -9.553 164 H LEU 22 H LEU 22 21.892 11.443 -4.722 165 HA LEU 22 HA LEU 22 23.208 13.910 -4.784 166 HB2 LEU 22 HB2 LEU 22 21.645 12.975 -3.042 167 HB3 LEU 22 HB3 LEU 22 22.926 11.893 -2.508 168 HG LEU 22 HG LEU 22 24.307 13.920 -1.941 169 HD11 LEU 22 HD11 LEU 22 22.955 16.029 -1.606 170 HD12 LEU 22 HD12 LEU 22 23.165 15.619 -3.315 171 HD13 LEU 22 HD13 LEU 22 21.618 15.290 -2.506 172 HD21 LEU 22 HD21 LEU 22 23.080 12.663 -0.229 173 HD22 LEU 22 HD22 LEU 22 23.029 14.396 0.133 174 HD23 LEU 22 HD23 LEU 22 21.604 13.591 -0.560 175 H ARG 23 H ARG 23 24.572 10.708 -3.856 176 HA ARG 23 HA ARG 23 27.274 11.712 -3.500 177 HB2 ARG 23 HB2 ARG 23 26.005 8.970 -3.696 178 HB3 ARG 23 HB3 ARG 23 27.766 9.171 -3.616 179 HG2 ARG 23 HG2 ARG 23 27.550 10.443 -1.516 180 HG3 ARG 23 HG3 ARG 23 25.794 10.220 -1.536 181 HD2 ARG 23 HD2 ARG 23 27.788 7.900 -1.498 182 HD3 ARG 23 HD3 ARG 23 27.125 8.641 -0.049 183 HE ARG 23 HE ARG 23 24.957 7.836 -0.508 184 HH11 ARG 23 HH11 ARG 23 27.119 6.537 -3.002 185 HH12 ARG 23 HH12 ARG 23 25.924 5.355 -3.450 186 HH21 ARG 23 HH21 ARG 23 23.653 6.427 -1.084 187 HH22 ARG 23 HH22 ARG 23 23.892 5.380 -2.492 188 H TYR 24 H TYR 24 25.704 10.047 -6.316 189 HA TYR 24 HA TYR 24 28.079 9.951 -7.903 190 HB2 TYR 24 HB2 TYR 24 25.198 10.255 -8.824 191 HB3 TYR 24 HB3 TYR 24 26.545 9.731 -9.819 192 HD1 TYR 24 HD1 TYR 24 27.623 7.844 -7.329 193 HD2 TYR 24 HD2 TYR 24 23.980 8.286 -9.615 194 HE1 TYR 24 HE1 TYR 24 27.029 5.494 -6.843 195 HE2 TYR 24 HE2 TYR 24 23.406 5.910 -9.141 196 HH TYR 24 HH TYR 24 25.502 3.791 -7.139 197 H THR 25 H THR 25 25.661 12.571 -7.531 198 HA THR 25 HA THR 25 27.080 14.337 -9.420 199 HB THR 25 HB THR 25 25.476 16.048 -8.654 200 HG1 THR 25 HG1 THR 25 24.208 14.016 -7.177 201 HG21 THR 25 HG21 THR 25 24.148 13.410 -9.413 202 HG22 THR 25 HG22 THR 25 23.416 15.024 -9.518 203 HG23 THR 25 HG23 THR 25 24.810 14.614 -10.533 204 H ASN 26 H ASN 26 27.682 13.473 -6.187 205 HA ASN 26 HA ASN 26 28.713 14.367 -4.429 206 HB2 ASN 26 HB2 ASN 26 30.585 14.148 -6.100 207 HB3 ASN 26 HB3 ASN 26 30.401 15.871 -6.458 208 HD21 ASN 26 HD22 ASN 26 32.746 15.856 -5.764 209 HD22 ASN 26 HD21 ASN 26 33.065 15.997 -4.043 210 H SER 27 H SER 27 26.360 15.456 -4.671 211 HA SER 27 HA SER 27 26.615 18.441 -4.464 212 HB2 SER 27 HB2 SER 27 25.385 17.441 -6.419 213 HB3 SER 27 HB3 SER 27 24.189 16.818 -5.269 214 HG SER 27 HG SER 27 23.529 18.860 -6.036 215 H THR 28 H THR 28 24.673 19.404 -3.328 216 HA THR 28 HA THR 28 23.942 17.910 -0.827 217 HB THR 28 HB THR 28 25.304 19.834 -0.265 218 HG1 THR 28 HG1 THR 28 23.881 20.554 1.282 219 HG21 THR 28 HG21 THR 28 24.667 21.379 -2.129 220 HG22 THR 28 HG22 THR 28 23.057 21.563 -1.398 221 HG23 THR 28 HG23 THR 28 24.506 22.115 -0.534 222 H GLU 29 H GLU 29 21.734 18.107 -0.085 223 HA GLU 29 HA GLU 29 19.989 17.592 -2.288 224 HB2 GLU 29 HB2 GLU 29 19.427 17.942 0.682 225 HB3 GLU 29 HB3 GLU 29 18.228 17.385 -0.494 226 HG2 GLU 29 HG2 GLU 29 19.617 15.465 -1.101 227 HG3 GLU 29 HG3 GLU 29 20.898 16.000 -0.014 228 H GLN 30 H GLN 30 20.489 20.595 -0.469 229 HA GLN 30 HA GLN 30 18.170 21.990 -1.500 230 HB2 GLN 30 HB2 GLN 30 20.888 23.003 -0.557 231 HB3 GLN 30 HB3 GLN 30 19.489 24.025 -0.921 232 HG2 GLN 30 HG2 GLN 30 18.186 22.886 0.857 233 HG3 GLN 30 HG3 GLN 30 19.574 21.874 1.245 234 HE21 GLN 30 HE22 GLN 30 18.776 23.095 3.410 235 HE22 GLN 30 HE21 GLN 30 19.710 24.543 3.755 236 H GLN 31 H GLN 31 21.523 21.577 -2.792 237 HA GLN 31 HA GLN 31 21.000 23.281 -5.118 238 HB2 GLN 31 HB2 GLN 31 23.273 21.370 -4.440 239 HB3 GLN 31 HB3 GLN 31 23.157 22.276 -5.952 240 HG2 GLN 31 HG2 GLN 31 23.021 24.418 -4.614 241 HG3 GLN 31 HG3 GLN 31 23.338 23.480 -3.155 242 HE21 GLN 31 HE22 GLN 31 24.725 24.497 -6.312 243 HE22 GLN 31 HE21 GLN 31 26.392 24.218 -5.822 244 H PHE 32 H PHE 32 20.831 19.760 -4.447 245 HA PHE 32 HA PHE 32 20.167 18.992 -7.130 246 HB2 PHE 32 HB2 PHE 32 20.869 17.466 -5.315 247 HB3 PHE 32 HB3 PHE 32 19.367 17.786 -4.463 248 HD1 PHE 32 HD1 PHE 32 18.928 17.350 -8.112 249 HD2 PHE 32 HD2 PHE 32 19.328 15.288 -4.332 250 HE1 PHE 32 HE1 PHE 32 17.850 15.359 -9.077 251 HE2 PHE 32 HE2 PHE 32 18.267 13.284 -5.333 252 HZ PHE 32 HZ PHE 32 17.499 13.327 -7.697 253 H LEU 33 H LEU 33 18.001 20.038 -4.391 254 HA LEU 33 HA LEU 33 15.596 19.900 -5.914 255 HB2 LEU 33 HB2 LEU 33 15.766 20.036 -3.457 256 HB3 LEU 33 HB3 LEU 33 16.315 21.696 -3.563 257 HG LEU 33 HG LEU 33 13.938 21.344 -2.853 258 HD11 LEU 33 HD11 LEU 33 14.035 23.011 -5.381 259 HD12 LEU 33 HD12 LEU 33 12.996 23.197 -3.966 260 HD13 LEU 33 HD13 LEU 33 14.728 23.511 -3.821 261 HD21 LEU 33 HD21 LEU 33 13.348 19.499 -4.390 262 HD22 LEU 33 HD22 LEU 33 12.199 20.850 -4.460 263 HD23 LEU 33 HD23 LEU 33 13.387 20.635 -5.758 264 H GLU 34 H GLU 34 17.865 22.638 -5.483 265 HA GLU 34 HA GLU 34 16.451 24.493 -7.104 266 HB2 GLU 34 HB2 GLU 34 18.320 25.040 -5.571 267 HB3 GLU 34 HB3 GLU 34 19.450 24.248 -6.670 268 HG2 GLU 34 HG2 GLU 34 18.939 25.881 -8.430 269 HG3 GLU 34 HG3 GLU 34 17.700 26.625 -7.409 270 H ALA 35 H ALA 35 18.892 22.053 -8.084 271 HA ALA 35 HA ALA 35 18.884 22.739 -10.867 272 HB1 ALA 35 HB1 ALA 35 19.974 20.545 -11.142 273 HB2 ALA 35 HB2 ALA 35 20.664 21.446 -9.776 274 HB3 ALA 35 HB3 ALA 35 19.538 20.103 -9.474 275 H MET 36 H MET 36 16.868 20.390 -9.002 276 HA MET 36 HA MET 36 15.356 19.452 -11.282 277 HB2 MET 36 HB2 MET 36 14.712 19.616 -8.307 278 HB3 MET 36 HB3 MET 36 13.664 18.847 -9.497 279 HG2 MET 36 HG2 MET 36 16.561 18.030 -9.081 280 HG3 MET 36 HG3 MET 36 15.231 17.306 -8.192 281 HE1 MET 36 HE1 MET 36 13.777 15.403 -8.985 282 HE2 MET 36 HE2 MET 36 12.895 16.602 -9.967 283 HE3 MET 36 HE3 MET 36 13.406 15.073 -10.692 284 H GLU 37 H GLU 37 14.707 22.187 -8.992 285 HA GLU 37 HA GLU 37 12.282 23.009 -10.251 286 HB2 GLU 37 HB2 GLU 37 13.064 23.693 -8.004 287 HB3 GLU 37 HB3 GLU 37 14.345 24.665 -8.736 288 HG2 GLU 37 HG2 GLU 37 12.654 26.082 -9.846 289 HG3 GLU 37 HG3 GLU 37 11.360 25.067 -9.204 290 H SER 38 H SER 38 15.686 23.992 -10.903 291 HA SER 38 HA SER 38 15.106 25.867 -12.980 292 HB2 SER 38 HB2 SER 38 17.247 25.641 -11.704 293 HB3 SER 38 HB3 SER 38 17.581 24.139 -12.589 294 HG SER 38 HG SER 38 18.580 26.048 -13.516 295 H THR 39 H THR 39 15.370 22.329 -13.088 296 HA THR 39 HA THR 39 15.281 22.349 -16.073 297 HB THR 39 HB THR 39 15.916 19.980 -15.934 298 HG1 THR 39 HG1 THR 39 16.403 20.449 -13.198 299 HG21 THR 39 HG21 THR 39 17.759 21.855 -14.391 300 HG22 THR 39 HG22 THR 39 18.217 20.304 -15.109 301 HG23 THR 39 HG23 THR 39 17.695 21.640 -16.152 302 H GLY 40 H GLY 40 12.937 22.404 -13.768 303 HA2 GLY 40 HA2 GLY 40 10.671 22.155 -14.111 304 HA3 GLY 40 HA3 GLY 40 10.974 21.412 -15.685 305 H GLY 41 H GLY 41 12.528 20.064 -12.852 306 HA2 GLY 41 HA2 GLY 41 12.024 18.226 -11.515 307 HA3 GLY 41 HA3 GLY 41 10.472 18.019 -12.330 308 H ARG 42 H ARG 42 13.030 18.226 -14.636 309 HA ARG 42 HA ARG 42 12.882 15.325 -15.224 310 HB2 ARG 42 HB2 ARG 42 14.276 17.672 -16.571 311 HB3 ARG 42 HB3 ARG 42 14.524 15.979 -17.014 312 HG2 ARG 42 HG2 ARG 42 11.866 15.903 -17.134 313 HG3 ARG 42 HG3 ARG 42 12.038 17.659 -17.346 314 HD2 ARG 42 HD2 ARG 42 13.617 17.213 -19.252 315 HD3 ARG 42 HD3 ARG 42 13.462 15.479 -18.935 316 HE ARG 42 HE ARG 42 11.392 15.449 -19.998 317 HH11 ARG 42 HH11 ARG 42 12.190 18.854 -19.557 318 HH12 ARG 42 HH12 ARG 42 10.880 19.363 -20.586 319 HH21 ARG 42 HH21 ARG 42 9.748 16.197 -21.262 320 HH22 ARG 42 HH22 ARG 42 9.545 17.902 -21.521 321 H VAL 43 H VAL 43 13.837 14.240 -13.547 322 HA VAL 43 HA VAL 43 16.259 14.883 -12.247 323 HB VAL 43 HB VAL 43 14.672 13.213 -11.458 324 HG11 VAL 43 HG11 VAL 43 15.796 11.315 -13.553 325 HG12 VAL 43 HG12 VAL 43 14.657 10.920 -12.259 326 HG13 VAL 43 HG13 VAL 43 14.150 12.006 -13.555 327 HG21 VAL 43 HG21 VAL 43 16.263 11.622 -10.536 328 HG22 VAL 43 HG22 VAL 43 17.475 12.057 -11.749 329 HG23 VAL 43 HG23 VAL 43 16.950 13.254 -10.538 330 H ARG 44 H ARG 44 15.938 13.137 -15.378 331 HA ARG 44 HA ARG 44 18.705 12.516 -15.648 332 HB2 ARG 44 HB2 ARG 44 18.228 12.047 -17.923 333 HB3 ARG 44 HB3 ARG 44 16.860 11.524 -16.959 334 HG2 ARG 44 HG2 ARG 44 15.661 13.709 -17.720 335 HG3 ARG 44 HG3 ARG 44 17.043 13.943 -18.803 336 HD2 ARG 44 HD2 ARG 44 15.417 12.914 -20.138 337 HD3 ARG 44 HD3 ARG 44 16.552 11.627 -19.756 338 HE ARG 44 HE ARG 44 13.884 12.072 -18.407 339 HH11 ARG 44 HH11 ARG 44 16.300 9.653 -19.372 340 HH12 ARG 44 HH12 ARG 44 15.085 8.389 -19.178 341 HH21 ARG 44 HH22 ARG 44 12.607 10.230 -18.005 342 HH22 ARG 44 HH21 ARG 44 13.312 8.659 -18.349 343 H ILE 45 H ILE 45 16.997 15.516 -16.473 344 HA ILE 45 HA ILE 45 19.402 16.699 -17.698 345 HB ILE 45 HB ILE 45 16.770 18.043 -17.032 346 HG12 ILE 45 HG12 ILE 45 16.268 16.250 -18.583 347 HG13 ILE 45 HG13 ILE 45 16.177 17.788 -19.406 348 HG21 ILE 45 HG21 ILE 45 19.061 18.854 -18.893 349 HG22 ILE 45 HG22 ILE 45 17.490 19.680 -18.784 350 HG23 ILE 45 HG23 ILE 45 18.582 19.669 -17.402 351 HD11 ILE 45 HD11 ILE 45 18.362 17.363 -20.505 352 HD12 ILE 45 HD12 ILE 45 18.499 15.816 -19.635 353 HD13 ILE 45 HD13 ILE 45 17.205 16.060 -20.814 354 H ALA 46 H ALA 46 17.699 16.878 -14.558 355 HA ALA 46 HA ALA 46 19.279 18.961 -13.418 356 HB1 ALA 46 HB1 ALA 46 18.492 18.068 -11.275 357 HB2 ALA 46 HB2 ALA 46 17.170 18.078 -12.455 358 HB3 ALA 46 HB3 ALA 46 17.989 16.557 -12.053 359 H ILE 47 H ILE 47 19.800 15.353 -13.292 360 HA ILE 47 HA ILE 47 22.358 15.712 -12.006 361 HB ILE 47 HB ILE 47 22.759 13.398 -12.255 362 HG12 ILE 47 HG12 ILE 47 20.406 13.266 -14.170 363 HG13 ILE 47 HG13 ILE 47 22.100 12.957 -14.542 364 HG21 ILE 47 HG21 ILE 47 19.814 13.814 -11.606 365 HG22 ILE 47 HG22 ILE 47 20.894 12.567 -10.978 366 HG23 ILE 47 HG23 ILE 47 21.158 14.262 -10.545 367 HD11 ILE 47 HD11 ILE 47 22.059 11.024 -12.928 368 HD12 ILE 47 HD12 ILE 47 20.300 11.268 -12.762 369 HD13 ILE 47 HD13 ILE 47 20.986 10.842 -14.325 370 H ALA 48 H ALA 48 21.475 15.407 -15.512 371 HA ALA 48 HA ALA 48 24.115 15.504 -16.494 372 HB1 ALA 48 HB1 ALA 48 23.060 16.485 -18.505 373 HB2 ALA 48 HB2 ALA 48 22.098 15.135 -17.868 374 HB3 ALA 48 HB3 ALA 48 21.579 16.809 -17.572 375 H LYS 49 H LYS 49 22.027 18.305 -15.484 376 HA LYS 49 HA LYS 49 24.022 20.312 -16.031 377 HB2 LYS 49 HB2 LYS 49 21.526 20.248 -14.292 378 HB3 LYS 49 HB3 LYS 49 22.531 21.687 -14.415 379 HG2 LYS 49 HG2 LYS 49 21.315 20.323 -16.851 380 HG3 LYS 49 HG3 LYS 49 20.509 21.601 -15.938 381 HD2 LYS 49 HD2 LYS 49 22.386 23.154 -16.401 382 HD3 LYS 49 HD3 LYS 49 23.210 21.887 -17.338 383 HE2 LYS 49 HE2 LYS 49 21.293 21.760 -18.887 384 HE3 LYS 49 HE3 LYS 49 20.437 23.002 -17.960 385 HZ1 LYS 49 HZ1 LYS 49 22.235 24.568 -18.536 386 HZ2 LYS 49 HZ2 LYS 49 23.021 23.418 -19.395 387 HZ3 LYS 49 HZ3 LYS 49 21.567 23.962 -19.893 388 H LEU 50 H LEU 50 23.476 18.337 -13.095 389 HA LEU 50 HA LEU 50 25.546 19.733 -11.591 390 HB2 LEU 50 HB2 LEU 50 24.077 17.107 -11.316 391 HB3 LEU 50 HB3 LEU 50 25.605 17.289 -10.491 392 HG LEU 50 HG LEU 50 23.844 17.739 -8.961 393 HD11 LEU 50 HD11 LEU 50 25.951 19.055 -8.739 394 HD12 LEU 50 HD12 LEU 50 25.167 20.404 -9.595 395 HD13 LEU 50 HD13 LEU 50 24.529 19.850 -8.045 396 HD21 LEU 50 HD21 LEU 50 22.329 19.649 -9.151 397 HD22 LEU 50 HD22 LEU 50 22.937 19.985 -10.785 398 HD23 LEU 50 HD23 LEU 50 22.072 18.465 -10.442 399 H LEU 51 H LEU 51 25.666 16.987 -13.872 400 HA LEU 51 HA LEU 51 28.487 16.469 -13.262 401 HB2 LEU 51 HB2 LEU 51 26.483 15.254 -15.191 402 HB3 LEU 51 HB3 LEU 51 28.133 14.674 -15.027 403 HG LEU 51 HG LEU 51 26.186 14.753 -12.678 404 HD11 LEU 51 HD11 LEU 51 25.908 12.343 -13.038 405 HD12 LEU 51 HD12 LEU 51 25.346 13.256 -14.446 406 HD13 LEU 51 HD13 LEU 51 26.915 12.428 -14.504 407 HD21 LEU 51 HD21 LEU 51 27.763 13.111 -11.699 408 HD22 LEU 51 HD22 LEU 51 28.839 13.321 -13.095 409 HD23 LEU 51 HD23 LEU 51 28.541 14.676 -11.982 410 H SER 52 H SER 52 26.852 18.300 -15.798 411 HA SER 52 HA SER 52 28.689 17.998 -17.868 412 HB2 SER 52 HB2 SER 52 27.720 20.033 -18.818 413 HB3 SER 52 HB3 SER 52 26.473 18.973 -18.150 414 HG SER 52 HG SER 52 26.293 21.277 -17.589 415 H LYS 53 H LYS 53 29.219 19.905 -15.015 416 HA LYS 53 HA LYS 53 31.286 21.630 -16.066 417 HB2 LYS 53 HB2 LYS 53 31.781 22.145 -13.750 418 HB3 LYS 53 HB3 LYS 53 30.037 22.137 -14.010 419 HG2 LYS 53 HG2 LYS 53 29.904 19.854 -13.001 420 HG3 LYS 53 HG3 LYS 53 31.658 19.878 -12.734 421 HD2 LYS 53 HD2 LYS 53 31.416 21.865 -11.270 422 HD3 LYS 53 HD3 LYS 53 29.658 21.852 -11.545 423 HE2 LYS 53 HE2 LYS 53 29.494 19.603 -10.535 424 HE3 LYS 53 HE3 LYS 53 31.253 19.554 -10.314 425 HZ1 LYS 53 HZ1 LYS 53 29.439 21.515 -8.988 426 HZ2 LYS 53 HZ2 LYS 53 30.133 20.227 -8.258 427 HZ3 LYS 53 HZ3 LYS 53 31.065 21.452 -8.790 428 H GLN 54 H GLN 54 31.376 18.253 -15.443 429 HA GLN 54 HA GLN 54 34.218 18.057 -14.785 430 HB2 GLN 54 HB2 GLN 54 32.216 15.987 -15.771 431 HB3 GLN 54 HB3 GLN 54 33.871 15.640 -15.258 432 HG2 GLN 54 HG2 GLN 54 33.390 16.494 -12.997 433 HG3 GLN 54 HG3 GLN 54 31.736 16.884 -13.461 434 HE21 GLN 54 HE22 GLN 54 31.838 15.330 -11.302 435 HE22 GLN 54 HE21 GLN 54 31.477 13.662 -11.711 436 H THR 55 H THR 55 35.932 17.469 -16.117 437 HA THR 55 HA THR 55 35.550 17.455 -19.071 438 HB THR 55 HB THR 55 37.580 18.929 -19.248 439 HG1 THR 55 HG1 THR 55 38.016 20.248 -17.427 440 HG21 THR 55 HG21 THR 55 35.292 19.799 -19.634 441 HG22 THR 55 HG22 THR 55 35.176 20.245 -17.918 442 HG23 THR 55 HG23 THR 55 36.380 21.025 -18.965 443 H SER 56 H SER 56 37.209 16.602 -20.287 444 HA SER 56 HA SER 56 38.847 14.467 -19.076 445 HB2 SER 56 HB2 SER 56 38.697 15.427 -21.964 446 HB3 SER 56 HB3 SER 56 39.373 13.899 -21.387 447 HG SER 56 HG SER 56 37.263 13.267 -20.748 448 H GLY 57 H GLY 57 41.199 14.317 -19.971 449 HA2 GLY 57 HA2 GLY 57 42.857 16.448 -19.123 450 HA3 GLY 57 HA3 GLY 57 43.346 15.152 -20.219 451 H GLY 58 H GLY 58 44.028 18.052 -20.202 452 HA2 GLY 58 HA2 GLY 58 44.331 19.794 -21.694 453 HA3 GLY 58 HA3 GLY 58 43.726 18.756 -22.991 454 H SER 59 H SER 59 41.741 19.384 -20.159 455 HA SER 59 HA SER 59 39.657 20.159 -19.905 456 HB2 SER 59 HB2 SER 59 40.542 22.476 -21.648 457 HB3 SER 59 HB3 SER 59 39.124 22.441 -20.595 458 HG SER 59 HG SER 59 41.861 22.198 -19.789 459 H GLY 60 H GLY 60 40.014 18.258 -22.042 460 HA2 GLY 60 HA2 GLY 60 38.117 18.858 -24.182 461 HA3 GLY 60 HA3 GLY 60 38.885 17.315 -23.832 462 H GLY 61 H GLY 61 36.591 16.729 -24.546 463 HA2 GLY 61 HA2 GLY 61 35.171 15.732 -22.236 464 HA3 GLY 61 HA3 GLY 61 34.258 17.005 -23.050 465 H SER 62 H SER 62 33.016 14.710 -22.931 466 HA SER 62 HA SER 62 33.649 12.735 -24.884 467 HB2 SER 62 HB2 SER 62 31.001 13.249 -23.486 468 HB3 SER 62 HB3 SER 62 31.510 11.737 -24.270 469 HG SER 62 HG SER 62 31.858 11.679 -21.993 470 H LYS 63 H LYS 63 32.040 15.736 -25.364 471 HA LYS 63 HA LYS 63 31.172 14.925 -28.105 472 HB2 LYS 63 HB2 LYS 63 29.249 14.882 -26.555 473 HB3 LYS 63 HB3 LYS 63 29.505 16.567 -26.140 474 HG2 LYS 63 HG2 LYS 63 29.053 15.761 -29.038 475 HG3 LYS 63 HG3 LYS 63 27.707 15.800 -27.906 476 HD2 LYS 63 HD2 LYS 63 28.207 18.191 -27.381 477 HD3 LYS 63 HD3 LYS 63 29.458 18.191 -28.636 478 HE2 LYS 63 HE2 LYS 63 27.736 17.515 -30.325 479 HE3 LYS 63 HE3 LYS 63 26.507 17.535 -29.058 480 HZ1 LYS 63 HZ1 LYS 63 27.094 19.952 -28.739 481 HZ2 LYS 63 HZ2 LYS 63 28.007 19.880 -30.113 482 HZ3 LYS 63 HZ3 LYS 63 26.391 19.617 -30.171 483 H LEU 64 H LEU 64 31.503 16.373 -29.674 484 HA LEU 64 HA LEU 64 32.287 19.154 -29.085 485 HB2 LEU 64 HB2 LEU 64 34.276 19.042 -30.527 486 HB3 LEU 64 HB3 LEU 64 34.394 18.099 -29.061 487 HG LEU 64 HG LEU 64 33.990 16.002 -30.389 488 HD11 LEU 64 HD11 LEU 64 34.459 16.129 -32.852 489 HD12 LEU 64 HD12 LEU 64 32.900 16.805 -32.415 490 HD13 LEU 64 HD13 LEU 64 34.267 17.892 -32.768 491 HD21 LEU 64 HD21 LEU 64 36.255 15.949 -31.323 492 HD22 LEU 64 HD22 LEU 64 36.340 17.725 -31.268 493 HD23 LEU 64 HD23 LEU 64 36.246 16.780 -29.766 494 H GLY 65 H GLY 65 32.453 20.473 -31.132 495 HA2 GLY 65 HA2 GLY 65 31.548 21.270 -33.099 496 HA3 GLY 65 HA3 GLY 65 31.093 19.627 -33.527 497 H GLY 66 H GLY 66 29.281 20.908 -34.467 498 HA2 GLY 66 HA2 GLY 66 27.270 22.194 -32.861 499 HA3 GLY 66 HA3 GLY 66 27.124 21.705 -34.543 500 H SER 67 H SER 67 24.899 21.527 -33.371 501 HA SER 67 HA SER 67 24.421 18.693 -32.510 502 HB2 SER 67 HB2 SER 67 23.065 21.196 -31.457 503 HB3 SER 67 HB3 SER 67 22.736 19.525 -30.953 504 HG SER 67 HG SER 67 24.178 20.682 -29.540 505 H GLY 68 H GLY 68 24.103 20.116 -35.210 506 HA2 GLY 68 HA2 GLY 68 22.669 19.931 -37.020 507 HA3 GLY 68 HA3 GLY 68 21.644 18.872 -36.057 508 H GLY 69 H GLY 69 19.883 19.943 -37.192 509 HA2 GLY 69 HA2 GLY 69 19.249 22.736 -36.854 510 HA3 GLY 69 HA3 GLY 69 18.165 21.473 -37.428 511 H SER 70 H SER 70 17.267 23.562 -35.845 512 HA SER 70 HA SER 70 17.074 22.955 -33.045 513 HB2 SER 70 HB2 SER 70 15.249 24.639 -33.080 514 HB3 SER 70 HB3 SER 70 16.731 25.195 -33.873 515 HG SER 70 HG SER 70 14.867 25.677 -35.134 516 H ARG 71 H ARG 71 15.231 21.876 -35.817 517 HA ARG 71 HA ARG 71 13.655 20.006 -34.078 518 HB2 ARG 71 HB2 ARG 71 12.838 21.178 -36.773 519 HB3 ARG 71 HB3 ARG 71 11.937 19.967 -35.874 520 HG2 ARG 71 HG2 ARG 71 12.459 22.844 -34.997 521 HG3 ARG 71 HG3 ARG 71 10.954 22.216 -35.651 522 HD2 ARG 71 HD2 ARG 71 12.222 21.374 -33.015 523 HD3 ARG 71 HD3 ARG 71 10.869 22.492 -33.207 524 HE ARG 71 HE ARG 71 10.014 20.198 -34.507 525 HH11 ARG 71 HH11 ARG 71 10.956 20.918 -31.209 526 HH12 ARG 71 HH12 ARG 71 9.949 19.658 -30.550 527 HH21 ARG 71 HH21 ARG 71 8.775 18.589 -33.604 528 HH22 ARG 71 HH22 ARG 71 8.738 18.383 -31.879 529 H LYS 72 H LYS 72 13.819 17.907 -34.519 530 HA LYS 72 HA LYS 72 15.257 16.900 -36.929 531 HB2 LYS 72 HB2 LYS 72 16.052 16.403 -34.027 532 HB3 LYS 72 HB3 LYS 72 16.582 15.383 -35.368 533 HG2 LYS 72 HG2 LYS 72 17.661 17.304 -36.465 534 HG3 LYS 72 HG3 LYS 72 17.182 18.367 -35.137 535 HD2 LYS 72 HD2 LYS 72 18.892 15.875 -34.759 536 HD3 LYS 72 HD3 LYS 72 19.589 17.457 -35.085 537 HE2 LYS 72 HE2 LYS 72 17.680 17.024 -32.749 538 HE3 LYS 72 HE3 LYS 72 19.391 16.625 -32.616 539 HZ1 LYS 72 HZ1 LYS 72 18.461 19.352 -33.405 540 HZ2 LYS 72 HZ2 LYS 72 18.859 18.920 -31.868 541 HZ3 LYS 72 HZ3 LYS 72 19.990 18.889 -33.045 542 H ASP 73 H ASP 73 14.966 14.683 -37.345 543 HA ASP 73 HA ASP 73 12.986 13.142 -35.824 544 HB2 ASP 73 HB2 ASP 73 11.663 14.548 -37.435 545 HB3 ASP 73 HB3 ASP 73 12.558 13.806 -38.763 546 H LEU 74 H LEU 74 12.856 10.907 -36.564 547 HA LEU 74 HA LEU 74 13.944 8.922 -36.697 548 HB2 LEU 74 HB2 LEU 74 15.012 10.017 -39.311 549 HB3 LEU 74 HB3 LEU 74 14.864 8.322 -38.864 550 HG LEU 74 HG LEU 74 12.540 10.248 -39.290 551 HD11 LEU 74 HD11 LEU 74 13.544 7.896 -40.945 552 HD12 LEU 74 HD12 LEU 74 12.108 8.890 -41.286 553 HD13 LEU 74 HD13 LEU 74 13.719 9.619 -41.357 554 HD21 LEU 74 HD21 LEU 74 12.550 7.252 -38.691 555 HD22 LEU 74 HD22 LEU 74 11.907 8.537 -37.638 556 HD23 LEU 74 HD23 LEU 74 11.128 8.200 -39.183 557 H SER 75 H SER 75 15.323 10.792 -35.097 558 HA SER 75 HA SER 75 18.082 10.987 -35.525 559 HB2 SER 75 HB2 SER 75 16.645 10.861 -32.850 560 HB3 SER 75 HB3 SER 75 18.234 11.580 -33.169 561 HG SER 75 HG SER 75 16.514 13.144 -33.127 562 H VAL 76 H VAL 76 19.899 9.920 -34.729 563 HA VAL 76 HA VAL 76 19.666 7.032 -34.319 564 HB VAL 76 HB VAL 76 22.116 7.023 -34.230 565 HG11 VAL 76 HG11 VAL 76 20.930 6.860 -36.379 566 HG12 VAL 76 HG12 VAL 76 21.031 8.623 -36.580 567 HG13 VAL 76 HG13 VAL 76 22.511 7.642 -36.543 568 HG21 VAL 76 HG21 VAL 76 22.541 9.223 -33.187 569 HG22 VAL 76 HG22 VAL 76 23.436 9.015 -34.694 570 HG23 VAL 76 HG23 VAL 76 21.988 10.037 -34.669 571 H LYS 77 H LYS 77 20.784 5.886 -32.601 572 HA LYS 77 HA LYS 77 19.926 6.808 -29.986 573 HB2 LYS 77 HB2 LYS 77 20.627 4.635 -29.175 574 HB3 LYS 77 HB3 LYS 77 19.675 4.511 -30.634 575 HG2 LYS 77 HG2 LYS 77 21.267 2.921 -30.996 576 HG3 LYS 77 HG3 LYS 77 21.953 4.269 -31.897 577 HD2 LYS 77 HD2 LYS 77 23.480 4.748 -29.978 578 HD3 LYS 77 HD3 LYS 77 22.770 3.413 -29.067 579 HE2 LYS 77 HE2 LYS 77 24.195 3.145 -31.764 580 HE3 LYS 77 HE3 LYS 77 24.987 2.946 -30.200 581 HZ1 LYS 77 HZ1 LYS 77 24.336 0.798 -31.083 582 HZ2 LYS 77 HZ2 LYS 77 23.469 1.081 -29.732 583 HZ3 LYS 77 HZ3 LYS 77 22.770 1.225 -31.206 584 H GLY 78 H GLY 78 21.248 6.773 -28.054 585 HA2 GLY 78 HA2 GLY 78 24.084 7.127 -28.029 586 HA3 GLY 78 HA3 GLY 78 23.307 8.712 -28.074 587 H MET 79 H MET 79 24.772 8.370 -25.930 588 HA MET 79 HA MET 79 23.499 6.998 -23.723 589 HB2 MET 79 HB2 MET 79 25.926 7.303 -23.865 590 HB3 MET 79 HB3 MET 79 25.737 9.058 -23.753 591 HG2 MET 79 HG2 MET 79 24.747 8.819 -21.502 592 HG3 MET 79 HG3 MET 79 24.881 7.059 -21.612 593 HE1 MET 79 HE1 MET 79 26.003 7.220 -19.178 594 HE2 MET 79 HE2 MET 79 27.467 8.165 -18.834 595 HE3 MET 79 HE3 MET 79 25.946 8.998 -19.227 596 H LEU 80 H LEU 80 21.922 7.645 -22.440 597 HA LEU 80 HA LEU 80 21.644 10.426 -21.569 598 HB2 LEU 80 HB2 LEU 80 20.217 10.337 -23.593 599 HB3 LEU 80 HB3 LEU 80 19.400 8.906 -22.974 600 HG LEU 80 HG LEU 80 18.466 10.242 -21.104 601 HD11 LEU 80 HD11 LEU 80 18.561 12.727 -21.218 602 HD12 LEU 80 HD12 LEU 80 20.154 12.042 -20.896 603 HD13 LEU 80 HD13 LEU 80 19.754 12.613 -22.529 604 HD21 LEU 80 HD21 LEU 80 17.196 9.957 -23.191 605 HD22 LEU 80 HD22 LEU 80 16.863 11.531 -22.456 606 HD23 LEU 80 HD23 LEU 80 17.946 11.422 -23.860 607 H TYR 81 H TYR 81 21.061 10.468 -19.415 608 HA TYR 81 HA TYR 81 20.879 8.030 -17.913 609 HB2 TYR 81 HB2 TYR 81 20.085 10.790 -16.946 610 HB3 TYR 81 HB3 TYR 81 20.650 9.421 -15.997 611 HD1 TYR 81 HD1 TYR 81 23.099 8.598 -16.429 612 HD2 TYR 81 HD2 TYR 81 21.597 12.455 -17.664 613 HE1 TYR 81 HE1 TYR 81 25.433 9.460 -16.610 614 HE2 TYR 81 HE2 TYR 81 23.924 13.292 -17.885 615 HH TYR 81 HH TYR 81 26.178 12.790 -17.710 616 H ASP 82 H ASP 82 19.125 7.185 -16.648 617 HA ASP 82 HA ASP 82 16.419 8.283 -17.090 618 HB2 ASP 82 HB2 ASP 82 16.834 6.655 -18.936 619 HB3 ASP 82 HB3 ASP 82 17.092 5.385 -17.736 620 H SER 83 H SER 83 15.365 8.405 -15.288 621 HA SER 83 HA SER 83 14.986 6.204 -13.486 622 HB2 SER 83 HB2 SER 83 15.617 7.489 -11.404 623 HB3 SER 83 HB3 SER 83 16.976 6.910 -12.362 624 HG SER 83 HG SER 83 17.321 8.967 -13.136 625 H ASP 84 H ASP 84 13.308 6.877 -11.742 626 HA ASP 84 HA ASP 84 11.165 8.238 -13.099 627 HB2 ASP 84 HB2 ASP 84 10.801 6.353 -11.556 628 HB3 ASP 84 HB3 ASP 84 11.360 7.334 -10.201 629 H SER 85 H SER 85 10.477 10.311 -13.066 630 HA SER 85 HA SER 85 12.027 12.356 -11.703 631 HB2 SER 85 HB2 SER 85 10.345 13.868 -12.828 632 HB3 SER 85 HB3 SER 85 11.269 12.809 -13.915 633 HG SER 85 HG SER 85 9.028 12.776 -14.429 634 H GLN 86 H GLN 86 8.641 11.183 -11.381 635 HA GLN 86 HA GLN 86 7.912 13.319 -9.641 636 HB2 GLN 86 HB2 GLN 86 6.523 10.651 -10.165 637 HB3 GLN 86 HB3 GLN 86 5.808 12.030 -9.318 638 HG2 GLN 86 HG2 GLN 86 6.104 13.437 -11.360 639 HG3 GLN 86 HG3 GLN 86 6.757 12.039 -12.219 640 HE21 GLN 86 HE22 GLN 86 4.745 13.005 -13.561 641 HE22 GLN 86 HE21 GLN 86 3.253 12.122 -13.266 642 H GLN 87 H GLN 87 8.707 9.894 -8.722 643 HA GLN 87 HA GLN 87 8.056 10.341 -5.934 644 HB2 GLN 87 HB2 GLN 87 9.881 8.298 -7.276 645 HB3 GLN 87 HB3 GLN 87 9.398 8.264 -5.574 646 HG2 GLN 87 HG2 GLN 87 7.039 8.042 -6.187 647 HG3 GLN 87 HG3 GLN 87 7.427 8.151 -7.903 648 HE21 GLN 87 HE22 GLN 87 6.025 5.996 -7.492 649 HE22 GLN 87 HE21 GLN 87 7.028 4.560 -7.365 650 H ILE 88 H ILE 88 11.125 10.500 -7.749 651 HA ILE 88 HA ILE 88 12.844 11.237 -5.584 652 HB ILE 88 HB ILE 88 12.977 11.862 -8.566 653 HG12 ILE 88 HG12 ILE 88 12.983 9.451 -8.129 654 HG13 ILE 88 HG13 ILE 88 14.513 10.015 -8.772 655 HG21 ILE 88 HG21 ILE 88 15.152 12.163 -6.465 656 HG22 ILE 88 HG22 ILE 88 15.426 12.182 -8.221 657 HG23 ILE 88 HG23 ILE 88 14.444 13.443 -7.462 658 HD11 ILE 88 HD11 ILE 88 15.558 9.843 -6.546 659 HD12 ILE 88 HD12 ILE 88 13.996 9.329 -5.847 660 HD13 ILE 88 HD13 ILE 88 14.812 8.317 -7.050 661 H LEU 89 H LEU 89 11.034 13.359 -7.936 662 HA LEU 89 HA LEU 89 11.929 15.752 -6.659 663 HB2 LEU 89 HB2 LEU 89 11.043 15.568 -8.978 664 HB3 LEU 89 HB3 LEU 89 9.441 15.236 -8.368 665 HG LEU 89 HG LEU 89 9.941 17.551 -9.267 666 HD11 LEU 89 HD11 LEU 89 8.832 17.608 -6.437 667 HD12 LEU 89 HD12 LEU 89 8.516 18.728 -7.761 668 HD13 LEU 89 HD13 LEU 89 7.934 17.059 -7.874 669 HD21 LEU 89 HD21 LEU 89 11.221 18.090 -6.559 670 HD22 LEU 89 HD22 LEU 89 12.141 17.844 -8.058 671 HD23 LEU 89 HD23 LEU 89 11.013 19.207 -7.917 672 H ASN 90 H ASN 90 8.845 13.892 -6.153 673 HA ASN 90 HA ASN 90 7.811 15.753 -4.306 674 HB2 ASN 90 HB2 ASN 90 6.561 13.873 -5.436 675 HB3 ASN 90 HB3 ASN 90 7.321 12.743 -4.304 676 HD21 ASN 90 HD22 ASN 90 5.123 12.203 -3.553 677 HD22 ASN 90 HD21 ASN 90 4.302 13.315 -2.474 678 H ARG 91 H ARG 91 9.810 12.780 -3.536 679 HA ARG 91 HA ARG 91 9.786 13.511 -0.729 680 HB2 ARG 91 HB2 ARG 91 9.986 11.197 -1.521 681 HB3 ARG 91 HB3 ARG 91 11.553 11.539 -2.231 682 HG2 ARG 91 HG2 ARG 91 11.604 10.308 -0.049 683 HG3 ARG 91 HG3 ARG 91 12.586 11.768 -0.083 684 HD2 ARG 91 HD2 ARG 91 11.337 11.395 2.070 685 HD3 ARG 91 HD3 ARG 91 11.083 12.962 1.331 686 HE ARG 91 HE ARG 91 8.844 12.439 0.792 687 HH11 ARG 91 HH21 ARG 91 10.193 9.646 2.474 688 HH12 ARG 91 HH22 ARG 91 8.595 9.079 2.878 689 HH21 ARG 91 HH11 ARG 91 7.044 11.750 1.288 690 HH22 ARG 91 HH12 ARG 91 6.776 10.237 2.163 691 H LEU 92 H LEU 92 12.030 14.394 -3.348 692 HA LEU 92 HA LEU 92 13.974 15.586 -1.553 693 HB2 LEU 92 HB2 LEU 92 14.390 14.899 -3.914 694 HB3 LEU 92 HB3 LEU 92 13.293 16.165 -4.464 695 HG LEU 92 HG LEU 92 14.845 17.875 -3.491 696 HD11 LEU 92 HD11 LEU 92 16.679 15.465 -3.076 697 HD12 LEU 92 HD12 LEU 92 17.167 17.171 -2.966 698 HD13 LEU 92 HD13 LEU 92 16.020 16.518 -1.795 699 HD21 LEU 92 HD21 LEU 92 15.998 15.899 -5.512 700 HD22 LEU 92 HD22 LEU 92 14.923 17.278 -5.853 701 HD23 LEU 92 HD23 LEU 92 16.567 17.557 -5.261 702 H ARG 93 H ARG 93 11.023 16.833 -3.180 703 HA ARG 93 HA ARG 93 11.262 19.578 -2.293 704 HB2 ARG 93 HB2 ARG 93 9.860 18.820 -4.199 705 HB3 ARG 93 HB3 ARG 93 8.874 17.863 -3.097 706 HG2 ARG 93 HG2 ARG 93 8.323 20.137 -1.924 707 HG3 ARG 93 HG3 ARG 93 9.046 20.887 -3.349 708 HD2 ARG 93 HD2 ARG 93 6.634 20.751 -3.675 709 HD3 ARG 93 HD3 ARG 93 7.413 19.627 -4.781 710 HE ARG 93 HE ARG 93 6.402 17.842 -3.689 711 HH11 ARG 93 HH21 ARG 93 5.865 20.656 -1.627 712 HH12 ARG 93 HH22 ARG 93 4.927 19.691 -0.496 713 HH21 ARG 93 HH11 ARG 93 5.266 16.734 -2.120 714 HH22 ARG 93 HH12 ARG 93 4.571 17.651 -0.784 715 H GLU 94 H GLU 94 9.554 16.711 -0.896 716 HA GLU 94 HA GLU 94 8.534 18.080 1.374 717 HB2 GLU 94 HB2 GLU 94 9.366 15.184 0.974 718 HB3 GLU 94 HB3 GLU 94 8.594 15.775 2.448 719 HG2 GLU 94 HG2 GLU 94 6.646 16.561 1.160 720 HG3 GLU 94 HG3 GLU 94 7.370 15.985 -0.330 721 H ARG 95 H ARG 95 11.623 16.206 1.108 722 HA ARG 95 HA ARG 95 12.545 16.831 3.714 723 HB2 ARG 95 HB2 ARG 95 13.425 15.035 2.293 724 HB3 ARG 95 HB3 ARG 95 14.141 16.216 1.189 725 HG2 ARG 95 HG2 ARG 95 15.669 17.011 2.907 726 HG3 ARG 95 HG3 ARG 95 14.869 16.047 4.159 727 HD2 ARG 95 HD2 ARG 95 16.219 14.879 1.701 728 HD3 ARG 95 HD3 ARG 95 17.042 15.114 3.258 729 HE ARG 95 HE ARG 95 14.873 13.665 4.020 730 HH11 ARG 95 HH11 ARG 95 17.346 13.035 1.552 731 HH12 ARG 95 HH12 ARG 95 17.047 11.281 1.706 732 HH21 ARG 95 HH21 ARG 95 14.703 11.403 4.088 733 HH22 ARG 95 HH22 ARG 95 15.738 10.478 2.990 734 H VAL 96 H VAL 96 13.071 18.713 0.711 735 HA VAL 96 HA VAL 96 14.872 20.569 2.118 736 HB VAL 96 HB VAL 96 13.901 20.450 -0.749 737 HG11 VAL 96 HG11 VAL 96 14.398 22.783 -0.305 738 HG12 VAL 96 HG12 VAL 96 15.890 22.350 0.559 739 HG13 VAL 96 HG13 VAL 96 15.758 22.100 -1.191 740 HG21 VAL 96 HG21 VAL 96 16.237 19.771 -1.195 741 HG22 VAL 96 HG22 VAL 96 16.622 19.883 0.535 742 HG23 VAL 96 HG23 VAL 96 15.500 18.645 -0.065 743 H SER 97 H SER 97 11.540 20.713 0.808 744 HA SER 97 HA SER 97 11.350 23.546 1.671 745 HB2 SER 97 HB2 SER 97 9.617 22.054 -0.311 746 HB3 SER 97 HB3 SER 97 9.611 23.790 0.046 747 HG SER 97 HG SER 97 10.864 23.408 -1.800 748 H GLY 98 H GLY 98 10.129 20.457 2.690 749 HA2 GLY 98 HA2 GLY 98 9.087 20.636 4.933 750 HA3 GLY 98 HA3 GLY 98 7.922 21.773 4.262 751 H SER 99 H SER 99 7.807 18.963 5.495 752 HA SER 99 HA SER 99 6.914 17.167 3.426 753 HB2 SER 99 HB2 SER 99 6.788 16.926 6.447 754 HB3 SER 99 HB3 SER 99 6.491 15.618 5.286 755 HG SER 99 HG SER 99 8.688 15.672 6.082 756 H THR 100 H THR 100 5.273 18.723 2.587 757 HA THR 100 HA THR 100 2.600 17.814 3.492 758 HB THR 100 HB THR 100 2.853 19.974 4.576 759 HG1 THR 100 HG1 THR 100 0.976 20.834 3.795 760 HG21 THR 100 HG21 THR 100 3.202 21.183 1.797 761 HG22 THR 100 HG22 THR 100 3.024 22.067 3.324 762 HG23 THR 100 HG23 THR 100 4.470 21.086 3.040 763 H ALA 101 H ALA 101 0.994 17.875 1.886 764 HA ALA 101 HA ALA 101 1.854 18.422 -0.917 765 HB1 ALA 101 HB1 ALA 101 1.994 15.993 -0.459 766 HB2 ALA 101 HB2 ALA 101 0.288 15.994 0.046 767 HB3 ALA 101 HB3 ALA 101 0.718 16.366 -1.636 768 H GLN 102 H GLN 102 0.118 19.848 1.237 769 HA GLN 102 HA GLN 102 -2.604 19.772 0.226 770 HB2 GLN 102 HB2 GLN 102 -1.178 21.687 2.112 771 HB3 GLN 102 HB3 GLN 102 -2.904 21.742 1.743 772 HG2 GLN 102 HG2 GLN 102 -3.183 19.435 2.613 773 HG3 GLN 102 HG3 GLN 102 -1.468 19.370 3.017 774 HE21 GLN 102 HE22 GLN 102 -2.927 18.826 5.137 775 HE22 GLN 102 HE21 GLN 102 -3.100 20.221 6.195 776 H SER 103 H SER 103 -3.758 21.402 -0.866 777 HA SER 103 HA SER 103 -2.428 22.646 -3.060 778 HB2 SER 103 HB2 SER 103 -5.228 23.144 -1.989 779 HB3 SER 103 HB3 SER 103 -4.622 23.589 -3.593 780 HG SER 103 HG SER 103 -5.772 21.582 -3.623 781 H ALA 104 H ALA 104 -2.189 24.828 -3.630 782 HA ALA 104 HA ALA 104 -1.445 26.680 -1.535 783 HB1 ALA 104 HB1 ALA 104 -0.905 28.169 -3.417 784 HB2 ALA 104 HB2 ALA 104 -0.240 26.547 -3.683 785 HB3 ALA 104 HB3 ALA 104 -1.708 27.064 -4.550 Start of MODEL 13 1 H1 SER 1 H1 SER 1 0.172 8.799 15.061 2 H2 SER 1 H2 SER 1 -0.732 7.796 15.981 3 H3 SER 1 H3 SER 1 0.799 7.375 15.589 4 HA SER 1 HA SER 1 -1.448 7.673 13.700 5 HB2 SER 1 HB2 SER 1 0.869 8.257 12.810 6 HB3 SER 1 HB3 SER 1 1.302 6.551 13.038 7 HG SER 1 HG SER 1 0.482 7.070 10.910 8 H VAL 2 H VAL 2 -1.726 5.497 12.458 9 HA VAL 2 HA VAL 2 -2.505 3.485 14.453 10 HB VAL 2 HB VAL 2 -2.790 3.489 11.421 11 HG11 VAL 2 HG11 VAL 2 -4.106 1.716 13.530 12 HG12 VAL 2 HG12 VAL 2 -4.546 1.775 11.811 13 HG13 VAL 2 HG13 VAL 2 -2.956 1.185 12.277 14 HG21 VAL 2 HG21 VAL 2 -4.081 5.324 12.459 15 HG22 VAL 2 HG22 VAL 2 -5.162 4.058 11.887 16 HG23 VAL 2 HG23 VAL 2 -4.792 4.182 13.619 17 H SER 3 H SER 3 -1.612 1.499 14.807 18 HA SER 3 HA SER 3 1.109 0.993 13.931 19 HB2 SER 3 HB2 SER 3 -0.741 -0.693 15.649 20 HB3 SER 3 HB3 SER 3 1.009 -0.916 15.448 21 HG SER 3 HG SER 3 0.509 0.289 17.347 22 H ILE 4 H ILE 4 0.157 0.985 11.586 23 HA ILE 4 HA ILE 4 -1.103 -1.404 10.620 24 HB ILE 4 HB ILE 4 -0.747 -0.645 8.433 25 HG12 ILE 4 HG12 ILE 4 1.574 -0.007 8.372 26 HG13 ILE 4 HG13 ILE 4 0.545 1.234 7.702 27 HG21 ILE 4 HG21 ILE 4 -1.799 1.532 8.466 28 HG22 ILE 4 HG22 ILE 4 -2.471 0.494 9.736 29 HG23 ILE 4 HG23 ILE 4 -1.328 1.790 10.152 30 HD11 ILE 4 HD11 ILE 4 2.352 2.236 8.972 31 HD12 ILE 4 HD12 ILE 4 0.818 2.596 9.776 32 HD13 ILE 4 HD13 ILE 4 1.906 1.340 10.428 33 H LEU 5 H LEU 5 -0.287 -2.992 9.161 34 HA LEU 5 HA LEU 5 2.588 -3.744 9.506 35 HB2 LEU 5 HB2 LEU 5 0.135 -5.546 9.553 36 HB3 LEU 5 HB3 LEU 5 1.798 -6.117 9.556 37 HG LEU 5 HG LEU 5 0.532 -4.445 11.779 38 HD11 LEU 5 HD11 LEU 5 -0.410 -6.716 11.624 39 HD12 LEU 5 HD12 LEU 5 1.228 -7.410 11.655 40 HD13 LEU 5 HD13 LEU 5 0.599 -6.537 13.069 41 HD21 LEU 5 HD21 LEU 5 2.973 -4.102 11.692 42 HD22 LEU 5 HD22 LEU 5 2.544 -5.104 13.077 43 HD23 LEU 5 HD23 LEU 5 3.237 -5.859 11.624 44 H ARG 6 H ARG 6 3.414 -5.172 7.853 45 HA ARG 6 HA ARG 6 4.052 -5.492 5.681 46 HB2 ARG 6 HB2 ARG 6 1.090 -6.044 5.294 47 HB3 ARG 6 HB3 ARG 6 2.402 -6.566 4.230 48 HG2 ARG 6 HG2 ARG 6 3.381 -7.902 6.088 49 HG3 ARG 6 HG3 ARG 6 2.027 -7.428 7.134 50 HD2 ARG 6 HD2 ARG 6 0.433 -8.474 5.557 51 HD3 ARG 6 HD3 ARG 6 1.786 -8.949 4.508 52 HE ARG 6 HE ARG 6 2.305 -9.960 7.111 53 HH11 ARG 6 HH11 ARG 6 0.022 -10.584 4.533 54 HH12 ARG 6 HH12 ARG 6 -0.202 -12.249 4.998 55 HH21 ARG 6 HH22 ARG 6 1.983 -12.092 7.659 56 HH22 ARG 6 HH21 ARG 6 0.889 -13.077 6.735 57 H SER 7 H SER 7 3.876 -2.821 6.237 58 HA SER 7 HA SER 7 2.545 -1.301 4.168 59 HB2 SER 7 HB2 SER 7 3.926 0.578 5.054 60 HB3 SER 7 HB3 SER 7 2.960 -0.266 6.276 61 HG SER 7 HG SER 7 5.144 0.129 6.965 62 H SER 8 H SER 8 3.630 0.092 2.610 63 HA SER 8 HA SER 8 5.395 -1.415 0.890 64 HB2 SER 8 HB2 SER 8 3.624 0.060 0.054 65 HB3 SER 8 HB3 SER 8 4.496 1.476 0.675 66 HG SER 8 HG SER 8 4.824 0.818 -1.635 67 H VAL 9 H VAL 9 7.399 -0.812 0.067 68 HA VAL 9 HA VAL 9 9.182 0.803 1.847 69 HB VAL 9 HB VAL 9 9.587 -1.670 1.638 70 HG11 VAL 9 HG11 VAL 9 9.180 -1.938 -0.798 71 HG12 VAL 9 HG12 VAL 9 10.646 -0.983 -1.132 72 HG13 VAL 9 HG13 VAL 9 10.766 -2.541 -0.300 73 HG21 VAL 9 HG21 VAL 9 11.307 -0.078 2.439 74 HG22 VAL 9 HG22 VAL 9 11.965 -1.516 1.642 75 HG23 VAL 9 HG23 VAL 9 11.946 0.029 0.776 76 H ASN 10 H ASN 10 7.506 1.188 -0.950 77 HA ASN 10 HA ASN 10 9.298 1.895 -2.957 78 HB2 ASN 10 HB2 ASN 10 6.925 1.582 -3.329 79 HB3 ASN 10 HB3 ASN 10 6.518 2.928 -2.264 80 HD21 ASN 10 HD22 ASN 10 6.046 4.840 -3.286 81 HD22 ASN 10 HD21 ASN 10 6.563 5.221 -4.923 82 H HIS 11 H HIS 11 8.038 4.120 -0.422 83 HA HIS 11 HA HIS 11 9.391 6.491 -1.407 84 HB2 HIS 11 HB2 HIS 11 8.707 7.443 0.728 85 HB3 HIS 11 HB3 HIS 11 7.378 6.508 0.056 86 HD2 HIS 11 HD2 HIS 11 8.955 7.110 3.265 87 HE1 HIS 11 HE1 HIS 11 7.764 3.034 3.631 88 HE2 HIS 11 HE2 HIS 11 8.564 5.084 4.906 89 H ARG 12 H ARG 12 10.350 3.983 0.993 90 HA ARG 12 HA ARG 12 12.824 5.290 1.706 91 HB2 ARG 12 HB2 ARG 12 11.574 3.406 2.949 92 HB3 ARG 12 HB3 ARG 12 12.293 2.292 1.774 93 HG2 ARG 12 HG2 ARG 12 14.582 3.129 2.482 94 HG3 ARG 12 HG3 ARG 12 13.785 4.185 3.647 95 HD2 ARG 12 HD2 ARG 12 14.489 2.330 4.892 96 HD3 ARG 12 HD3 ARG 12 12.743 2.102 4.682 97 HE ARG 12 HE ARG 12 14.281 0.780 2.594 98 HH11 ARG 12 HH11 ARG 12 13.379 0.331 5.954 99 HH12 ARG 12 HH12 ARG 12 13.638 -1.390 5.897 100 HH21 ARG 12 HH21 ARG 12 14.610 -1.434 2.594 101 HH22 ARG 12 HH22 ARG 12 14.312 -2.349 4.039 102 H GLU 13 H GLU 13 11.953 2.952 -0.852 103 HA GLU 13 HA GLU 13 14.607 2.629 -1.870 104 HB2 GLU 13 HB2 GLU 13 12.682 1.116 -2.294 105 HB3 GLU 13 HB3 GLU 13 11.962 2.343 -3.343 106 HG2 GLU 13 HG2 GLU 13 13.887 2.229 -4.862 107 HG3 GLU 13 HG3 GLU 13 14.713 1.110 -3.773 108 H VAL 14 H VAL 14 12.023 5.022 -2.844 109 HA VAL 14 HA VAL 14 13.847 6.278 -4.726 110 HB VAL 14 HB VAL 14 12.263 8.205 -4.719 111 HG11 VAL 14 HG11 VAL 14 11.165 5.452 -5.396 112 HG12 VAL 14 HG12 VAL 14 10.621 6.992 -6.084 113 HG13 VAL 14 HG13 VAL 14 12.257 6.421 -6.410 114 HG21 VAL 14 HG21 VAL 14 10.122 8.149 -3.887 115 HG22 VAL 14 HG22 VAL 14 10.277 6.487 -3.332 116 HG23 VAL 14 HG23 VAL 14 11.171 7.796 -2.506 117 H ASP 15 H ASP 15 13.269 6.867 -1.242 118 HA ASP 15 HA ASP 15 14.913 9.239 -1.194 119 HB2 ASP 15 HB2 ASP 15 13.302 8.546 0.598 120 HB3 ASP 15 HB3 ASP 15 14.437 7.266 1.064 121 H GLU 16 H GLU 16 15.730 5.750 -0.710 122 HA GLU 16 HA GLU 16 18.543 6.095 -0.373 123 HB2 GLU 16 HB2 GLU 16 17.395 3.971 0.065 124 HB3 GLU 16 HB3 GLU 16 16.891 3.865 -1.614 125 HG2 GLU 16 HG2 GLU 16 18.676 2.340 -1.308 126 HG3 GLU 16 HG3 GLU 16 19.232 3.637 -2.352 127 H ALA 17 H ALA 17 16.574 5.798 -3.379 128 HA ALA 17 HA ALA 17 18.785 5.879 -5.160 129 HB1 ALA 17 HB1 ALA 17 15.920 6.827 -5.637 130 HB2 ALA 17 HB2 ALA 17 17.119 6.429 -6.882 131 HB3 ALA 17 HB3 ALA 17 16.506 5.152 -5.817 132 H ILE 18 H ILE 18 16.787 8.543 -3.798 133 HA ILE 18 HA ILE 18 18.173 10.740 -4.989 134 HB ILE 18 HB ILE 18 16.574 10.349 -2.456 135 HG12 ILE 18 HG12 ILE 18 16.035 12.210 -4.789 136 HG13 ILE 18 HG13 ILE 18 15.643 10.491 -4.889 137 HG21 ILE 18 HG21 ILE 18 18.151 12.058 -1.760 138 HG22 ILE 18 HG22 ILE 18 17.927 12.944 -3.283 139 HG23 ILE 18 HG23 ILE 18 16.613 12.831 -2.093 140 HD11 ILE 18 HD11 ILE 18 14.538 12.382 -2.776 141 HD12 ILE 18 HD12 ILE 18 13.688 11.770 -4.208 142 HD13 ILE 18 HD13 ILE 18 14.180 10.653 -2.931 143 H ASP 19 H ASP 19 18.903 9.013 -1.877 144 HA ASP 19 HA ASP 19 21.144 10.661 -1.285 145 HB2 ASP 19 HB2 ASP 19 19.733 8.714 0.041 146 HB3 ASP 19 HB3 ASP 19 21.204 7.825 -0.339 147 H ASN 20 H ASN 20 20.990 7.636 -3.201 148 HA ASN 20 HA ASN 20 23.851 7.482 -3.652 149 HB2 ASN 20 HB2 ASN 20 21.431 6.262 -5.043 150 HB3 ASN 20 HB3 ASN 20 23.069 6.051 -5.659 151 HD21 ASN 20 HD22 ASN 20 21.024 5.458 -2.807 152 HD22 ASN 20 HD21 ASN 20 21.985 4.127 -2.190 153 H ILE 21 H ILE 21 21.200 9.105 -5.459 154 HA ILE 21 HA ILE 21 22.866 10.110 -7.597 155 HB ILE 21 HB ILE 21 20.181 10.916 -6.434 156 HG12 ILE 21 HG12 ILE 21 20.913 9.969 -9.236 157 HG13 ILE 21 HG13 ILE 21 20.551 8.840 -7.927 158 HG21 ILE 21 HG21 ILE 21 21.102 13.043 -7.138 159 HG22 ILE 21 HG22 ILE 21 21.728 12.329 -8.642 160 HG23 ILE 21 HG23 ILE 21 19.986 12.528 -8.382 161 HD11 ILE 21 HD11 ILE 21 18.299 9.867 -7.650 162 HD12 ILE 21 HD12 ILE 21 18.628 10.908 -9.062 163 HD13 ILE 21 HD13 ILE 21 18.563 9.155 -9.250 164 H LEU 22 H LEU 22 21.913 11.509 -4.428 165 HA LEU 22 HA LEU 22 23.248 13.975 -4.641 166 HB2 LEU 22 HB2 LEU 22 21.558 13.326 -2.957 167 HB3 LEU 22 HB3 LEU 22 22.662 12.149 -2.274 168 HG LEU 22 HG LEU 22 24.191 14.008 -1.598 169 HD11 LEU 22 HD11 LEU 22 23.453 15.738 -3.201 170 HD12 LEU 22 HD12 LEU 22 21.824 15.733 -2.482 171 HD13 LEU 22 HD13 LEU 22 23.227 16.303 -1.547 172 HD21 LEU 22 HD21 LEU 22 22.761 14.746 0.283 173 HD22 LEU 22 HD22 LEU 22 21.327 14.107 -0.563 174 HD23 LEU 22 HD23 LEU 22 22.622 13.013 -0.017 175 H ARG 23 H ARG 23 24.508 10.857 -3.335 176 HA ARG 23 HA ARG 23 27.186 11.833 -2.842 177 HB2 ARG 23 HB2 ARG 23 26.026 9.045 -3.211 178 HB3 ARG 23 HB3 ARG 23 27.700 9.352 -2.722 179 HG2 ARG 23 HG2 ARG 23 27.028 10.415 -0.669 180 HG3 ARG 23 HG3 ARG 23 25.333 10.459 -1.160 181 HD2 ARG 23 HD2 ARG 23 25.395 7.915 -1.262 182 HD3 ARG 23 HD3 ARG 23 26.967 7.999 -0.458 183 HE ARG 23 HE ARG 23 24.287 8.815 0.628 184 HH11 ARG 23 HH22 ARG 23 27.681 8.329 1.477 185 HH12 ARG 23 HH21 ARG 23 27.319 8.479 3.175 186 HH21 ARG 23 HH12 ARG 23 23.933 9.002 2.602 187 HH22 ARG 23 HH11 ARG 23 25.192 8.869 3.845 188 H TYR 24 H TYR 24 25.804 10.114 -5.676 189 HA TYR 24 HA TYR 24 28.237 9.894 -7.140 190 HB2 TYR 24 HB2 TYR 24 26.303 8.558 -7.662 191 HB3 TYR 24 HB3 TYR 24 25.312 9.984 -7.929 192 HD1 TYR 24 HD2 TYR 24 28.665 8.819 -9.278 193 HD2 TYR 24 HD1 TYR 24 24.650 10.169 -10.141 194 HE1 TYR 24 HE2 TYR 24 29.151 8.722 -11.707 195 HE2 TYR 24 HE1 TYR 24 25.140 10.032 -12.575 196 HH TYR 24 HH TYR 24 28.332 9.013 -13.849 197 H THR 25 H THR 25 25.707 12.456 -7.258 198 HA THR 25 HA THR 25 27.119 14.030 -9.259 199 HB THR 25 HB THR 25 25.465 15.783 -8.717 200 HG1 THR 25 HG1 THR 25 24.252 13.910 -6.997 201 HG21 THR 25 HG21 THR 25 23.435 14.588 -9.454 202 HG22 THR 25 HG22 THR 25 24.856 14.154 -10.418 203 HG23 THR 25 HG23 THR 25 24.252 13.030 -9.186 204 H ASN 26 H ASN 26 27.588 13.748 -5.864 205 HA ASN 26 HA ASN 26 28.704 14.914 -4.322 206 HB2 ASN 26 HB2 ASN 26 30.980 15.574 -4.924 207 HB3 ASN 26 HB3 ASN 26 30.524 14.002 -5.545 208 HD21 ASN 26 HD22 ASN 26 30.651 13.623 -7.786 209 HD22 ASN 26 HD21 ASN 26 31.201 14.865 -8.896 210 H SER 27 H SER 27 26.516 16.328 -5.255 211 HA SER 27 HA SER 27 27.327 19.173 -4.720 212 HB2 SER 27 HB2 SER 27 25.002 18.055 -6.312 213 HB3 SER 27 HB3 SER 27 25.138 19.752 -5.814 214 HG SER 27 HG SER 27 26.144 19.766 -7.738 215 H THR 28 H THR 28 25.414 20.452 -3.685 216 HA THR 28 HA THR 28 24.631 19.060 -1.211 217 HB THR 28 HB THR 28 23.775 21.163 -0.456 218 HG1 THR 28 HG1 THR 28 24.113 22.935 -2.156 219 HG21 THR 28 HG21 THR 28 26.288 21.838 -2.042 220 HG22 THR 28 HG22 THR 28 25.679 22.638 -0.576 221 HG23 THR 28 HG23 THR 28 26.281 20.972 -0.488 222 H GLU 29 H GLU 29 22.406 18.997 -0.425 223 HA GLU 29 HA GLU 29 20.452 18.093 -2.348 224 HB2 GLU 29 HB2 GLU 29 20.103 19.078 0.515 225 HB3 GLU 29 HB3 GLU 29 18.885 18.206 -0.438 226 HG2 GLU 29 HG2 GLU 29 20.391 16.282 -0.644 227 HG3 GLU 29 HG3 GLU 29 21.620 17.088 0.339 228 H GLN 30 H GLN 30 21.177 21.314 -1.006 229 HA GLN 30 HA GLN 30 18.770 22.588 -1.976 230 HB2 GLN 30 HB2 GLN 30 21.507 23.709 -1.253 231 HB3 GLN 30 HB3 GLN 30 20.099 24.694 -1.632 232 HG2 GLN 30 HG2 GLN 30 20.252 22.713 0.688 233 HG3 GLN 30 HG3 GLN 30 20.547 24.438 0.810 234 HE21 GLN 30 HE22 GLN 30 18.696 23.675 2.517 235 HE22 GLN 30 HE21 GLN 30 17.088 24.083 1.943 236 H GLN 31 H GLN 31 22.097 22.260 -3.417 237 HA GLN 31 HA GLN 31 21.300 23.656 -5.827 238 HB2 GLN 31 HB2 GLN 31 23.690 21.995 -5.020 239 HB3 GLN 31 HB3 GLN 31 23.389 22.321 -6.720 240 HG2 GLN 31 HG2 GLN 31 24.876 24.004 -5.942 241 HG3 GLN 31 HG3 GLN 31 23.331 24.760 -6.293 242 HE21 GLN 31 HE22 GLN 31 22.094 25.697 -4.489 243 HE22 GLN 31 HE21 GLN 31 22.882 25.894 -2.926 244 H PHE 32 H PHE 32 21.127 20.189 -4.891 245 HA PHE 32 HA PHE 32 20.217 19.307 -7.478 246 HB2 PHE 32 HB2 PHE 32 21.106 17.846 -5.670 247 HB3 PHE 32 HB3 PHE 32 19.667 18.169 -4.720 248 HD1 PHE 32 HD1 PHE 32 19.016 17.649 -8.338 249 HD2 PHE 32 HD2 PHE 32 19.649 15.666 -4.554 250 HE1 PHE 32 HE1 PHE 32 17.940 15.614 -9.218 251 HE2 PHE 32 HE2 PHE 32 18.583 13.623 -5.461 252 HZ PHE 32 HZ PHE 32 17.684 13.605 -7.779 253 H LEU 33 H LEU 33 18.393 20.542 -4.601 254 HA LEU 33 HA LEU 33 15.806 20.376 -5.777 255 HB2 LEU 33 HB2 LEU 33 16.307 20.696 -3.406 256 HB3 LEU 33 HB3 LEU 33 16.939 22.290 -3.700 257 HG LEU 33 HG LEU 33 14.689 22.205 -2.654 258 HD11 LEU 33 HD11 LEU 33 15.488 24.227 -3.894 259 HD12 LEU 33 HD12 LEU 33 14.573 23.666 -5.313 260 HD13 LEU 33 HD13 LEU 33 13.729 24.043 -3.809 261 HD21 LEU 33 HD21 LEU 33 13.679 21.327 -5.390 262 HD22 LEU 33 HD22 LEU 33 13.721 20.323 -3.919 263 HD23 LEU 33 HD23 LEU 33 12.700 21.769 -3.984 264 H GLU 34 H GLU 34 18.106 23.127 -5.826 265 HA GLU 34 HA GLU 34 16.513 24.822 -7.468 266 HB2 GLU 34 HB2 GLU 34 19.530 24.576 -7.153 267 HB3 GLU 34 HB3 GLU 34 18.769 25.836 -8.125 268 HG2 GLU 34 HG2 GLU 34 17.559 26.695 -6.185 269 HG3 GLU 34 HG3 GLU 34 18.238 25.442 -5.150 270 H ALA 35 H ALA 35 18.845 22.295 -8.474 271 HA ALA 35 HA ALA 35 18.509 22.798 -11.284 272 HB1 ALA 35 HB1 ALA 35 19.631 20.615 -11.540 273 HB2 ALA 35 HB2 ALA 35 20.443 21.629 -10.336 274 HB3 ALA 35 HB3 ALA 35 19.407 20.290 -9.800 275 H MET 36 H MET 36 16.801 20.489 -9.068 276 HA MET 36 HA MET 36 15.113 19.375 -11.130 277 HB2 MET 36 HB2 MET 36 14.777 19.674 -8.112 278 HB3 MET 36 HB3 MET 36 13.619 18.823 -9.131 279 HG2 MET 36 HG2 MET 36 16.557 18.090 -9.028 280 HG3 MET 36 HG3 MET 36 15.360 17.384 -7.953 281 HE1 MET 36 HE1 MET 36 13.788 15.498 -8.501 282 HE2 MET 36 HE2 MET 36 12.836 16.590 -9.535 283 HE3 MET 36 HE3 MET 36 13.321 14.987 -10.132 284 H GLU 37 H GLU 37 14.612 22.257 -8.993 285 HA GLU 37 HA GLU 37 12.018 22.856 -10.128 286 HB2 GLU 37 HB2 GLU 37 14.068 24.554 -8.649 287 HB3 GLU 37 HB3 GLU 37 12.482 25.143 -9.118 288 HG2 GLU 37 HG2 GLU 37 12.999 22.777 -7.266 289 HG3 GLU 37 HG3 GLU 37 12.571 24.405 -6.757 290 H SER 38 H SER 38 15.331 23.861 -11.074 291 HA SER 38 HA SER 38 14.411 25.727 -13.093 292 HB2 SER 38 HB2 SER 38 17.139 24.433 -12.761 293 HB3 SER 38 HB3 SER 38 16.753 25.824 -13.786 294 HG SER 38 HG SER 38 16.698 25.618 -10.961 295 H THR 39 H THR 39 14.988 22.256 -13.163 296 HA THR 39 HA THR 39 14.973 22.232 -16.159 297 HB THR 39 HB THR 39 15.708 19.914 -15.993 298 HG1 THR 39 HG1 THR 39 16.046 20.380 -13.230 299 HG21 THR 39 HG21 THR 39 17.416 21.874 -14.394 300 HG22 THR 39 HG22 THR 39 17.966 20.310 -15.019 301 HG23 THR 39 HG23 THR 39 17.455 21.589 -16.143 302 H GLY 40 H GLY 40 12.637 22.113 -13.822 303 HA2 GLY 40 HA2 GLY 40 10.361 21.781 -14.205 304 HA3 GLY 40 HA3 GLY 40 10.709 21.003 -15.748 305 H GLY 41 H GLY 41 12.249 19.942 -12.751 306 HA2 GLY 41 HA2 GLY 41 11.812 18.226 -11.286 307 HA3 GLY 41 HA3 GLY 41 10.281 17.913 -12.111 308 H ARG 42 H ARG 42 12.801 17.765 -14.429 309 HA ARG 42 HA ARG 42 12.531 14.817 -14.602 310 HB2 ARG 42 HB2 ARG 42 13.823 16.924 -16.353 311 HB3 ARG 42 HB3 ARG 42 14.100 15.182 -16.542 312 HG2 ARG 42 HG2 ARG 42 11.536 14.900 -16.561 313 HG3 ARG 42 HG3 ARG 42 11.449 16.647 -16.811 314 HD2 ARG 42 HD2 ARG 42 13.161 14.757 -18.472 315 HD3 ARG 42 HD3 ARG 42 11.454 15.102 -18.862 316 HE ARG 42 HE ARG 42 12.734 17.607 -18.594 317 HH11 ARG 42 HH12 ARG 42 12.823 14.932 -20.854 318 HH12 ARG 42 HH11 ARG 42 13.275 15.948 -22.192 319 HH21 ARG 42 HH21 ARG 42 13.288 18.858 -20.356 320 HH22 ARG 42 HH22 ARG 42 13.533 18.121 -21.909 321 H VAL 43 H VAL 43 13.742 13.556 -13.321 322 HA VAL 43 HA VAL 43 16.064 14.435 -11.955 323 HB VAL 43 HB VAL 43 14.661 12.512 -11.285 324 HG11 VAL 43 HG11 VAL 43 14.566 11.281 -13.480 325 HG12 VAL 43 HG12 VAL 43 16.275 10.833 -13.254 326 HG13 VAL 43 HG13 VAL 43 15.044 10.284 -12.108 327 HG21 VAL 43 HG21 VAL 43 16.861 12.936 -10.251 328 HG22 VAL 43 HG22 VAL 43 16.508 11.199 -10.339 329 HG23 VAL 43 HG23 VAL 43 17.649 11.927 -11.478 330 H ARG 44 H ARG 44 15.880 12.800 -15.155 331 HA ARG 44 HA ARG 44 18.684 12.358 -15.417 332 HB2 ARG 44 HB2 ARG 44 18.252 11.946 -17.737 333 HB3 ARG 44 HB3 ARG 44 17.011 11.206 -16.737 334 HG2 ARG 44 HG2 ARG 44 15.444 13.118 -17.327 335 HG3 ARG 44 HG3 ARG 44 16.688 13.753 -18.407 336 HD2 ARG 44 HD2 ARG 44 15.462 10.975 -18.606 337 HD3 ARG 44 HD3 ARG 44 14.935 12.379 -19.547 338 HE ARG 44 HE ARG 44 17.644 12.232 -20.085 339 HH11 ARG 44 HH22 ARG 44 14.986 9.993 -20.537 340 HH12 ARG 44 HH21 ARG 44 15.757 9.207 -21.884 341 HH21 ARG 44 HH11 ARG 44 18.581 11.172 -21.804 342 HH22 ARG 44 HH12 ARG 44 17.745 9.864 -22.574 343 H ILE 45 H ILE 45 16.770 15.245 -16.248 344 HA ILE 45 HA ILE 45 19.052 16.578 -17.520 345 HB ILE 45 HB ILE 45 16.479 17.867 -16.582 346 HG12 ILE 45 HG12 ILE 45 15.759 16.061 -18.011 347 HG13 ILE 45 HG13 ILE 45 15.551 17.591 -18.818 348 HG21 ILE 45 HG21 ILE 45 18.478 18.616 -18.771 349 HG22 ILE 45 HG22 ILE 45 16.984 19.490 -18.399 350 HG23 ILE 45 HG23 ILE 45 18.299 19.433 -17.219 351 HD11 ILE 45 HD11 ILE 45 17.844 15.656 -19.376 352 HD12 ILE 45 HD12 ILE 45 16.348 15.795 -20.320 353 HD13 ILE 45 HD13 ILE 45 17.491 17.150 -20.261 354 H ALA 46 H ALA 46 17.500 16.612 -14.296 355 HA ALA 46 HA ALA 46 19.073 18.751 -13.229 356 HB1 ALA 46 HB1 ALA 46 18.273 17.910 -11.052 357 HB2 ALA 46 HB2 ALA 46 16.959 17.963 -12.246 358 HB3 ALA 46 HB3 ALA 46 17.714 16.408 -11.829 359 H ILE 47 H ILE 47 19.609 15.146 -13.074 360 HA ILE 47 HA ILE 47 22.154 15.495 -11.743 361 HB ILE 47 HB ILE 47 22.608 13.193 -12.086 362 HG12 ILE 47 HG12 ILE 47 20.265 13.111 -14.007 363 HG13 ILE 47 HG13 ILE 47 21.965 12.856 -14.396 364 HG21 ILE 47 HG21 ILE 47 21.000 13.954 -10.341 365 HG22 ILE 47 HG22 ILE 47 19.659 13.533 -11.416 366 HG23 ILE 47 HG23 ILE 47 20.757 12.270 -10.842 367 HD11 ILE 47 HD11 ILE 47 20.194 11.031 -12.723 368 HD12 ILE 47 HD12 ILE 47 20.866 10.719 -14.327 369 HD13 ILE 47 HD13 ILE 47 21.954 10.820 -12.929 370 H ALA 48 H ALA 48 21.299 15.303 -15.269 371 HA ALA 48 HA ALA 48 23.957 15.430 -16.220 372 HB1 ALA 48 HB1 ALA 48 21.368 16.630 -17.298 373 HB2 ALA 48 HB2 ALA 48 22.870 16.436 -18.230 374 HB3 ALA 48 HB3 ALA 48 22.010 15.007 -17.627 375 H LYS 49 H LYS 49 21.805 18.211 -15.267 376 HA LYS 49 HA LYS 49 23.772 20.232 -15.809 377 HB2 LYS 49 HB2 LYS 49 21.317 20.139 -14.006 378 HB3 LYS 49 HB3 LYS 49 22.301 21.590 -14.171 379 HG2 LYS 49 HG2 LYS 49 21.024 20.196 -16.560 380 HG3 LYS 49 HG3 LYS 49 20.242 21.482 -15.634 381 HD2 LYS 49 HD2 LYS 49 22.088 23.032 -16.184 382 HD3 LYS 49 HD3 LYS 49 22.901 21.759 -17.119 383 HE2 LYS 49 HE2 LYS 49 20.934 21.575 -18.613 384 HE3 LYS 49 HE3 LYS 49 20.097 22.825 -17.686 385 HZ1 LYS 49 HZ1 LYS 49 21.860 24.402 -18.335 386 HZ2 LYS 49 HZ2 LYS 49 22.627 23.249 -19.207 387 HZ3 LYS 49 HZ3 LYS 49 21.149 23.778 -19.663 388 H LEU 50 H LEU 50 23.165 18.349 -12.836 389 HA LEU 50 HA LEU 50 25.226 19.713 -11.284 390 HB2 LEU 50 HB2 LEU 50 23.539 17.229 -11.003 391 HB3 LEU 50 HB3 LEU 50 25.025 17.324 -10.080 392 HG LEU 50 HG LEU 50 24.343 19.319 -8.938 393 HD11 LEU 50 HD11 LEU 50 22.994 20.456 -10.666 394 HD12 LEU 50 HD12 LEU 50 21.740 19.207 -10.499 395 HD13 LEU 50 HD13 LEU 50 22.114 20.295 -9.145 396 HD21 LEU 50 HD21 LEU 50 22.470 18.426 -7.643 397 HD22 LEU 50 HD22 LEU 50 22.068 17.286 -8.954 398 HD23 LEU 50 HD23 LEU 50 23.587 17.125 -8.052 399 H LEU 51 H LEU 51 25.368 16.782 -13.375 400 HA LEU 51 HA LEU 51 28.167 16.295 -12.750 401 HB2 LEU 51 HB2 LEU 51 26.332 15.392 -15.001 402 HB3 LEU 51 HB3 LEU 51 27.989 14.827 -14.838 403 HG LEU 51 HG LEU 51 25.925 14.454 -12.629 404 HD11 LEU 51 HD11 LEU 51 25.666 12.170 -13.442 405 HD12 LEU 51 HD12 LEU 51 25.184 13.318 -14.692 406 HD13 LEU 51 HD13 LEU 51 26.762 12.499 -14.808 407 HD21 LEU 51 HD21 LEU 51 28.241 14.257 -11.851 408 HD22 LEU 51 HD22 LEU 51 27.451 12.673 -11.873 409 HD23 LEU 51 HD23 LEU 51 28.598 13.109 -13.158 410 H SER 52 H SER 52 26.547 18.348 -15.100 411 HA SER 52 HA SER 52 28.924 18.941 -16.659 412 HB2 SER 52 HB2 SER 52 26.267 20.399 -16.536 413 HB3 SER 52 HB3 SER 52 27.529 20.629 -17.755 414 HG SER 52 HG SER 52 25.958 18.306 -17.273 415 H LYS 53 H LYS 53 28.652 19.708 -13.554 416 HA LYS 53 HA LYS 53 29.032 22.490 -13.304 417 HB2 LYS 53 HB2 LYS 53 30.026 21.968 -11.118 418 HB3 LYS 53 HB3 LYS 53 28.554 21.039 -11.419 419 HG2 LYS 53 HG2 LYS 53 29.858 19.025 -11.921 420 HG3 LYS 53 HG3 LYS 53 31.370 19.937 -11.840 421 HD2 LYS 53 HD2 LYS 53 31.165 18.673 -9.827 422 HD3 LYS 53 HD3 LYS 53 30.969 20.383 -9.426 423 HE2 LYS 53 HE2 LYS 53 28.481 20.064 -9.393 424 HE3 LYS 53 HE3 LYS 53 28.711 18.361 -9.801 425 HZ1 LYS 53 HZ1 LYS 53 29.724 19.640 -7.313 426 HZ2 LYS 53 HZ2 LYS 53 28.407 18.667 -7.423 427 HZ3 LYS 53 HZ3 LYS 53 29.907 18.054 -7.710 428 H GLN 54 H GLN 54 31.315 20.202 -14.549 429 HA GLN 54 HA GLN 54 33.200 22.368 -15.163 430 HB2 GLN 54 HB2 GLN 54 35.155 21.226 -14.317 431 HB3 GLN 54 HB3 GLN 54 34.018 21.522 -13.005 432 HG2 GLN 54 HG2 GLN 54 33.250 19.121 -13.179 433 HG3 GLN 54 HG3 GLN 54 34.485 18.851 -14.411 434 HE21 GLN 54 HE22 GLN 54 36.820 19.150 -13.730 435 HE22 GLN 54 HE21 GLN 54 37.203 18.899 -12.033 436 H THR 55 H THR 55 34.909 21.638 -16.695 437 HA THR 55 HA THR 55 34.111 19.355 -18.450 438 HB THR 55 HB THR 55 34.648 20.740 -20.423 439 HG1 THR 55 HG1 THR 55 34.801 22.990 -20.157 440 HG21 THR 55 HG21 THR 55 32.477 22.028 -18.717 441 HG22 THR 55 HG22 THR 55 32.601 22.057 -20.490 442 HG23 THR 55 HG23 THR 55 32.283 20.533 -19.649 443 H SER 56 H SER 56 35.787 18.505 -19.817 444 HA SER 56 HA SER 56 38.354 18.362 -18.443 445 HB2 SER 56 HB2 SER 56 38.839 16.640 -20.167 446 HB3 SER 56 HB3 SER 56 37.341 16.349 -19.273 447 HG SER 56 HG SER 56 37.077 16.064 -21.559 448 H GLY 57 H GLY 57 37.174 20.084 -21.259 449 HA2 GLY 57 HA2 GLY 57 39.292 21.881 -21.519 450 HA3 GLY 57 HA3 GLY 57 39.711 20.522 -22.565 451 H GLY 58 H GLY 58 39.570 22.549 -24.015 452 HA2 GLY 58 HA2 GLY 58 36.957 23.370 -25.022 453 HA3 GLY 58 HA3 GLY 58 38.531 23.737 -25.717 454 H SER 59 H SER 59 36.644 23.290 -27.474 455 HA SER 59 HA SER 59 37.396 20.755 -28.785 456 HB2 SER 59 HB2 SER 59 35.283 20.353 -27.446 457 HB3 SER 59 HB3 SER 59 34.477 21.536 -28.492 458 HG SER 59 HG SER 59 34.254 19.327 -29.220 459 H GLY 60 H GLY 60 36.833 20.704 -31.065 460 HA2 GLY 60 HA2 GLY 60 37.495 23.186 -32.401 461 HA3 GLY 60 HA3 GLY 60 37.142 21.642 -33.167 462 H GLY 61 H GLY 61 36.345 24.236 -34.083 463 HA2 GLY 61 HA2 GLY 61 33.524 24.705 -33.550 464 HA3 GLY 61 HA3 GLY 61 34.537 25.484 -34.767 465 H SER 62 H SER 62 35.033 22.386 -35.549 466 HA SER 62 HA SER 62 32.542 21.847 -37.056 467 HB2 SER 62 HB2 SER 62 33.755 21.676 -39.182 468 HB3 SER 62 HB3 SER 62 33.865 23.309 -38.520 469 HG SER 62 HG SER 62 35.910 22.598 -39.255 470 H LYS 63 H LYS 63 32.669 19.740 -38.242 471 HA LYS 63 HA LYS 63 33.694 17.640 -36.486 472 HB2 LYS 63 HB2 LYS 63 31.468 17.622 -37.570 473 HB3 LYS 63 HB3 LYS 63 32.211 17.458 -39.151 474 HG2 LYS 63 HG2 LYS 63 32.766 15.448 -36.932 475 HG3 LYS 63 HG3 LYS 63 31.268 15.390 -37.860 476 HD2 LYS 63 HD2 LYS 63 32.555 15.161 -39.975 477 HD3 LYS 63 HD3 LYS 63 34.067 15.121 -39.044 478 HE2 LYS 63 HE2 LYS 63 33.241 13.149 -37.781 479 HE3 LYS 63 HE3 LYS 63 31.734 13.183 -38.688 480 HZ1 LYS 63 HZ1 LYS 63 33.398 11.566 -39.551 481 HZ2 LYS 63 HZ2 LYS 63 32.942 12.645 -40.706 482 HZ3 LYS 63 HZ3 LYS 63 34.400 12.787 -39.973 483 H LEU 64 H LEU 64 35.702 16.961 -36.540 484 HA LEU 64 HA LEU 64 37.274 16.948 -39.099 485 HB2 LEU 64 HB2 LEU 64 38.128 17.445 -36.223 486 HB3 LEU 64 HB3 LEU 64 39.245 17.313 -37.575 487 HG LEU 64 HG LEU 64 37.086 19.456 -37.342 488 HD11 LEU 64 HD11 LEU 64 38.948 20.971 -36.838 489 HD12 LEU 64 HD12 LEU 64 38.834 19.691 -35.624 490 HD13 LEU 64 HD13 LEU 64 40.093 19.610 -36.878 491 HD21 LEU 64 HD21 LEU 64 38.373 20.569 -39.152 492 HD22 LEU 64 HD22 LEU 64 39.413 19.135 -39.289 493 HD23 LEU 64 HD23 LEU 64 37.684 19.039 -39.694 494 H GLY 65 H GLY 65 35.912 14.751 -36.927 495 HA2 GLY 65 HA2 GLY 65 37.232 12.501 -38.133 496 HA3 GLY 65 HA3 GLY 65 37.866 12.785 -36.510 497 H GLY 66 H GLY 66 36.705 10.413 -36.963 498 HA2 GLY 66 HA2 GLY 66 35.232 8.946 -35.946 499 HA3 GLY 66 HA3 GLY 66 34.527 10.293 -35.064 500 H SER 67 H SER 67 32.553 9.059 -35.396 501 HA SER 67 HA SER 67 31.367 8.512 -37.913 502 HB2 SER 67 HB2 SER 67 30.021 8.964 -35.220 503 HB3 SER 67 HB3 SER 67 29.306 8.151 -36.625 504 HG SER 67 HG SER 67 30.204 6.648 -35.119 505 H GLY 68 H GLY 68 29.421 9.376 -38.863 506 HA2 GLY 68 HA2 GLY 68 29.399 12.230 -39.274 507 HA3 GLY 68 HA3 GLY 68 28.224 11.070 -39.880 508 H GLY 69 H GLY 69 27.416 13.556 -39.130 509 HA2 GLY 69 HA2 GLY 69 26.554 13.850 -36.409 510 HA3 GLY 69 HA3 GLY 69 25.992 14.786 -37.788 511 H SER 70 H SER 70 24.417 13.935 -35.575 512 HA SER 70 HA SER 70 22.690 11.717 -36.374 513 HB2 SER 70 HB2 SER 70 21.438 12.333 -34.321 514 HB3 SER 70 HB3 SER 70 23.159 12.025 -34.042 515 HG SER 70 HG SER 70 22.425 13.930 -32.959 516 H ARG 71 H ARG 71 20.333 11.958 -36.475 517 HA ARG 71 HA ARG 71 19.477 13.917 -38.444 518 HB2 ARG 71 HB2 ARG 71 18.030 11.786 -36.817 519 HB3 ARG 71 HB3 ARG 71 17.183 12.869 -37.923 520 HG2 ARG 71 HG2 ARG 71 18.442 12.072 -39.834 521 HG3 ARG 71 HG3 ARG 71 19.502 11.109 -38.798 522 HD2 ARG 71 HD2 ARG 71 17.907 9.668 -39.859 523 HD3 ARG 71 HD3 ARG 71 17.599 9.694 -38.120 524 HE ARG 71 HE ARG 71 15.794 11.539 -38.858 525 HH11 ARG 71 HH11 ARG 71 16.441 8.562 -40.633 526 HH12 ARG 71 HH12 ARG 71 14.775 8.417 -41.119 527 HH21 ARG 71 HH21 ARG 71 13.759 11.171 -39.299 528 HH22 ARG 71 HH22 ARG 71 13.271 9.911 -40.427 529 H LYS 72 H LYS 72 17.922 15.510 -38.289 530 HA LYS 72 HA LYS 72 17.863 17.114 -35.867 531 HB2 LYS 72 HB2 LYS 72 17.831 18.007 -38.199 532 HB3 LYS 72 HB3 LYS 72 16.201 17.347 -38.415 533 HG2 LYS 72 HG2 LYS 72 15.356 18.806 -36.605 534 HG3 LYS 72 HG3 LYS 72 17.001 19.405 -36.304 535 HD2 LYS 72 HD2 LYS 72 17.075 20.350 -38.600 536 HD3 LYS 72 HD3 LYS 72 15.434 19.737 -38.906 537 HE2 LYS 72 HE2 LYS 72 14.575 21.120 -37.021 538 HE3 LYS 72 HE3 LYS 72 16.205 21.731 -36.722 539 HZ1 LYS 72 HZ1 LYS 72 14.908 23.281 -38.080 540 HZ2 LYS 72 HZ2 LYS 72 16.172 22.731 -38.952 541 HZ3 LYS 72 HZ3 LYS 72 14.666 22.157 -39.238 542 H ASP 73 H ASP 73 15.613 14.830 -37.352 543 HA ASP 73 HA ASP 73 13.590 15.231 -35.244 544 HB2 ASP 73 HB2 ASP 73 12.157 13.890 -36.519 545 HB3 ASP 73 HB3 ASP 73 12.941 14.994 -37.643 546 H LEU 74 H LEU 74 12.888 13.615 -33.827 547 HA LEU 74 HA LEU 74 14.864 11.444 -33.227 548 HB2 LEU 74 HB2 LEU 74 13.155 13.193 -31.430 549 HB3 LEU 74 HB3 LEU 74 13.703 11.607 -30.918 550 HG LEU 74 HG LEU 74 16.067 12.271 -31.253 551 HD11 LEU 74 HD11 LEU 74 16.604 14.723 -31.332 552 HD12 LEU 74 HD12 LEU 74 15.948 14.104 -32.842 553 HD13 LEU 74 HD13 LEU 74 14.905 15.046 -31.753 554 HD21 LEU 74 HD21 LEU 74 16.174 13.677 -29.239 555 HD22 LEU 74 HD22 LEU 74 14.451 14.077 -29.404 556 HD23 LEU 74 HD23 LEU 74 14.956 12.408 -29.054 557 H SER 75 H SER 75 14.165 9.396 -32.762 558 HA SER 75 HA SER 75 11.530 8.593 -33.781 559 HB2 SER 75 HB2 SER 75 12.398 6.303 -33.445 560 HB3 SER 75 HB3 SER 75 13.434 7.305 -34.472 561 HG SER 75 HG SER 75 14.648 6.116 -32.906 562 H VAL 76 H VAL 76 10.123 7.147 -32.613 563 HA VAL 76 HA VAL 76 10.311 6.980 -29.694 564 HB VAL 76 HB VAL 76 9.245 9.179 -30.083 565 HG11 VAL 76 HG11 VAL 76 8.020 8.716 -32.185 566 HG12 VAL 76 HG12 VAL 76 6.906 7.653 -31.297 567 HG13 VAL 76 HG13 VAL 76 6.977 9.384 -30.924 568 HG21 VAL 76 HG21 VAL 76 8.750 7.851 -28.044 569 HG22 VAL 76 HG22 VAL 76 7.441 8.940 -28.520 570 HG23 VAL 76 HG23 VAL 76 7.293 7.208 -28.846 571 H LYS 77 H LYS 77 8.964 5.368 -28.787 572 HA LYS 77 HA LYS 77 7.361 3.649 -30.586 573 HB2 LYS 77 HB2 LYS 77 8.543 1.627 -29.981 574 HB3 LYS 77 HB3 LYS 77 9.650 2.766 -30.741 575 HG2 LYS 77 HG2 LYS 77 10.484 3.430 -28.460 576 HG3 LYS 77 HG3 LYS 77 9.446 2.195 -27.743 577 HD2 LYS 77 HD2 LYS 77 11.687 1.678 -29.749 578 HD3 LYS 77 HD3 LYS 77 11.813 1.486 -27.996 579 HE2 LYS 77 HE2 LYS 77 9.998 -0.230 -28.062 580 HE3 LYS 77 HE3 LYS 77 9.928 -0.079 -29.820 581 HZ1 LYS 77 HZ1 LYS 77 12.321 -0.973 -28.287 582 HZ2 LYS 77 HZ2 LYS 77 11.337 -1.945 -29.153 583 HZ3 LYS 77 HZ3 LYS 77 12.251 -0.834 -29.916 584 H GLY 78 H GLY 78 6.143 2.002 -29.483 585 HA2 GLY 78 HA2 GLY 78 4.829 1.145 -27.769 586 HA3 GLY 78 HA3 GLY 78 5.609 2.207 -26.604 587 H MET 79 H MET 79 2.928 1.723 -26.489 588 HA MET 79 HA MET 79 1.478 3.982 -27.728 589 HB2 MET 79 HB2 MET 79 -0.486 2.794 -27.312 590 HB3 MET 79 HB3 MET 79 0.674 1.594 -27.853 591 HG2 MET 79 HG2 MET 79 -0.244 2.110 -24.996 592 HG3 MET 79 HG3 MET 79 -0.714 0.765 -26.021 593 HE1 MET 79 HE1 MET 79 -0.236 -0.801 -23.913 594 HE2 MET 79 HE2 MET 79 1.327 -0.863 -23.071 595 HE3 MET 79 HE3 MET 79 0.326 0.603 -22.977 596 H LEU 80 H LEU 80 2.975 3.405 -24.738 597 HA LEU 80 HA LEU 80 1.504 5.574 -23.367 598 HB2 LEU 80 HB2 LEU 80 0.388 3.413 -22.823 599 HB3 LEU 80 HB3 LEU 80 1.935 2.746 -22.307 600 HG LEU 80 HG LEU 80 2.015 4.410 -20.443 601 HD11 LEU 80 HD11 LEU 80 -0.055 5.636 -19.844 602 HD12 LEU 80 HD12 LEU 80 0.590 6.216 -21.380 603 HD13 LEU 80 HD13 LEU 80 -0.807 5.121 -21.366 604 HD21 LEU 80 HD21 LEU 80 -0.527 2.736 -20.558 605 HD22 LEU 80 HD22 LEU 80 1.090 2.157 -20.097 606 HD23 LEU 80 HD23 LEU 80 0.262 3.353 -19.088 607 H TYR 81 H TYR 81 2.731 6.650 -21.798 608 HA TYR 81 HA TYR 81 5.640 5.979 -21.653 609 HB2 TYR 81 HB2 TYR 81 4.465 8.766 -21.722 610 HB3 TYR 81 HB3 TYR 81 6.155 8.309 -21.850 611 HD1 TYR 81 HD2 TYR 81 6.763 6.736 -23.926 612 HD2 TYR 81 HD1 TYR 81 3.238 9.217 -23.673 613 HE1 TYR 81 HE2 TYR 81 6.519 6.652 -26.407 614 HE2 TYR 81 HE1 TYR 81 3.006 9.139 -26.147 615 HH TYR 81 HH TYR 81 3.859 8.343 -28.130 616 H ASP 82 H ASP 82 6.744 6.447 -19.744 617 HA ASP 82 HA ASP 82 5.312 7.434 -17.362 618 HB2 ASP 82 HB2 ASP 82 4.743 5.021 -17.486 619 HB3 ASP 82 HB3 ASP 82 6.456 4.616 -17.578 620 H SER 83 H SER 83 6.715 8.008 -15.632 621 HA SER 83 HA SER 83 9.620 7.626 -15.888 622 HB2 SER 83 HB2 SER 83 9.277 9.666 -17.188 623 HB3 SER 83 HB3 SER 83 8.394 10.409 -15.844 624 HG SER 83 HG SER 83 10.771 10.862 -16.100 625 H ASP 84 H ASP 84 10.658 7.594 -13.969 626 HA ASP 84 HA ASP 84 9.108 7.660 -11.488 627 HB2 ASP 84 HB2 ASP 84 10.882 5.961 -12.102 628 HB3 ASP 84 HB3 ASP 84 12.086 7.234 -11.893 629 H SER 85 H SER 85 10.615 10.071 -13.293 630 HA SER 85 HA SER 85 11.972 11.734 -11.505 631 HB2 SER 85 HB2 SER 85 10.200 12.347 -13.890 632 HB3 SER 85 HB3 SER 85 10.996 13.617 -12.970 633 HG SER 85 HG SER 85 12.200 11.520 -14.445 634 H GLN 86 H GLN 86 8.397 11.404 -11.785 635 HA GLN 86 HA GLN 86 7.811 13.686 -10.116 636 HB2 GLN 86 HB2 GLN 86 6.184 11.202 -10.786 637 HB3 GLN 86 HB3 GLN 86 5.541 12.589 -9.914 638 HG2 GLN 86 HG2 GLN 86 6.665 12.696 -12.753 639 HG3 GLN 86 HG3 GLN 86 4.964 12.564 -12.343 640 HE21 GLN 86 HE22 GLN 86 5.522 14.634 -13.945 641 HE22 GLN 86 HE21 GLN 86 5.497 16.137 -13.036 642 H GLN 87 H GLN 87 8.218 10.185 -9.305 643 HA GLN 87 HA GLN 87 7.671 10.564 -6.492 644 HB2 GLN 87 HB2 GLN 87 9.389 8.406 -7.782 645 HB3 GLN 87 HB3 GLN 87 8.694 8.405 -6.160 646 HG2 GLN 87 HG2 GLN 87 6.388 8.595 -7.380 647 HG3 GLN 87 HG3 GLN 87 7.280 8.050 -8.811 648 HE21 GLN 87 HE22 GLN 87 8.754 5.969 -8.312 649 HE22 GLN 87 HE21 GLN 87 7.970 4.777 -7.271 650 H ILE 88 H ILE 88 10.722 10.582 -8.401 651 HA ILE 88 HA ILE 88 12.453 11.065 -6.167 652 HB ILE 88 HB ILE 88 12.754 11.779 -9.111 653 HG12 ILE 88 HG12 ILE 88 12.602 9.342 -8.645 654 HG13 ILE 88 HG13 ILE 88 14.137 9.842 -9.324 655 HG21 ILE 88 HG21 ILE 88 14.775 11.951 -6.836 656 HG22 ILE 88 HG22 ILE 88 15.233 11.911 -8.545 657 HG23 ILE 88 HG23 ILE 88 14.260 13.248 -7.932 658 HD11 ILE 88 HD11 ILE 88 15.241 9.605 -7.141 659 HD12 ILE 88 HD12 ILE 88 13.683 9.222 -6.369 660 HD13 ILE 88 HD13 ILE 88 14.378 8.121 -7.566 661 H LEU 89 H LEU 89 10.816 13.463 -8.361 662 HA LEU 89 HA LEU 89 11.815 15.744 -6.996 663 HB2 LEU 89 HB2 LEU 89 10.676 15.838 -9.218 664 HB3 LEU 89 HB3 LEU 89 9.187 15.250 -8.494 665 HG LEU 89 HG LEU 89 9.007 17.355 -7.140 666 HD11 LEU 89 HD11 LEU 89 10.379 19.298 -7.748 667 HD12 LEU 89 HD12 LEU 89 11.404 18.020 -7.094 668 HD13 LEU 89 HD13 LEU 89 11.342 18.300 -8.853 669 HD21 LEU 89 HD21 LEU 89 8.363 18.792 -9.016 670 HD22 LEU 89 HD22 LEU 89 9.239 17.738 -10.143 671 HD23 LEU 89 HD23 LEU 89 7.821 17.127 -9.267 672 H ASN 90 H ASN 90 8.705 13.991 -6.390 673 HA ASN 90 HA ASN 90 7.858 15.625 -4.265 674 HB2 ASN 90 HB2 ASN 90 6.515 13.898 -5.466 675 HB3 ASN 90 HB3 ASN 90 7.430 12.620 -4.660 676 HD21 ASN 90 HD22 ASN 90 5.091 12.045 -4.083 677 HD22 ASN 90 HD21 ASN 90 4.454 12.780 -2.621 678 H ARG 91 H ARG 91 9.804 12.556 -4.007 679 HA ARG 91 HA ARG 91 10.098 12.869 -1.157 680 HB2 ARG 91 HB2 ARG 91 10.146 10.699 -2.398 681 HB3 ARG 91 HB3 ARG 91 11.681 11.137 -3.105 682 HG2 ARG 91 HG2 ARG 91 11.870 9.554 -1.199 683 HG3 ARG 91 HG3 ARG 91 12.797 11.024 -0.939 684 HD2 ARG 91 HD2 ARG 91 11.521 10.092 1.064 685 HD3 ARG 91 HD3 ARG 91 11.352 11.811 0.710 686 HE ARG 91 HE ARG 91 9.284 9.846 -0.253 687 HH11 ARG 91 HH11 ARG 91 9.912 12.479 2.013 688 HH12 ARG 91 HH12 ARG 91 8.276 13.115 1.754 689 HH21 ARG 91 HH21 ARG 91 7.149 10.748 -0.289 690 HH22 ARG 91 HH22 ARG 91 6.901 12.228 0.638 691 H LEU 92 H LEU 92 12.155 13.987 -3.852 692 HA LEU 92 HA LEU 92 14.366 14.778 -2.179 693 HB2 LEU 92 HB2 LEU 92 14.539 14.385 -4.571 694 HB3 LEU 92 HB3 LEU 92 13.405 15.675 -4.928 695 HG LEU 92 HG LEU 92 15.771 16.120 -5.425 696 HD11 LEU 92 HD11 LEU 92 14.752 18.159 -3.448 697 HD12 LEU 92 HD12 LEU 92 15.825 18.379 -4.831 698 HD13 LEU 92 HD13 LEU 92 14.124 17.960 -5.114 699 HD21 LEU 92 HD21 LEU 92 16.835 15.110 -3.436 700 HD22 LEU 92 HD22 LEU 92 17.328 16.796 -3.670 701 HD23 LEU 92 HD23 LEU 92 16.147 16.397 -2.412 702 H ARG 93 H ARG 93 11.567 16.622 -3.494 703 HA ARG 93 HA ARG 93 12.320 19.110 -2.273 704 HB2 ARG 93 HB2 ARG 93 10.848 18.905 -4.228 705 HB3 ARG 93 HB3 ARG 93 9.595 18.136 -3.243 706 HG2 ARG 93 HG2 ARG 93 9.246 20.145 -1.961 707 HG3 ARG 93 HG3 ARG 93 10.687 20.922 -2.639 708 HD2 ARG 93 HD2 ARG 93 9.689 21.056 -4.830 709 HD3 ARG 93 HD3 ARG 93 8.296 20.083 -4.323 710 HE ARG 93 HE ARG 93 7.909 22.010 -2.626 711 HH11 ARG 93 HH11 ARG 93 9.120 22.676 -5.911 712 HH12 ARG 93 HH12 ARG 93 8.193 24.139 -5.990 713 HH21 ARG 93 HH21 ARG 93 6.885 23.944 -2.827 714 HH22 ARG 93 HH22 ARG 93 7.018 24.867 -4.294 715 H GLU 94 H GLU 94 10.126 16.489 -1.086 716 HA GLU 94 HA GLU 94 9.584 17.883 1.384 717 HB2 GLU 94 HB2 GLU 94 9.428 14.942 0.664 718 HB3 GLU 94 HB3 GLU 94 8.877 15.635 2.203 719 HG2 GLU 94 HG2 GLU 94 7.419 17.214 0.841 720 HG3 GLU 94 HG3 GLU 94 7.797 16.240 -0.574 721 H ARG 95 H ARG 95 12.119 15.347 0.645 722 HA ARG 95 HA ARG 95 13.038 15.392 3.371 723 HB2 ARG 95 HB2 ARG 95 14.677 13.870 2.794 724 HB3 ARG 95 HB3 ARG 95 13.303 13.475 1.794 725 HG2 ARG 95 HG2 ARG 95 14.638 13.507 -0.016 726 HG3 ARG 95 HG3 ARG 95 14.885 15.236 0.213 727 HD2 ARG 95 HD2 ARG 95 17.040 14.324 0.121 728 HD3 ARG 95 HD3 ARG 95 16.762 14.612 1.850 729 HE ARG 95 HE ARG 95 15.954 11.939 1.312 730 HH11 ARG 95 HH11 ARG 95 19.046 13.697 1.266 731 HH12 ARG 95 HH12 ARG 95 19.913 12.142 1.386 732 HH21 ARG 95 HH21 ARG 95 17.228 10.171 1.669 733 HH22 ARG 95 HH22 ARG 95 18.994 10.379 1.589 734 H VAL 96 H VAL 96 13.918 17.499 0.688 735 HA VAL 96 HA VAL 96 16.069 18.700 2.318 736 HB VAL 96 HB VAL 96 16.200 18.420 -0.166 737 HG11 VAL 96 HG11 VAL 96 15.197 19.983 -1.635 738 HG12 VAL 96 HG12 VAL 96 13.878 19.381 -0.645 739 HG13 VAL 96 HG13 VAL 96 14.558 20.984 -0.315 740 HG21 VAL 96 HG21 VAL 96 16.639 21.244 0.900 741 HG22 VAL 96 HG22 VAL 96 17.742 19.871 1.122 742 HG23 VAL 96 HG23 VAL 96 17.423 20.505 -0.505 743 H SER 97 H SER 97 12.675 19.615 1.489 744 HA SER 97 HA SER 97 13.111 22.237 2.770 745 HB2 SER 97 HB2 SER 97 10.979 22.873 1.986 746 HB3 SER 97 HB3 SER 97 11.849 22.068 0.671 747 HG SER 97 HG SER 97 10.597 20.284 0.917 748 H GLY 98 H GLY 98 11.728 19.166 3.806 749 HA2 GLY 98 HA2 GLY 98 9.802 20.154 5.644 750 HA3 GLY 98 HA3 GLY 98 10.503 18.539 5.631 751 H SER 99 H SER 99 9.949 20.985 7.655 752 HA SER 99 HA SER 99 12.365 21.660 8.897 753 HB2 SER 99 HB2 SER 99 9.641 21.388 10.221 754 HB3 SER 99 HB3 SER 99 10.997 22.383 10.781 755 HG SER 99 HG SER 99 9.431 23.605 9.581 756 H THR 100 H THR 100 10.561 18.666 9.267 757 HA THR 100 HA THR 100 11.979 17.764 11.677 758 HB THR 100 HB THR 100 10.827 15.588 11.151 759 HG1 THR 100 HG1 THR 100 9.270 15.647 9.499 760 HG21 THR 100 HG21 THR 100 9.767 17.292 12.620 761 HG22 THR 100 HG22 THR 100 8.985 18.025 11.202 762 HG23 THR 100 HG23 THR 100 8.572 16.370 11.696 763 H ALA 101 H ALA 101 12.528 17.582 8.219 764 HA ALA 101 HA ALA 101 14.580 15.463 8.476 765 HB1 ALA 101 HB1 ALA 101 13.597 17.044 6.061 766 HB2 ALA 101 HB2 ALA 101 14.679 15.636 6.038 767 HB3 ALA 101 HB3 ALA 101 12.998 15.446 6.573 768 H GLN 102 H GLN 102 14.362 18.984 8.018 769 HA GLN 102 HA GLN 102 17.190 19.473 7.661 770 HB2 GLN 102 HB2 GLN 102 14.875 21.220 8.595 771 HB3 GLN 102 HB3 GLN 102 16.522 21.815 8.357 772 HG2 GLN 102 HG2 GLN 102 16.460 21.112 5.986 773 HG3 GLN 102 HG3 GLN 102 14.801 20.556 6.175 774 HE21 GLN 102 HE22 GLN 102 15.064 22.289 4.223 775 HE22 GLN 102 HE21 GLN 102 14.542 23.919 4.696 776 H SER 103 H SER 103 18.635 20.488 9.177 777 HA SER 103 HA SER 103 18.818 19.226 11.729 778 HB2 SER 103 HB2 SER 103 20.268 21.695 10.708 779 HB3 SER 103 HB3 SER 103 20.742 20.693 12.094 780 HG SER 103 HG SER 103 21.900 20.099 10.200 781 H ALA 104 H ALA 104 18.697 20.047 13.825 782 HA ALA 104 HA ALA 104 16.615 21.980 14.392 783 HB1 ALA 104 HB1 ALA 104 18.574 20.555 16.241 784 HB2 ALA 104 HB2 ALA 104 17.127 21.453 16.738 785 HB3 ALA 104 HB3 ALA 104 16.957 19.974 15.768 Start of MODEL 14 1 H1 SER 1 H1 SER 1 -2.306 -2.345 -14.721 2 H2 SER 1 H2 SER 1 -1.561 -1.094 -15.467 3 H3 SER 1 H3 SER 1 -0.685 -2.388 -14.968 4 HA SER 1 HA SER 1 -0.310 -0.561 -13.483 5 HB2 SER 1 HB2 SER 1 -3.324 -0.626 -13.018 6 HB3 SER 1 HB3 SER 1 -2.146 0.422 -12.201 7 HG SER 1 HG SER 1 -3.154 1.487 -13.972 8 H VAL 2 H VAL 2 -0.016 -0.828 -11.179 9 HA VAL 2 HA VAL 2 -0.111 -3.619 -10.293 10 HB VAL 2 HB VAL 2 0.990 -2.836 -8.264 11 HG11 VAL 2 HG11 VAL 2 2.311 -3.410 -10.273 12 HG12 VAL 2 HG12 VAL 2 2.290 -1.705 -10.777 13 HG13 VAL 2 HG13 VAL 2 3.103 -2.183 -9.274 14 HG21 VAL 2 HG21 VAL 2 0.891 -0.026 -9.454 15 HG22 VAL 2 HG22 VAL 2 0.003 -0.581 -8.015 16 HG23 VAL 2 HG23 VAL 2 1.769 -0.535 -8.002 17 H SER 3 H SER 3 -1.007 -4.357 -8.263 18 HA SER 3 HA SER 3 -3.740 -3.473 -7.801 19 HB2 SER 3 HB2 SER 3 -3.745 -5.293 -6.109 20 HB3 SER 3 HB3 SER 3 -3.262 -5.820 -7.732 21 HG SER 3 HG SER 3 -1.868 -6.672 -6.108 22 H ILE 4 H ILE 4 -4.603 -2.949 -5.681 23 HA ILE 4 HA ILE 4 -3.014 -0.913 -4.282 24 HB ILE 4 HB ILE 4 -5.885 -1.860 -4.020 25 HG12 ILE 4 HG12 ILE 4 -6.399 0.514 -4.557 26 HG13 ILE 4 HG13 ILE 4 -4.685 0.856 -4.756 27 HG21 ILE 4 HG21 ILE 4 -5.167 -1.333 -1.735 28 HG22 ILE 4 HG22 ILE 4 -4.452 0.204 -2.287 29 HG23 ILE 4 HG23 ILE 4 -6.207 -0.049 -2.333 30 HD11 ILE 4 HD11 ILE 4 -4.599 -0.493 -6.775 31 HD12 ILE 4 HD12 ILE 4 -6.243 -1.127 -6.472 32 HD13 ILE 4 HD13 ILE 4 -5.992 0.581 -6.883 33 H LEU 5 H LEU 5 -2.033 -1.108 -2.363 34 HA LEU 5 HA LEU 5 -2.271 -3.617 -0.762 35 HB2 LEU 5 HB2 LEU 5 0.284 -2.228 -1.668 36 HB3 LEU 5 HB3 LEU 5 0.231 -3.515 -0.471 37 HG LEU 5 HG LEU 5 -0.626 -3.835 -3.384 38 HD11 LEU 5 HD11 LEU 5 1.915 -4.712 -1.951 39 HD12 LEU 5 HD12 LEU 5 1.468 -5.101 -3.630 40 HD13 LEU 5 HD13 LEU 5 1.783 -3.421 -3.168 41 HD21 LEU 5 HD21 LEU 5 -0.190 -5.897 -1.172 42 HD22 LEU 5 HD22 LEU 5 -1.752 -5.470 -1.915 43 HD23 LEU 5 HD23 LEU 5 -0.508 -6.260 -2.883 44 H ARG 6 H ARG 6 -1.701 -3.439 1.440 45 HA ARG 6 HA ARG 6 -2.498 -0.952 2.693 46 HB2 ARG 6 HB2 ARG 6 -2.979 -3.273 3.517 47 HB3 ARG 6 HB3 ARG 6 -1.271 -3.452 3.941 48 HG2 ARG 6 HG2 ARG 6 -1.465 -1.598 5.565 49 HG3 ARG 6 HG3 ARG 6 -3.148 -1.317 5.067 50 HD2 ARG 6 HD2 ARG 6 -3.750 -3.587 5.842 51 HD3 ARG 6 HD3 ARG 6 -2.066 -3.876 6.323 52 HE ARG 6 HE ARG 6 -2.950 -1.496 7.602 53 HH11 ARG 6 HH11 ARG 6 -3.630 -4.929 7.820 54 HH12 ARG 6 HH12 ARG 6 -4.106 -4.828 9.492 55 HH21 ARG 6 HH21 ARG 6 -3.567 -1.429 9.737 56 HH22 ARG 6 HH22 ARG 6 -4.053 -2.887 10.550 57 H SER 7 H SER 7 0.639 -2.315 1.955 58 HA SER 7 HA SER 7 1.986 0.165 2.839 59 HB2 SER 7 HB2 SER 7 3.743 -1.088 4.014 60 HB3 SER 7 HB3 SER 7 2.160 -1.305 4.776 61 HG SER 7 HG SER 7 3.304 -3.302 4.556 62 H SER 8 H SER 8 4.208 0.346 2.050 63 HA SER 8 HA SER 8 5.066 -1.370 -0.175 64 HB2 SER 8 HB2 SER 8 3.500 0.290 -1.192 65 HB3 SER 8 HB3 SER 8 4.553 1.601 -0.622 66 HG SER 8 HG SER 8 4.876 0.770 -2.865 67 H VAL 9 H VAL 9 7.155 -0.522 -1.077 68 HA VAL 9 HA VAL 9 8.919 0.663 1.039 69 HB VAL 9 HB VAL 9 9.207 -1.787 0.542 70 HG11 VAL 9 HG11 VAL 9 10.469 -2.479 -1.406 71 HG12 VAL 9 HG12 VAL 9 8.968 -1.700 -1.932 72 HG13 VAL 9 HG13 VAL 9 10.511 -0.821 -2.035 73 HG21 VAL 9 HG21 VAL 9 11.712 -0.138 0.085 74 HG22 VAL 9 HG22 VAL 9 10.942 -0.430 1.667 75 HG23 VAL 9 HG23 VAL 9 11.588 -1.785 0.723 76 H ASN 10 H ASN 10 7.437 1.580 -1.721 77 HA ASN 10 HA ASN 10 9.490 2.477 -3.429 78 HB2 ASN 10 HB2 ASN 10 7.826 3.754 -4.534 79 HB3 ASN 10 HB3 ASN 10 7.031 2.290 -3.975 80 HD21 ASN 10 HD22 ASN 10 6.437 5.478 -4.397 81 HD22 ASN 10 HD21 ASN 10 5.346 5.738 -3.041 82 H HIS 11 H HIS 11 8.208 4.077 -0.530 83 HA HIS 11 HA HIS 11 9.445 6.648 -0.937 84 HB2 HIS 11 HB2 HIS 11 8.947 7.010 1.403 85 HB3 HIS 11 HB3 HIS 11 7.566 6.267 0.606 86 HD2 HIS 11 HD2 HIS 11 8.680 6.180 3.854 87 HE1 HIS 11 HE1 HIS 11 8.406 1.980 3.168 88 HE2 HIS 11 HE2 HIS 11 8.573 3.790 4.951 89 H ARG 12 H ARG 12 10.503 3.782 0.973 90 HA ARG 12 HA ARG 12 13.089 4.810 1.681 91 HB2 ARG 12 HB2 ARG 12 12.029 3.013 2.891 92 HB3 ARG 12 HB3 ARG 12 11.894 2.022 1.446 93 HG2 ARG 12 HG2 ARG 12 13.604 1.303 3.136 94 HG3 ARG 12 HG3 ARG 12 14.143 1.399 1.470 95 HD2 ARG 12 HD2 ARG 12 15.782 2.181 3.226 96 HD3 ARG 12 HD3 ARG 12 15.509 3.256 1.867 97 HE ARG 12 HE ARG 12 14.021 3.684 4.436 98 HH11 ARG 12 HH21 ARG 12 16.515 4.878 2.272 99 HH12 ARG 12 HH22 ARG 12 16.338 6.529 2.854 100 HH21 ARG 12 HH11 ARG 12 14.019 5.791 5.244 101 HH22 ARG 12 HH12 ARG 12 15.129 6.960 4.569 102 H GLU 13 H GLU 13 12.058 2.795 -1.085 103 HA GLU 13 HA GLU 13 14.644 2.462 -2.228 104 HB2 GLU 13 HB2 GLU 13 12.595 1.160 -2.751 105 HB3 GLU 13 HB3 GLU 13 11.918 2.567 -3.581 106 HG2 GLU 13 HG2 GLU 13 13.755 2.512 -5.226 107 HG3 GLU 13 HG3 GLU 13 14.525 1.182 -4.349 108 H VAL 14 H VAL 14 12.194 5.062 -2.849 109 HA VAL 14 HA VAL 14 13.911 6.454 -4.727 110 HB VAL 14 HB VAL 14 11.371 7.219 -3.264 111 HG11 VAL 14 HG11 VAL 14 12.529 9.329 -3.656 112 HG12 VAL 14 HG12 VAL 14 12.908 8.849 -5.327 113 HG13 VAL 14 HG13 VAL 14 11.225 9.148 -4.828 114 HG21 VAL 14 HG21 VAL 14 10.367 6.954 -5.475 115 HG22 VAL 14 HG22 VAL 14 11.961 6.690 -6.221 116 HG23 VAL 14 HG23 VAL 14 11.273 5.493 -5.114 117 H ASP 15 H ASP 15 13.405 6.788 -1.185 118 HA ASP 15 HA ASP 15 14.997 9.144 -0.851 119 HB2 ASP 15 HB2 ASP 15 13.362 8.140 0.743 120 HB3 ASP 15 HB3 ASP 15 14.473 6.805 1.040 121 H GLU 16 H GLU 16 15.878 5.652 -0.709 122 HA GLU 16 HA GLU 16 18.710 5.984 -0.430 123 HB2 GLU 16 HB2 GLU 16 17.584 3.863 -0.024 124 HB3 GLU 16 HB3 GLU 16 17.022 3.786 -1.699 125 HG2 GLU 16 HG2 GLU 16 19.317 3.562 -2.519 126 HG3 GLU 16 HG3 GLU 16 19.957 3.797 -0.887 127 H ALA 17 H ALA 17 16.653 5.833 -3.396 128 HA ALA 17 HA ALA 17 18.837 5.967 -5.212 129 HB1 ALA 17 HB1 ALA 17 15.974 6.941 -5.611 130 HB2 ALA 17 HB2 ALA 17 17.155 6.592 -6.884 131 HB3 ALA 17 HB3 ALA 17 16.549 5.272 -5.863 132 H ILE 18 H ILE 18 16.953 8.585 -3.598 133 HA ILE 18 HA ILE 18 18.321 10.777 -4.853 134 HB ILE 18 HB ILE 18 16.748 10.469 -2.286 135 HG12 ILE 18 HG12 ILE 18 16.287 12.184 -4.768 136 HG13 ILE 18 HG13 ILE 18 15.694 10.534 -4.619 137 HG21 ILE 18 HG21 ILE 18 18.123 13.027 -3.238 138 HG22 ILE 18 HG22 ILE 18 16.899 12.934 -1.957 139 HG23 ILE 18 HG23 ILE 18 18.453 12.157 -1.729 140 HD11 ILE 18 HD11 ILE 18 14.866 12.881 -2.867 141 HD12 ILE 18 HD12 ILE 18 13.903 12.028 -4.078 142 HD13 ILE 18 HD13 ILE 18 14.397 11.178 -2.602 143 H ASP 19 H ASP 19 19.117 9.022 -1.736 144 HA ASP 19 HA ASP 19 21.533 10.534 -1.331 145 HB2 ASP 19 HB2 ASP 19 20.738 7.727 -0.471 146 HB3 ASP 19 HB3 ASP 19 22.262 8.482 -0.007 147 H ASN 20 H ASN 20 21.008 7.554 -3.290 148 HA ASN 20 HA ASN 20 23.762 7.165 -3.955 149 HB2 ASN 20 HB2 ASN 20 21.975 5.470 -4.257 150 HB3 ASN 20 HB3 ASN 20 21.220 6.464 -5.500 151 HD21 ASN 20 HD22 ASN 20 24.157 4.550 -4.734 152 HD22 ASN 20 HD21 ASN 20 24.610 4.337 -6.414 153 H ILE 21 H ILE 21 21.217 9.110 -5.601 154 HA ILE 21 HA ILE 21 22.897 10.106 -7.727 155 HB ILE 21 HB ILE 21 20.291 11.024 -6.463 156 HG12 ILE 21 HG12 ILE 21 20.908 10.078 -9.298 157 HG13 ILE 21 HG13 ILE 21 20.490 8.962 -8.005 158 HG21 ILE 21 HG21 ILE 21 21.287 13.114 -7.133 159 HG22 ILE 21 HG22 ILE 21 21.889 12.409 -8.649 160 HG23 ILE 21 HG23 ILE 21 20.150 12.686 -8.392 161 HD11 ILE 21 HD11 ILE 21 18.499 9.431 -9.287 162 HD12 ILE 21 HD12 ILE 21 18.311 10.144 -7.676 163 HD13 ILE 21 HD13 ILE 21 18.692 11.175 -9.074 164 H LEU 22 H LEU 22 22.107 11.385 -4.474 165 HA LEU 22 HA LEU 22 23.499 13.819 -4.656 166 HB2 LEU 22 HB2 LEU 22 21.811 13.030 -2.936 167 HB3 LEU 22 HB3 LEU 22 23.058 12.000 -2.247 168 HG LEU 22 HG LEU 22 24.393 14.075 -1.759 169 HD11 LEU 22 HD11 LEU 22 23.125 16.214 -1.713 170 HD12 LEU 22 HD12 LEU 22 23.336 15.627 -3.369 171 HD13 LEU 22 HD13 LEU 22 21.770 15.429 -2.565 172 HD21 LEU 22 HD21 LEU 22 22.997 14.702 0.186 173 HD22 LEU 22 HD22 LEU 22 21.612 13.850 -0.544 174 HD23 LEU 22 HD23 LEU 22 23.056 12.950 -0.043 175 H ARG 23 H ARG 23 24.692 10.618 -3.516 176 HA ARG 23 HA ARG 23 27.419 11.437 -3.090 177 HB2 ARG 23 HB2 ARG 23 26.312 9.441 -2.098 178 HB3 ARG 23 HB3 ARG 23 26.268 8.671 -3.687 179 HG2 ARG 23 HG2 ARG 23 28.742 8.691 -3.780 180 HG3 ARG 23 HG3 ARG 23 28.810 9.546 -2.224 181 HD2 ARG 23 HD2 ARG 23 27.702 7.632 -1.122 182 HD3 ARG 23 HD3 ARG 23 27.619 6.780 -2.677 183 HE ARG 23 HE ARG 23 30.326 7.496 -2.223 184 HH11 ARG 23 HH11 ARG 23 28.005 5.289 -0.785 185 HH12 ARG 23 HH12 ARG 23 29.246 4.195 -0.246 186 HH21 ARG 23 HH21 ARG 23 31.855 6.051 -1.506 187 HH22 ARG 23 HH22 ARG 23 31.366 4.624 -0.642 188 H TYR 24 H TYR 24 25.842 9.890 -5.933 189 HA TYR 24 HA TYR 24 28.175 9.620 -7.520 190 HB2 TYR 24 HB2 TYR 24 26.111 8.434 -7.963 191 HB3 TYR 24 HB3 TYR 24 25.232 9.938 -8.194 192 HD1 TYR 24 HD2 TYR 24 28.315 8.264 -9.621 193 HD2 TYR 24 HD1 TYR 24 24.662 10.440 -10.386 194 HE1 TYR 24 HE2 TYR 24 28.738 8.132 -12.074 195 HE2 TYR 24 HE1 TYR 24 25.077 10.289 -12.828 196 HH TYR 24 HH TYR 24 26.473 9.500 -14.498 197 H THR 25 H THR 25 25.890 12.392 -7.334 198 HA THR 25 HA THR 25 27.285 13.807 -9.490 199 HB THR 25 HB THR 25 25.671 15.606 -9.089 200 HG1 THR 25 HG1 THR 25 24.426 13.909 -7.205 201 HG21 THR 25 HG21 THR 25 24.389 12.850 -9.290 202 HG22 THR 25 HG22 THR 25 23.612 14.393 -9.698 203 HG23 THR 25 HG23 THR 25 25.017 13.833 -10.624 204 H ASN 26 H ASN 26 27.859 13.670 -6.096 205 HA ASN 26 HA ASN 26 29.037 14.922 -4.647 206 HB2 ASN 26 HB2 ASN 26 30.785 14.190 -6.287 207 HB3 ASN 26 HB3 ASN 26 30.655 15.763 -7.070 208 HD21 ASN 26 HD22 ASN 26 33.056 15.680 -6.469 209 HD22 ASN 26 HD21 ASN 26 33.469 16.302 -4.877 210 H SER 27 H SER 27 26.781 16.021 -4.913 211 HA SER 27 HA SER 27 27.221 18.981 -4.785 212 HB2 SER 27 HB2 SER 27 25.280 17.485 -6.534 213 HB3 SER 27 HB3 SER 27 24.784 19.039 -5.851 214 HG SER 27 HG SER 27 26.407 20.071 -6.900 215 H THR 28 H THR 28 25.289 20.114 -3.712 216 HA THR 28 HA THR 28 24.546 18.633 -1.272 217 HB THR 28 HB THR 28 23.724 20.713 -0.420 218 HG1 THR 28 HG1 THR 28 23.890 22.591 -1.817 219 HG21 THR 28 HG21 THR 28 26.230 20.420 -0.457 220 HG22 THR 28 HG22 THR 28 26.270 21.382 -1.949 221 HG23 THR 28 HG23 THR 28 25.689 22.108 -0.440 222 H GLU 29 H GLU 29 22.302 18.620 -0.441 223 HA GLU 29 HA GLU 29 20.376 17.774 -2.416 224 HB2 GLU 29 HB2 GLU 29 19.975 18.596 0.491 225 HB3 GLU 29 HB3 GLU 29 18.771 17.797 -0.542 226 HG2 GLU 29 HG2 GLU 29 20.306 15.886 -0.857 227 HG3 GLU 29 HG3 GLU 29 21.447 16.623 0.278 228 H GLN 30 H GLN 30 21.025 20.943 -0.916 229 HA GLN 30 HA GLN 30 18.671 22.267 -1.933 230 HB2 GLN 30 HB2 GLN 30 21.426 23.326 -1.165 231 HB3 GLN 30 HB3 GLN 30 20.044 24.341 -1.596 232 HG2 GLN 30 HG2 GLN 30 18.732 23.411 0.282 233 HG3 GLN 30 HG3 GLN 30 20.094 22.376 0.743 234 HE21 GLN 30 HE22 GLN 30 19.014 25.810 0.525 235 HE22 GLN 30 HE21 GLN 30 20.229 26.395 1.651 236 H GLN 31 H GLN 31 22.014 21.889 -3.311 237 HA GLN 31 HA GLN 31 21.406 23.279 -5.755 238 HB2 GLN 31 HB2 GLN 31 23.482 21.187 -5.014 239 HB3 GLN 31 HB3 GLN 31 23.396 21.883 -6.623 240 HG2 GLN 31 HG2 GLN 31 23.724 23.556 -4.089 241 HG3 GLN 31 HG3 GLN 31 25.067 22.963 -5.056 242 HE21 GLN 31 HE22 GLN 31 25.084 25.616 -4.746 243 HE22 GLN 31 HE21 GLN 31 24.505 26.426 -6.195 244 H PHE 32 H PHE 32 21.000 19.822 -4.822 245 HA PHE 32 HA PHE 32 20.134 18.996 -7.441 246 HB2 PHE 32 HB2 PHE 32 21.012 17.501 -5.656 247 HB3 PHE 32 HB3 PHE 32 19.569 17.811 -4.704 248 HD1 PHE 32 HD2 PHE 32 18.869 17.339 -8.311 249 HD2 PHE 32 HD1 PHE 32 19.607 15.301 -4.567 250 HE1 PHE 32 HE2 PHE 32 17.767 15.321 -9.189 251 HE2 PHE 32 HE1 PHE 32 18.527 13.264 -5.493 252 HZ PHE 32 HZ PHE 32 17.569 13.280 -7.776 253 H LEU 33 H LEU 33 18.263 20.176 -4.582 254 HA LEU 33 HA LEU 33 15.703 19.951 -5.815 255 HB2 LEU 33 HB2 LEU 33 16.094 20.235 -3.424 256 HB3 LEU 33 HB3 LEU 33 16.727 21.852 -3.669 257 HG LEU 33 HG LEU 33 14.423 21.678 -2.710 258 HD11 LEU 33 HD11 LEU 33 13.467 23.524 -3.861 259 HD12 LEU 33 HD12 LEU 33 15.221 23.756 -3.825 260 HD13 LEU 33 HD13 LEU 33 14.416 23.227 -5.317 261 HD21 LEU 33 HD21 LEU 33 12.508 21.242 -4.126 262 HD22 LEU 33 HD22 LEU 33 13.550 20.866 -5.507 263 HD23 LEU 33 HD23 LEU 33 13.557 19.812 -4.067 264 H GLU 34 H GLU 34 17.971 22.737 -5.752 265 HA GLU 34 HA GLU 34 16.422 24.430 -7.438 266 HB2 GLU 34 HB2 GLU 34 19.414 24.231 -6.937 267 HB3 GLU 34 HB3 GLU 34 18.695 25.459 -7.992 268 HG2 GLU 34 HG2 GLU 34 17.310 26.300 -6.149 269 HG3 GLU 34 HG3 GLU 34 17.970 25.086 -5.058 270 H ALA 35 H ALA 35 18.842 21.955 -8.384 271 HA ALA 35 HA ALA 35 18.632 22.427 -11.194 272 HB1 ALA 35 HB1 ALA 35 20.491 21.191 -10.129 273 HB2 ALA 35 HB2 ALA 35 19.377 19.877 -9.681 274 HB3 ALA 35 HB3 ALA 35 19.712 20.214 -11.390 275 H MET 36 H MET 36 16.686 20.271 -9.038 276 HA MET 36 HA MET 36 15.088 19.189 -11.223 277 HB2 MET 36 HB2 MET 36 14.746 19.314 -8.199 278 HB3 MET 36 HB3 MET 36 13.537 18.593 -9.268 279 HG2 MET 36 HG2 MET 36 16.450 17.732 -9.214 280 HG3 MET 36 HG3 MET 36 15.191 16.964 -8.259 281 HE1 MET 36 HE1 MET 36 13.471 15.324 -9.039 282 HE2 MET 36 HE2 MET 36 12.650 16.545 -10.037 283 HE3 MET 36 HE3 MET 36 13.070 14.961 -10.736 284 H GLU 37 H GLU 37 14.554 22.025 -9.036 285 HA GLU 37 HA GLU 37 11.990 22.641 -10.199 286 HB2 GLU 37 HB2 GLU 37 14.023 24.413 -8.788 287 HB3 GLU 37 HB3 GLU 37 12.399 24.923 -9.236 288 HG2 GLU 37 HG2 GLU 37 13.101 22.712 -7.277 289 HG3 GLU 37 HG3 GLU 37 12.503 24.312 -6.882 290 H SER 38 H SER 38 15.302 23.871 -11.024 291 HA SER 38 HA SER 38 14.368 25.518 -13.185 292 HB2 SER 38 HB2 SER 38 17.117 24.394 -12.529 293 HB3 SER 38 HB3 SER 38 16.796 25.542 -13.844 294 HG SER 38 HG SER 38 17.410 26.596 -11.867 295 H THR 39 H THR 39 14.945 22.057 -13.117 296 HA THR 39 HA THR 39 14.840 21.927 -16.107 297 HB THR 39 HB THR 39 15.174 19.492 -15.830 298 HG1 THR 39 HG1 THR 39 15.841 20.041 -13.164 299 HG21 THR 39 HG21 THR 39 17.527 19.623 -15.033 300 HG22 THR 39 HG22 THR 39 17.117 20.881 -16.224 301 HG23 THR 39 HG23 THR 39 17.254 21.293 -14.508 302 H GLY 40 H GLY 40 12.591 22.178 -13.635 303 HA2 GLY 40 HA2 GLY 40 10.297 22.069 -13.779 304 HA3 GLY 40 HA3 GLY 40 10.426 21.488 -15.441 305 H GLY 41 H GLY 41 12.026 19.834 -12.764 306 HA2 GLY 41 HA2 GLY 41 11.559 17.833 -11.674 307 HA3 GLY 41 HA3 GLY 41 9.959 17.771 -12.420 308 H ARG 42 H ARG 42 13.399 17.703 -13.612 309 HA ARG 42 HA ARG 42 12.836 14.990 -14.685 310 HB2 ARG 42 HB2 ARG 42 13.727 17.404 -16.267 311 HB3 ARG 42 HB3 ARG 42 14.442 15.849 -16.696 312 HG2 ARG 42 HG2 ARG 42 11.446 16.368 -16.582 313 HG3 ARG 42 HG3 ARG 42 12.424 16.388 -18.044 314 HD2 ARG 42 HD2 ARG 42 13.043 14.071 -17.820 315 HD3 ARG 42 HD3 ARG 42 12.290 13.906 -16.240 316 HE ARG 42 HE ARG 42 11.052 13.407 -18.670 317 HH11 ARG 42 HH11 ARG 42 10.053 15.101 -15.688 318 HH12 ARG 42 HH12 ARG 42 8.405 14.624 -15.975 319 HH21 ARG 42 HH22 ARG 42 9.147 12.838 -18.837 320 HH22 ARG 42 HH21 ARG 42 7.852 13.359 -17.760 321 H VAL 43 H VAL 43 13.940 13.775 -13.363 322 HA VAL 43 HA VAL 43 16.325 14.531 -12.059 323 HB VAL 43 HB VAL 43 14.781 12.774 -11.314 324 HG11 VAL 43 HG11 VAL 43 14.500 11.481 -13.433 325 HG12 VAL 43 HG12 VAL 43 16.177 10.895 -13.264 326 HG13 VAL 43 HG13 VAL 43 14.952 10.479 -12.054 327 HG21 VAL 43 HG21 VAL 43 17.020 13.022 -10.308 328 HG22 VAL 43 HG22 VAL 43 16.466 11.338 -10.298 329 HG23 VAL 43 HG23 VAL 43 17.679 11.854 -11.478 330 H ARG 44 H ARG 44 16.089 12.806 -15.208 331 HA ARG 44 HA ARG 44 18.896 12.276 -15.438 332 HB2 ARG 44 HB2 ARG 44 18.442 11.831 -17.765 333 HB3 ARG 44 HB3 ARG 44 17.186 11.149 -16.745 334 HG2 ARG 44 HG2 ARG 44 15.817 13.302 -17.313 335 HG3 ARG 44 HG3 ARG 44 16.996 13.546 -18.603 336 HD2 ARG 44 HD2 ARG 44 15.262 11.059 -18.246 337 HD3 ARG 44 HD3 ARG 44 14.884 12.436 -19.289 338 HE ARG 44 HE ARG 44 17.496 11.305 -19.885 339 HH11 ARG 44 HH12 ARG 44 14.059 10.845 -20.523 340 HH12 ARG 44 HH11 ARG 44 14.382 10.076 -22.064 341 HH21 ARG 44 HH21 ARG 44 17.808 10.284 -21.826 342 HH22 ARG 44 HH22 ARG 44 16.452 9.722 -22.751 343 H ILE 45 H ILE 45 17.028 15.152 -16.373 344 HA ILE 45 HA ILE 45 19.343 16.500 -17.560 345 HB ILE 45 HB ILE 45 16.703 17.765 -16.763 346 HG12 ILE 45 HG12 ILE 45 17.434 16.483 -19.440 347 HG13 ILE 45 HG13 ILE 45 16.289 15.818 -18.281 348 HG21 ILE 45 HG21 ILE 45 18.767 18.538 -18.896 349 HG22 ILE 45 HG22 ILE 45 17.330 19.469 -18.435 350 HG23 ILE 45 HG23 ILE 45 18.664 19.313 -17.307 351 HD11 ILE 45 HD11 ILE 45 15.007 16.861 -19.968 352 HD12 ILE 45 HD12 ILE 45 14.877 17.881 -18.520 353 HD13 ILE 45 HD13 ILE 45 15.934 18.366 -19.876 354 H ALA 46 H ALA 46 17.675 16.509 -14.393 355 HA ALA 46 HA ALA 46 19.192 18.651 -13.271 356 HB1 ALA 46 HB1 ALA 46 18.321 17.826 -11.126 357 HB2 ALA 46 HB2 ALA 46 17.046 17.819 -12.363 358 HB3 ALA 46 HB3 ALA 46 17.832 16.297 -11.886 359 H ILE 47 H ILE 47 19.792 15.044 -13.118 360 HA ILE 47 HA ILE 47 22.291 15.439 -11.729 361 HB ILE 47 HB ILE 47 22.833 13.170 -12.122 362 HG12 ILE 47 HG12 ILE 47 20.480 13.019 -14.033 363 HG13 ILE 47 HG13 ILE 47 22.175 12.858 -14.457 364 HG21 ILE 47 HG21 ILE 47 21.034 12.176 -10.888 365 HG22 ILE 47 HG22 ILE 47 21.156 13.877 -10.393 366 HG23 ILE 47 HG23 ILE 47 19.863 13.357 -11.486 367 HD11 ILE 47 HD11 ILE 47 22.304 10.804 -13.016 368 HD12 ILE 47 HD12 ILE 47 20.539 10.913 -12.790 369 HD13 ILE 47 HD13 ILE 47 21.211 10.665 -14.406 370 H ALA 48 H ALA 48 21.562 15.253 -15.276 371 HA ALA 48 HA ALA 48 24.238 15.570 -16.146 372 HB1 ALA 48 HB1 ALA 48 23.181 16.541 -18.163 373 HB2 ALA 48 HB2 ALA 48 22.313 15.094 -17.610 374 HB3 ALA 48 HB3 ALA 48 21.642 16.705 -17.286 375 H LYS 49 H LYS 49 21.909 18.141 -15.096 376 HA LYS 49 HA LYS 49 23.676 20.334 -15.541 377 HB2 LYS 49 HB2 LYS 49 21.087 20.271 -15.151 378 HB3 LYS 49 HB3 LYS 49 21.468 20.223 -13.439 379 HG2 LYS 49 HG2 LYS 49 21.043 22.497 -13.927 380 HG3 LYS 49 HG3 LYS 49 22.792 22.383 -13.787 381 HD2 LYS 49 HD2 LYS 49 22.312 23.787 -15.653 382 HD3 LYS 49 HD3 LYS 49 22.911 22.273 -16.339 383 HE2 LYS 49 HE2 LYS 49 20.589 21.557 -16.826 384 HE3 LYS 49 HE3 LYS 49 19.966 23.028 -16.057 385 HZ1 LYS 49 HZ1 LYS 49 21.681 22.985 -18.499 386 HZ2 LYS 49 HZ2 LYS 49 20.080 23.286 -18.480 387 HZ3 LYS 49 HZ3 LYS 49 21.107 24.342 -17.785 388 H LEU 50 H LEU 50 23.163 18.327 -12.614 389 HA LEU 50 HA LEU 50 25.054 19.770 -10.963 390 HB2 LEU 50 HB2 LEU 50 24.048 16.895 -10.821 391 HB3 LEU 50 HB3 LEU 50 24.994 17.692 -9.572 392 HG LEU 50 HG LEU 50 22.210 18.572 -10.415 393 HD11 LEU 50 HD11 LEU 50 23.196 17.033 -7.980 394 HD12 LEU 50 HD12 LEU 50 21.535 17.583 -8.269 395 HD13 LEU 50 HD13 LEU 50 22.237 16.363 -9.321 396 HD21 LEU 50 HD21 LEU 50 23.984 19.486 -8.131 397 HD22 LEU 50 HD22 LEU 50 23.462 20.461 -9.521 398 HD23 LEU 50 HD23 LEU 50 22.273 19.904 -8.347 399 H LEU 51 H LEU 51 25.516 17.060 -13.271 400 HA LEU 51 HA LEU 51 28.342 16.761 -12.557 401 HB2 LEU 51 HB2 LEU 51 26.631 15.739 -14.852 402 HB3 LEU 51 HB3 LEU 51 28.336 15.348 -14.679 403 HG LEU 51 HG LEU 51 26.273 14.703 -12.526 404 HD11 LEU 51 HD11 LEU 51 26.358 12.402 -13.388 405 HD12 LEU 51 HD12 LEU 51 25.724 13.520 -14.610 406 HD13 LEU 51 HD13 LEU 51 27.401 12.932 -14.727 407 HD21 LEU 51 HD21 LEU 51 28.566 14.751 -11.659 408 HD22 LEU 51 HD22 LEU 51 28.002 13.078 -11.779 409 HD23 LEU 51 HD23 LEU 51 29.119 13.720 -12.996 410 H SER 52 H SER 52 26.588 18.734 -14.886 411 HA SER 52 HA SER 52 28.706 19.401 -16.624 412 HB2 SER 52 HB2 SER 52 26.232 21.003 -15.886 413 HB3 SER 52 HB3 SER 52 27.320 21.389 -17.229 414 HG SER 52 HG SER 52 25.829 18.980 -16.901 415 H LYS 53 H LYS 53 28.621 20.342 -13.346 416 HA LYS 53 HA LYS 53 30.126 22.815 -13.605 417 HB2 LYS 53 HB2 LYS 53 30.574 22.636 -11.267 418 HB3 LYS 53 HB3 LYS 53 28.892 22.205 -11.559 419 HG2 LYS 53 HG2 LYS 53 29.495 19.787 -11.360 420 HG3 LYS 53 HG3 LYS 53 31.177 20.233 -11.056 421 HD2 LYS 53 HD2 LYS 53 30.580 21.421 -9.028 422 HD3 LYS 53 HD3 LYS 53 28.856 21.169 -9.297 423 HE2 LYS 53 HE2 LYS 53 30.805 18.835 -9.051 424 HE3 LYS 53 HE3 LYS 53 30.144 19.616 -7.615 425 HZ1 LYS 53 HZ1 LYS 53 27.943 18.969 -8.215 426 HZ2 LYS 53 HZ2 LYS 53 28.351 18.530 -9.740 427 HZ3 LYS 53 HZ3 LYS 53 28.823 17.634 -8.445 428 H GLN 54 H GLN 54 31.023 19.508 -14.082 429 HA GLN 54 HA GLN 54 33.927 19.951 -13.804 430 HB2 GLN 54 HB2 GLN 54 32.316 17.625 -14.929 431 HB3 GLN 54 HB3 GLN 54 34.072 17.661 -14.760 432 HG2 GLN 54 HG2 GLN 54 33.840 17.964 -12.302 433 HG3 GLN 54 HG3 GLN 54 32.084 17.859 -12.451 434 HE21 GLN 54 HE22 GLN 54 33.191 16.076 -10.734 435 HE22 GLN 54 HE21 GLN 54 33.223 14.476 -11.462 436 H THR 55 H THR 55 35.409 19.930 -15.557 437 HA THR 55 HA THR 55 34.332 20.634 -18.259 438 HB THR 55 HB THR 55 36.159 22.339 -18.418 439 HG1 THR 55 HG1 THR 55 37.486 21.741 -16.693 440 HG21 THR 55 HG21 THR 55 33.820 22.991 -17.942 441 HG22 THR 55 HG22 THR 55 34.141 22.858 -16.199 442 HG23 THR 55 HG23 THR 55 34.993 24.073 -17.178 443 H SER 56 H SER 56 35.688 20.321 -20.039 444 HA SER 56 HA SER 56 38.180 18.765 -19.754 445 HB2 SER 56 HB2 SER 56 37.368 16.980 -21.235 446 HB3 SER 56 HB3 SER 56 36.419 17.053 -19.745 447 HG SER 56 HG SER 56 35.078 16.844 -21.611 448 H GLY 57 H GLY 57 39.219 18.388 -21.925 449 HA2 GLY 57 HA2 GLY 57 40.018 19.145 -23.962 450 HA3 GLY 57 HA3 GLY 57 38.497 19.991 -24.215 451 H GLY 58 H GLY 58 39.395 21.875 -25.019 452 HA2 GLY 58 HA2 GLY 58 40.350 23.863 -23.137 453 HA3 GLY 58 HA3 GLY 58 41.625 23.328 -24.234 454 H SER 59 H SER 59 41.258 25.848 -24.466 455 HA SER 59 HA SER 59 39.070 26.692 -26.192 456 HB2 SER 59 HB2 SER 59 40.165 28.903 -26.018 457 HB3 SER 59 HB3 SER 59 39.872 28.147 -24.446 458 HG SER 59 HG SER 59 42.006 29.047 -24.617 459 H GLY 60 H GLY 60 42.009 25.192 -26.951 460 HA2 GLY 60 HA2 GLY 60 41.689 25.569 -29.795 461 HA3 GLY 60 HA3 GLY 60 43.036 26.528 -29.181 462 H GLY 61 H GLY 61 44.037 25.011 -30.851 463 HA2 GLY 61 HA2 GLY 61 45.768 23.505 -31.137 464 HA3 GLY 61 HA3 GLY 61 45.585 22.968 -29.469 465 H SER 62 H SER 62 42.579 22.676 -30.956 466 HA SER 62 HA SER 62 43.007 20.132 -32.353 467 HB2 SER 62 HB2 SER 62 42.838 19.498 -29.926 468 HB3 SER 62 HB3 SER 62 41.222 20.231 -29.884 469 HG SER 62 HG SER 62 41.193 17.937 -30.300 470 H LYS 63 H LYS 63 41.155 19.450 -33.532 471 HA LYS 63 HA LYS 63 38.774 21.146 -33.706 472 HB2 LYS 63 HB2 LYS 63 39.049 21.695 -36.113 473 HB3 LYS 63 HB3 LYS 63 40.192 22.478 -35.048 474 HG2 LYS 63 HG2 LYS 63 41.479 21.957 -36.864 475 HG3 LYS 63 HG3 LYS 63 41.908 20.684 -35.731 476 HD2 LYS 63 HD2 LYS 63 40.415 19.104 -36.985 477 HD3 LYS 63 HD3 LYS 63 39.976 20.427 -38.086 478 HE2 LYS 63 HE2 LYS 63 42.381 20.693 -38.700 479 HE3 LYS 63 HE3 LYS 63 42.806 19.377 -37.605 480 HZ1 LYS 63 HZ1 LYS 63 42.629 18.579 -39.884 481 HZ2 LYS 63 HZ2 LYS 63 41.459 17.872 -38.999 482 HZ3 LYS 63 HZ3 LYS 63 41.092 19.097 -40.030 483 H LEU 64 H LEU 64 37.141 20.373 -35.087 484 HA LEU 64 HA LEU 64 35.648 18.770 -35.634 485 HB2 LEU 64 HB2 LEU 64 37.999 17.679 -37.200 486 HB3 LEU 64 HB3 LEU 64 36.306 17.315 -37.506 487 HG LEU 64 HG LEU 64 37.572 20.072 -37.777 488 HD11 LEU 64 HD11 LEU 64 38.287 18.448 -39.505 489 HD12 LEU 64 HD12 LEU 64 36.585 18.107 -39.884 490 HD13 LEU 64 HD13 LEU 64 37.259 19.724 -40.181 491 HD21 LEU 64 HD21 LEU 64 35.438 20.676 -38.908 492 HD22 LEU 64 HD22 LEU 64 34.756 19.104 -38.436 493 HD23 LEU 64 HD23 LEU 64 35.198 20.307 -37.199 494 H GLY 65 H GLY 65 36.682 18.241 -33.102 495 HA2 GLY 65 HA2 GLY 65 37.233 15.404 -32.751 496 HA3 GLY 65 HA3 GLY 65 36.912 16.582 -31.487 497 H GLY 66 H GLY 66 35.955 13.994 -31.375 498 HA2 GLY 66 HA2 GLY 66 34.056 12.937 -30.600 499 HA3 GLY 66 HA3 GLY 66 33.139 14.416 -30.856 500 H SER 67 H SER 67 31.650 12.441 -31.318 501 HA SER 67 HA SER 67 31.799 11.148 -33.892 502 HB2 SER 67 HB2 SER 67 29.416 11.496 -32.041 503 HB3 SER 67 HB3 SER 67 29.539 10.344 -33.380 504 HG SER 67 HG SER 67 31.246 9.301 -32.258 505 H GLY 68 H GLY 68 30.463 11.392 -35.726 506 HA2 GLY 68 HA2 GLY 68 29.954 14.119 -36.540 507 HA3 GLY 68 HA3 GLY 68 29.656 12.665 -37.481 508 H GLY 69 H GLY 69 28.015 14.941 -37.448 509 HA2 GLY 69 HA2 GLY 69 25.764 15.368 -37.666 510 HA3 GLY 69 HA3 GLY 69 25.383 13.778 -37.020 511 H SER 70 H SER 70 23.898 16.091 -36.451 512 HA SER 70 HA SER 70 24.636 17.349 -33.985 513 HB2 SER 70 HB2 SER 70 21.889 17.132 -35.275 514 HB3 SER 70 HB3 SER 70 22.382 18.300 -34.031 515 HG SER 70 HG SER 70 22.505 19.194 -36.158 516 H ARG 71 H ARG 71 22.657 14.481 -34.641 517 HA ARG 71 HA ARG 71 21.711 14.263 -31.845 518 HB2 ARG 71 HB2 ARG 71 21.317 12.482 -34.283 519 HB3 ARG 71 HB3 ARG 71 20.570 12.215 -32.702 520 HG2 ARG 71 HG2 ARG 71 19.444 14.421 -32.837 521 HG3 ARG 71 HG3 ARG 71 20.146 14.684 -34.446 522 HD2 ARG 71 HD2 ARG 71 18.998 12.659 -35.284 523 HD3 ARG 71 HD3 ARG 71 18.286 12.397 -33.677 524 HE ARG 71 HE ARG 71 17.628 15.032 -34.500 525 HH11 ARG 71 HH11 ARG 71 16.788 11.767 -35.473 526 HH12 ARG 71 HH12 ARG 71 15.235 12.252 -36.094 527 HH21 ARG 71 HH21 ARG 71 15.634 15.582 -35.310 528 HH22 ARG 71 HH22 ARG 71 14.605 14.363 -36.002 529 H LYS 72 H LYS 72 24.388 13.070 -33.603 530 HA LYS 72 HA LYS 72 26.046 11.569 -33.311 531 HB2 LYS 72 HB2 LYS 72 25.355 11.748 -30.348 532 HB3 LYS 72 HB3 LYS 72 26.708 10.869 -31.004 533 HG2 LYS 72 HG2 LYS 72 27.641 12.859 -30.299 534 HG3 LYS 72 HG3 LYS 72 27.579 12.974 -32.048 535 HD2 LYS 72 HD2 LYS 72 27.077 15.105 -31.002 536 HD3 LYS 72 HD3 LYS 72 25.680 14.538 -31.903 537 HE2 LYS 72 HE2 LYS 72 24.641 13.731 -29.772 538 HE3 LYS 72 HE3 LYS 72 26.065 14.277 -28.880 539 HZ1 LYS 72 HZ1 LYS 72 24.259 15.924 -28.805 540 HZ2 LYS 72 HZ2 LYS 72 25.556 16.563 -29.565 541 HZ3 LYS 72 HZ3 LYS 72 24.253 16.071 -30.440 542 H ASP 73 H ASP 73 26.653 9.323 -32.672 543 HA ASP 73 HA ASP 73 24.610 7.518 -33.635 544 HB2 ASP 73 HB2 ASP 73 26.997 7.284 -34.183 545 HB3 ASP 73 HB3 ASP 73 27.373 6.984 -32.480 546 H LEU 74 H LEU 74 23.528 5.853 -32.595 547 HA LEU 74 HA LEU 74 22.174 5.045 -31.019 548 HB2 LEU 74 HB2 LEU 74 24.450 3.838 -30.883 549 HB3 LEU 74 HB3 LEU 74 24.693 4.722 -29.380 550 HG LEU 74 HG LEU 74 22.393 3.742 -28.663 551 HD11 LEU 74 HD11 LEU 74 21.627 2.911 -30.849 552 HD12 LEU 74 HD12 LEU 74 23.036 1.833 -30.950 553 HD13 LEU 74 HD13 LEU 74 21.796 1.582 -29.706 554 HD21 LEU 74 HD21 LEU 74 24.763 1.871 -29.091 555 HD22 LEU 74 HD22 LEU 74 24.540 2.985 -27.721 556 HD23 LEU 74 HD23 LEU 74 23.439 1.617 -27.928 557 H SER 75 H SER 75 21.626 7.568 -30.904 558 HA SER 75 HA SER 75 21.941 8.960 -28.446 559 HB2 SER 75 HB2 SER 75 19.982 10.267 -29.214 560 HB3 SER 75 HB3 SER 75 21.208 10.060 -30.477 561 HG SER 75 HG SER 75 19.052 9.658 -31.252 562 H VAL 76 H VAL 76 19.650 6.473 -29.389 563 HA VAL 76 HA VAL 76 18.912 6.032 -26.557 564 HB VAL 76 HB VAL 76 16.592 5.453 -27.168 565 HG11 VAL 76 HG11 VAL 76 15.700 7.698 -27.239 566 HG12 VAL 76 HG12 VAL 76 17.122 7.647 -26.183 567 HG13 VAL 76 HG13 VAL 76 17.248 8.344 -27.818 568 HG21 VAL 76 HG21 VAL 76 15.571 6.252 -29.240 569 HG22 VAL 76 HG22 VAL 76 17.148 6.802 -29.842 570 HG23 VAL 76 HG23 VAL 76 16.835 5.070 -29.591 571 H LYS 77 H LYS 77 18.084 3.853 -26.177 572 HA LYS 77 HA LYS 77 18.651 1.780 -28.181 573 HB2 LYS 77 HB2 LYS 77 20.280 0.562 -26.831 574 HB3 LYS 77 HB3 LYS 77 20.877 2.167 -27.242 575 HG2 LYS 77 HG2 LYS 77 20.287 2.981 -24.964 576 HG3 LYS 77 HG3 LYS 77 19.709 1.357 -24.542 577 HD2 LYS 77 HD2 LYS 77 21.976 0.438 -24.977 578 HD3 LYS 77 HD3 LYS 77 22.557 2.069 -25.379 579 HE2 LYS 77 HE2 LYS 77 21.952 2.853 -23.098 580 HE3 LYS 77 HE3 LYS 77 21.351 1.237 -22.694 581 HZ1 LYS 77 HZ1 LYS 77 23.621 1.555 -21.883 582 HZ2 LYS 77 HZ2 LYS 77 23.622 0.381 -23.015 583 HZ3 LYS 77 HZ3 LYS 77 24.181 1.875 -23.383 584 H GLY 78 H GLY 78 17.959 -0.331 -27.586 585 HA2 GLY 78 HA2 GLY 78 16.551 -1.899 -26.711 586 HA3 GLY 78 HA3 GLY 78 16.921 -1.172 -25.150 587 H MET 79 H MET 79 15.192 0.742 -27.514 588 HA MET 79 HA MET 79 13.383 2.025 -27.212 589 HB2 MET 79 HB2 MET 79 11.259 0.947 -27.440 590 HB3 MET 79 HB3 MET 79 12.477 0.213 -28.468 591 HG2 MET 79 HG2 MET 79 12.643 -1.724 -27.002 592 HG3 MET 79 HG3 MET 79 11.587 -0.961 -25.812 593 HE1 MET 79 HE1 MET 79 11.216 -1.232 -29.823 594 HE2 MET 79 HE2 MET 79 11.884 -2.781 -29.256 595 HE3 MET 79 HE3 MET 79 10.231 -2.704 -29.897 596 H LEU 80 H LEU 80 14.838 1.965 -24.826 597 HA LEU 80 HA LEU 80 13.175 1.738 -22.512 598 HB2 LEU 80 HB2 LEU 80 15.809 3.038 -23.179 599 HB3 LEU 80 HB3 LEU 80 14.984 3.616 -21.756 600 HG LEU 80 HG LEU 80 16.660 1.935 -21.226 601 HD11 LEU 80 HD11 LEU 80 15.358 0.603 -19.691 602 HD12 LEU 80 HD12 LEU 80 14.681 2.236 -19.760 603 HD13 LEU 80 HD13 LEU 80 13.867 0.893 -20.602 604 HD21 LEU 80 HD21 LEU 80 16.367 -0.427 -21.719 605 HD22 LEU 80 HD22 LEU 80 14.897 -0.087 -22.655 606 HD23 LEU 80 HD23 LEU 80 16.480 0.497 -23.223 607 H TYR 81 H TYR 81 12.049 3.195 -21.297 608 HA TYR 81 HA TYR 81 10.924 5.525 -22.743 609 HB2 TYR 81 HB2 TYR 81 9.479 3.676 -21.851 610 HB3 TYR 81 HB3 TYR 81 9.943 4.153 -20.219 611 HD1 TYR 81 HD1 TYR 81 8.470 5.538 -23.405 612 HD2 TYR 81 HD2 TYR 81 8.615 5.769 -19.098 613 HE1 TYR 81 HE1 TYR 81 6.657 7.248 -23.430 614 HE2 TYR 81 HE2 TYR 81 6.801 7.471 -19.126 615 HH TYR 81 HH TYR 81 5.349 8.706 -20.422 616 H ASP 82 H ASP 82 10.241 7.399 -21.291 617 HA ASP 82 HA ASP 82 12.609 8.633 -20.199 618 HB2 ASP 82 HB2 ASP 82 10.803 9.767 -21.520 619 HB3 ASP 82 HB3 ASP 82 9.726 9.586 -20.133 620 H SER 83 H SER 83 12.830 9.600 -18.084 621 HA SER 83 HA SER 83 12.555 7.552 -16.103 622 HB2 SER 83 HB2 SER 83 13.605 10.382 -15.770 623 HB3 SER 83 HB3 SER 83 13.855 9.021 -14.654 624 HG SER 83 HG SER 83 15.649 9.068 -15.972 625 H ASP 84 H ASP 84 11.539 7.480 -14.113 626 HA ASP 84 HA ASP 84 8.994 8.861 -13.898 627 HB2 ASP 84 HB2 ASP 84 9.278 6.457 -13.425 628 HB3 ASP 84 HB3 ASP 84 10.331 6.850 -12.058 629 H SER 85 H SER 85 10.277 10.979 -13.810 630 HA SER 85 HA SER 85 11.826 11.697 -11.543 631 HB2 SER 85 HB2 SER 85 10.349 13.425 -13.553 632 HB3 SER 85 HB3 SER 85 11.487 14.044 -12.341 633 HG SER 85 HG SER 85 12.058 12.139 -14.403 634 H GLN 86 H GLN 86 8.313 11.666 -11.763 635 HA GLN 86 HA GLN 86 7.756 13.828 -9.997 636 HB2 GLN 86 HB2 GLN 86 6.140 11.329 -10.668 637 HB3 GLN 86 HB3 GLN 86 5.520 12.706 -9.748 638 HG2 GLN 86 HG2 GLN 86 5.978 14.214 -11.668 639 HG3 GLN 86 HG3 GLN 86 6.531 12.836 -12.621 640 HE21 GLN 86 HE22 GLN 86 4.588 14.144 -13.860 641 HE22 GLN 86 HE21 GLN 86 3.041 13.334 -13.667 642 H GLN 87 H GLN 87 8.239 10.332 -9.180 643 HA GLN 87 HA GLN 87 7.667 10.716 -6.374 644 HB2 GLN 87 HB2 GLN 87 9.319 8.565 -7.776 645 HB3 GLN 87 HB3 GLN 87 8.871 8.571 -6.063 646 HG2 GLN 87 HG2 GLN 87 6.437 8.642 -6.757 647 HG3 GLN 87 HG3 GLN 87 6.962 8.375 -8.421 648 HE21 GLN 87 HE22 GLN 87 7.850 6.249 -8.997 649 HE22 GLN 87 HE21 GLN 87 7.704 4.898 -7.862 650 H ILE 88 H ILE 88 10.718 10.913 -8.244 651 HA ILE 88 HA ILE 88 12.436 11.323 -5.952 652 HB ILE 88 HB ILE 88 12.772 11.939 -8.917 653 HG12 ILE 88 HG12 ILE 88 14.491 10.190 -8.840 654 HG13 ILE 88 HG13 ILE 88 14.214 9.934 -7.118 655 HG21 ILE 88 HG21 ILE 88 14.150 13.594 -7.708 656 HG22 ILE 88 HG22 ILE 88 14.823 12.310 -6.683 657 HG23 ILE 88 HG23 ILE 88 15.184 12.359 -8.419 658 HD11 ILE 88 HD11 ILE 88 12.195 9.365 -9.322 659 HD12 ILE 88 HD12 ILE 88 13.278 8.167 -8.593 660 HD13 ILE 88 HD13 ILE 88 12.030 8.929 -7.599 661 H LEU 89 H LEU 89 10.787 13.599 -8.200 662 HA LEU 89 HA LEU 89 11.647 15.993 -6.942 663 HB2 LEU 89 HB2 LEU 89 10.602 15.791 -9.178 664 HB3 LEU 89 HB3 LEU 89 9.090 15.283 -8.478 665 HG LEU 89 HG LEU 89 9.202 17.604 -9.394 666 HD11 LEU 89 HD11 LEU 89 7.785 18.606 -7.777 667 HD12 LEU 89 HD12 LEU 89 7.444 16.872 -7.771 668 HD13 LEU 89 HD13 LEU 89 8.410 17.598 -6.464 669 HD21 LEU 89 HD21 LEU 89 10.768 18.273 -6.870 670 HD22 LEU 89 HD22 LEU 89 11.427 18.246 -8.518 671 HD23 LEU 89 HD23 LEU 89 10.158 19.406 -8.090 672 H ASN 90 H ASN 90 8.600 14.119 -6.270 673 HA ASN 90 HA ASN 90 7.737 15.739 -4.129 674 HB2 ASN 90 HB2 ASN 90 6.302 14.031 -5.085 675 HB3 ASN 90 HB3 ASN 90 7.405 12.741 -4.607 676 HD21 ASN 90 HD22 ASN 90 7.307 11.950 -2.446 677 HD22 ASN 90 HD21 ASN 90 6.389 12.753 -1.181 678 H ARG 91 H ARG 91 9.898 12.804 -3.874 679 HA ARG 91 HA ARG 91 10.140 13.204 -1.034 680 HB2 ARG 91 HB2 ARG 91 10.361 11.003 -2.142 681 HB3 ARG 91 HB3 ARG 91 11.852 11.532 -2.914 682 HG2 ARG 91 HG2 ARG 91 12.297 10.100 -0.955 683 HG3 ARG 91 HG3 ARG 91 12.960 11.717 -0.714 684 HD2 ARG 91 HD2 ARG 91 10.936 12.305 0.649 685 HD3 ARG 91 HD3 ARG 91 10.364 10.631 0.462 686 HE ARG 91 HE ARG 91 12.987 10.479 1.501 687 HH11 ARG 91 HH11 ARG 91 9.938 11.858 2.644 688 HH12 ARG 91 HH12 ARG 91 10.436 11.680 4.313 689 HH21 ARG 91 HH21 ARG 91 13.543 10.355 3.500 690 HH22 ARG 91 HH22 ARG 91 12.476 10.832 4.817 691 H LEU 92 H LEU 92 12.094 14.475 -3.721 692 HA LEU 92 HA LEU 92 14.160 15.496 -1.969 693 HB2 LEU 92 HB2 LEU 92 14.363 15.038 -4.426 694 HB3 LEU 92 HB3 LEU 92 13.309 16.413 -4.743 695 HG LEU 92 HG LEU 92 15.016 17.925 -3.708 696 HD11 LEU 92 HD11 LEU 92 16.186 16.373 -2.181 697 HD12 LEU 92 HD12 LEU 92 16.721 15.395 -3.573 698 HD13 LEU 92 HD13 LEU 92 17.313 17.058 -3.347 699 HD21 LEU 92 HD21 LEU 92 14.995 17.566 -6.106 700 HD22 LEU 92 HD22 LEU 92 16.677 17.629 -5.557 701 HD23 LEU 92 HD23 LEU 92 15.955 16.066 -5.938 702 H ARG 93 H ARG 93 11.021 16.846 -3.122 703 HA ARG 93 HA ARG 93 11.377 19.438 -1.824 704 HB2 ARG 93 HB2 ARG 93 8.937 17.898 -2.807 705 HB3 ARG 93 HB3 ARG 93 8.807 19.423 -1.928 706 HG2 ARG 93 HG2 ARG 93 10.219 20.549 -3.639 707 HG3 ARG 93 HG3 ARG 93 10.285 19.038 -4.570 708 HD2 ARG 93 HD2 ARG 93 7.805 19.067 -4.761 709 HD3 ARG 93 HD3 ARG 93 7.747 20.548 -3.789 710 HE ARG 93 HE ARG 93 9.451 21.086 -6.000 711 HH11 ARG 93 HH11 ARG 93 6.012 20.476 -5.520 712 HH12 ARG 93 HH12 ARG 93 5.591 21.423 -6.923 713 HH21 ARG 93 HH21 ARG 93 8.872 22.288 -7.621 714 HH22 ARG 93 HH22 ARG 93 7.192 22.452 -8.109 715 H GLU 94 H GLU 94 9.967 16.317 -0.678 716 HA GLU 94 HA GLU 94 9.307 17.259 1.933 717 HB2 GLU 94 HB2 GLU 94 10.294 14.536 1.014 718 HB3 GLU 94 HB3 GLU 94 9.708 14.875 2.645 719 HG2 GLU 94 HG2 GLU 94 7.505 15.468 1.797 720 HG3 GLU 94 HG3 GLU 94 8.049 15.282 0.133 721 H ARG 95 H ARG 95 12.397 15.695 0.857 722 HA ARG 95 HA ARG 95 13.799 15.967 3.303 723 HB2 ARG 95 HB2 ARG 95 14.664 15.747 0.396 724 HB3 ARG 95 HB3 ARG 95 15.856 15.935 1.681 725 HG2 ARG 95 HG2 ARG 95 15.152 13.921 2.789 726 HG3 ARG 95 HG3 ARG 95 13.796 13.687 1.670 727 HD2 ARG 95 HD2 ARG 95 15.194 13.146 -0.135 728 HD3 ARG 95 HD3 ARG 95 16.590 13.963 0.556 729 HE ARG 95 HE ARG 95 15.499 11.388 1.676 730 HH11 ARG 95 HH11 ARG 95 18.433 13.296 0.949 731 HH12 ARG 95 HH12 ARG 95 19.397 11.819 1.140 732 HH21 ARG 95 HH21 ARG 95 16.941 9.786 2.141 733 HH22 ARG 95 HH22 ARG 95 18.637 10.039 1.802 734 H VAL 96 H VAL 96 13.718 18.309 0.589 735 HA VAL 96 HA VAL 96 15.611 20.051 2.053 736 HB VAL 96 HB VAL 96 14.480 20.253 -0.751 737 HG11 VAL 96 HG11 VAL 96 16.409 21.813 -1.118 738 HG12 VAL 96 HG12 VAL 96 15.199 22.474 -0.022 739 HG13 VAL 96 HG13 VAL 96 16.711 21.802 0.632 740 HG21 VAL 96 HG21 VAL 96 15.939 18.268 -0.440 741 HG22 VAL 96 HG22 VAL 96 16.766 19.492 -1.391 742 HG23 VAL 96 HG23 VAL 96 17.170 19.293 0.327 743 H SER 97 H SER 97 12.176 20.148 1.101 744 HA SER 97 HA SER 97 11.968 22.886 2.239 745 HB2 SER 97 HB2 SER 97 10.094 21.551 0.269 746 HB3 SER 97 HB3 SER 97 10.067 23.228 0.826 747 HG SER 97 HG SER 97 11.129 23.122 -1.166 748 H GLY 98 H GLY 98 11.040 19.631 3.059 749 HA2 GLY 98 HA2 GLY 98 8.597 20.293 4.496 750 HA3 GLY 98 HA3 GLY 98 9.561 18.826 4.637 751 H SER 99 H SER 99 8.494 19.701 6.884 752 HA SER 99 HA SER 99 10.770 20.670 8.522 753 HB2 SER 99 HB2 SER 99 9.329 22.246 9.726 754 HB3 SER 99 HB3 SER 99 9.464 22.668 8.009 755 HG SER 99 HG SER 99 7.290 22.803 8.731 756 H THR 100 H THR 100 10.416 20.418 10.843 757 HA THR 100 HA THR 100 10.155 19.081 12.635 758 HB THR 100 HB THR 100 7.248 18.700 11.901 759 HG1 THR 100 HG1 THR 100 7.635 20.842 11.465 760 HG21 THR 100 HG21 THR 100 6.943 19.179 14.315 761 HG22 THR 100 HG22 THR 100 8.004 17.785 14.099 762 HG23 THR 100 HG23 THR 100 8.699 19.370 14.512 763 H ALA 101 H ALA 101 11.281 17.657 10.557 764 HA ALA 101 HA ALA 101 10.008 15.236 9.872 765 HB1 ALA 101 HB1 ALA 101 12.233 14.589 9.042 766 HB2 ALA 101 HB2 ALA 101 11.866 16.272 8.633 767 HB3 ALA 101 HB3 ALA 101 12.979 15.907 9.973 768 H GLN 102 H GLN 102 11.722 15.976 12.832 769 HA GLN 102 HA GLN 102 12.218 13.271 13.700 770 HB2 GLN 102 HB2 GLN 102 13.390 15.300 14.530 771 HB3 GLN 102 HB3 GLN 102 11.890 15.867 15.257 772 HG2 GLN 102 HG2 GLN 102 13.343 14.947 16.956 773 HG3 GLN 102 HG3 GLN 102 11.896 13.968 16.829 774 HE21 GLN 102 HE22 GLN 102 13.378 12.410 18.059 775 HE22 GLN 102 HE21 GLN 102 14.434 11.393 17.089 776 H SER 103 H SER 103 9.290 15.128 13.527 777 HA SER 103 HA SER 103 7.193 14.931 14.302 778 HB2 SER 103 HB2 SER 103 7.550 12.658 13.218 779 HB3 SER 103 HB3 SER 103 7.691 12.001 14.860 780 HG SER 103 HG SER 103 5.513 11.961 13.974 781 H ALA 104 H ALA 104 5.823 13.786 16.231 782 HA ALA 104 HA ALA 104 6.670 15.213 18.626 783 HB1 ALA 104 HB1 ALA 104 4.474 14.509 19.488 784 HB2 ALA 104 HB2 ALA 104 4.327 15.210 17.869 785 HB3 ALA 104 HB3 ALA 104 4.246 13.444 18.084 Start of MODEL 15 1 H1 SER 1 H1 SER 1 2.465 -10.282 6.903 2 H2 SER 1 H2 SER 1 2.468 -10.020 8.518 3 H3 SER 1 H3 SER 1 2.126 -8.794 7.479 4 HA SER 1 HA SER 1 4.699 -10.218 7.714 5 HB2 SER 1 HB2 SER 1 4.088 -7.846 5.916 6 HB3 SER 1 HB3 SER 1 5.650 -8.663 6.118 7 HG SER 1 HG SER 1 4.491 -9.465 4.299 8 H VAL 2 H VAL 2 3.626 -6.728 7.841 9 HA VAL 2 HA VAL 2 4.854 -6.521 10.551 10 HB VAL 2 HB VAL 2 5.782 -4.319 9.996 11 HG11 VAL 2 HG11 VAL 2 6.922 -6.482 8.193 12 HG12 VAL 2 HG12 VAL 2 7.768 -5.062 8.842 13 HG13 VAL 2 HG13 VAL 2 7.216 -6.335 9.942 14 HG21 VAL 2 HG21 VAL 2 5.214 -4.981 7.074 15 HG22 VAL 2 HG22 VAL 2 4.411 -3.709 8.024 16 HG23 VAL 2 HG23 VAL 2 6.142 -3.599 7.688 17 H SER 3 H SER 3 4.078 -4.752 11.838 18 HA SER 3 HA SER 3 1.256 -4.345 11.712 19 HB2 SER 3 HB2 SER 3 3.353 -2.800 13.286 20 HB3 SER 3 HB3 SER 3 1.606 -2.810 13.593 21 HG SER 3 HG SER 3 2.723 -4.313 14.943 22 H ILE 4 H ILE 4 -0.006 -2.606 11.159 23 HA ILE 4 HA ILE 4 0.749 -1.145 8.894 24 HB ILE 4 HB ILE 4 -1.368 -0.076 8.959 25 HG12 ILE 4 HG12 ILE 4 -1.604 0.690 11.229 26 HG13 ILE 4 HG13 ILE 4 -3.004 -0.225 10.720 27 HG21 ILE 4 HG21 ILE 4 -1.688 -2.941 9.928 28 HG22 ILE 4 HG22 ILE 4 -2.842 -1.989 8.978 29 HG23 ILE 4 HG23 ILE 4 -1.273 -2.422 8.282 30 HD11 ILE 4 HD11 ILE 4 -0.862 -1.160 12.671 31 HD12 ILE 4 HD12 ILE 4 -2.541 -0.737 13.016 32 HD13 ILE 4 HD13 ILE 4 -2.187 -2.188 12.067 33 H LEU 5 H LEU 5 1.382 -0.192 12.141 34 HA LEU 5 HA LEU 5 1.584 2.653 11.700 35 HB2 LEU 5 HB2 LEU 5 1.233 1.521 13.894 36 HB3 LEU 5 HB3 LEU 5 2.853 0.834 13.791 37 HG LEU 5 HG LEU 5 3.839 3.106 13.937 38 HD11 LEU 5 HD11 LEU 5 2.388 5.024 14.578 39 HD12 LEU 5 HD12 LEU 5 2.062 4.481 12.933 40 HD13 LEU 5 HD13 LEU 5 0.948 4.035 14.247 41 HD21 LEU 5 HD21 LEU 5 3.410 1.796 15.976 42 HD22 LEU 5 HD22 LEU 5 3.251 3.534 16.274 43 HD23 LEU 5 HD23 LEU 5 1.794 2.525 16.112 44 H ARG 6 H ARG 6 3.664 0.009 10.790 45 HA ARG 6 HA ARG 6 6.167 1.567 10.751 46 HB2 ARG 6 HB2 ARG 6 5.527 -1.170 9.569 47 HB3 ARG 6 HB3 ARG 6 7.126 -0.464 9.723 48 HG2 ARG 6 HG2 ARG 6 5.291 -1.335 11.997 49 HG3 ARG 6 HG3 ARG 6 6.755 -2.143 11.459 50 HD2 ARG 6 HD2 ARG 6 6.609 0.615 12.751 51 HD3 ARG 6 HD3 ARG 6 7.101 -0.889 13.542 52 HE ARG 6 HE ARG 6 8.813 -0.684 11.362 53 HH11 ARG 6 HH11 ARG 6 8.231 1.259 14.225 54 HH12 ARG 6 HH12 ARG 6 9.855 1.889 14.239 55 HH21 ARG 6 HH21 ARG 6 10.863 0.173 11.431 56 HH22 ARG 6 HH22 ARG 6 11.305 1.279 12.697 57 H SER 7 H SER 7 7.287 2.303 8.981 58 HA SER 7 HA SER 7 5.774 3.237 6.718 59 HB2 SER 7 HB2 SER 7 8.788 3.168 7.112 60 HB3 SER 7 HB3 SER 7 7.897 4.133 5.921 61 HG SER 7 HG SER 7 8.410 5.360 7.816 62 H SER 8 H SER 8 5.936 2.700 4.509 63 HA SER 8 HA SER 8 6.413 -0.116 3.923 64 HB2 SER 8 HB2 SER 8 5.506 0.402 1.739 65 HB3 SER 8 HB3 SER 8 4.500 1.139 2.997 66 HG SER 8 HG SER 8 4.892 2.647 1.349 67 H VAL 9 H VAL 9 7.664 -0.856 2.041 68 HA VAL 9 HA VAL 9 10.386 -0.156 2.223 69 HB VAL 9 HB VAL 9 9.473 -2.323 1.462 70 HG11 VAL 9 HG11 VAL 9 9.118 -1.022 -1.270 71 HG12 VAL 9 HG12 VAL 9 8.901 -2.731 -0.859 72 HG13 VAL 9 HG13 VAL 9 7.791 -1.523 -0.196 73 HG21 VAL 9 HG21 VAL 9 11.253 -2.872 -0.089 74 HG22 VAL 9 HG22 VAL 9 11.516 -1.162 -0.472 75 HG23 VAL 9 HG23 VAL 9 11.860 -1.779 1.161 76 H ASN 10 H ASN 10 7.951 1.329 0.166 77 HA ASN 10 HA ASN 10 9.636 2.525 -1.770 78 HB2 ASN 10 HB2 ASN 10 7.213 2.400 -1.974 79 HB3 ASN 10 HB3 ASN 10 7.006 3.484 -0.592 80 HD21 ASN 10 HD22 ASN 10 8.758 3.446 -3.809 81 HD22 ASN 10 HD21 ASN 10 8.181 5.070 -4.198 82 H HIS 11 H HIS 11 9.158 3.447 1.628 83 HA HIS 11 HA HIS 11 10.251 6.122 1.371 84 HB2 HIS 11 HB2 HIS 11 9.963 4.240 3.750 85 HB3 HIS 11 HB3 HIS 11 10.636 5.857 3.872 86 HD2 HIS 11 HD2 HIS 11 7.279 4.111 2.992 87 HE1 HIS 11 HE1 HIS 11 6.393 8.163 3.973 88 HE2 HIS 11 HE2 HIS 11 5.385 5.896 3.393 89 H ARG 12 H ARG 12 11.827 3.049 2.468 90 HA ARG 12 HA ARG 12 14.469 4.236 2.392 91 HB2 ARG 12 HB2 ARG 12 15.344 2.012 2.705 92 HB3 ARG 12 HB3 ARG 12 14.065 2.380 3.855 93 HG2 ARG 12 HG2 ARG 12 12.474 0.991 2.606 94 HG3 ARG 12 HG3 ARG 12 13.690 0.642 1.367 95 HD2 ARG 12 HD2 ARG 12 13.982 -0.066 4.316 96 HD3 ARG 12 HD3 ARG 12 13.344 -1.169 3.080 97 HE ARG 12 HE ARG 12 15.837 -0.276 2.114 98 HH11 ARG 12 HH11 ARG 12 14.741 -2.219 4.823 99 HH12 ARG 12 HH12 ARG 12 16.236 -3.111 4.899 100 HH21 ARG 12 HH21 ARG 12 17.718 -1.439 2.279 101 HH22 ARG 12 HH22 ARG 12 17.876 -2.671 3.497 102 H GLU 13 H GLU 13 12.625 2.417 -0.055 103 HA GLU 13 HA GLU 13 14.628 2.114 -2.025 104 HB2 GLU 13 HB2 GLU 13 12.408 1.121 -2.130 105 HB3 GLU 13 HB3 GLU 13 11.669 2.720 -2.143 106 HG2 GLU 13 HG2 GLU 13 12.598 3.159 -4.391 107 HG3 GLU 13 HG3 GLU 13 13.311 1.539 -4.394 108 H VAL 14 H VAL 14 12.382 4.941 -1.590 109 HA VAL 14 HA VAL 14 13.736 6.389 -3.724 110 HB VAL 14 HB VAL 14 11.599 7.334 -1.802 111 HG11 VAL 14 HG11 VAL 14 11.136 9.074 -3.495 112 HG12 VAL 14 HG12 VAL 14 12.820 9.227 -2.960 113 HG13 VAL 14 HG13 VAL 14 12.457 8.458 -4.510 114 HG21 VAL 14 HG21 VAL 14 11.354 6.356 -4.693 115 HG22 VAL 14 HG22 VAL 14 10.901 5.398 -3.286 116 HG23 VAL 14 HG23 VAL 14 10.031 6.892 -3.615 117 H ASP 15 H ASP 15 13.944 6.502 -0.130 118 HA ASP 15 HA ASP 15 15.703 8.767 0.004 119 HB2 ASP 15 HB2 ASP 15 14.643 7.779 1.972 120 HB3 ASP 15 HB3 ASP 15 15.497 6.258 1.707 121 H GLU 16 H GLU 16 16.439 5.250 -0.432 122 HA GLU 16 HA GLU 16 19.266 5.544 -0.710 123 HB2 GLU 16 HB2 GLU 16 18.197 3.397 -0.261 124 HB3 GLU 16 HB3 GLU 16 17.343 3.455 -1.813 125 HG2 GLU 16 HG2 GLU 16 19.456 3.312 -3.039 126 HG3 GLU 16 HG3 GLU 16 20.373 3.406 -1.530 127 H ALA 17 H ALA 17 16.651 5.587 -3.223 128 HA ALA 17 HA ALA 17 18.432 5.878 -5.411 129 HB1 ALA 17 HB1 ALA 17 15.558 6.855 -5.110 130 HB2 ALA 17 HB2 ALA 17 16.434 6.644 -6.642 131 HB3 ALA 17 HB3 ALA 17 16.064 5.234 -5.628 132 H ILE 18 H ILE 18 16.833 8.432 -3.389 133 HA ILE 18 HA ILE 18 17.981 10.659 -4.786 134 HB ILE 18 HB ILE 18 16.904 10.268 -1.963 135 HG12 ILE 18 HG12 ILE 18 15.969 11.924 -4.353 136 HG13 ILE 18 HG13 ILE 18 15.365 10.324 -3.935 137 HG21 ILE 18 HG21 ILE 18 17.992 12.893 -3.083 138 HG22 ILE 18 HG22 ILE 18 17.068 12.719 -1.577 139 HG23 ILE 18 HG23 ILE 18 18.652 11.994 -1.701 140 HD11 ILE 18 HD11 ILE 18 14.964 12.859 -2.310 141 HD12 ILE 18 HD12 ILE 18 13.755 11.945 -3.214 142 HD13 ILE 18 HD13 ILE 18 14.498 11.223 -1.773 143 H ASP 19 H ASP 19 19.237 8.852 -1.879 144 HA ASP 19 HA ASP 19 21.641 10.362 -1.664 145 HB2 ASP 19 HB2 ASP 19 20.764 8.852 0.068 146 HB3 ASP 19 HB3 ASP 19 21.091 7.456 -0.967 147 H ASN 20 H ASN 20 20.950 7.443 -3.672 148 HA ASN 20 HA ASN 20 23.587 7.108 -4.677 149 HB2 ASN 20 HB2 ASN 20 21.713 5.455 -4.848 150 HB3 ASN 20 HB3 ASN 20 20.909 6.501 -6.017 151 HD21 ASN 20 HD22 ASN 20 20.998 4.562 -7.430 152 HD22 ASN 20 HD21 ASN 20 22.486 4.256 -8.299 153 H ILE 21 H ILE 21 20.856 9.104 -6.004 154 HA ILE 21 HA ILE 21 22.412 10.142 -8.213 155 HB ILE 21 HB ILE 21 19.774 10.822 -6.921 156 HG12 ILE 21 HG12 ILE 21 19.063 10.841 -9.335 157 HG13 ILE 21 HG13 ILE 21 20.716 10.451 -9.806 158 HG21 ILE 21 HG21 ILE 21 20.560 13.077 -7.029 159 HG22 ILE 21 HG22 ILE 21 21.321 12.826 -8.615 160 HG23 ILE 21 HG23 ILE 21 19.559 12.845 -8.453 161 HD11 ILE 21 HD11 ILE 21 20.490 8.271 -8.570 162 HD12 ILE 21 HD12 ILE 21 18.836 8.754 -8.095 163 HD13 ILE 21 HD13 ILE 21 19.233 8.475 -9.803 164 H LEU 22 H LEU 22 21.772 11.407 -4.941 165 HA LEU 22 HA LEU 22 23.069 13.874 -5.152 166 HB2 LEU 22 HB2 LEU 22 21.555 12.995 -3.343 167 HB3 LEU 22 HB3 LEU 22 22.848 11.933 -2.810 168 HG LEU 22 HG LEU 22 24.215 14.038 -2.347 169 HD11 LEU 22 HD11 LEU 22 22.886 15.659 -3.662 170 HD12 LEU 22 HD12 LEU 22 21.442 15.293 -2.696 171 HD13 LEU 22 HD13 LEU 22 22.849 16.079 -1.948 172 HD21 LEU 22 HD21 LEU 22 23.145 12.708 -0.575 173 HD22 LEU 22 HD22 LEU 22 23.074 14.435 -0.201 174 HD23 LEU 22 HD23 LEU 22 21.629 13.596 -0.811 175 H ARG 23 H ARG 23 24.496 10.725 -4.111 176 HA ARG 23 HA ARG 23 27.192 11.860 -3.980 177 HB2 ARG 23 HB2 ARG 23 26.163 9.023 -3.689 178 HB3 ARG 23 HB3 ARG 23 27.834 9.509 -3.418 179 HG2 ARG 23 HG2 ARG 23 25.443 10.590 -1.835 180 HG3 ARG 23 HG3 ARG 23 26.472 9.258 -1.348 181 HD2 ARG 23 HD2 ARG 23 27.287 11.061 -0.132 182 HD3 ARG 23 HD3 ARG 23 28.455 10.831 -1.422 183 HE ARG 23 HE ARG 23 26.289 12.940 -1.455 184 HH11 ARG 23 HH11 ARG 23 29.710 12.231 -1.788 185 HH12 ARG 23 HH12 ARG 23 30.060 13.830 -2.414 186 HH21 ARG 23 HH21 ARG 23 26.876 15.044 -2.173 187 HH22 ARG 23 HH22 ARG 23 28.574 15.364 -2.383 188 H TYR 24 H TYR 24 25.500 9.927 -6.482 189 HA TYR 24 HA TYR 24 27.793 9.579 -8.182 190 HB2 TYR 24 HB2 TYR 24 25.694 8.404 -8.536 191 HB3 TYR 24 HB3 TYR 24 24.827 9.921 -8.773 192 HD1 TYR 24 HD2 TYR 24 27.551 7.790 -10.235 193 HD2 TYR 24 HD1 TYR 24 24.597 10.861 -10.932 194 HE1 TYR 24 HE2 TYR 24 27.987 7.655 -12.684 195 HE2 TYR 24 HE1 TYR 24 25.020 10.704 -13.380 196 HH TYR 24 HH TYR 24 26.227 9.683 -15.061 197 H THR 25 H THR 25 25.472 12.274 -7.842 198 HA THR 25 HA THR 25 26.791 13.952 -9.840 199 HB THR 25 HB THR 25 24.645 14.706 -7.829 200 HG1 THR 25 HG1 THR 25 23.801 13.063 -8.930 201 HG21 THR 25 HG21 THR 25 23.893 16.213 -9.662 202 HG22 THR 25 HG22 THR 25 25.473 16.676 -9.015 203 HG23 THR 25 HG23 THR 25 25.362 15.819 -10.574 204 H ASN 26 H ASN 26 27.463 13.240 -6.583 205 HA ASN 26 HA ASN 26 28.480 14.193 -4.871 206 HB2 ASN 26 HB2 ASN 26 30.357 13.878 -6.526 207 HB3 ASN 26 HB3 ASN 26 30.247 15.601 -6.893 208 HD21 ASN 26 HD22 ASN 26 32.575 15.546 -6.122 209 HD22 ASN 26 HD21 ASN 26 32.847 15.655 -4.391 210 H SER 27 H SER 27 26.127 15.413 -5.340 211 HA SER 27 HA SER 27 26.532 18.353 -4.983 212 HB2 SER 27 HB2 SER 27 24.091 18.443 -5.569 213 HB3 SER 27 HB3 SER 27 25.154 17.830 -6.851 214 HG SER 27 HG SER 27 23.204 16.541 -6.486 215 H THR 28 H THR 28 24.771 19.392 -3.620 216 HA THR 28 HA THR 28 24.209 17.805 -1.139 217 HB THR 28 HB THR 28 25.659 19.656 -0.645 218 HG1 THR 28 HG1 THR 28 24.391 20.400 1.047 219 HG21 THR 28 HG21 THR 28 24.909 21.979 -0.728 220 HG22 THR 28 HG22 THR 28 24.958 21.314 -2.368 221 HG23 THR 28 HG23 THR 28 23.399 21.505 -1.526 222 H GLU 29 H GLU 29 22.090 18.250 -0.068 223 HA GLU 29 HA GLU 29 20.121 17.565 -2.045 224 HB2 GLU 29 HB2 GLU 29 19.856 18.172 0.922 225 HB3 GLU 29 HB3 GLU 29 18.571 17.487 -0.090 226 HG2 GLU 29 HG2 GLU 29 19.984 15.551 -0.635 227 HG3 GLU 29 HG3 GLU 29 21.310 16.210 0.329 228 H GLN 30 H GLN 30 20.692 20.654 -0.356 229 HA GLN 30 HA GLN 30 18.267 21.923 -1.335 230 HB2 GLN 30 HB2 GLN 30 20.906 23.124 -0.390 231 HB3 GLN 30 HB3 GLN 30 19.411 24.023 -0.683 232 HG2 GLN 30 HG2 GLN 30 18.251 22.685 1.060 233 HG3 GLN 30 HG3 GLN 30 19.732 21.774 1.359 234 HE21 GLN 30 HE22 GLN 30 18.079 24.850 1.981 235 HE22 GLN 30 HE21 GLN 30 19.311 25.434 3.091 236 H GLN 31 H GLN 31 21.637 21.837 -2.532 237 HA GLN 31 HA GLN 31 21.295 23.344 -4.922 238 HB2 GLN 31 HB2 GLN 31 23.451 22.688 -3.887 239 HB3 GLN 31 HB3 GLN 31 23.104 20.998 -4.247 240 HG2 GLN 31 HG2 GLN 31 23.096 21.661 -6.725 241 HG3 GLN 31 HG3 GLN 31 23.740 23.220 -6.197 242 HE21 GLN 31 HE22 GLN 31 25.676 22.570 -7.586 243 HE22 GLN 31 HE21 GLN 31 26.836 21.464 -6.870 244 H PHE 32 H PHE 32 20.815 19.806 -4.293 245 HA PHE 32 HA PHE 32 20.089 19.164 -6.982 246 HB2 PHE 32 HB2 PHE 32 20.861 17.535 -5.330 247 HB3 PHE 32 HB3 PHE 32 19.435 17.822 -4.345 248 HD1 PHE 32 HD2 PHE 32 19.073 17.498 -8.057 249 HD2 PHE 32 HD1 PHE 32 19.005 15.433 -4.265 250 HE1 PHE 32 HE2 PHE 32 17.870 15.614 -9.101 251 HE2 PHE 32 HE1 PHE 32 17.789 13.546 -5.335 252 HZ PHE 32 HZ PHE 32 17.194 13.652 -7.739 253 H LEU 33 H LEU 33 17.995 20.132 -4.166 254 HA LEU 33 HA LEU 33 15.542 19.978 -5.607 255 HB2 LEU 33 HB2 LEU 33 15.748 20.130 -3.172 256 HB3 LEU 33 HB3 LEU 33 16.368 21.763 -3.282 257 HG LEU 33 HG LEU 33 14.020 21.553 -2.508 258 HD11 LEU 33 HD11 LEU 33 13.132 23.434 -3.613 259 HD12 LEU 33 HD12 LEU 33 14.887 23.662 -3.576 260 HD13 LEU 33 HD13 LEU 33 14.073 23.159 -5.076 261 HD21 LEU 33 HD21 LEU 33 13.268 19.716 -3.974 262 HD22 LEU 33 HD22 LEU 33 12.206 21.126 -4.059 263 HD23 LEU 33 HD23 LEU 33 13.343 20.802 -5.380 264 H GLU 34 H GLU 34 17.793 22.750 -5.269 265 HA GLU 34 HA GLU 34 16.297 24.526 -6.959 266 HB2 GLU 34 HB2 GLU 34 19.247 24.404 -6.228 267 HB3 GLU 34 HB3 GLU 34 18.545 25.686 -7.219 268 HG2 GLU 34 HG2 GLU 34 16.953 26.248 -5.401 269 HG3 GLU 34 HG3 GLU 34 17.688 25.029 -4.371 270 H ALA 35 H ALA 35 18.818 22.134 -7.803 271 HA ALA 35 HA ALA 35 18.931 22.755 -10.588 272 HB1 ALA 35 HB1 ALA 35 20.580 21.390 -9.314 273 HB2 ALA 35 HB2 ALA 35 19.390 20.085 -9.178 274 HB3 ALA 35 HB3 ALA 35 19.996 20.564 -10.774 275 H MET 36 H MET 36 16.857 20.435 -8.784 276 HA MET 36 HA MET 36 15.419 19.456 -11.082 277 HB2 MET 36 HB2 MET 36 14.803 19.601 -8.101 278 HB3 MET 36 HB3 MET 36 13.710 18.843 -9.263 279 HG2 MET 36 HG2 MET 36 16.639 18.046 -9.085 280 HG3 MET 36 HG3 MET 36 15.430 17.345 -8.023 281 HE1 MET 36 HE1 MET 36 13.278 15.077 -10.129 282 HE2 MET 36 HE2 MET 36 13.851 15.562 -8.515 283 HE3 MET 36 HE3 MET 36 12.891 16.685 -9.505 284 H GLU 37 H GLU 37 14.666 22.183 -8.805 285 HA GLU 37 HA GLU 37 12.266 22.984 -10.112 286 HB2 GLU 37 HB2 GLU 37 13.105 23.706 -7.852 287 HB3 GLU 37 HB3 GLU 37 14.320 24.699 -8.662 288 HG2 GLU 37 HG2 GLU 37 12.524 26.126 -7.995 289 HG3 GLU 37 HG3 GLU 37 12.477 26.010 -9.743 290 H SER 38 H SER 38 15.672 23.974 -10.748 291 HA SER 38 HA SER 38 15.095 25.834 -12.834 292 HB2 SER 38 HB2 SER 38 17.203 25.677 -11.527 293 HB3 SER 38 HB3 SER 38 17.599 24.164 -12.373 294 HG SER 38 HG SER 38 18.572 26.087 -13.309 295 H THR 39 H THR 39 15.499 22.292 -12.937 296 HA THR 39 HA THR 39 15.474 22.317 -15.919 297 HB THR 39 HB THR 39 16.220 19.978 -15.768 298 HG1 THR 39 HG1 THR 39 16.601 20.484 -13.018 299 HG21 THR 39 HG21 THR 39 18.488 20.420 -14.974 300 HG22 THR 39 HG22 THR 39 17.892 21.792 -15.924 301 HG23 THR 39 HG23 THR 39 17.952 21.901 -14.152 302 H GLY 40 H GLY 40 13.068 22.296 -13.731 303 HA2 GLY 40 HA2 GLY 40 10.820 21.912 -14.118 304 HA3 GLY 40 HA3 GLY 40 11.205 21.141 -15.658 305 H GLY 41 H GLY 41 12.805 19.939 -12.815 306 HA2 GLY 41 HA2 GLY 41 12.342 18.214 -11.336 307 HA3 GLY 41 HA3 GLY 41 10.774 17.949 -12.108 308 H ARG 42 H ARG 42 13.137 17.866 -14.542 309 HA ARG 42 HA ARG 42 13.022 14.920 -14.723 310 HB2 ARG 42 HB2 ARG 42 14.142 17.175 -16.429 311 HB3 ARG 42 HB3 ARG 42 14.603 15.511 -16.762 312 HG2 ARG 42 HG2 ARG 42 11.677 16.333 -16.605 313 HG3 ARG 42 HG3 ARG 42 12.628 16.477 -18.091 314 HD2 ARG 42 HD2 ARG 42 13.172 14.041 -17.997 315 HD3 ARG 42 HD3 ARG 42 12.207 13.889 -16.533 316 HE ARG 42 HE ARG 42 10.233 14.042 -17.720 317 HH11 ARG 42 HH12 ARG 42 12.817 14.709 -20.014 318 HH12 ARG 42 HH11 ARG 42 11.750 14.550 -21.378 319 HH21 ARG 42 HH21 ARG 42 8.947 13.872 -19.508 320 HH22 ARG 42 HH22 ARG 42 9.617 14.092 -21.094 321 H VAL 43 H VAL 43 14.221 13.814 -13.312 322 HA VAL 43 HA VAL 43 16.544 14.708 -11.982 323 HB VAL 43 HB VAL 43 15.695 11.859 -12.629 324 HG11 VAL 43 HG11 VAL 43 17.026 11.226 -10.619 325 HG12 VAL 43 HG12 VAL 43 18.063 11.823 -11.912 326 HG13 VAL 43 HG13 VAL 43 17.676 12.878 -10.530 327 HG21 VAL 43 HG21 VAL 43 14.726 11.869 -10.401 328 HG22 VAL 43 HG22 VAL 43 15.316 13.520 -10.097 329 HG23 VAL 43 HG23 VAL 43 14.050 13.226 -11.309 330 H ARG 44 H ARG 44 16.402 12.831 -15.063 331 HA ARG 44 HA ARG 44 19.210 12.533 -15.353 332 HB2 ARG 44 HB2 ARG 44 18.782 11.965 -17.630 333 HB3 ARG 44 HB3 ARG 44 17.568 11.238 -16.593 334 HG2 ARG 44 HG2 ARG 44 15.944 13.079 -17.282 335 HG3 ARG 44 HG3 ARG 44 17.179 13.673 -18.406 336 HD2 ARG 44 HD2 ARG 44 15.991 10.869 -18.441 337 HD3 ARG 44 HD3 ARG 44 15.451 12.208 -19.467 338 HE ARG 44 HE ARG 44 18.181 12.058 -19.965 339 HH11 ARG 44 HH21 ARG 44 15.513 9.816 -20.369 340 HH12 ARG 44 HH22 ARG 44 16.308 8.968 -21.661 341 HH21 ARG 44 HH12 ARG 44 19.139 10.923 -21.612 342 HH22 ARG 44 HH11 ARG 44 18.302 9.592 -22.355 343 H ILE 45 H ILE 45 17.171 15.299 -16.278 344 HA ILE 45 HA ILE 45 19.353 16.673 -17.674 345 HB ILE 45 HB ILE 45 16.684 17.786 -16.750 346 HG12 ILE 45 HG12 ILE 45 17.522 16.599 -19.442 347 HG13 ILE 45 HG13 ILE 45 16.372 15.892 -18.319 348 HG21 ILE 45 HG21 ILE 45 17.131 19.589 -18.368 349 HG22 ILE 45 HG22 ILE 45 18.474 19.509 -17.243 350 HG23 ILE 45 HG23 ILE 45 18.652 18.806 -18.856 351 HD11 ILE 45 HD11 ILE 45 15.104 16.877 -20.059 352 HD12 ILE 45 HD12 ILE 45 14.887 17.910 -18.630 353 HD13 ILE 45 HD13 ILE 45 15.971 18.417 -19.945 354 H ALA 46 H ALA 46 17.910 16.766 -14.395 355 HA ALA 46 HA ALA 46 19.403 18.993 -13.425 356 HB1 ALA 46 HB1 ALA 46 17.411 18.022 -12.305 357 HB2 ALA 46 HB2 ALA 46 18.342 16.573 -11.899 358 HB3 ALA 46 HB3 ALA 46 18.800 18.144 -11.206 359 H ILE 47 H ILE 47 20.154 15.453 -13.160 360 HA ILE 47 HA ILE 47 22.730 15.969 -11.977 361 HB ILE 47 HB ILE 47 23.224 13.653 -12.213 362 HG12 ILE 47 HG12 ILE 47 20.832 13.452 -14.056 363 HG13 ILE 47 HG13 ILE 47 22.520 13.172 -14.471 364 HG21 ILE 47 HG21 ILE 47 21.615 14.467 -10.467 365 HG22 ILE 47 HG22 ILE 47 20.275 13.902 -11.491 366 HG23 ILE 47 HG23 ILE 47 21.469 12.752 -10.866 367 HD11 ILE 47 HD11 ILE 47 20.775 11.438 -12.688 368 HD12 ILE 47 HD12 ILE 47 21.458 11.042 -14.272 369 HD13 ILE 47 HD13 ILE 47 22.535 11.222 -12.873 370 H ALA 48 H ALA 48 21.740 15.513 -15.439 371 HA ALA 48 HA ALA 48 24.334 15.584 -16.538 372 HB1 ALA 48 HB1 ALA 48 22.344 15.000 -17.808 373 HB2 ALA 48 HB2 ALA 48 21.656 16.619 -17.570 374 HB3 ALA 48 HB3 ALA 48 23.115 16.405 -18.570 375 H LYS 49 H LYS 49 22.138 18.390 -15.848 376 HA LYS 49 HA LYS 49 24.031 20.380 -16.742 377 HB2 LYS 49 HB2 LYS 49 21.582 20.498 -14.931 378 HB3 LYS 49 HB3 LYS 49 22.468 21.932 -15.418 379 HG2 LYS 49 HG2 LYS 49 21.181 19.987 -17.388 380 HG3 LYS 49 HG3 LYS 49 20.392 21.428 -16.767 381 HD2 LYS 49 HD2 LYS 49 22.945 21.392 -18.444 382 HD3 LYS 49 HD3 LYS 49 21.312 21.710 -19.033 383 HE2 LYS 49 HE2 LYS 49 21.167 23.670 -17.446 384 HE3 LYS 49 HE3 LYS 49 22.869 23.409 -17.031 385 HZ1 LYS 49 HZ1 LYS 49 23.424 23.787 -19.397 386 HZ2 LYS 49 HZ2 LYS 49 21.850 24.030 -19.767 387 HZ3 LYS 49 HZ3 LYS 49 22.627 25.081 -18.791 388 H LEU 50 H LEU 50 23.565 18.850 -13.557 389 HA LEU 50 HA LEU 50 25.543 20.592 -12.272 390 HB2 LEU 50 HB2 LEU 50 24.005 18.113 -11.545 391 HB3 LEU 50 HB3 LEU 50 25.462 18.486 -10.642 392 HG LEU 50 HG LEU 50 24.646 20.514 -9.796 393 HD11 LEU 50 HD11 LEU 50 23.564 21.509 -11.784 394 HD12 LEU 50 HD12 LEU 50 22.226 20.351 -11.625 395 HD13 LEU 50 HD13 LEU 50 22.535 21.581 -10.370 396 HD21 LEU 50 HD21 LEU 50 23.702 18.515 -8.729 397 HD22 LEU 50 HD22 LEU 50 22.528 19.841 -8.683 398 HD23 LEU 50 HD23 LEU 50 22.338 18.520 -9.867 399 H LEU 51 H LEU 51 25.789 17.383 -13.880 400 HA LEU 51 HA LEU 51 28.590 17.112 -13.172 401 HB2 LEU 51 HB2 LEU 51 26.761 15.659 -15.108 402 HB3 LEU 51 HB3 LEU 51 28.459 15.240 -14.920 403 HG LEU 51 HG LEU 51 26.509 15.228 -12.574 404 HD11 LEU 51 HD11 LEU 51 25.818 13.589 -14.279 405 HD12 LEU 51 HD12 LEU 51 27.460 12.909 -14.294 406 HD13 LEU 51 HD13 LEU 51 26.461 12.800 -12.826 407 HD21 LEU 51 HD21 LEU 51 29.317 14.104 -12.952 408 HD22 LEU 51 HD22 LEU 51 28.820 15.394 -11.832 409 HD23 LEU 51 HD23 LEU 51 28.261 13.737 -11.579 410 H SER 52 H SER 52 26.986 18.424 -16.120 411 HA SER 52 HA SER 52 29.295 18.406 -17.750 412 HB2 SER 52 HB2 SER 52 28.113 19.994 -19.159 413 HB3 SER 52 HB3 SER 52 27.008 18.739 -18.578 414 HG SER 52 HG SER 52 26.162 20.917 -18.418 415 H LYS 53 H LYS 53 28.409 20.715 -15.260 416 HA LYS 53 HA LYS 53 30.668 22.543 -15.876 417 HB2 LYS 53 HB2 LYS 53 28.594 22.578 -13.648 418 HB3 LYS 53 HB3 LYS 53 29.759 23.852 -13.974 419 HG2 LYS 53 HG2 LYS 53 27.503 22.992 -15.836 420 HG3 LYS 53 HG3 LYS 53 27.548 24.434 -14.819 421 HD2 LYS 53 HD2 LYS 53 29.561 25.238 -16.098 422 HD3 LYS 53 HD3 LYS 53 29.381 23.844 -17.188 423 HE2 LYS 53 HE2 LYS 53 27.090 24.577 -17.773 424 HE3 LYS 53 HE3 LYS 53 27.249 25.964 -16.685 425 HZ1 LYS 53 HZ1 LYS 53 27.734 26.588 -18.992 426 HZ2 LYS 53 HZ2 LYS 53 29.080 26.775 -18.095 427 HZ3 LYS 53 HZ3 LYS 53 28.938 25.492 -19.103 428 H GLN 54 H GLN 54 30.475 19.646 -14.276 429 HA GLN 54 HA GLN 54 32.571 20.371 -12.270 430 HB2 GLN 54 HB2 GLN 54 30.244 19.872 -11.465 431 HB3 GLN 54 HB3 GLN 54 30.420 18.232 -12.099 432 HG2 GLN 54 HG2 GLN 54 32.318 17.860 -10.504 433 HG3 GLN 54 HG3 GLN 54 32.116 19.513 -9.903 434 HE21 GLN 54 HE22 GLN 54 30.568 16.279 -10.098 435 HE22 GLN 54 HE21 GLN 54 29.330 16.639 -8.893 436 H THR 55 H THR 55 31.743 18.033 -14.744 437 HA THR 55 HA THR 55 33.629 16.015 -14.400 438 HB THR 55 HB THR 55 31.850 16.052 -16.064 439 HG1 THR 55 HG1 THR 55 33.027 15.142 -17.756 440 HG21 THR 55 HG21 THR 55 31.936 17.327 -18.108 441 HG22 THR 55 HG22 THR 55 32.119 18.476 -16.773 442 HG23 THR 55 HG23 THR 55 33.535 17.992 -17.711 443 H SER 56 H SER 56 34.268 19.314 -15.515 444 HA SER 56 HA SER 56 37.003 18.869 -16.405 445 HB2 SER 56 HB2 SER 56 36.989 21.349 -16.540 446 HB3 SER 56 HB3 SER 56 35.568 20.634 -17.321 447 HG SER 56 HG SER 56 34.972 22.382 -15.941 448 H GLY 57 H GLY 57 35.709 18.922 -13.290 449 HA2 GLY 57 HA2 GLY 57 36.807 19.009 -11.216 450 HA3 GLY 57 HA3 GLY 57 38.207 19.793 -11.957 451 H GLY 58 H GLY 58 35.736 21.526 -13.246 452 HA2 GLY 58 HA2 GLY 58 34.604 23.479 -12.784 453 HA3 GLY 58 HA3 GLY 58 34.654 23.055 -11.077 454 H SER 59 H SER 59 34.882 25.319 -10.693 455 HA SER 59 HA SER 59 37.693 26.203 -10.549 456 HB2 SER 59 HB2 SER 59 37.198 28.439 -11.401 457 HB3 SER 59 HB3 SER 59 36.915 27.205 -12.639 458 HG SER 59 HG SER 59 35.205 28.751 -12.556 459 H GLY 60 H GLY 60 38.016 28.008 -9.055 460 HA2 GLY 60 HA2 GLY 60 37.696 29.118 -7.045 461 HA3 GLY 60 HA3 GLY 60 35.962 28.842 -7.193 462 H GLY 61 H GLY 61 36.033 28.516 -4.872 463 HA2 GLY 61 HA2 GLY 61 37.450 26.346 -3.602 464 HA3 GLY 61 HA3 GLY 61 36.126 27.280 -2.915 465 H SER 62 H SER 62 36.562 24.476 -2.583 466 HA SER 62 HA SER 62 34.720 22.972 -4.268 467 HB2 SER 62 HB2 SER 62 35.343 21.096 -2.787 468 HB3 SER 62 HB3 SER 62 36.748 21.947 -3.458 469 HG SER 62 HG SER 62 36.975 21.539 -1.191 470 H LYS 63 H LYS 63 34.234 24.870 -1.457 471 HA LYS 63 HA LYS 63 32.154 23.407 -0.149 472 HB2 LYS 63 HB2 LYS 63 33.480 25.180 0.884 473 HB3 LYS 63 HB3 LYS 63 32.778 26.397 -0.172 474 HG2 LYS 63 HG2 LYS 63 30.908 24.737 1.531 475 HG3 LYS 63 HG3 LYS 63 31.944 25.916 2.332 476 HD2 LYS 63 HD2 LYS 63 31.047 27.746 0.952 477 HD3 LYS 63 HD3 LYS 63 30.056 26.609 0.044 478 HE2 LYS 63 HE2 LYS 63 28.617 27.664 1.610 479 HE3 LYS 63 HE3 LYS 63 28.841 25.999 2.151 480 HZ1 LYS 63 HZ1 LYS 63 30.436 26.824 3.819 481 HZ2 LYS 63 HZ2 LYS 63 30.285 28.364 3.273 482 HZ3 LYS 63 HZ3 LYS 63 29.023 27.619 3.983 483 H LEU 64 H LEU 64 30.015 23.251 -0.436 484 HA LEU 64 HA LEU 64 28.841 24.314 -2.948 485 HB2 LEU 64 HB2 LEU 64 27.849 22.181 -1.019 486 HB3 LEU 64 HB3 LEU 64 27.081 22.622 -2.540 487 HG LEU 64 HG LEU 64 29.855 21.372 -2.274 488 HD11 LEU 64 HD11 LEU 64 27.220 20.205 -3.243 489 HD12 LEU 64 HD12 LEU 64 28.792 19.381 -3.223 490 HD13 LEU 64 HD13 LEU 64 28.023 19.832 -1.696 491 HD21 LEU 64 HD21 LEU 64 29.665 21.048 -4.736 492 HD22 LEU 64 HD22 LEU 64 28.181 22.023 -4.741 493 HD23 LEU 64 HD23 LEU 64 29.744 22.755 -4.299 494 H GLY 65 H GLY 65 26.868 25.396 -3.069 495 HA2 GLY 65 HA2 GLY 65 26.283 27.272 -0.957 496 HA3 GLY 65 HA3 GLY 65 25.374 27.053 -2.451 497 H GLY 66 H GLY 66 24.715 27.302 0.575 498 HA2 GLY 66 HA2 GLY 66 22.225 26.136 0.705 499 HA3 GLY 66 HA3 GLY 66 23.299 24.852 1.269 500 H SER 67 H SER 67 21.705 25.301 3.069 501 HA SER 67 HA SER 67 22.999 26.972 5.175 502 HB2 SER 67 HB2 SER 67 20.769 27.621 6.000 503 HB3 SER 67 HB3 SER 67 21.091 28.235 4.373 504 HG SER 67 HG SER 67 18.968 27.280 4.650 505 H GLY 68 H GLY 68 21.848 23.869 4.296 506 HA2 GLY 68 HA2 GLY 68 22.244 21.917 5.518 507 HA3 GLY 68 HA3 GLY 68 22.503 22.851 6.980 508 H GLY 69 H GLY 69 21.000 22.524 8.499 509 HA2 GLY 69 HA2 GLY 69 18.944 22.212 9.534 510 HA3 GLY 69 HA3 GLY 69 18.124 22.273 7.978 511 H SER 70 H SER 70 17.223 20.500 9.773 512 HA SER 70 HA SER 70 18.570 17.929 9.680 513 HB2 SER 70 HB2 SER 70 16.753 17.207 11.147 514 HB3 SER 70 HB3 SER 70 17.440 18.752 11.678 515 HG SER 70 HG SER 70 15.155 18.854 11.696 516 H ARG 71 H ARG 71 15.918 19.335 7.871 517 HA ARG 71 HA ARG 71 14.638 18.616 6.103 518 HB2 ARG 71 HB2 ARG 71 17.156 16.994 5.660 519 HB3 ARG 71 HB3 ARG 71 15.892 17.142 4.456 520 HG2 ARG 71 HG2 ARG 71 16.252 19.398 4.053 521 HG3 ARG 71 HG3 ARG 71 17.023 19.694 5.610 522 HD2 ARG 71 HD2 ARG 71 18.275 18.008 3.414 523 HD3 ARG 71 HD3 ARG 71 18.592 19.730 3.652 524 HE ARG 71 HE ARG 71 19.449 19.251 5.901 525 HH11 ARG 71 HH11 ARG 71 19.405 16.404 3.791 526 HH12 ARG 71 HH12 ARG 71 20.526 15.568 4.835 527 HH21 ARG 71 HH21 ARG 71 20.703 18.108 7.165 528 HH22 ARG 71 HH22 ARG 71 21.293 16.527 6.699 529 H LYS 72 H LYS 72 13.924 17.386 8.493 530 HA LYS 72 HA LYS 72 13.118 14.597 7.809 531 HB2 LYS 72 HB2 LYS 72 12.725 16.155 10.394 532 HB3 LYS 72 HB3 LYS 72 12.446 14.433 10.160 533 HG2 LYS 72 HG2 LYS 72 15.129 15.848 10.094 534 HG3 LYS 72 HG3 LYS 72 14.507 14.800 11.359 535 HD2 LYS 72 HD2 LYS 72 14.497 12.879 9.766 536 HD3 LYS 72 HD3 LYS 72 15.206 13.931 8.517 537 HE2 LYS 72 HE2 LYS 72 17.160 14.369 9.970 538 HE3 LYS 72 HE3 LYS 72 16.456 13.370 11.244 539 HZ1 LYS 72 HZ1 LYS 72 17.268 12.367 8.556 540 HZ2 LYS 72 HZ2 LYS 72 18.086 12.117 9.943 541 HZ3 LYS 72 HZ3 LYS 72 16.615 11.444 9.741 542 H ASP 73 H ASP 73 11.775 17.457 7.063 543 HA ASP 73 HA ASP 73 9.113 17.191 8.083 544 HB2 ASP 73 HB2 ASP 73 10.256 19.077 6.004 545 HB3 ASP 73 HB3 ASP 73 8.689 19.248 6.799 546 H LEU 74 H LEU 74 9.613 14.837 6.638 547 HA LEU 74 HA LEU 74 8.341 14.840 4.033 548 HB2 LEU 74 HB2 LEU 74 8.995 12.620 6.018 549 HB3 LEU 74 HB3 LEU 74 8.214 12.329 4.481 550 HG LEU 74 HG LEU 74 10.498 11.744 4.293 551 HD11 LEU 74 HD11 LEU 74 9.414 12.814 2.317 552 HD12 LEU 74 HD12 LEU 74 10.150 14.365 2.793 553 HD13 LEU 74 HD13 LEU 74 11.181 12.989 2.347 554 HD21 LEU 74 HD21 LEU 74 12.380 13.227 4.543 555 HD22 LEU 74 HD22 LEU 74 11.333 14.599 4.938 556 HD23 LEU 74 HD23 LEU 74 11.460 13.214 6.055 557 H SER 75 H SER 75 6.270 14.279 3.436 558 HA SER 75 HA SER 75 4.179 14.735 5.464 559 HB2 SER 75 HB2 SER 75 4.000 15.943 3.389 560 HB3 SER 75 HB3 SER 75 4.041 14.437 2.449 561 HG SER 75 HG SER 75 1.886 15.436 2.997 562 H VAL 76 H VAL 76 2.550 13.358 6.021 563 HA VAL 76 HA VAL 76 2.869 10.507 5.915 564 HB VAL 76 HB VAL 76 1.637 11.824 7.642 565 HG11 VAL 76 HG11 VAL 76 -0.661 11.903 5.639 566 HG12 VAL 76 HG12 VAL 76 -0.687 12.445 7.326 567 HG13 VAL 76 HG13 VAL 76 0.303 13.310 6.142 568 HG21 VAL 76 HG21 VAL 76 1.395 9.368 7.467 569 HG22 VAL 76 HG22 VAL 76 -0.046 10.171 8.116 570 HG23 VAL 76 HG23 VAL 76 -0.039 9.595 6.440 571 H LYS 77 H LYS 77 1.537 12.745 3.601 572 HA LYS 77 HA LYS 77 -0.019 10.765 2.090 573 HB2 LYS 77 HB2 LYS 77 0.909 13.565 1.328 574 HB3 LYS 77 HB3 LYS 77 -0.288 12.606 0.468 575 HG2 LYS 77 HG2 LYS 77 -0.597 13.703 3.297 576 HG3 LYS 77 HG3 LYS 77 -1.334 14.338 1.825 577 HD2 LYS 77 HD2 LYS 77 -2.562 12.174 1.527 578 HD3 LYS 77 HD3 LYS 77 -1.895 11.615 3.078 579 HE2 LYS 77 HE2 LYS 77 -2.943 13.541 4.234 580 HE3 LYS 77 HE3 LYS 77 -3.586 14.129 2.697 581 HZ1 LYS 77 HZ1 LYS 77 -4.317 11.528 3.957 582 HZ2 LYS 77 HZ2 LYS 77 -5.258 12.858 3.924 583 HZ3 LYS 77 HZ3 LYS 77 -4.910 12.078 2.535 584 H GLY 78 H GLY 78 3.322 11.171 2.348 585 HA2 GLY 78 HA2 GLY 78 4.206 10.811 -0.352 586 HA3 GLY 78 HA3 GLY 78 5.102 10.374 1.104 587 H MET 79 H MET 79 4.150 9.077 -1.674 588 HA MET 79 HA MET 79 3.902 6.310 -0.691 589 HB2 MET 79 HB2 MET 79 1.783 5.898 -1.828 590 HB3 MET 79 HB3 MET 79 1.584 7.157 -0.619 591 HG2 MET 79 HG2 MET 79 1.675 8.890 -2.385 592 HG3 MET 79 HG3 MET 79 1.905 7.636 -3.613 593 HE1 MET 79 HE1 MET 79 -0.070 8.618 -5.035 594 HE2 MET 79 HE2 MET 79 -1.687 8.966 -4.384 595 HE3 MET 79 HE3 MET 79 -0.285 9.899 -3.818 596 H LEU 80 H LEU 80 3.664 4.747 -2.581 597 HA LEU 80 HA LEU 80 5.755 5.104 -4.482 598 HB2 LEU 80 HB2 LEU 80 5.048 2.915 -3.680 599 HB3 LEU 80 HB3 LEU 80 3.433 3.157 -4.352 600 HG LEU 80 HG LEU 80 4.372 3.129 -6.652 601 HD11 LEU 80 HD11 LEU 80 7.004 2.396 -5.295 602 HD12 LEU 80 HD12 LEU 80 6.671 2.325 -7.037 603 HD13 LEU 80 HD13 LEU 80 6.693 3.884 -6.213 604 HD21 LEU 80 HD21 LEU 80 5.128 0.728 -4.942 605 HD22 LEU 80 HD22 LEU 80 3.524 1.073 -5.620 606 HD23 LEU 80 HD23 LEU 80 4.878 0.723 -6.704 607 H TYR 81 H TYR 81 5.826 5.936 -6.474 608 HA TYR 81 HA TYR 81 3.319 6.424 -8.001 609 HB2 TYR 81 HB2 TYR 81 4.146 8.522 -6.842 610 HB3 TYR 81 HB3 TYR 81 5.600 8.428 -7.824 611 HD1 TYR 81 HD1 TYR 81 1.870 8.683 -7.949 612 HD2 TYR 81 HD2 TYR 81 5.573 9.272 -10.088 613 HE1 TYR 81 HE1 TYR 81 0.626 9.830 -9.770 614 HE2 TYR 81 HE2 TYR 81 4.305 10.414 -11.928 615 HH TYR 81 HH TYR 81 0.762 10.893 -11.806 616 H ASP 82 H ASP 82 3.538 6.410 -10.295 617 HA ASP 82 HA ASP 82 5.280 4.281 -11.098 618 HB2 ASP 82 HB2 ASP 82 2.949 4.600 -11.871 619 HB3 ASP 82 HB3 ASP 82 3.452 6.036 -12.769 620 H SER 83 H SER 83 5.320 7.770 -11.964 621 HA SER 83 HA SER 83 7.657 7.387 -13.719 622 HB2 SER 83 HB2 SER 83 6.236 9.951 -12.952 623 HB3 SER 83 HB3 SER 83 7.470 9.758 -14.205 624 HG SER 83 HG SER 83 5.362 9.685 -15.113 625 H ASP 84 H ASP 84 9.694 7.381 -13.010 626 HA ASP 84 HA ASP 84 10.298 7.749 -10.284 627 HB2 ASP 84 HB2 ASP 84 12.548 7.227 -10.836 628 HB3 ASP 84 HB3 ASP 84 11.497 6.234 -11.829 629 H SER 85 H SER 85 10.854 10.075 -12.983 630 HA SER 85 HA SER 85 12.261 11.979 -11.373 631 HB2 SER 85 HB2 SER 85 10.703 12.189 -13.951 632 HB3 SER 85 HB3 SER 85 11.246 13.649 -13.119 633 HG SER 85 HG SER 85 12.865 11.504 -14.078 634 H GLN 86 H GLN 86 8.731 11.495 -11.793 635 HA GLN 86 HA GLN 86 8.033 13.822 -10.174 636 HB2 GLN 86 HB2 GLN 86 6.449 11.384 -11.049 637 HB3 GLN 86 HB3 GLN 86 5.759 12.721 -10.136 638 HG2 GLN 86 HG2 GLN 86 7.045 12.999 -12.895 639 HG3 GLN 86 HG3 GLN 86 5.325 12.816 -12.600 640 HE21 GLN 86 HE22 GLN 86 5.923 14.996 -14.038 641 HE22 GLN 86 HE21 GLN 86 5.843 16.440 -13.038 642 H GLN 87 H GLN 87 8.396 10.307 -9.458 643 HA GLN 87 HA GLN 87 7.658 10.408 -6.716 644 HB2 GLN 87 HB2 GLN 87 8.011 8.332 -8.042 645 HB3 GLN 87 HB3 GLN 87 9.716 8.709 -8.185 646 HG2 GLN 87 HG2 GLN 87 9.709 7.079 -6.574 647 HG3 GLN 87 HG3 GLN 87 9.848 8.533 -5.607 648 HE21 GLN 87 HE22 GLN 87 7.653 9.333 -4.563 649 HE22 GLN 87 HE21 GLN 87 6.499 8.052 -4.200 650 H ILE 88 H ILE 88 10.876 10.844 -8.232 651 HA ILE 88 HA ILE 88 12.298 11.387 -5.776 652 HB ILE 88 HB ILE 88 12.938 11.940 -8.694 653 HG12 ILE 88 HG12 ILE 88 12.806 9.514 -7.938 654 HG13 ILE 88 HG13 ILE 88 14.317 10.024 -8.672 655 HG21 ILE 88 HG21 ILE 88 15.335 12.206 -7.897 656 HG22 ILE 88 HG22 ILE 88 14.256 13.551 -7.503 657 HG23 ILE 88 HG23 ILE 88 14.691 12.381 -6.246 658 HD11 ILE 88 HD11 ILE 88 15.444 10.044 -6.519 659 HD12 ILE 88 HD12 ILE 88 13.904 9.773 -5.667 660 HD13 ILE 88 HD13 ILE 88 14.578 8.512 -6.708 661 H LEU 89 H LEU 89 10.897 13.633 -8.279 662 HA LEU 89 HA LEU 89 11.627 16.013 -6.926 663 HB2 LEU 89 HB2 LEU 89 10.724 15.937 -9.257 664 HB3 LEU 89 HB3 LEU 89 9.182 15.361 -8.648 665 HG LEU 89 HG LEU 89 8.852 17.535 -7.438 666 HD11 LEU 89 HD11 LEU 89 11.216 18.249 -7.210 667 HD12 LEU 89 HD12 LEU 89 11.330 18.419 -8.984 668 HD13 LEU 89 HD13 LEU 89 10.249 19.462 -8.046 669 HD21 LEU 89 HD21 LEU 89 7.865 17.166 -9.641 670 HD22 LEU 89 HD22 LEU 89 8.371 18.856 -9.458 671 HD23 LEU 89 HD23 LEU 89 9.349 17.731 -10.429 672 H ASN 90 H ASN 90 8.550 14.126 -6.547 673 HA ASN 90 HA ASN 90 7.429 15.824 -4.601 674 HB2 ASN 90 HB2 ASN 90 6.270 14.010 -5.876 675 HB3 ASN 90 HB3 ASN 90 7.102 12.794 -4.909 676 HD21 ASN 90 HD22 ASN 90 4.603 12.324 -4.726 677 HD22 ASN 90 HD21 ASN 90 3.833 13.068 -3.333 678 H ARG 91 H ARG 91 9.422 12.813 -3.968 679 HA ARG 91 HA ARG 91 9.405 13.361 -1.135 680 HB2 ARG 91 HB2 ARG 91 9.817 11.112 -2.247 681 HB3 ARG 91 HB3 ARG 91 11.483 11.635 -2.546 682 HG2 ARG 91 HG2 ARG 91 11.769 12.026 -0.076 683 HG3 ARG 91 HG3 ARG 91 10.089 11.550 0.180 684 HD2 ARG 91 HD2 ARG 91 10.696 9.274 -0.794 685 HD3 ARG 91 HD3 ARG 91 12.379 9.802 -0.770 686 HE ARG 91 HE ARG 91 12.436 9.688 1.565 687 HH11 ARG 91 HH11 ARG 91 9.107 9.056 0.567 688 HH12 ARG 91 HH12 ARG 91 8.712 8.374 2.132 689 HH21 ARG 91 HH21 ARG 91 11.766 8.888 3.553 690 HH22 ARG 91 HH22 ARG 91 10.115 8.345 3.735 691 H LEU 92 H LEU 92 11.671 14.479 -3.664 692 HA LEU 92 HA LEU 92 13.577 15.533 -1.755 693 HB2 LEU 92 HB2 LEU 92 14.055 14.963 -4.140 694 HB3 LEU 92 HB3 LEU 92 13.023 16.296 -4.648 695 HG LEU 92 HG LEU 92 14.612 17.880 -3.462 696 HD11 LEU 92 HD11 LEU 92 15.698 16.320 -1.886 697 HD12 LEU 92 HD12 LEU 92 16.341 15.373 -3.249 698 HD13 LEU 92 HD13 LEU 92 16.896 17.043 -2.964 699 HD21 LEU 92 HD21 LEU 92 16.372 17.642 -5.224 700 HD22 LEU 92 HD22 LEU 92 15.702 16.055 -5.648 701 HD23 LEU 92 HD23 LEU 92 14.725 17.527 -5.866 702 H ARG 93 H ARG 93 10.675 16.928 -3.372 703 HA ARG 93 HA ARG 93 11.012 19.609 -2.364 704 HB2 ARG 93 HB2 ARG 93 9.507 18.877 -4.278 705 HB3 ARG 93 HB3 ARG 93 8.428 18.152 -3.082 706 HG2 ARG 93 HG2 ARG 93 8.323 20.534 -2.008 707 HG3 ARG 93 HG3 ARG 93 9.141 21.088 -3.472 708 HD2 ARG 93 HD2 ARG 93 6.810 21.435 -3.811 709 HD3 ARG 93 HD3 ARG 93 7.240 20.023 -4.797 710 HE ARG 93 HE ARG 93 6.346 19.234 -2.134 711 HH11 ARG 93 HH11 ARG 93 4.921 20.314 -5.167 712 HH12 ARG 93 HH12 ARG 93 3.394 19.569 -4.775 713 HH21 ARG 93 HH21 ARG 93 4.553 18.403 -1.719 714 HH22 ARG 93 HH22 ARG 93 3.157 18.468 -2.808 715 H GLU 94 H GLU 94 9.123 16.798 -1.040 716 HA GLU 94 HA GLU 94 8.363 18.299 1.314 717 HB2 GLU 94 HB2 GLU 94 8.568 15.287 0.988 718 HB3 GLU 94 HB3 GLU 94 7.726 16.155 2.271 719 HG2 GLU 94 HG2 GLU 94 7.005 16.048 -0.671 720 HG3 GLU 94 HG3 GLU 94 6.095 15.396 0.678 721 H ARG 95 H ARG 95 11.125 16.062 0.745 722 HA ARG 95 HA ARG 95 12.263 16.129 3.344 723 HB2 ARG 95 HB2 ARG 95 12.879 14.621 1.491 724 HB3 ARG 95 HB3 ARG 95 13.566 15.970 0.589 725 HG2 ARG 95 HG2 ARG 95 15.296 16.224 2.412 726 HG3 ARG 95 HG3 ARG 95 14.603 14.783 3.199 727 HD2 ARG 95 HD2 ARG 95 14.962 13.567 0.959 728 HD3 ARG 95 HD3 ARG 95 15.837 14.994 0.412 729 HE ARG 95 HE ARG 95 17.548 14.626 2.062 730 HH11 ARG 95 HH22 ARG 95 15.258 11.956 2.179 731 HH12 ARG 95 HH21 ARG 95 16.514 10.784 2.529 732 HH21 ARG 95 HH11 ARG 95 19.072 13.079 2.427 733 HH22 ARG 95 HH12 ARG 95 18.570 11.435 2.830 734 H VAL 96 H VAL 96 12.907 18.386 0.613 735 HA VAL 96 HA VAL 96 14.743 19.937 2.315 736 HB VAL 96 HB VAL 96 13.971 20.215 -0.603 737 HG11 VAL 96 HG11 VAL 96 16.027 21.639 -0.763 738 HG12 VAL 96 HG12 VAL 96 14.748 22.393 0.176 739 HG13 VAL 96 HG13 VAL 96 16.130 21.639 1.015 740 HG21 VAL 96 HG21 VAL 96 16.467 19.100 0.772 741 HG22 VAL 96 HG22 VAL 96 15.255 18.152 -0.118 742 HG23 VAL 96 HG23 VAL 96 16.268 19.306 -0.978 743 H SER 97 H SER 97 11.492 20.399 0.949 744 HA SER 97 HA SER 97 11.346 23.107 2.205 745 HB2 SER 97 HB2 SER 97 10.046 22.204 -0.382 746 HB3 SER 97 HB3 SER 97 10.039 23.831 0.322 747 HG SER 97 HG SER 97 11.649 23.743 -1.247 748 H GLY 98 H GLY 98 10.039 20.091 2.779 749 HA2 GLY 98 HA2 GLY 98 7.253 20.510 2.847 750 HA3 GLY 98 HA3 GLY 98 8.157 19.401 3.880 751 H SER 99 H SER 99 9.706 21.779 5.063 752 HA SER 99 HA SER 99 7.908 22.561 7.204 753 HB2 SER 99 HB2 SER 99 9.834 24.102 7.767 754 HB3 SER 99 HB3 SER 99 10.229 22.376 7.706 755 HG SER 99 HG SER 99 11.783 23.670 6.565 756 H THR 100 H THR 100 9.471 24.378 4.526 757 HA THR 100 HA THR 100 8.101 26.814 4.735 758 HB THR 100 HB THR 100 8.927 25.523 2.111 759 HG1 THR 100 HG1 THR 100 10.586 26.921 3.955 760 HG21 THR 100 HG21 THR 100 7.854 27.700 1.820 761 HG22 THR 100 HG22 THR 100 8.913 28.422 3.056 762 HG23 THR 100 HG23 THR 100 9.589 27.845 1.510 763 H ALA 101 H ALA 101 7.089 23.864 2.982 764 HA ALA 101 HA ALA 101 4.727 24.928 1.796 765 HB1 ALA 101 HB1 ALA 101 4.175 22.562 1.431 766 HB2 ALA 101 HB2 ALA 101 5.899 22.838 1.117 767 HB3 ALA 101 HB3 ALA 101 5.378 22.068 2.638 768 H GLN 102 H GLN 102 5.306 24.311 5.123 769 HA GLN 102 HA GLN 102 2.382 24.251 5.773 770 HB2 GLN 102 HB2 GLN 102 4.777 23.104 7.257 771 HB3 GLN 102 HB3 GLN 102 3.144 23.209 7.927 772 HG2 GLN 102 HG2 GLN 102 2.250 21.774 6.156 773 HG3 GLN 102 HG3 GLN 102 3.830 21.692 5.372 774 HE21 GLN 102 HE22 GLN 102 5.574 20.545 6.449 775 HE22 GLN 102 HE21 GLN 102 5.195 19.328 7.676 776 H SER 103 H SER 103 4.888 26.445 5.637 777 HA SER 103 HA SER 103 4.641 27.841 8.123 778 HB2 SER 103 HB2 SER 103 5.406 28.865 5.362 779 HB3 SER 103 HB3 SER 103 5.638 29.744 6.883 780 HG SER 103 HG SER 103 7.077 28.134 7.576 781 H ALA 104 H ALA 104 3.509 29.683 8.704 782 HA ALA 104 HA ALA 104 0.832 30.032 7.649 783 HB1 ALA 104 HB1 ALA 104 2.380 31.606 9.751 784 HB2 ALA 104 HB2 ALA 104 0.636 31.705 9.437 785 HB3 ALA 104 HB3 ALA 104 1.335 30.197 10.053 Start of MODEL 16 1 H1 SER 1 H1 SER 1 -5.171 1.931 11.082 2 H2 SER 1 H2 SER 1 -5.165 3.340 11.909 3 H3 SER 1 H3 SER 1 -3.747 2.637 11.500 4 HA SER 1 HA SER 1 -4.227 2.333 13.845 5 HB2 SER 1 HB2 SER 1 -6.112 0.794 14.463 6 HB3 SER 1 HB3 SER 1 -6.612 2.375 13.842 7 HG SER 1 HG SER 1 -7.818 0.705 12.858 8 H VAL 2 H VAL 2 -5.325 -0.582 12.039 9 HA VAL 2 HA VAL 2 -3.063 -2.131 13.070 10 HB VAL 2 HB VAL 2 -4.042 -4.019 11.855 11 HG11 VAL 2 HG11 VAL 2 -6.065 -4.225 13.183 12 HG12 VAL 2 HG12 VAL 2 -4.794 -3.450 14.142 13 HG13 VAL 2 HG13 VAL 2 -6.116 -2.475 13.465 14 HG21 VAL 2 HG21 VAL 2 -5.023 -2.847 9.897 15 HG22 VAL 2 HG22 VAL 2 -6.203 -3.862 10.735 16 HG23 VAL 2 HG23 VAL 2 -6.243 -2.104 10.955 17 H SER 3 H SER 3 -1.563 -3.369 11.807 18 HA SER 3 HA SER 3 -0.192 -1.864 9.807 19 HB2 SER 3 HB2 SER 3 0.101 -4.801 10.546 20 HB3 SER 3 HB3 SER 3 1.268 -3.827 9.635 21 HG SER 3 HG SER 3 1.796 -3.957 11.886 22 H ILE 4 H ILE 4 0.115 -2.175 7.618 23 HA ILE 4 HA ILE 4 -2.191 -3.298 6.211 24 HB ILE 4 HB ILE 4 -1.596 -2.055 4.344 25 HG12 ILE 4 HG12 ILE 4 0.748 -2.395 4.044 26 HG13 ILE 4 HG13 ILE 4 0.383 -0.687 4.045 27 HG21 ILE 4 HG21 ILE 4 -2.621 -0.826 6.191 28 HG22 ILE 4 HG22 ILE 4 -1.025 -0.300 6.759 29 HG23 ILE 4 HG23 ILE 4 -1.618 0.212 5.169 30 HD11 ILE 4 HD11 ILE 4 2.473 -1.079 5.192 31 HD12 ILE 4 HD12 ILE 4 1.290 -0.502 6.375 32 HD13 ILE 4 HD13 ILE 4 1.725 -2.230 6.306 33 H LEU 5 H LEU 5 0.552 -4.817 7.100 34 HA LEU 5 HA LEU 5 1.866 -6.489 6.354 35 HB2 LEU 5 HB2 LEU 5 -0.396 -7.522 6.629 36 HB3 LEU 5 HB3 LEU 5 -0.646 -7.369 4.896 37 HG LEU 5 HG LEU 5 1.246 -8.936 4.479 38 HD11 LEU 5 HD11 LEU 5 2.678 -8.549 6.429 39 HD12 LEU 5 HD12 LEU 5 1.393 -9.128 7.518 40 HD13 LEU 5 HD13 LEU 5 2.188 -10.239 6.382 41 HD21 LEU 5 HD21 LEU 5 0.146 -10.953 5.324 42 HD22 LEU 5 HD22 LEU 5 -0.789 -9.984 6.488 43 HD23 LEU 5 HD23 LEU 5 -1.056 -9.787 4.744 44 H ARG 6 H ARG 6 2.680 -4.444 5.144 45 HA ARG 6 HA ARG 6 3.709 -3.447 3.415 46 HB2 ARG 6 HB2 ARG 6 5.534 -4.711 2.517 47 HB3 ARG 6 HB3 ARG 6 5.275 -4.974 4.218 48 HG2 ARG 6 HG2 ARG 6 5.974 -7.003 3.336 49 HG3 ARG 6 HG3 ARG 6 4.285 -7.231 3.721 50 HD2 ARG 6 HD2 ARG 6 5.230 -6.539 0.906 51 HD3 ARG 6 HD3 ARG 6 5.273 -8.202 1.521 52 HE ARG 6 HE ARG 6 2.684 -7.319 2.043 53 HH11 ARG 6 HH11 ARG 6 4.540 -7.827 -0.889 54 HH12 ARG 6 HH12 ARG 6 3.117 -8.143 -1.841 55 HH21 ARG 6 HH21 ARG 6 0.932 -7.733 0.805 56 HH22 ARG 6 HH22 ARG 6 1.106 -8.101 -0.891 57 H SER 7 H SER 7 0.999 -4.153 2.523 58 HA SER 7 HA SER 7 1.119 -4.660 -0.309 59 HB2 SER 7 HB2 SER 7 -1.199 -3.899 -0.320 60 HB3 SER 7 HB3 SER 7 -0.899 -5.011 1.032 61 HG SER 7 HG SER 7 -2.094 -3.132 1.675 62 H SER 8 H SER 8 1.627 -1.716 1.542 63 HA SER 8 HA SER 8 1.237 0.125 -0.678 64 HB2 SER 8 HB2 SER 8 2.094 1.805 0.942 65 HB3 SER 8 HB3 SER 8 0.727 0.859 1.549 66 HG SER 8 HG SER 8 2.496 1.101 3.079 67 H VAL 9 H VAL 9 2.901 1.614 -1.437 68 HA VAL 9 HA VAL 9 5.366 0.270 -2.245 69 HB VAL 9 HB VAL 9 4.431 3.135 -2.666 70 HG11 VAL 9 HG11 VAL 9 6.142 3.201 -4.472 71 HG12 VAL 9 HG12 VAL 9 6.882 3.049 -2.881 72 HG13 VAL 9 HG13 VAL 9 6.759 1.621 -3.943 73 HG21 VAL 9 HG21 VAL 9 2.994 1.474 -3.814 74 HG22 VAL 9 HG22 VAL 9 3.970 2.377 -4.975 75 HG23 VAL 9 HG23 VAL 9 4.431 0.718 -4.535 76 H ASN 10 H ASN 10 7.338 0.381 -1.317 77 HA ASN 10 HA ASN 10 7.683 1.930 1.176 78 HB2 ASN 10 HB2 ASN 10 8.302 -0.460 1.055 79 HB3 ASN 10 HB3 ASN 10 9.491 -0.097 -0.202 80 HD21 ASN 10 HD22 ASN 10 10.529 -1.374 1.886 81 HD22 ASN 10 HD21 ASN 10 11.385 -0.266 2.947 82 H HIS 11 H HIS 11 8.508 3.923 1.195 83 HA HIS 11 HA HIS 11 9.780 5.033 -1.204 84 HB2 HIS 11 HB2 HIS 11 8.767 6.259 1.358 85 HB3 HIS 11 HB3 HIS 11 9.735 7.173 0.196 86 HD2 HIS 11 HD2 HIS 11 6.368 5.197 0.279 87 HE1 HIS 11 HE1 HIS 11 6.297 7.704 -3.166 88 HE2 HIS 11 HE2 HIS 11 4.956 6.045 -1.773 89 H ARG 12 H ARG 12 11.144 3.337 1.388 90 HA ARG 12 HA ARG 12 13.664 4.626 1.664 91 HB2 ARG 12 HB2 ARG 12 12.945 2.669 2.974 92 HB3 ARG 12 HB3 ARG 12 12.964 1.671 1.517 93 HG2 ARG 12 HG2 ARG 12 14.895 1.263 2.975 94 HG3 ARG 12 HG3 ARG 12 15.371 1.780 1.364 95 HD2 ARG 12 HD2 ARG 12 15.917 4.027 2.188 96 HD3 ARG 12 HD3 ARG 12 15.304 3.613 3.799 97 HE ARG 12 HE ARG 12 17.169 1.659 3.344 98 HH11 ARG 12 HH11 ARG 12 17.524 5.195 3.242 99 HH12 ARG 12 HH12 ARG 12 19.186 5.072 3.747 100 HH21 ARG 12 HH21 ARG 12 19.286 1.651 3.920 101 HH22 ARG 12 HH22 ARG 12 20.156 3.144 4.094 102 H GLU 13 H GLU 13 12.388 2.720 -1.048 103 HA GLU 13 HA GLU 13 14.788 2.481 -2.576 104 HB2 GLU 13 HB2 GLU 13 12.541 1.350 -2.924 105 HB3 GLU 13 HB3 GLU 13 11.939 2.875 -3.562 106 HG2 GLU 13 HG2 GLU 13 12.501 1.621 -5.460 107 HG3 GLU 13 HG3 GLU 13 13.827 2.761 -5.298 108 H VAL 14 H VAL 14 12.394 5.155 -2.373 109 HA VAL 14 HA VAL 14 13.724 6.811 -4.372 110 HB VAL 14 HB VAL 14 11.590 7.453 -2.301 111 HG11 VAL 14 HG11 VAL 14 11.208 9.481 -3.809 112 HG12 VAL 14 HG12 VAL 14 12.632 9.542 -2.757 113 HG13 VAL 14 HG13 VAL 14 12.823 9.171 -4.478 114 HG21 VAL 14 HG21 VAL 14 10.075 7.449 -4.220 115 HG22 VAL 14 HG22 VAL 14 11.420 7.055 -5.320 116 HG23 VAL 14 HG23 VAL 14 10.878 5.885 -4.101 117 H ASP 15 H ASP 15 13.708 6.712 -0.781 118 HA ASP 15 HA ASP 15 15.460 8.918 -0.323 119 HB2 ASP 15 HB2 ASP 15 14.167 7.912 1.445 120 HB3 ASP 15 HB3 ASP 15 14.882 6.334 1.145 121 H GLU 16 H GLU 16 16.272 5.417 -0.768 122 HA GLU 16 HA GLU 16 19.116 5.784 -0.706 123 HB2 GLU 16 HB2 GLU 16 18.044 3.626 -0.323 124 HB3 GLU 16 HB3 GLU 16 17.408 3.604 -1.977 125 HG2 GLU 16 HG2 GLU 16 19.647 3.503 -2.916 126 HG3 GLU 16 HG3 GLU 16 20.382 3.754 -1.328 127 H ALA 17 H ALA 17 16.797 5.809 -3.493 128 HA ALA 17 HA ALA 17 18.844 6.023 -5.451 129 HB1 ALA 17 HB1 ALA 17 15.933 6.956 -5.546 130 HB2 ALA 17 HB2 ALA 17 17.009 6.799 -6.951 131 HB3 ALA 17 HB3 ALA 17 16.550 5.356 -6.028 132 H ILE 18 H ILE 18 17.029 8.560 -3.659 133 HA ILE 18 HA ILE 18 18.292 10.813 -4.898 134 HB ILE 18 HB ILE 18 16.849 10.380 -2.268 135 HG12 ILE 18 HG12 ILE 18 16.206 12.070 -4.735 136 HG13 ILE 18 HG13 ILE 18 15.621 10.431 -4.480 137 HG21 ILE 18 HG21 ILE 18 18.511 12.118 -1.752 138 HG22 ILE 18 HG22 ILE 18 18.059 13.025 -3.214 139 HG23 ILE 18 HG23 ILE 18 16.922 12.833 -1.868 140 HD11 ILE 18 HD11 ILE 18 13.846 11.918 -3.884 141 HD12 ILE 18 HD12 ILE 18 14.468 11.215 -2.371 142 HD13 ILE 18 HD13 ILE 18 14.890 12.883 -2.839 143 H ASP 19 H ASP 19 19.212 8.980 -1.895 144 HA ASP 19 HA ASP 19 21.556 10.517 -1.348 145 HB2 ASP 19 HB2 ASP 19 20.441 8.995 0.233 146 HB3 ASP 19 HB3 ASP 19 20.884 7.604 -0.758 147 H ASN 20 H ASN 20 21.177 7.554 -3.387 148 HA ASN 20 HA ASN 20 23.927 7.317 -4.085 149 HB2 ASN 20 HB2 ASN 20 22.218 5.549 -4.388 150 HB3 ASN 20 HB3 ASN 20 21.429 6.514 -5.633 151 HD21 ASN 20 HD22 ASN 20 22.383 6.564 -7.773 152 HD22 ASN 20 HD21 ASN 20 23.765 5.560 -8.151 153 H ILE 21 H ILE 21 21.294 9.186 -5.681 154 HA ILE 21 HA ILE 21 22.943 10.199 -7.838 155 HB ILE 21 HB ILE 21 20.286 11.023 -6.625 156 HG12 ILE 21 HG12 ILE 21 20.987 10.181 -9.470 157 HG13 ILE 21 HG13 ILE 21 20.635 8.997 -8.208 158 HG21 ILE 21 HG21 ILE 21 21.911 12.513 -8.728 159 HG22 ILE 21 HG22 ILE 21 20.150 12.691 -8.584 160 HG23 ILE 21 HG23 ILE 21 21.182 13.160 -7.244 161 HD11 ILE 21 HD11 ILE 21 18.631 9.395 -9.506 162 HD12 ILE 21 HD12 ILE 21 18.389 9.998 -7.854 163 HD13 ILE 21 HD13 ILE 21 18.701 11.133 -9.180 164 H LEU 22 H LEU 22 22.063 11.536 -4.631 165 HA LEU 22 HA LEU 22 23.365 14.010 -4.779 166 HB2 LEU 22 HB2 LEU 22 21.768 13.210 -3.050 167 HB3 LEU 22 HB3 LEU 22 22.960 12.053 -2.481 168 HG LEU 22 HG LEU 22 24.445 13.979 -1.843 169 HD11 LEU 22 HD11 LEU 22 23.269 16.163 -1.529 170 HD12 LEU 22 HD12 LEU 22 23.465 15.749 -3.233 171 HD13 LEU 22 HD13 LEU 22 21.886 15.540 -2.458 172 HD21 LEU 22 HD21 LEU 22 21.689 13.774 -0.561 173 HD22 LEU 22 HD22 LEU 22 23.106 12.768 -0.198 174 HD23 LEU 22 HD23 LEU 22 23.133 14.491 0.200 175 H ARG 23 H ARG 23 24.735 10.849 -3.687 176 HA ARG 23 HA ARG 23 27.429 11.890 -3.332 177 HB2 ARG 23 HB2 ARG 23 26.329 9.062 -3.588 178 HB3 ARG 23 HB3 ARG 23 28.017 9.444 -3.204 179 HG2 ARG 23 HG2 ARG 23 27.332 10.642 -1.165 180 HG3 ARG 23 HG3 ARG 23 25.634 10.363 -1.549 181 HD2 ARG 23 HD2 ARG 23 26.223 7.838 -1.547 182 HD3 ARG 23 HD3 ARG 23 27.708 8.314 -0.714 183 HE ARG 23 HE ARG 23 24.920 8.367 0.252 184 HH11 ARG 23 HH21 ARG 23 28.208 9.270 1.165 185 HH12 ARG 23 HH22 ARG 23 27.693 9.747 2.758 186 HH21 ARG 23 HH11 ARG 23 24.338 9.221 2.081 187 HH22 ARG 23 HH12 ARG 23 25.515 9.651 3.318 188 H TYR 24 H TYR 24 25.909 10.028 -6.035 189 HA TYR 24 HA TYR 24 28.212 9.803 -7.662 190 HB2 TYR 24 HB2 TYR 24 26.177 8.552 -8.058 191 HB3 TYR 24 HB3 TYR 24 25.255 10.032 -8.301 192 HD1 TYR 24 HD2 TYR 24 28.239 8.228 -9.734 193 HD2 TYR 24 HD1 TYR 24 24.795 10.719 -10.494 194 HE1 TYR 24 HE2 TYR 24 28.675 8.097 -12.187 195 HE2 TYR 24 HE1 TYR 24 25.216 10.559 -12.938 196 HH TYR 24 HH TYR 24 26.569 9.704 -14.600 197 H THR 25 H THR 25 25.871 12.500 -7.440 198 HA THR 25 HA THR 25 27.248 14.070 -9.503 199 HB THR 25 HB THR 25 25.636 15.835 -8.897 200 HG1 THR 25 HG1 THR 25 24.399 13.919 -7.241 201 HG21 THR 25 HG21 THR 25 24.976 14.263 -10.635 202 HG22 THR 25 HG22 THR 25 24.346 13.135 -9.415 203 HG23 THR 25 HG23 THR 25 23.584 14.721 -9.634 204 H ASN 26 H ASN 26 28.068 13.525 -6.270 205 HA ASN 26 HA ASN 26 29.256 14.630 -4.706 206 HB2 ASN 26 HB2 ASN 26 30.922 14.395 -6.515 207 HB3 ASN 26 HB3 ASN 26 30.488 15.975 -7.143 208 HD21 ASN 26 HD22 ASN 26 31.980 17.480 -6.620 209 HD22 ASN 26 HD21 ASN 26 32.907 17.494 -5.118 210 H SER 27 H SER 27 26.686 15.631 -5.001 211 HA SER 27 HA SER 27 26.931 18.615 -4.783 212 HB2 SER 27 HB2 SER 27 24.689 18.739 -5.619 213 HB3 SER 27 HB3 SER 27 25.652 17.738 -6.711 214 HG SER 27 HG SER 27 24.492 16.025 -6.185 215 H THR 28 H THR 28 25.069 19.637 -3.567 216 HA THR 28 HA THR 28 24.366 18.096 -1.095 217 HB THR 28 HB THR 28 25.690 20.014 -0.512 218 HG1 THR 28 HG1 THR 28 24.258 20.733 1.036 219 HG21 THR 28 HG21 THR 28 25.174 21.642 -2.255 220 HG22 THR 28 HG22 THR 28 23.474 21.718 -1.738 221 HG23 THR 28 HG23 THR 28 24.770 22.308 -0.677 222 H GLU 29 H GLU 29 22.167 18.337 -0.272 223 HA GLU 29 HA GLU 29 20.393 17.650 -2.387 224 HB2 GLU 29 HB2 GLU 29 19.739 18.351 0.501 225 HB3 GLU 29 HB3 GLU 29 18.662 17.527 -0.637 226 HG2 GLU 29 HG2 GLU 29 20.214 15.663 -0.844 227 HG3 GLU 29 HG3 GLU 29 21.349 16.428 0.274 228 H GLN 30 H GLN 30 20.871 20.810 -0.844 229 HA GLN 30 HA GLN 30 18.524 22.091 -1.919 230 HB2 GLN 30 HB2 GLN 30 21.268 23.189 -1.165 231 HB3 GLN 30 HB3 GLN 30 19.871 24.184 -1.603 232 HG2 GLN 30 HG2 GLN 30 18.581 23.246 0.294 233 HG3 GLN 30 HG3 GLN 30 19.961 22.252 0.760 234 HE21 GLN 30 HE22 GLN 30 19.229 23.671 2.819 235 HE22 GLN 30 HE21 GLN 30 20.179 25.138 3.005 236 H GLN 31 H GLN 31 21.752 21.459 -3.359 237 HA GLN 31 HA GLN 31 21.300 23.050 -5.768 238 HB2 GLN 31 HB2 GLN 31 23.180 20.723 -5.183 239 HB3 GLN 31 HB3 GLN 31 23.194 21.661 -6.671 240 HG2 GLN 31 HG2 GLN 31 23.864 23.666 -5.548 241 HG3 GLN 31 HG3 GLN 31 23.651 22.955 -3.953 242 HE21 GLN 31 HE22 GLN 31 26.148 24.133 -5.145 243 HE22 GLN 31 HE21 GLN 31 27.312 22.824 -5.042 244 H PHE 32 H PHE 32 20.893 19.580 -4.878 245 HA PHE 32 HA PHE 32 20.003 18.748 -7.471 246 HB2 PHE 32 HB2 PHE 32 20.941 17.284 -5.720 247 HB3 PHE 32 HB3 PHE 32 19.520 17.558 -4.720 248 HD1 PHE 32 HD1 PHE 32 18.820 17.054 -8.331 249 HD2 PHE 32 HD2 PHE 32 19.560 15.064 -4.570 250 HE1 PHE 32 HE1 PHE 32 17.725 15.026 -9.191 251 HE2 PHE 32 HE2 PHE 32 18.477 13.013 -5.468 252 HZ PHE 32 HZ PHE 32 17.511 13.006 -7.751 253 H LEU 33 H LEU 33 18.117 19.855 -4.573 254 HA LEU 33 HA LEU 33 15.557 19.630 -5.806 255 HB2 LEU 33 HB2 LEU 33 15.941 19.851 -3.410 256 HB3 LEU 33 HB3 LEU 33 16.576 21.468 -3.604 257 HG LEU 33 HG LEU 33 14.260 21.251 -2.643 258 HD11 LEU 33 HD11 LEU 33 14.219 22.936 -5.166 259 HD12 LEU 33 HD12 LEU 33 13.344 23.175 -3.652 260 HD13 LEU 33 HD13 LEU 33 15.098 23.372 -3.684 261 HD21 LEU 33 HD21 LEU 33 12.355 20.914 -4.116 262 HD22 LEU 33 HD22 LEU 33 13.410 20.603 -5.499 263 HD23 LEU 33 HD23 LEU 33 13.384 19.467 -4.129 264 H GLU 34 H GLU 34 17.771 22.454 -5.686 265 HA GLU 34 HA GLU 34 16.078 24.192 -7.172 266 HB2 GLU 34 HB2 GLU 34 18.032 24.900 -5.817 267 HB3 GLU 34 HB3 GLU 34 19.120 24.158 -7.001 268 HG2 GLU 34 HG2 GLU 34 18.321 25.716 -8.734 269 HG3 GLU 34 HG3 GLU 34 17.151 26.403 -7.607 270 H ALA 35 H ALA 35 18.602 21.932 -8.334 271 HA ALA 35 HA ALA 35 18.269 22.543 -11.110 272 HB1 ALA 35 HB1 ALA 35 19.243 19.995 -9.736 273 HB2 ALA 35 HB2 ALA 35 19.447 20.398 -11.457 274 HB3 ALA 35 HB3 ALA 35 20.225 21.398 -10.221 275 H MET 36 H MET 36 16.689 19.972 -9.074 276 HA MET 36 HA MET 36 15.102 18.940 -11.241 277 HB2 MET 36 HB2 MET 36 14.843 18.845 -8.211 278 HB3 MET 36 HB3 MET 36 13.673 18.064 -9.287 279 HG2 MET 36 HG2 MET 36 16.638 17.517 -9.499 280 HG3 MET 36 HG3 MET 36 15.580 16.588 -8.435 281 HE1 MET 36 HE1 MET 36 13.455 14.392 -10.675 282 HE2 MET 36 HE2 MET 36 14.335 14.515 -9.139 283 HE3 MET 36 HE3 MET 36 13.086 15.712 -9.544 284 H GLU 37 H GLU 37 14.439 21.662 -8.978 285 HA GLU 37 HA GLU 37 11.776 22.151 -9.999 286 HB2 GLU 37 HB2 GLU 37 12.639 23.030 -7.862 287 HB3 GLU 37 HB3 GLU 37 13.793 24.051 -8.731 288 HG2 GLU 37 HG2 GLU 37 11.949 25.300 -9.777 289 HG3 GLU 37 HG3 GLU 37 10.767 24.203 -9.046 290 H SER 38 H SER 38 15.026 23.335 -11.003 291 HA SER 38 HA SER 38 14.093 25.076 -13.075 292 HB2 SER 38 HB2 SER 38 16.320 25.142 -11.937 293 HB3 SER 38 HB3 SER 38 16.786 23.683 -12.837 294 HG SER 38 HG SER 38 17.451 25.691 -13.850 295 H THR 39 H THR 39 14.724 21.565 -13.094 296 HA THR 39 HA THR 39 14.477 21.476 -16.068 297 HB THR 39 HB THR 39 15.205 19.191 -15.944 298 HG1 THR 39 HG1 THR 39 15.648 18.225 -13.972 299 HG21 THR 39 HG21 THR 39 16.983 20.846 -15.977 300 HG22 THR 39 HG22 THR 39 16.979 20.941 -14.212 301 HG23 THR 39 HG23 THR 39 17.447 19.435 -15.009 302 H GLY 40 H GLY 40 12.293 21.416 -13.529 303 HA2 GLY 40 HA2 GLY 40 10.055 20.850 -13.470 304 HA3 GLY 40 HA3 GLY 40 10.146 20.334 -15.159 305 H GLY 41 H GLY 41 12.163 19.031 -12.533 306 HA2 GLY 41 HA2 GLY 41 12.122 16.998 -11.419 307 HA3 GLY 41 HA3 GLY 41 10.579 16.590 -12.164 308 H ARG 42 H ARG 42 13.044 17.489 -14.466 309 HA ARG 42 HA ARG 42 13.227 14.690 -15.431 310 HB2 ARG 42 HB2 ARG 42 14.088 17.403 -16.465 311 HB3 ARG 42 HB3 ARG 42 14.831 15.956 -17.133 312 HG2 ARG 42 HG2 ARG 42 11.814 16.196 -16.979 313 HG3 ARG 42 HG3 ARG 42 12.725 16.925 -18.302 314 HD2 ARG 42 HD2 ARG 42 13.685 14.739 -18.933 315 HD3 ARG 42 HD3 ARG 42 12.926 13.976 -17.555 316 HE ARG 42 HE ARG 42 10.890 13.915 -18.607 317 HH11 ARG 42 HH11 ARG 42 12.855 16.088 -20.560 318 HH12 ARG 42 HH12 ARG 42 11.664 16.134 -21.827 319 HH21 ARG 42 HH22 ARG 42 9.449 14.038 -20.255 320 HH22 ARG 42 HH21 ARG 42 9.794 15.000 -21.661 321 H VAL 43 H VAL 43 14.237 13.656 -13.755 322 HA VAL 43 HA VAL 43 16.525 14.504 -12.395 323 HB VAL 43 HB VAL 43 15.022 12.692 -11.705 324 HG11 VAL 43 HG11 VAL 43 16.586 10.866 -13.580 325 HG12 VAL 43 HG12 VAL 43 15.329 10.398 -12.422 326 HG13 VAL 43 HG13 VAL 43 14.897 11.384 -13.823 327 HG21 VAL 43 HG21 VAL 43 17.196 13.044 -10.597 328 HG22 VAL 43 HG22 VAL 43 16.675 11.349 -10.563 329 HG23 VAL 43 HG23 VAL 43 17.950 11.864 -11.690 330 H ARG 44 H ARG 44 16.529 12.706 -15.501 331 HA ARG 44 HA ARG 44 19.355 12.383 -15.634 332 HB2 ARG 44 HB2 ARG 44 19.074 11.934 -17.957 333 HB3 ARG 44 HB3 ARG 44 17.785 11.170 -17.041 334 HG2 ARG 44 HG2 ARG 44 16.203 13.012 -17.775 335 HG3 ARG 44 HG3 ARG 44 17.527 13.695 -18.732 336 HD2 ARG 44 HD2 ARG 44 17.728 11.578 -19.997 337 HD3 ARG 44 HD3 ARG 44 16.404 10.885 -19.076 338 HE ARG 44 HE ARG 44 16.263 13.125 -21.059 339 HH11 ARG 44 HH21 ARG 44 14.454 10.747 -19.216 340 HH12 ARG 44 HH22 ARG 44 13.006 10.998 -20.153 341 HH21 ARG 44 HH11 ARG 44 14.401 13.351 -22.232 342 HH22 ARG 44 HH12 ARG 44 12.990 12.416 -21.833 343 H ILE 45 H ILE 45 17.390 15.191 -16.523 344 HA ILE 45 HA ILE 45 19.674 16.655 -17.657 345 HB ILE 45 HB ILE 45 16.927 17.717 -16.919 346 HG12 ILE 45 HG12 ILE 45 17.987 16.681 -19.588 347 HG13 ILE 45 HG13 ILE 45 16.747 15.912 -18.599 348 HG21 ILE 45 HG21 ILE 45 18.757 19.463 -17.167 349 HG22 ILE 45 HG22 ILE 45 19.076 18.838 -18.796 350 HG23 ILE 45 HG23 ILE 45 17.525 19.606 -18.399 351 HD11 ILE 45 HD11 ILE 45 15.627 17.006 -20.384 352 HD12 ILE 45 HD12 ILE 45 15.289 17.946 -18.911 353 HD13 ILE 45 HD13 ILE 45 16.476 18.531 -20.105 354 H ALA 46 H ALA 46 17.964 16.484 -14.514 355 HA ALA 46 HA ALA 46 19.331 18.701 -13.331 356 HB1 ALA 46 HB1 ALA 46 17.237 17.759 -12.441 357 HB2 ALA 46 HB2 ALA 46 18.080 16.252 -12.011 358 HB3 ALA 46 HB3 ALA 46 18.510 17.773 -11.206 359 H ILE 47 H ILE 47 20.095 15.148 -13.225 360 HA ILE 47 HA ILE 47 22.559 15.593 -11.785 361 HB ILE 47 HB ILE 47 23.120 13.319 -12.150 362 HG12 ILE 47 HG12 ILE 47 20.869 13.173 -14.174 363 HG13 ILE 47 HG13 ILE 47 22.591 12.997 -14.496 364 HG21 ILE 47 HG21 ILE 47 20.121 13.467 -11.660 365 HG22 ILE 47 HG22 ILE 47 21.282 12.305 -11.002 366 HG23 ILE 47 HG23 ILE 47 21.343 14.005 -10.498 367 HD11 ILE 47 HD11 ILE 47 21.606 10.818 -14.512 368 HD12 ILE 47 HD12 ILE 47 22.614 10.941 -13.051 369 HD13 ILE 47 HD13 ILE 47 20.837 11.069 -12.939 370 H ALA 48 H ALA 48 21.861 15.406 -15.323 371 HA ALA 48 HA ALA 48 24.532 15.681 -16.206 372 HB1 ALA 48 HB1 ALA 48 21.937 16.782 -17.361 373 HB2 ALA 48 HB2 ALA 48 23.476 16.666 -18.236 374 HB3 ALA 48 HB3 ALA 48 22.658 15.191 -17.685 375 H LYS 49 H LYS 49 22.226 18.317 -15.239 376 HA LYS 49 HA LYS 49 24.075 20.478 -15.735 377 HB2 LYS 49 HB2 LYS 49 21.596 20.207 -13.977 378 HB3 LYS 49 HB3 LYS 49 22.477 21.722 -14.132 379 HG2 LYS 49 HG2 LYS 49 21.390 20.243 -16.560 380 HG3 LYS 49 HG3 LYS 49 20.429 21.401 -15.629 381 HD2 LYS 49 HD2 LYS 49 22.050 23.186 -16.098 382 HD3 LYS 49 HD3 LYS 49 23.084 22.052 -16.993 383 HE2 LYS 49 HE2 LYS 49 21.240 21.619 -18.597 384 HE3 LYS 49 HE3 LYS 49 20.196 22.741 -17.710 385 HZ1 LYS 49 HZ1 LYS 49 21.226 23.821 -19.630 386 HZ2 LYS 49 HZ2 LYS 49 21.767 24.542 -18.270 387 HZ3 LYS 49 HZ3 LYS 49 22.729 23.499 -19.093 388 H LEU 50 H LEU 50 23.360 18.654 -12.724 389 HA LEU 50 HA LEU 50 25.206 20.082 -11.052 390 HB2 LEU 50 HB2 LEU 50 23.733 17.467 -10.972 391 HB3 LEU 50 HB3 LEU 50 25.167 17.588 -9.973 392 HG LEU 50 HG LEU 50 24.328 19.407 -8.703 393 HD11 LEU 50 HD11 LEU 50 22.053 20.333 -9.010 394 HD12 LEU 50 HD12 LEU 50 23.093 20.717 -10.390 395 HD13 LEU 50 HD13 LEU 50 21.889 19.413 -10.525 396 HD21 LEU 50 HD21 LEU 50 22.425 18.342 -7.629 397 HD22 LEU 50 HD22 LEU 50 22.060 17.402 -9.096 398 HD23 LEU 50 HD23 LEU 50 23.534 17.081 -8.169 399 H LEU 51 H LEU 51 25.781 17.258 -13.208 400 HA LEU 51 HA LEU 51 28.567 17.027 -12.419 401 HB2 LEU 51 HB2 LEU 51 26.955 15.982 -14.766 402 HB3 LEU 51 HB3 LEU 51 28.663 15.622 -14.549 403 HG LEU 51 HG LEU 51 26.554 14.944 -12.445 404 HD11 LEU 51 HD11 LEU 51 27.785 13.168 -14.596 405 HD12 LEU 51 HD12 LEU 51 26.710 12.638 -13.281 406 HD13 LEU 51 HD13 LEU 51 26.095 13.724 -14.538 407 HD21 LEU 51 HD21 LEU 51 28.291 13.366 -11.636 408 HD22 LEU 51 HD22 LEU 51 29.428 14.016 -12.830 409 HD23 LEU 51 HD23 LEU 51 28.824 15.047 -11.517 410 H SER 52 H SER 52 27.024 18.526 -15.348 411 HA SER 52 HA SER 52 29.471 19.434 -16.470 412 HB2 SER 52 HB2 SER 52 26.635 20.465 -16.808 413 HB3 SER 52 HB3 SER 52 28.018 20.976 -17.798 414 HG SER 52 HG SER 52 26.857 19.234 -18.772 415 H LYS 53 H LYS 53 27.583 20.928 -13.883 416 HA LYS 53 HA LYS 53 28.808 23.512 -13.926 417 HB2 LYS 53 HB2 LYS 53 26.733 22.839 -12.691 418 HB3 LYS 53 HB3 LYS 53 27.703 21.848 -11.609 419 HG2 LYS 53 HG2 LYS 53 27.045 23.950 -10.560 420 HG3 LYS 53 HG3 LYS 53 28.790 23.832 -10.688 421 HD2 LYS 53 HD2 LYS 53 28.102 26.090 -11.190 422 HD3 LYS 53 HD3 LYS 53 28.736 25.362 -12.667 423 HE2 LYS 53 HE2 LYS 53 26.417 24.933 -13.463 424 HE3 LYS 53 HE3 LYS 53 25.777 25.592 -11.950 425 HZ1 LYS 53 HZ1 LYS 53 27.366 27.141 -13.941 426 HZ2 LYS 53 HZ2 LYS 53 25.751 27.263 -13.722 427 HZ3 LYS 53 HZ3 LYS 53 26.764 27.750 -12.544 428 H GLN 54 H GLN 54 30.138 20.442 -13.003 429 HA GLN 54 HA GLN 54 32.351 21.668 -11.417 430 HB2 GLN 54 HB2 GLN 54 31.281 18.831 -11.597 431 HB3 GLN 54 HB3 GLN 54 32.745 19.277 -10.714 432 HG2 GLN 54 HG2 GLN 54 31.523 20.701 -9.192 433 HG3 GLN 54 HG3 GLN 54 30.040 20.559 -10.139 434 HE21 GLN 54 HE22 GLN 54 28.755 18.655 -9.988 435 HE22 GLN 54 HE21 GLN 54 29.055 17.469 -8.723 436 H THR 55 H THR 55 34.537 20.856 -11.720 437 HA THR 55 HA THR 55 35.263 20.795 -14.561 438 HB THR 55 HB THR 55 37.581 20.957 -13.697 439 HG1 THR 55 HG1 THR 55 37.835 21.221 -11.442 440 HG21 THR 55 HG21 THR 55 36.218 23.011 -14.055 441 HG22 THR 55 HG22 THR 55 35.692 22.946 -12.356 442 HG23 THR 55 HG23 THR 55 37.407 23.194 -12.757 443 H SER 56 H SER 56 34.939 18.394 -12.075 444 HA SER 56 HA SER 56 35.517 16.223 -11.845 445 HB2 SER 56 HB2 SER 56 35.260 16.170 -14.863 446 HB3 SER 56 HB3 SER 56 35.208 14.765 -13.780 447 HG SER 56 HG SER 56 33.098 15.542 -14.319 448 H GLY 57 H GLY 57 37.785 17.974 -11.887 449 HA2 GLY 57 HA2 GLY 57 39.985 16.853 -13.368 450 HA3 GLY 57 HA3 GLY 57 40.098 17.960 -12.006 451 H GLY 58 H GLY 58 41.884 15.848 -12.512 452 HA2 GLY 58 HA2 GLY 58 41.383 13.552 -10.792 453 HA3 GLY 58 HA3 GLY 58 42.897 13.980 -11.575 454 H SER 59 H SER 59 43.122 12.931 -9.192 455 HA SER 59 HA SER 59 43.900 15.148 -7.335 456 HB2 SER 59 HB2 SER 59 42.567 12.519 -6.574 457 HB3 SER 59 HB3 SER 59 43.245 13.702 -5.438 458 HG SER 59 HG SER 59 40.965 13.961 -5.731 459 H GLY 60 H GLY 60 45.738 14.805 -6.074 460 HA2 GLY 60 HA2 GLY 60 47.849 13.252 -7.197 461 HA3 GLY 60 HA3 GLY 60 47.884 14.067 -5.633 462 H GLY 61 H GLY 61 48.862 11.373 -6.570 463 HA2 GLY 61 HA2 GLY 61 49.236 9.344 -5.548 464 HA3 GLY 61 HA3 GLY 61 48.167 9.818 -4.230 465 H SER 62 H SER 62 46.424 10.090 -7.122 466 HA SER 62 HA SER 62 44.838 7.712 -6.577 467 HB2 SER 62 HB2 SER 62 43.906 9.900 -7.355 468 HB3 SER 62 HB3 SER 62 44.657 9.613 -8.938 469 HG SER 62 HG SER 62 42.431 8.887 -8.790 470 H LYS 63 H LYS 63 44.363 6.021 -8.090 471 HA LYS 63 HA LYS 63 46.733 4.852 -9.313 472 HB2 LYS 63 HB2 LYS 63 44.952 3.623 -8.051 473 HB3 LYS 63 HB3 LYS 63 43.836 3.892 -9.379 474 HG2 LYS 63 HG2 LYS 63 46.479 2.367 -9.595 475 HG3 LYS 63 HG3 LYS 63 44.914 1.632 -9.254 476 HD2 LYS 63 HD2 LYS 63 44.079 2.576 -11.468 477 HD3 LYS 63 HD3 LYS 63 45.774 2.978 -11.838 478 HE2 LYS 63 HE2 LYS 63 46.401 0.592 -11.503 479 HE3 LYS 63 HE3 LYS 63 44.708 0.199 -11.172 480 HZ1 LYS 63 HZ1 LYS 63 45.769 1.279 -13.745 481 HZ2 LYS 63 HZ2 LYS 63 45.237 -0.245 -13.509 482 HZ3 LYS 63 HZ3 LYS 63 44.176 0.996 -13.449 483 H LEU 64 H LEU 64 47.482 5.440 -11.205 484 HA LEU 64 HA LEU 64 45.683 5.924 -13.538 485 HB2 LEU 64 HB2 LEU 64 48.095 7.576 -12.684 486 HB3 LEU 64 HB3 LEU 64 47.304 7.720 -14.248 487 HG LEU 64 HG LEU 64 45.935 8.294 -11.578 488 HD11 LEU 64 HD11 LEU 64 47.076 10.199 -13.663 489 HD12 LEU 64 HD12 LEU 64 46.157 10.658 -12.212 490 HD13 LEU 64 HD13 LEU 64 47.747 9.891 -12.043 491 HD21 LEU 64 HD21 LEU 64 44.319 7.692 -13.344 492 HD22 LEU 64 HD22 LEU 64 44.235 9.419 -12.995 493 HD23 LEU 64 HD23 LEU 64 45.078 8.856 -14.454 494 H GLY 65 H GLY 65 46.440 5.218 -15.509 495 HA2 GLY 65 HA2 GLY 65 47.618 3.904 -16.999 496 HA3 GLY 65 HA3 GLY 65 49.066 4.189 -16.040 497 H GLY 66 H GLY 66 49.606 1.972 -16.629 498 HA2 GLY 66 HA2 GLY 66 50.113 -0.130 -15.889 499 HA3 GLY 66 HA3 GLY 66 49.192 0.209 -14.424 500 H SER 67 H SER 67 47.340 0.438 -17.313 501 HA SER 67 HA SER 67 45.558 -0.661 -18.133 502 HB2 SER 67 HB2 SER 67 47.089 -3.192 -17.474 503 HB3 SER 67 HB3 SER 67 45.702 -3.062 -18.564 504 HG SER 67 HG SER 67 47.718 -2.969 -19.690 505 H GLY 68 H GLY 68 43.736 -2.259 -17.779 506 HA2 GLY 68 HA2 GLY 68 43.027 -3.484 -15.398 507 HA3 GLY 68 HA3 GLY 68 42.546 -1.802 -15.170 508 H GLY 69 H GLY 69 40.635 -3.667 -15.028 509 HA2 GLY 69 HA2 GLY 69 38.459 -4.010 -15.714 510 HA3 GLY 69 HA3 GLY 69 38.709 -2.856 -17.012 511 H SER 70 H SER 70 37.151 -4.535 -17.908 512 HA SER 70 HA SER 70 38.161 -7.088 -18.827 513 HB2 SER 70 HB2 SER 70 35.707 -5.506 -19.684 514 HB3 SER 70 HB3 SER 70 36.044 -7.205 -20.078 515 HG SER 70 HG SER 70 34.676 -6.996 -18.225 516 H ARG 71 H ARG 71 38.532 -7.786 -20.972 517 HA ARG 71 HA ARG 71 40.120 -5.993 -22.561 518 HB2 ARG 71 HB2 ARG 71 40.614 -8.380 -22.313 519 HB3 ARG 71 HB3 ARG 71 39.090 -8.816 -23.082 520 HG2 ARG 71 HG2 ARG 71 40.996 -9.130 -24.590 521 HG3 ARG 71 HG3 ARG 71 39.857 -7.955 -25.230 522 HD2 ARG 71 HD2 ARG 71 41.409 -6.116 -24.318 523 HD3 ARG 71 HD3 ARG 71 42.542 -7.396 -23.903 524 HE ARG 71 HE ARG 71 43.095 -7.649 -26.143 525 HH11 ARG 71 HH21 ARG 71 40.209 -5.616 -26.055 526 HH12 ARG 71 HH22 ARG 71 40.418 -5.130 -27.717 527 HH21 ARG 71 HH11 ARG 71 43.254 -7.007 -28.251 528 HH22 ARG 71 HH12 ARG 71 42.082 -5.918 -28.930 529 H LYS 72 H LYS 72 36.755 -6.765 -22.757 530 HA LYS 72 HA LYS 72 36.430 -5.014 -25.161 531 HB2 LYS 72 HB2 LYS 72 34.974 -7.643 -24.613 532 HB3 LYS 72 HB3 LYS 72 34.535 -6.484 -25.874 533 HG2 LYS 72 HG2 LYS 72 36.793 -6.770 -26.909 534 HG3 LYS 72 HG3 LYS 72 37.172 -8.010 -25.697 535 HD2 LYS 72 HD2 LYS 72 35.251 -9.373 -26.477 536 HD3 LYS 72 HD3 LYS 72 34.873 -8.138 -27.698 537 HE2 LYS 72 HE2 LYS 72 37.118 -8.462 -28.721 538 HE3 LYS 72 HE3 LYS 72 37.499 -9.690 -27.507 539 HZ1 LYS 72 HZ1 LYS 72 35.653 -11.036 -28.386 540 HZ2 LYS 72 HZ2 LYS 72 35.303 -9.900 -29.511 541 HZ3 LYS 72 HZ3 LYS 72 36.719 -10.705 -29.577 542 H ASP 73 H ASP 73 34.416 -3.931 -25.300 543 HA ASP 73 HA ASP 73 33.426 -2.939 -22.757 544 HB2 ASP 73 HB2 ASP 73 33.730 -1.502 -24.728 545 HB3 ASP 73 HB3 ASP 73 32.516 -2.431 -25.612 546 H LEU 74 H LEU 74 31.436 -3.219 -21.797 547 HA LEU 74 HA LEU 74 29.510 -5.204 -22.887 548 HB2 LEU 74 HB2 LEU 74 30.782 -5.245 -20.124 549 HB3 LEU 74 HB3 LEU 74 29.364 -6.187 -20.561 550 HG LEU 74 HG LEU 74 32.103 -6.510 -21.873 551 HD11 LEU 74 HD11 LEU 74 32.112 -7.172 -19.498 552 HD12 LEU 74 HD12 LEU 74 30.700 -8.212 -19.776 553 HD13 LEU 74 HD13 LEU 74 32.252 -8.578 -20.565 554 HD21 LEU 74 HD21 LEU 74 31.150 -8.636 -22.726 555 HD22 LEU 74 HD22 LEU 74 29.570 -8.216 -22.027 556 HD23 LEU 74 HD23 LEU 74 30.259 -7.250 -23.352 557 H SER 75 H SER 75 27.399 -5.031 -22.130 558 HA SER 75 HA SER 75 26.475 -2.381 -21.605 559 HB2 SER 75 HB2 SER 75 24.951 -5.004 -21.407 560 HB3 SER 75 HB3 SER 75 24.245 -3.382 -21.536 561 HG SER 75 HG SER 75 24.362 -4.451 -23.585 562 H VAL 76 H VAL 76 25.277 -1.534 -19.883 563 HA VAL 76 HA VAL 76 25.410 -2.863 -17.222 564 HB VAL 76 HB VAL 76 26.050 -0.738 -16.150 565 HG11 VAL 76 HG11 VAL 76 28.421 -0.836 -16.618 566 HG12 VAL 76 HG12 VAL 76 27.741 -2.472 -16.605 567 HG13 VAL 76 HG13 VAL 76 28.133 -1.683 -18.149 568 HG21 VAL 76 HG21 VAL 76 26.728 0.273 -18.942 569 HG22 VAL 76 HG22 VAL 76 25.394 0.866 -17.924 570 HG23 VAL 76 HG23 VAL 76 27.071 1.084 -17.404 571 H LYS 77 H LYS 77 24.037 -1.811 -15.594 572 HA LYS 77 HA LYS 77 21.672 -0.348 -16.628 573 HB2 LYS 77 HB2 LYS 77 20.092 -1.943 -15.688 574 HB3 LYS 77 HB3 LYS 77 21.102 -2.718 -16.906 575 HG2 LYS 77 HG2 LYS 77 22.490 -3.746 -15.109 576 HG3 LYS 77 HG3 LYS 77 21.473 -2.966 -13.883 577 HD2 LYS 77 HD2 LYS 77 19.493 -4.192 -14.739 578 HD3 LYS 77 HD3 LYS 77 20.511 -4.969 -15.972 579 HE2 LYS 77 HE2 LYS 77 21.915 -5.975 -14.178 580 HE3 LYS 77 HE3 LYS 77 20.902 -5.204 -12.950 581 HZ1 LYS 77 HZ1 LYS 77 19.015 -6.524 -13.775 582 HZ2 LYS 77 HZ2 LYS 77 19.950 -7.232 -14.915 583 HZ3 LYS 77 HZ3 LYS 77 20.234 -7.514 -13.334 584 H GLY 78 H GLY 78 20.230 0.432 -14.966 585 HA2 GLY 78 HA2 GLY 78 21.638 1.719 -12.775 586 HA3 GLY 78 HA3 GLY 78 19.925 1.847 -13.154 587 H MET 79 H MET 79 20.614 1.822 -10.569 588 HA MET 79 HA MET 79 20.679 -0.832 -9.408 589 HB2 MET 79 HB2 MET 79 20.844 0.249 -7.307 590 HB3 MET 79 HB3 MET 79 21.886 1.082 -8.450 591 HG2 MET 79 HG2 MET 79 19.136 2.054 -7.554 592 HG3 MET 79 HG3 MET 79 20.672 2.575 -6.876 593 HE1 MET 79 HE1 MET 79 20.188 5.099 -7.151 594 HE2 MET 79 HE2 MET 79 19.536 5.831 -8.640 595 HE3 MET 79 HE3 MET 79 18.565 4.657 -7.724 596 H LEU 80 H LEU 80 18.046 0.919 -10.567 597 HA LEU 80 HA LEU 80 16.191 -0.927 -9.240 598 HB2 LEU 80 HB2 LEU 80 14.650 0.637 -8.479 599 HB3 LEU 80 HB3 LEU 80 16.202 1.201 -7.890 600 HG LEU 80 HG LEU 80 14.617 2.362 -10.229 601 HD11 LEU 80 HD11 LEU 80 13.654 2.803 -8.002 602 HD12 LEU 80 HD12 LEU 80 15.212 3.452 -7.444 603 HD13 LEU 80 HD13 LEU 80 14.293 4.279 -8.724 604 HD21 LEU 80 HD21 LEU 80 16.241 4.279 -10.080 605 HD22 LEU 80 HD22 LEU 80 17.247 3.278 -9.012 606 HD23 LEU 80 HD23 LEU 80 16.958 2.795 -10.701 607 H TYR 81 H TYR 81 14.198 -1.273 -10.346 608 HA TYR 81 HA TYR 81 14.634 -1.394 -13.194 609 HB2 TYR 81 HB2 TYR 81 13.597 -3.185 -11.859 610 HB3 TYR 81 HB3 TYR 81 12.227 -2.145 -11.497 611 HD1 TYR 81 HD2 TYR 81 14.060 -3.822 -14.301 612 HD2 TYR 81 HD1 TYR 81 10.365 -2.013 -12.993 613 HE1 TYR 81 HE2 TYR 81 12.936 -4.616 -16.376 614 HE2 TYR 81 HE1 TYR 81 9.242 -2.808 -15.071 615 HH TYR 81 HH TYR 81 10.973 -4.699 -17.587 616 H ASP 82 H ASP 82 12.523 0.654 -11.184 617 HA ASP 82 HA ASP 82 11.815 2.308 -13.547 618 HB2 ASP 82 HB2 ASP 82 10.054 0.583 -13.305 619 HB3 ASP 82 HB3 ASP 82 9.798 1.073 -11.627 620 H SER 83 H SER 83 11.295 4.432 -13.112 621 HA SER 83 HA SER 83 11.221 5.479 -10.357 622 HB2 SER 83 HB2 SER 83 13.650 5.383 -11.003 623 HB3 SER 83 HB3 SER 83 13.281 6.479 -12.352 624 HG SER 83 HG SER 83 14.006 7.591 -10.439 625 H ASP 84 H ASP 84 10.583 7.782 -10.327 626 HA ASP 84 HA ASP 84 9.014 8.637 -12.722 627 HB2 ASP 84 HB2 ASP 84 7.534 7.253 -11.389 628 HB3 ASP 84 HB3 ASP 84 7.923 8.167 -9.933 629 H SER 85 H SER 85 9.152 10.718 -13.156 630 HA SER 85 HA SER 85 11.025 12.407 -11.952 631 HB2 SER 85 HB2 SER 85 9.872 14.185 -13.364 632 HB3 SER 85 HB3 SER 85 10.428 12.737 -14.220 633 HG SER 85 HG SER 85 8.280 13.320 -14.830 634 H GLN 86 H GLN 86 7.429 12.617 -11.619 635 HA GLN 86 HA GLN 86 7.704 14.857 -9.790 636 HB2 GLN 86 HB2 GLN 86 5.339 14.928 -9.614 637 HB3 GLN 86 HB3 GLN 86 5.874 14.839 -11.277 638 HG2 GLN 86 HG2 GLN 86 3.972 13.519 -11.234 639 HG3 GLN 86 HG3 GLN 86 5.272 12.348 -11.239 640 HE21 GLN 86 HE22 GLN 86 5.160 10.772 -9.639 641 HE22 GLN 86 HE21 GLN 86 4.048 10.852 -8.254 642 H GLN 87 H GLN 87 7.442 11.339 -9.295 643 HA GLN 87 HA GLN 87 6.992 11.502 -6.455 644 HB2 GLN 87 HB2 GLN 87 6.678 9.478 -7.872 645 HB3 GLN 87 HB3 GLN 87 8.434 9.350 -8.051 646 HG2 GLN 87 HG2 GLN 87 8.679 9.016 -5.616 647 HG3 GLN 87 HG3 GLN 87 6.943 9.252 -5.391 648 HE21 GLN 87 HE22 GLN 87 5.447 7.556 -6.236 649 HE22 GLN 87 HE21 GLN 87 6.094 5.954 -6.545 650 H ILE 88 H ILE 88 10.101 11.228 -8.334 651 HA ILE 88 HA ILE 88 11.780 11.470 -6.014 652 HB ILE 88 HB ILE 88 12.423 12.329 -8.861 653 HG12 ILE 88 HG12 ILE 88 11.912 9.997 -9.009 654 HG13 ILE 88 HG13 ILE 88 13.642 10.162 -9.049 655 HG21 ILE 88 HG21 ILE 88 14.244 11.689 -6.492 656 HG22 ILE 88 HG22 ILE 88 14.793 12.019 -8.146 657 HG23 ILE 88 HG23 ILE 88 13.997 13.288 -7.208 658 HD11 ILE 88 HD11 ILE 88 13.737 9.424 -6.655 659 HD12 ILE 88 HD12 ILE 88 11.960 9.228 -6.686 660 HD13 ILE 88 HD13 ILE 88 12.983 8.234 -7.727 661 H LEU 89 H LEU 89 10.526 14.031 -8.263 662 HA LEU 89 HA LEU 89 11.768 16.171 -6.874 663 HB2 LEU 89 HB2 LEU 89 10.861 16.431 -9.124 664 HB3 LEU 89 HB3 LEU 89 9.242 16.012 -8.571 665 HG LEU 89 HG LEU 89 9.055 18.108 -7.318 666 HD11 LEU 89 HD11 LEU 89 11.770 18.851 -8.486 667 HD12 LEU 89 HD12 LEU 89 10.699 19.904 -7.546 668 HD13 LEU 89 HD13 LEU 89 11.461 18.522 -6.759 669 HD21 LEU 89 HD21 LEU 89 9.998 18.542 -10.186 670 HD22 LEU 89 HD22 LEU 89 8.370 18.019 -9.690 671 HD23 LEU 89 HD23 LEU 89 8.953 19.623 -9.230 672 H ASN 90 H ASN 90 8.467 14.769 -6.307 673 HA ASN 90 HA ASN 90 7.792 16.594 -4.228 674 HB2 ASN 90 HB2 ASN 90 6.891 13.739 -4.806 675 HB3 ASN 90 HB3 ASN 90 6.196 14.728 -3.525 676 HD21 ASN 90 HD22 ASN 90 4.435 13.815 -5.318 677 HD22 ASN 90 HD21 ASN 90 3.941 15.102 -6.400 678 H ARG 91 H ARG 91 9.391 13.312 -3.913 679 HA ARG 91 HA ARG 91 9.625 13.638 -1.020 680 HB2 ARG 91 HB2 ARG 91 11.148 11.824 -2.951 681 HB3 ARG 91 HB3 ARG 91 11.246 11.743 -1.193 682 HG2 ARG 91 HG2 ARG 91 8.849 11.062 -2.934 683 HG3 ARG 91 HG3 ARG 91 9.783 10.007 -1.871 684 HD2 ARG 91 HD2 ARG 91 8.981 11.507 0.072 685 HD3 ARG 91 HD3 ARG 91 7.850 12.212 -1.109 686 HE ARG 91 HE ARG 91 7.721 9.302 -0.996 687 HH11 ARG 91 HH11 ARG 91 6.465 12.238 0.528 688 HH12 ARG 91 HH12 ARG 91 5.124 11.378 1.240 689 HH21 ARG 91 HH21 ARG 91 5.967 8.304 -0.062 690 HH22 ARG 91 HH22 ARG 91 4.834 9.219 0.897 691 H LEU 92 H LEU 92 11.789 14.560 -3.691 692 HA LEU 92 HA LEU 92 13.953 15.374 -1.992 693 HB2 LEU 92 HB2 LEU 92 14.098 14.863 -4.405 694 HB3 LEU 92 HB3 LEU 92 13.143 16.302 -4.767 695 HG LEU 92 HG LEU 92 14.970 17.732 -3.875 696 HD11 LEU 92 HD11 LEU 92 17.204 16.724 -3.456 697 HD12 LEU 92 HD12 LEU 92 16.035 16.249 -2.232 698 HD13 LEU 92 HD13 LEU 92 16.476 15.105 -3.525 699 HD21 LEU 92 HD21 LEU 92 15.821 15.637 -5.923 700 HD22 LEU 92 HD22 LEU 92 14.885 17.126 -6.250 701 HD23 LEU 92 HD23 LEU 92 16.569 17.219 -5.703 702 H ARG 93 H ARG 93 11.057 17.149 -3.194 703 HA ARG 93 HA ARG 93 11.833 19.670 -1.991 704 HB2 ARG 93 HB2 ARG 93 10.194 19.284 -3.910 705 HB3 ARG 93 HB3 ARG 93 9.010 18.738 -2.715 706 HG2 ARG 93 HG2 ARG 93 9.171 20.978 -1.588 707 HG3 ARG 93 HG3 ARG 93 10.405 21.456 -2.763 708 HD2 ARG 93 HD2 ARG 93 8.538 20.851 -4.551 709 HD3 ARG 93 HD3 ARG 93 7.444 20.995 -3.182 710 HE ARG 93 HE ARG 93 7.797 23.311 -3.115 711 HH11 ARG 93 HH12 ARG 93 10.072 21.974 -5.503 712 HH12 ARG 93 HH11 ARG 93 10.507 23.621 -5.994 713 HH21 ARG 93 HH22 ARG 93 8.514 25.313 -3.967 714 HH22 ARG 93 HH21 ARG 93 9.720 25.267 -5.257 715 H GLU 94 H GLU 94 9.724 16.990 -0.822 716 HA GLU 94 HA GLU 94 9.051 18.229 1.656 717 HB2 GLU 94 HB2 GLU 94 9.349 15.299 0.892 718 HB3 GLU 94 HB3 GLU 94 8.742 15.853 2.458 719 HG2 GLU 94 HG2 GLU 94 6.938 17.117 1.332 720 HG3 GLU 94 HG3 GLU 94 7.474 16.515 -0.231 721 H ARG 95 H ARG 95 11.831 15.958 0.990 722 HA ARG 95 HA ARG 95 12.832 16.253 3.672 723 HB2 ARG 95 HB2 ARG 95 14.721 14.979 2.991 724 HB3 ARG 95 HB3 ARG 95 13.285 14.319 2.212 725 HG2 ARG 95 HG2 ARG 95 13.946 15.748 0.175 726 HG3 ARG 95 HG3 ARG 95 15.508 15.990 0.951 727 HD2 ARG 95 HD2 ARG 95 14.312 13.240 0.383 728 HD3 ARG 95 HD3 ARG 95 15.313 14.119 -0.767 729 HE ARG 95 HE ARG 95 17.162 14.150 0.898 730 HH11 ARG 95 HH21 ARG 95 14.813 11.544 1.352 731 HH12 ARG 95 HH22 ARG 95 16.086 10.478 1.931 732 HH21 ARG 95 HH11 ARG 95 18.538 12.890 1.649 733 HH22 ARG 95 HH12 ARG 95 18.155 11.229 2.164 734 H VAL 96 H VAL 96 13.624 18.147 0.723 735 HA VAL 96 HA VAL 96 15.753 19.588 2.125 736 HB VAL 96 HB VAL 96 14.419 20.074 -0.553 737 HG11 VAL 96 HG11 VAL 96 16.770 21.544 0.725 738 HG12 VAL 96 HG12 VAL 96 16.316 21.641 -0.991 739 HG13 VAL 96 HG13 VAL 96 15.217 22.260 0.243 740 HG21 VAL 96 HG21 VAL 96 15.894 18.067 -0.371 741 HG22 VAL 96 HG22 VAL 96 16.652 19.309 -1.367 742 HG23 VAL 96 HG23 VAL 96 17.179 19.081 0.310 743 H SER 97 H SER 97 12.389 20.593 1.143 744 HA SER 97 HA SER 97 12.665 23.127 2.449 745 HB2 SER 97 HB2 SER 97 10.141 21.634 1.662 746 HB3 SER 97 HB3 SER 97 10.236 23.332 2.169 747 HG SER 97 HG SER 97 10.317 23.223 -0.097 748 H GLY 98 H GLY 98 11.315 19.982 3.607 749 HA2 GLY 98 HA2 GLY 98 10.317 20.912 6.105 750 HA3 GLY 98 HA3 GLY 98 10.799 19.260 5.710 751 H SER 99 H SER 99 13.635 20.481 5.108 752 HA SER 99 HA SER 99 14.689 20.303 7.855 753 HB2 SER 99 HB2 SER 99 16.115 20.589 5.186 754 HB3 SER 99 HB3 SER 99 16.900 20.387 6.758 755 HG SER 99 HG SER 99 15.334 18.532 5.306 756 H THR 100 H THR 100 13.393 22.873 6.167 757 HA THR 100 HA THR 100 14.948 24.813 7.818 758 HB THR 100 HB THR 100 15.998 24.837 5.638 759 HG1 THR 100 HG1 THR 100 15.945 26.803 6.647 760 HG21 THR 100 HG21 THR 100 14.876 25.680 3.634 761 HG22 THR 100 HG22 THR 100 14.171 24.145 4.149 762 HG23 THR 100 HG23 THR 100 13.307 25.669 4.463 763 H ALA 101 H ALA 101 11.898 24.177 6.056 764 HA ALA 101 HA ALA 101 10.565 26.565 6.830 765 HB1 ALA 101 HB1 ALA 101 8.527 25.320 6.211 766 HB2 ALA 101 HB2 ALA 101 9.815 25.095 5.013 767 HB3 ALA 101 HB3 ALA 101 9.455 23.803 6.182 768 H GLN 102 H GLN 102 9.590 27.215 8.672 769 HA GLN 102 HA GLN 102 10.131 25.696 11.097 770 HB2 GLN 102 HB2 GLN 102 8.748 28.373 10.675 771 HB3 GLN 102 HB3 GLN 102 9.257 27.718 12.230 772 HG2 GLN 102 HG2 GLN 102 11.111 28.460 9.920 773 HG3 GLN 102 HG3 GLN 102 10.849 29.391 11.386 774 HE21 GLN 102 HE21 GLN 102 12.744 26.809 9.977 775 HE22 GLN 102 HE22 GLN 102 13.546 26.362 11.475 776 H SER 103 H SER 103 7.339 25.916 9.066 777 HA SER 103 HA SER 103 5.424 25.096 11.133 778 HB2 SER 103 HB2 SER 103 5.087 25.287 8.122 779 HB3 SER 103 HB3 SER 103 3.799 25.115 9.324 780 HG SER 103 HG SER 103 4.080 27.308 8.682 781 H ALA 104 H ALA 104 7.753 23.338 9.499 782 HA ALA 104 HA ALA 104 6.263 20.965 8.757 783 HB1 ALA 104 HB1 ALA 104 8.335 21.641 7.616 784 HB2 ALA 104 HB2 ALA 104 9.251 21.419 9.126 785 HB3 ALA 104 HB3 ALA 104 8.491 20.026 8.332 Start of MODEL 17 1 H1 SER 1 H1 SER 1 -7.085 8.280 -15.387 2 H2 SER 1 H2 SER 1 -5.488 8.230 -15.014 3 H3 SER 1 H3 SER 1 -6.108 7.186 -16.113 4 HA SER 1 HA SER 1 -6.756 7.264 -13.236 5 HB2 SER 1 HB2 SER 1 -7.753 5.292 -15.334 6 HB3 SER 1 HB3 SER 1 -8.113 5.258 -13.598 7 HG SER 1 HG SER 1 -9.773 6.301 -14.808 8 H VAL 2 H VAL 2 -5.992 5.453 -11.977 9 HA VAL 2 HA VAL 2 -3.335 4.503 -12.774 10 HB VAL 2 HB VAL 2 -3.269 3.401 -10.586 11 HG11 VAL 2 HG11 VAL 2 -4.186 6.301 -10.423 12 HG12 VAL 2 HG12 VAL 2 -3.204 5.423 -9.231 13 HG13 VAL 2 HG13 VAL 2 -2.552 5.744 -10.846 14 HG21 VAL 2 HG21 VAL 2 -6.034 4.586 -10.060 15 HG22 VAL 2 HG22 VAL 2 -5.676 2.856 -10.278 16 HG23 VAL 2 HG23 VAL 2 -4.992 3.737 -8.907 17 H SER 3 H SER 3 -2.644 2.284 -12.734 18 HA SER 3 HA SER 3 -4.651 0.165 -13.171 19 HB2 SER 3 HB2 SER 3 -4.180 1.251 -15.412 20 HB3 SER 3 HB3 SER 3 -2.500 0.703 -15.251 21 HG SER 3 HG SER 3 -3.863 -0.788 -16.427 22 H ILE 4 H ILE 4 -3.592 -1.988 -13.362 23 HA ILE 4 HA ILE 4 -1.652 -2.285 -11.184 24 HB ILE 4 HB ILE 4 -3.233 -4.269 -12.856 25 HG12 ILE 4 HG12 ILE 4 -4.205 -4.899 -10.645 26 HG13 ILE 4 HG13 ILE 4 -3.297 -3.606 -9.871 27 HG21 ILE 4 HG21 ILE 4 -2.358 -6.054 -11.363 28 HG22 ILE 4 HG22 ILE 4 -1.096 -5.370 -12.371 29 HG23 ILE 4 HG23 ILE 4 -1.211 -4.896 -10.656 30 HD11 ILE 4 HD11 ILE 4 -4.667 -1.922 -10.962 31 HD12 ILE 4 HD12 ILE 4 -5.398 -3.149 -12.033 32 HD13 ILE 4 HD13 ILE 4 -5.740 -3.151 -10.294 33 H LEU 5 H LEU 5 0.445 -2.844 -11.317 34 HA LEU 5 HA LEU 5 1.656 -3.755 -13.822 35 HB2 LEU 5 HB2 LEU 5 3.290 -2.080 -14.015 36 HB3 LEU 5 HB3 LEU 5 1.735 -1.309 -13.950 37 HG LEU 5 HG LEU 5 3.212 0.090 -12.848 38 HD11 LEU 5 HD11 LEU 5 1.863 -1.324 -10.526 39 HD12 LEU 5 HD12 LEU 5 2.414 0.358 -10.601 40 HD13 LEU 5 HD13 LEU 5 1.071 -0.164 -11.627 41 HD21 LEU 5 HD21 LEU 5 4.173 -2.079 -10.967 42 HD22 LEU 5 HD22 LEU 5 5.035 -1.549 -12.428 43 HD23 LEU 5 HD23 LEU 5 4.742 -0.416 -11.103 44 H ARG 6 H ARG 6 3.872 -4.540 -13.574 45 HA ARG 6 HA ARG 6 3.947 -6.303 -11.270 46 HB2 ARG 6 HB2 ARG 6 4.459 -7.024 -13.577 47 HB3 ARG 6 HB3 ARG 6 5.905 -6.000 -13.583 48 HG2 ARG 6 HG2 ARG 6 6.883 -7.343 -11.749 49 HG3 ARG 6 HG3 ARG 6 5.402 -8.318 -11.653 50 HD2 ARG 6 HD2 ARG 6 5.766 -9.103 -13.967 51 HD3 ARG 6 HD3 ARG 6 7.232 -8.102 -14.080 52 HE ARG 6 HE ARG 6 7.523 -9.762 -11.805 53 HH11 ARG 6 HH11 ARG 6 7.378 -10.226 -15.279 54 HH12 ARG 6 HH12 ARG 6 8.344 -11.675 -15.218 55 HH21 ARG 6 HH21 ARG 6 8.738 -11.622 -11.796 56 HH22 ARG 6 HH22 ARG 6 9.085 -12.444 -13.288 57 H SER 7 H SER 7 5.177 -6.321 -9.550 58 HA SER 7 HA SER 7 6.504 -5.738 -7.848 59 HB2 SER 7 HB2 SER 7 8.403 -4.654 -9.944 60 HB3 SER 7 HB3 SER 7 8.795 -5.011 -8.258 61 HG SER 7 HG SER 7 9.349 -6.764 -9.637 62 H SER 8 H SER 8 7.524 -4.067 -6.522 63 HA SER 8 HA SER 8 6.791 -1.261 -7.022 64 HB2 SER 8 HB2 SER 8 5.495 -1.073 -4.940 65 HB3 SER 8 HB3 SER 8 4.726 -2.189 -6.079 66 HG SER 8 HG SER 8 4.770 -3.045 -3.943 67 H VAL 9 H VAL 9 7.554 0.173 -5.241 68 HA VAL 9 HA VAL 9 9.794 -0.920 -3.615 69 HB VAL 9 HB VAL 9 11.171 1.056 -4.075 70 HG11 VAL 9 HG11 VAL 9 11.562 -1.062 -5.282 71 HG12 VAL 9 HG12 VAL 9 10.525 -0.495 -6.609 72 HG13 VAL 9 HG13 VAL 9 12.035 0.362 -6.227 73 HG21 VAL 9 HG21 VAL 9 9.234 1.679 -6.341 74 HG22 VAL 9 HG22 VAL 9 9.476 2.656 -4.875 75 HG23 VAL 9 HG23 VAL 9 10.793 2.470 -6.035 76 H ASN 10 H ASN 10 10.292 0.172 -1.728 77 HA ASN 10 HA ASN 10 8.054 1.680 -0.528 78 HB2 ASN 10 HB2 ASN 10 9.235 -0.225 0.632 79 HB3 ASN 10 HB3 ASN 10 10.709 0.744 0.675 80 HD21 ASN 10 HD22 ASN 10 7.284 0.691 1.768 81 HD22 ASN 10 HD21 ASN 10 7.565 1.737 3.147 82 H HIS 11 H HIS 11 8.362 3.758 0.590 83 HA HIS 11 HA HIS 11 9.726 5.717 -0.949 84 HB2 HIS 11 HB2 HIS 11 9.148 7.279 0.810 85 HB3 HIS 11 HB3 HIS 11 7.793 6.216 0.456 86 HD2 HIS 11 HD2 HIS 11 6.724 4.958 2.483 87 HE1 HIS 11 HE1 HIS 11 9.634 5.883 5.463 88 HE2 HIS 11 HE2 HIS 11 7.337 4.858 5.041 89 H ARG 12 H ARG 12 10.958 3.838 1.808 90 HA ARG 12 HA ARG 12 13.392 5.276 2.251 91 HB2 ARG 12 HB2 ARG 12 12.766 2.294 2.437 92 HB3 ARG 12 HB3 ARG 12 14.242 3.043 3.048 93 HG2 ARG 12 HG2 ARG 12 13.009 4.370 4.665 94 HG3 ARG 12 HG3 ARG 12 11.457 3.856 3.995 95 HD2 ARG 12 HD2 ARG 12 12.048 1.466 4.563 96 HD3 ARG 12 HD3 ARG 12 13.519 2.063 5.331 97 HE ARG 12 HE ARG 12 12.303 2.787 7.154 98 HH11 ARG 12 HH21 ARG 12 9.938 2.137 4.620 99 HH12 ARG 12 HH22 ARG 12 8.627 2.058 5.775 100 HH21 ARG 12 HH11 ARG 12 10.563 2.773 8.517 101 HH22 ARG 12 HH12 ARG 12 8.966 2.490 7.903 102 H GLU 13 H GLU 13 12.568 2.920 -0.281 103 HA GLU 13 HA GLU 13 15.314 2.670 -1.254 104 HB2 GLU 13 HB2 GLU 13 12.654 1.924 -2.528 105 HB3 GLU 13 HB3 GLU 13 14.242 1.507 -3.168 106 HG2 GLU 13 HG2 GLU 13 14.747 0.188 -1.155 107 HG3 GLU 13 HG3 GLU 13 13.213 0.649 -0.424 108 H VAL 14 H VAL 14 12.457 4.657 -2.122 109 HA VAL 14 HA VAL 14 13.700 6.024 -4.351 110 HB VAL 14 HB VAL 14 11.513 7.055 -2.495 111 HG11 VAL 14 HG11 VAL 14 12.527 8.810 -3.972 112 HG12 VAL 14 HG12 VAL 14 12.169 7.785 -5.383 113 HG13 VAL 14 HG13 VAL 14 10.851 8.450 -4.391 114 HG21 VAL 14 HG21 VAL 14 9.930 6.230 -4.233 115 HG22 VAL 14 HG22 VAL 14 11.284 5.458 -5.086 116 HG23 VAL 14 HG23 VAL 14 10.803 4.900 -3.474 117 H ASP 15 H ASP 15 13.552 6.729 -0.827 118 HA ASP 15 HA ASP 15 15.032 9.176 -0.917 119 HB2 ASP 15 HB2 ASP 15 13.609 8.307 0.975 120 HB3 ASP 15 HB3 ASP 15 14.890 7.149 1.349 121 H GLU 16 H GLU 16 16.150 5.781 -0.381 122 HA GLU 16 HA GLU 16 18.936 6.339 -0.197 123 HB2 GLU 16 HB2 GLU 16 17.971 4.204 0.457 124 HB3 GLU 16 HB3 GLU 16 17.413 3.893 -1.191 125 HG2 GLU 16 HG2 GLU 16 19.711 3.739 -2.007 126 HG3 GLU 16 HG3 GLU 16 20.340 4.213 -0.423 127 H ALA 17 H ALA 17 16.904 5.717 -3.130 128 HA ALA 17 HA ALA 17 19.089 5.801 -4.955 129 HB1 ALA 17 HB1 ALA 17 17.331 6.185 -6.662 130 HB2 ALA 17 HB2 ALA 17 16.880 4.888 -5.537 131 HB3 ALA 17 HB3 ALA 17 16.146 6.498 -5.382 132 H ILE 18 H ILE 18 16.918 8.425 -3.753 133 HA ILE 18 HA ILE 18 18.155 10.583 -5.171 134 HB ILE 18 HB ILE 18 16.485 10.299 -2.665 135 HG12 ILE 18 HG12 ILE 18 16.024 11.869 -5.236 136 HG13 ILE 18 HG13 ILE 18 15.616 10.162 -5.070 137 HG21 ILE 18 HG21 ILE 18 17.660 12.948 -3.600 138 HG22 ILE 18 HG22 ILE 18 16.351 12.772 -2.418 139 HG23 ILE 18 HG23 ILE 18 17.949 12.153 -2.040 140 HD11 ILE 18 HD11 ILE 18 14.398 12.425 -3.441 141 HD12 ILE 18 HD12 ILE 18 13.627 11.478 -4.716 142 HD13 ILE 18 HD13 ILE 18 14.089 10.689 -3.196 143 H ASP 19 H ASP 19 18.958 9.214 -1.928 144 HA ASP 19 HA ASP 19 21.123 10.971 -1.396 145 HB2 ASP 19 HB2 ASP 19 19.806 9.180 0.062 146 HB3 ASP 19 HB3 ASP 19 21.094 8.100 -0.440 147 H ASN 20 H ASN 20 21.083 7.813 -3.113 148 HA ASN 20 HA ASN 20 23.894 7.657 -3.581 149 HB2 ASN 20 HB2 ASN 20 22.321 5.749 -3.774 150 HB3 ASN 20 HB3 ASN 20 21.549 6.509 -5.168 151 HD21 ASN 20 HD22 ASN 20 24.624 5.067 -4.011 152 HD22 ASN 20 HD21 ASN 20 25.212 4.719 -5.627 153 H ILE 21 H ILE 21 21.289 9.197 -5.561 154 HA ILE 21 HA ILE 21 23.083 10.062 -7.667 155 HB ILE 21 HB ILE 21 20.242 10.656 -6.873 156 HG12 ILE 21 HG12 ILE 21 19.906 10.292 -9.325 157 HG13 ILE 21 HG13 ILE 21 21.638 10.052 -9.525 158 HG21 ILE 21 HG21 ILE 21 21.026 12.952 -7.203 159 HG22 ILE 21 HG22 ILE 21 21.843 12.484 -8.714 160 HG23 ILE 21 HG23 ILE 21 20.068 12.458 -8.584 161 HD11 ILE 21 HD11 ILE 21 19.718 8.296 -7.940 162 HD12 ILE 21 HD12 ILE 21 20.445 7.920 -9.509 163 HD13 ILE 21 HD13 ILE 21 21.473 8.012 -8.069 164 H LEU 22 H LEU 22 21.931 11.665 -4.671 165 HA LEU 22 HA LEU 22 23.219 14.142 -5.014 166 HB2 LEU 22 HB2 LEU 22 21.509 13.606 -3.329 167 HB3 LEU 22 HB3 LEU 22 22.595 12.469 -2.538 168 HG LEU 22 HG LEU 22 24.100 14.328 -1.892 169 HD11 LEU 22 HD11 LEU 22 23.506 15.975 -3.655 170 HD12 LEU 22 HD12 LEU 22 21.849 16.081 -3.015 171 HD13 LEU 22 HD13 LEU 22 23.233 16.628 -2.041 172 HD21 LEU 22 HD21 LEU 22 21.180 14.641 -1.065 173 HD22 LEU 22 HD22 LEU 22 22.354 13.502 -0.361 174 HD23 LEU 22 HD23 LEU 22 22.597 15.247 -0.169 175 H ARG 23 H ARG 23 24.537 11.144 -3.507 176 HA ARG 23 HA ARG 23 27.201 12.218 -3.084 177 HB2 ARG 23 HB2 ARG 23 26.129 9.371 -3.248 178 HB3 ARG 23 HB3 ARG 23 27.801 9.781 -2.812 179 HG2 ARG 23 HG2 ARG 23 27.055 11.033 -0.849 180 HG3 ARG 23 HG3 ARG 23 25.363 10.784 -1.291 181 HD2 ARG 23 HD2 ARG 23 25.871 8.254 -1.197 182 HD3 ARG 23 HD3 ARG 23 27.365 8.695 -0.360 183 HE ARG 23 HE ARG 23 24.540 9.091 0.562 184 HH11 ARG 23 HH11 ARG 23 27.910 9.365 1.548 185 HH12 ARG 23 HH12 ARG 23 27.445 9.645 3.205 186 HH21 ARG 23 HH21 ARG 23 24.055 9.425 2.476 187 HH22 ARG 23 HH22 ARG 23 25.240 9.663 3.767 188 H TYR 24 H TYR 24 25.866 10.137 -5.722 189 HA TYR 24 HA TYR 24 28.287 9.756 -7.111 190 HB2 TYR 24 HB2 TYR 24 26.286 8.443 -7.511 191 HB3 TYR 24 HB3 TYR 24 25.403 9.865 -8.050 192 HD1 TYR 24 HD2 TYR 24 28.418 7.787 -8.900 193 HD2 TYR 24 HD1 TYR 24 25.270 10.360 -10.341 194 HE1 TYR 24 HE2 TYR 24 29.108 7.316 -11.253 195 HE2 TYR 24 HE1 TYR 24 25.956 9.885 -12.692 196 HH TYR 24 HH TYR 24 27.415 8.748 -14.071 197 H THR 25 H THR 25 25.910 12.444 -7.483 198 HA THR 25 HA THR 25 27.525 13.682 -9.601 199 HB THR 25 HB THR 25 25.934 15.455 -9.618 200 HG1 THR 25 HG1 THR 25 24.513 14.203 -7.517 201 HG21 THR 25 HG21 THR 25 25.254 13.355 -10.769 202 HG22 THR 25 HG22 THR 25 24.398 12.843 -9.312 203 HG23 THR 25 HG23 THR 25 23.878 14.304 -10.165 204 H ASN 26 H ASN 26 28.018 13.570 -6.295 205 HA ASN 26 HA ASN 26 29.122 14.777 -4.780 206 HB2 ASN 26 HB2 ASN 26 30.925 14.240 -6.418 207 HB3 ASN 26 HB3 ASN 26 30.701 15.833 -7.155 208 HD21 ASN 26 HD22 ASN 26 33.091 15.936 -6.553 209 HD22 ASN 26 HD21 ASN 26 33.465 16.497 -4.932 210 H SER 27 H SER 27 26.831 15.774 -4.886 211 HA SER 27 HA SER 27 27.030 18.764 -5.185 212 HB2 SER 27 HB2 SER 27 24.595 17.033 -5.704 213 HB3 SER 27 HB3 SER 27 24.746 18.776 -5.956 214 HG SER 27 HG SER 27 25.563 16.688 -7.517 215 H THR 28 H THR 28 25.441 20.029 -3.947 216 HA THR 28 HA THR 28 24.900 18.901 -1.244 217 HB THR 28 HB THR 28 24.364 21.086 -0.516 218 HG1 THR 28 HG1 THR 28 24.352 22.834 -2.011 219 HG21 THR 28 HG21 THR 28 26.358 22.375 -0.940 220 HG22 THR 28 HG22 THR 28 26.813 20.666 -0.823 221 HG23 THR 28 HG23 THR 28 26.717 21.452 -2.415 222 H GLU 29 H GLU 29 22.743 19.075 -0.261 223 HA GLU 29 HA GLU 29 20.663 18.179 -2.030 224 HB2 GLU 29 HB2 GLU 29 19.285 18.096 -0.107 225 HB3 GLU 29 HB3 GLU 29 20.897 17.591 0.365 226 HG2 GLU 29 HG2 GLU 29 21.294 19.914 1.289 227 HG3 GLU 29 HG3 GLU 29 19.617 20.302 0.922 228 H GLN 30 H GLN 30 21.504 21.422 -0.882 229 HA GLN 30 HA GLN 30 19.143 22.749 -1.903 230 HB2 GLN 30 HB2 GLN 30 21.950 23.774 -1.300 231 HB3 GLN 30 HB3 GLN 30 20.583 24.795 -1.767 232 HG2 GLN 30 HG2 GLN 30 19.300 23.993 0.215 233 HG3 GLN 30 HG3 GLN 30 20.682 23.022 0.715 234 HE21 GLN 30 HE22 GLN 30 19.963 24.621 2.665 235 HE22 GLN 30 HE21 GLN 30 20.966 26.065 2.744 236 H GLN 31 H GLN 31 22.377 22.009 -3.367 237 HA GLN 31 HA GLN 31 21.829 23.239 -5.916 238 HB2 GLN 31 HB2 GLN 31 23.631 20.957 -5.044 239 HB3 GLN 31 HB3 GLN 31 23.556 21.513 -6.714 240 HG2 GLN 31 HG2 GLN 31 24.380 23.674 -6.186 241 HG3 GLN 31 HG3 GLN 31 24.183 23.443 -4.457 242 HE21 GLN 31 HE22 GLN 31 26.635 24.294 -5.036 243 HE22 GLN 31 HE21 GLN 31 27.791 22.974 -5.027 244 H PHE 32 H PHE 32 21.105 19.912 -4.671 245 HA PHE 32 HA PHE 32 20.047 19.020 -7.199 246 HB2 PHE 32 HB2 PHE 32 20.911 17.629 -5.274 247 HB3 PHE 32 HB3 PHE 32 19.409 17.950 -4.430 248 HD1 PHE 32 HD2 PHE 32 18.548 17.481 -7.915 249 HD2 PHE 32 HD1 PHE 32 19.883 15.329 -4.415 250 HE1 PHE 32 HE2 PHE 32 17.606 15.405 -8.829 251 HE2 PHE 32 HE1 PHE 32 18.986 13.236 -5.384 252 HZ PHE 32 HZ PHE 32 17.803 13.272 -7.568 253 H LEU 33 H LEU 33 18.417 20.476 -4.322 254 HA LEU 33 HA LEU 33 15.783 20.488 -5.430 255 HB2 LEU 33 HB2 LEU 33 16.424 20.865 -3.077 256 HB3 LEU 33 HB3 LEU 33 17.116 22.422 -3.495 257 HG LEU 33 HG LEU 33 14.930 22.500 -2.353 258 HD11 LEU 33 HD11 LEU 33 13.914 24.238 -3.598 259 HD12 LEU 33 HD12 LEU 33 15.665 24.373 -3.856 260 HD13 LEU 33 HD13 LEU 33 14.617 23.693 -5.125 261 HD21 LEU 33 HD21 LEU 33 12.856 21.957 -3.480 262 HD22 LEU 33 HD22 LEU 33 13.728 21.379 -4.914 263 HD23 LEU 33 HD23 LEU 33 13.879 20.512 -3.363 264 H GLU 34 H GLU 34 18.346 22.983 -5.694 265 HA GLU 34 HA GLU 34 16.837 24.724 -7.366 266 HB2 GLU 34 HB2 GLU 34 18.871 25.346 -6.100 267 HB3 GLU 34 HB3 GLU 34 19.858 24.360 -7.192 268 HG2 GLU 34 HG2 GLU 34 19.235 25.804 -9.090 269 HG3 GLU 34 HG3 GLU 34 18.138 26.724 -8.059 270 H ALA 35 H ALA 35 19.019 22.035 -8.286 271 HA ALA 35 HA ALA 35 18.781 22.428 -11.115 272 HB1 ALA 35 HB1 ALA 35 19.698 20.135 -11.242 273 HB2 ALA 35 HB2 ALA 35 20.574 21.118 -10.054 274 HB3 ALA 35 HB3 ALA 35 19.396 19.897 -9.508 275 H MET 36 H MET 36 16.819 20.393 -8.848 276 HA MET 36 HA MET 36 15.078 19.366 -10.933 277 HB2 MET 36 HB2 MET 36 14.787 19.633 -7.911 278 HB3 MET 36 HB3 MET 36 13.569 18.870 -8.934 279 HG2 MET 36 HG2 MET 36 16.474 17.989 -8.899 280 HG3 MET 36 HG3 MET 36 15.262 17.303 -7.837 281 HE1 MET 36 HE1 MET 36 13.080 15.089 -10.045 282 HE2 MET 36 HE2 MET 36 13.621 15.536 -8.405 283 HE3 MET 36 HE3 MET 36 12.679 16.681 -9.375 284 H GLU 37 H GLU 37 14.811 22.257 -8.796 285 HA GLU 37 HA GLU 37 12.267 23.089 -9.811 286 HB2 GLU 37 HB2 GLU 37 13.531 23.875 -7.710 287 HB3 GLU 37 HB3 GLU 37 14.514 24.865 -8.786 288 HG2 GLU 37 HG2 GLU 37 12.933 26.357 -8.013 289 HG3 GLU 37 HG3 GLU 37 12.252 25.903 -9.569 290 H SER 38 H SER 38 15.603 23.795 -10.937 291 HA SER 38 HA SER 38 14.809 25.635 -13.013 292 HB2 SER 38 HB2 SER 38 17.363 23.997 -12.739 293 HB3 SER 38 HB3 SER 38 17.118 25.402 -13.801 294 HG SER 38 HG SER 38 17.156 25.302 -10.965 295 H THR 39 H THR 39 14.935 22.122 -12.943 296 HA THR 39 HA THR 39 14.744 21.980 -15.927 297 HB THR 39 HB THR 39 15.305 19.598 -15.668 298 HG1 THR 39 HG1 THR 39 15.955 20.181 -12.998 299 HG21 THR 39 HG21 THR 39 17.269 21.508 -14.325 300 HG22 THR 39 HG22 THR 39 17.657 19.891 -14.937 301 HG23 THR 39 HG23 THR 39 17.134 21.168 -16.055 302 H GLY 40 H GLY 40 12.548 22.158 -13.462 303 HA2 GLY 40 HA2 GLY 40 10.277 21.747 -13.455 304 HA3 GLY 40 HA3 GLY 40 10.389 21.109 -15.098 305 H GLY 41 H GLY 41 12.312 19.846 -12.402 306 HA2 GLY 41 HA2 GLY 41 12.185 17.920 -11.165 307 HA3 GLY 41 HA3 GLY 41 10.540 17.646 -11.740 308 H ARG 42 H ARG 42 12.864 17.918 -14.346 309 HA ARG 42 HA ARG 42 12.598 15.010 -14.928 310 HB2 ARG 42 HB2 ARG 42 13.750 17.380 -16.420 311 HB3 ARG 42 HB3 ARG 42 14.190 15.721 -16.825 312 HG2 ARG 42 HG2 ARG 42 11.558 15.298 -16.791 313 HG3 ARG 42 HG3 ARG 42 11.484 17.049 -17.042 314 HD2 ARG 42 HD2 ARG 42 12.850 16.812 -19.086 315 HD3 ARG 42 HD3 ARG 42 13.194 15.126 -18.672 316 HE ARG 42 HE ARG 42 11.196 14.454 -19.577 317 HH11 ARG 42 HH22 ARG 42 10.872 17.946 -19.242 318 HH12 ARG 42 HH21 ARG 42 9.372 17.949 -20.123 319 HH21 ARG 42 HH11 ARG 42 9.354 14.532 -20.634 320 HH22 ARG 42 HH12 ARG 42 8.509 16.041 -20.887 321 H VAL 43 H VAL 43 13.671 13.837 -13.443 322 HA VAL 43 HA VAL 43 16.068 14.587 -12.166 323 HB VAL 43 HB VAL 43 14.645 12.904 -11.258 324 HG11 VAL 43 HG11 VAL 43 14.586 10.588 -12.060 325 HG12 VAL 43 HG12 VAL 43 13.894 11.688 -13.253 326 HG13 VAL 43 HG13 VAL 43 15.537 11.027 -13.486 327 HG21 VAL 43 HG21 VAL 43 16.317 11.299 -10.486 328 HG22 VAL 43 HG22 VAL 43 17.391 11.701 -11.825 329 HG23 VAL 43 HG23 VAL 43 17.026 12.920 -10.581 330 H ARG 44 H ARG 44 15.778 12.922 -15.335 331 HA ARG 44 HA ARG 44 18.568 12.355 -15.614 332 HB2 ARG 44 HB2 ARG 44 18.124 11.989 -17.929 333 HB3 ARG 44 HB3 ARG 44 16.836 11.311 -16.949 334 HG2 ARG 44 HG2 ARG 44 15.432 13.395 -17.529 335 HG3 ARG 44 HG3 ARG 44 16.690 13.807 -18.700 336 HD2 ARG 44 HD2 ARG 44 15.210 11.159 -18.635 337 HD3 ARG 44 HD3 ARG 44 14.702 12.545 -19.617 338 HE ARG 44 HE ARG 44 17.311 12.172 -20.399 339 HH11 ARG 44 HH22 ARG 44 14.562 9.941 -20.274 340 HH12 ARG 44 HH21 ARG 44 15.037 9.207 -21.801 341 HH21 ARG 44 HH12 ARG 44 17.914 10.973 -22.203 342 HH22 ARG 44 HH11 ARG 44 16.897 9.663 -22.740 343 H ILE 45 H ILE 45 16.781 15.326 -16.410 344 HA ILE 45 HA ILE 45 19.160 16.621 -17.561 345 HB ILE 45 HB ILE 45 16.532 17.927 -16.777 346 HG12 ILE 45 HG12 ILE 45 17.380 16.683 -19.437 347 HG13 ILE 45 HG13 ILE 45 16.084 16.113 -18.391 348 HG21 ILE 45 HG21 ILE 45 17.246 19.713 -18.301 349 HG22 ILE 45 HG22 ILE 45 18.552 19.453 -17.164 350 HG23 ILE 45 HG23 ILE 45 18.677 18.785 -18.796 351 HD11 ILE 45 HD11 ILE 45 14.878 18.292 -18.752 352 HD12 ILE 45 HD12 ILE 45 16.096 18.690 -19.991 353 HD13 ILE 45 HD13 ILE 45 15.068 17.270 -20.197 354 H ALA 46 H ALA 46 17.450 16.578 -14.418 355 HA ALA 46 HA ALA 46 19.025 18.593 -13.168 356 HB1 ALA 46 HB1 ALA 46 18.152 17.677 -11.086 357 HB2 ALA 46 HB2 ALA 46 16.863 17.719 -12.303 358 HB3 ALA 46 HB3 ALA 46 17.660 16.179 -11.892 359 H ILE 47 H ILE 47 19.561 14.965 -13.225 360 HA ILE 47 HA ILE 47 22.088 15.264 -11.869 361 HB ILE 47 HB ILE 47 22.597 13.008 -12.369 362 HG12 ILE 47 HG12 ILE 47 20.189 12.962 -14.216 363 HG13 ILE 47 HG13 ILE 47 21.876 12.800 -14.690 364 HG21 ILE 47 HG21 ILE 47 19.648 13.201 -11.653 365 HG22 ILE 47 HG22 ILE 47 20.827 12.000 -11.102 366 HG23 ILE 47 HG23 ILE 47 20.963 13.684 -10.574 367 HD11 ILE 47 HD11 ILE 47 22.010 10.678 -13.355 368 HD12 ILE 47 HD12 ILE 47 20.261 10.802 -13.047 369 HD13 ILE 47 HD13 ILE 47 20.862 10.619 -14.704 370 H ALA 48 H ALA 48 21.314 15.259 -15.405 371 HA ALA 48 HA ALA 48 23.986 15.489 -16.309 372 HB1 ALA 48 HB1 ALA 48 22.929 16.616 -18.256 373 HB2 ALA 48 HB2 ALA 48 22.014 15.180 -17.751 374 HB3 ALA 48 HB3 ALA 48 21.423 16.796 -17.325 375 H LYS 49 H LYS 49 21.792 18.107 -15.141 376 HA LYS 49 HA LYS 49 23.661 20.269 -15.432 377 HB2 LYS 49 HB2 LYS 49 21.116 20.347 -15.180 378 HB3 LYS 49 HB3 LYS 49 21.345 20.021 -13.464 379 HG2 LYS 49 HG2 LYS 49 21.071 22.349 -13.656 380 HG3 LYS 49 HG3 LYS 49 22.806 22.129 -13.377 381 HD2 LYS 49 HD2 LYS 49 23.211 22.406 -15.843 382 HD3 LYS 49 HD3 LYS 49 21.458 22.602 -16.082 383 HE2 LYS 49 HE2 LYS 49 21.516 24.535 -14.484 384 HE3 LYS 49 HE3 LYS 49 23.283 24.360 -14.396 385 HZ1 LYS 49 HZ1 LYS 49 21.759 24.978 -16.890 386 HZ2 LYS 49 HZ2 LYS 49 22.606 26.069 -16.017 387 HZ3 LYS 49 HZ3 LYS 49 23.396 24.867 -16.787 388 H LEU 50 H LEU 50 22.909 18.185 -12.588 389 HA LEU 50 HA LEU 50 24.808 19.429 -10.838 390 HB2 LEU 50 HB2 LEU 50 23.584 16.639 -10.866 391 HB3 LEU 50 HB3 LEU 50 24.598 17.247 -9.570 392 HG LEU 50 HG LEU 50 21.888 18.385 -10.321 393 HD11 LEU 50 HD11 LEU 50 21.204 17.387 -8.188 394 HD12 LEU 50 HD12 LEU 50 21.855 16.141 -9.250 395 HD13 LEU 50 HD13 LEU 50 22.842 16.771 -7.915 396 HD21 LEU 50 HD21 LEU 50 23.230 20.196 -9.450 397 HD22 LEU 50 HD22 LEU 50 22.120 19.642 -8.197 398 HD23 LEU 50 HD23 LEU 50 23.829 19.168 -8.123 399 H LEU 51 H LEU 51 25.252 16.724 -13.166 400 HA LEU 51 HA LEU 51 28.001 16.243 -12.362 401 HB2 LEU 51 HB2 LEU 51 26.399 15.615 -14.877 402 HB3 LEU 51 HB3 LEU 51 28.077 15.122 -14.677 403 HG LEU 51 HG LEU 51 25.913 14.307 -12.709 404 HD11 LEU 51 HD11 LEU 51 25.868 12.142 -13.870 405 HD12 LEU 51 HD12 LEU 51 25.354 13.446 -14.952 406 HD13 LEU 51 HD13 LEU 51 26.991 12.757 -15.104 407 HD21 LEU 51 HD21 LEU 51 27.503 12.528 -12.111 408 HD22 LEU 51 HD22 LEU 51 28.682 13.165 -13.277 409 HD23 LEU 51 HD23 LEU 51 28.235 14.121 -11.853 410 H SER 52 H SER 52 26.526 18.348 -14.857 411 HA SER 52 HA SER 52 29.104 19.174 -15.911 412 HB2 SER 52 HB2 SER 52 26.372 20.449 -16.295 413 HB3 SER 52 HB3 SER 52 27.828 20.751 -17.254 414 HG SER 52 HG SER 52 26.297 18.360 -17.091 415 H LYS 53 H LYS 53 26.963 20.550 -13.446 416 HA LYS 53 HA LYS 53 26.947 22.449 -12.210 417 HB2 LYS 53 HB2 LYS 53 29.965 22.084 -12.105 418 HB3 LYS 53 HB3 LYS 53 28.924 22.894 -10.919 419 HG2 LYS 53 HG2 LYS 53 27.686 20.716 -10.652 420 HG3 LYS 53 HG3 LYS 53 28.962 19.954 -11.636 421 HD2 LYS 53 HD2 LYS 53 30.649 20.852 -9.970 422 HD3 LYS 53 HD3 LYS 53 29.298 21.326 -8.934 423 HE2 LYS 53 HE2 LYS 53 29.989 18.492 -9.857 424 HE3 LYS 53 HE3 LYS 53 30.342 19.161 -8.265 425 HZ1 LYS 53 HZ1 LYS 53 28.331 17.797 -8.240 426 HZ2 LYS 53 HZ2 LYS 53 27.920 19.341 -7.876 427 HZ3 LYS 53 HZ3 LYS 53 27.623 18.701 -9.375 428 H GLN 54 H GLN 54 26.927 23.012 -14.970 429 HA GLN 54 HA GLN 54 28.739 25.292 -15.283 430 HB2 GLN 54 HB2 GLN 54 28.455 25.097 -17.662 431 HB3 GLN 54 HB3 GLN 54 28.899 23.570 -16.927 432 HG2 GLN 54 HG2 GLN 54 27.349 22.941 -18.522 433 HG3 GLN 54 HG3 GLN 54 26.398 22.920 -17.047 434 HE21 GLN 54 HE22 GLN 54 27.148 24.954 -19.951 435 HE22 GLN 54 HE21 GLN 54 25.579 25.744 -19.944 436 H THR 55 H THR 55 28.053 27.230 -16.511 437 HA THR 55 HA THR 55 25.331 28.198 -15.726 438 HB THR 55 HB THR 55 26.360 30.450 -15.613 439 HG1 THR 55 HG1 THR 55 28.623 30.582 -15.541 440 HG21 THR 55 HG21 THR 55 27.480 30.156 -13.464 441 HG22 THR 55 HG22 THR 55 26.089 29.066 -13.559 442 HG23 THR 55 HG23 THR 55 27.736 28.426 -13.782 443 H SER 56 H SER 56 24.411 29.906 -17.067 444 HA SER 56 HA SER 56 25.209 29.848 -19.939 445 HB2 SER 56 HB2 SER 56 22.867 29.443 -20.571 446 HB3 SER 56 HB3 SER 56 23.563 28.089 -19.667 447 HG SER 56 HG SER 56 21.432 28.674 -18.941 448 H GLY 57 H GLY 57 24.114 31.457 -21.268 449 HA2 GLY 57 HA2 GLY 57 23.214 33.519 -21.745 450 HA3 GLY 57 HA3 GLY 57 22.743 33.704 -20.059 451 H GLY 58 H GLY 58 26.047 33.105 -20.029 452 HA2 GLY 58 HA2 GLY 58 26.716 35.851 -19.361 453 HA3 GLY 58 HA3 GLY 58 27.803 34.466 -19.378 454 H SER 59 H SER 59 26.804 34.148 -22.367 455 HA SER 59 HA SER 59 28.379 36.313 -23.675 456 HB2 SER 59 HB2 SER 59 28.791 33.326 -24.115 457 HB3 SER 59 HB3 SER 59 29.473 34.612 -25.122 458 HG SER 59 HG SER 59 30.013 34.125 -22.361 459 H GLY 60 H GLY 60 27.929 36.628 -25.885 460 HA2 GLY 60 HA2 GLY 60 25.228 35.980 -26.821 461 HA3 GLY 60 HA3 GLY 60 26.453 36.933 -27.656 462 H GLY 61 H GLY 61 25.369 35.614 -29.443 463 HA2 GLY 61 HA2 GLY 61 25.802 34.189 -31.203 464 HA3 GLY 61 HA3 GLY 61 27.254 33.628 -30.378 465 H SER 62 H SER 62 24.101 33.338 -28.822 466 HA SER 62 HA SER 62 24.320 30.477 -28.532 467 HB2 SER 62 HB2 SER 62 22.114 30.674 -27.420 468 HB3 SER 62 HB3 SER 62 23.321 31.806 -26.789 469 HG SER 62 HG SER 62 21.279 32.822 -27.156 470 H LYS 63 H LYS 63 22.689 28.917 -29.121 471 HA LYS 63 HA LYS 63 21.392 29.356 -31.780 472 HB2 LYS 63 HB2 LYS 63 23.616 28.315 -31.987 473 HB3 LYS 63 HB3 LYS 63 23.140 26.993 -30.934 474 HG2 LYS 63 HG2 LYS 63 21.562 27.568 -33.464 475 HG3 LYS 63 HG3 LYS 63 23.141 26.792 -33.573 476 HD2 LYS 63 HD2 LYS 63 22.406 24.992 -32.036 477 HD3 LYS 63 HD3 LYS 63 20.780 25.663 -32.005 478 HE2 LYS 63 HE2 LYS 63 22.269 24.646 -34.475 479 HE3 LYS 63 HE3 LYS 63 21.054 23.746 -33.569 480 HZ1 LYS 63 HZ1 LYS 63 20.555 26.249 -35.107 481 HZ2 LYS 63 HZ2 LYS 63 20.019 24.757 -35.474 482 HZ3 LYS 63 HZ3 LYS 63 19.427 25.528 -34.151 483 H LEU 64 H LEU 64 19.488 28.352 -32.146 484 HA LEU 64 HA LEU 64 18.143 26.999 -29.833 485 HB2 LEU 64 HB2 LEU 64 17.003 28.878 -31.937 486 HB3 LEU 64 HB3 LEU 64 16.067 28.088 -30.671 487 HG LEU 64 HG LEU 64 18.271 30.143 -30.198 488 HD11 LEU 64 HD11 LEU 64 16.430 31.626 -29.542 489 HD12 LEU 64 HD12 LEU 64 16.245 31.103 -31.223 490 HD13 LEU 64 HD13 LEU 64 15.243 30.366 -29.953 491 HD21 LEU 64 HD21 LEU 64 16.336 28.819 -28.243 492 HD22 LEU 64 HD22 LEU 64 18.103 28.616 -28.276 493 HD23 LEU 64 HD23 LEU 64 17.409 30.185 -27.867 494 H GLY 65 H GLY 65 16.390 25.561 -30.325 495 HA2 GLY 65 HA2 GLY 65 17.033 23.616 -32.384 496 HA3 GLY 65 HA3 GLY 65 15.734 23.524 -31.193 497 H GLY 66 H GLY 66 16.364 25.921 -33.807 498 HA2 GLY 66 HA2 GLY 66 15.062 26.634 -35.595 499 HA3 GLY 66 HA3 GLY 66 14.212 25.086 -35.537 500 H SER 67 H SER 67 12.113 25.732 -35.683 501 HA SER 67 HA SER 67 10.925 27.231 -33.408 502 HB2 SER 67 HB2 SER 67 11.397 28.779 -35.379 503 HB3 SER 67 HB3 SER 67 10.196 27.846 -36.292 504 HG SER 67 HG SER 67 9.341 29.743 -35.191 505 H GLY 68 H GLY 68 8.335 27.213 -34.116 506 HA2 GLY 68 HA2 GLY 68 7.487 24.386 -34.107 507 HA3 GLY 68 HA3 GLY 68 6.443 25.805 -34.024 508 H GLY 69 H GLY 69 6.635 23.270 -35.827 509 HA2 GLY 69 HA2 GLY 69 5.862 22.776 -37.939 510 HA3 GLY 69 HA3 GLY 69 5.602 24.493 -38.232 511 H SER 70 H SER 70 8.868 23.806 -37.376 512 HA SER 70 HA SER 70 9.745 23.452 -40.202 513 HB2 SER 70 HB2 SER 70 11.540 25.029 -39.905 514 HB3 SER 70 HB3 SER 70 9.988 25.818 -39.607 515 HG SER 70 HG SER 70 11.588 26.370 -38.049 516 H ARG 71 H ARG 71 12.011 22.680 -40.394 517 HA ARG 71 HA ARG 71 12.262 20.263 -38.811 518 HB2 ARG 71 HB2 ARG 71 12.627 20.386 -41.250 519 HB3 ARG 71 HB3 ARG 71 14.053 21.398 -40.997 520 HG2 ARG 71 HG2 ARG 71 15.187 19.548 -39.815 521 HG3 ARG 71 HG3 ARG 71 13.725 18.550 -39.942 522 HD2 ARG 71 HD2 ARG 71 13.890 18.598 -42.401 523 HD3 ARG 71 HD3 ARG 71 15.316 19.627 -42.320 524 HE ARG 71 HE ARG 71 15.117 16.740 -41.705 525 HH11 ARG 71 HH21 ARG 71 17.260 19.526 -41.609 526 HH12 ARG 71 HH22 ARG 71 18.682 18.533 -41.443 527 HH21 ARG 71 HH11 ARG 71 16.969 15.548 -41.491 528 HH22 ARG 71 HH12 ARG 71 18.515 16.336 -41.383 529 H LYS 72 H LYS 72 13.734 19.642 -37.352 530 HA LYS 72 HA LYS 72 16.190 21.124 -36.848 531 HB2 LYS 72 HB2 LYS 72 15.977 21.541 -34.558 532 HB3 LYS 72 HB3 LYS 72 14.572 22.253 -35.308 533 HG2 LYS 72 HG2 LYS 72 14.627 19.601 -33.780 534 HG3 LYS 72 HG3 LYS 72 14.167 21.143 -33.100 535 HD2 LYS 72 HD2 LYS 72 12.679 19.586 -35.236 536 HD3 LYS 72 HD3 LYS 72 12.191 19.825 -33.571 537 HE2 LYS 72 HE2 LYS 72 12.408 22.039 -35.663 538 HE3 LYS 72 HE3 LYS 72 10.926 21.207 -35.213 539 HZ1 LYS 72 HZ1 LYS 72 12.548 22.928 -33.391 540 HZ2 LYS 72 HZ2 LYS 72 11.073 23.271 -34.025 541 HZ3 LYS 72 HZ3 LYS 72 11.222 22.068 -32.921 542 H ASP 73 H ASP 73 17.677 19.952 -35.392 543 HA ASP 73 HA ASP 73 17.737 17.146 -36.162 544 HB2 ASP 73 HB2 ASP 73 19.736 18.519 -36.218 545 HB3 ASP 73 HB3 ASP 73 19.612 18.848 -34.490 546 H LEU 74 H LEU 74 16.379 15.803 -35.169 547 HA LEU 74 HA LEU 74 16.835 15.098 -32.387 548 HB2 LEU 74 HB2 LEU 74 14.469 15.195 -31.701 549 HB3 LEU 74 HB3 LEU 74 15.181 16.757 -32.005 550 HG LEU 74 HG LEU 74 13.967 16.911 -34.183 551 HD11 LEU 74 HD11 LEU 74 12.653 14.314 -33.256 552 HD12 LEU 74 HD12 LEU 74 11.978 15.392 -34.495 553 HD13 LEU 74 HD13 LEU 74 13.515 14.601 -34.793 554 HD21 LEU 74 HD21 LEU 74 12.228 16.349 -31.745 555 HD22 LEU 74 HD22 LEU 74 13.072 17.873 -32.092 556 HD23 LEU 74 HD23 LEU 74 11.774 17.321 -33.163 557 H SER 75 H SER 75 15.366 13.128 -31.809 558 HA SER 75 HA SER 75 14.924 11.367 -34.192 559 HB2 SER 75 HB2 SER 75 16.882 10.650 -32.846 560 HB3 SER 75 HB3 SER 75 15.819 10.477 -31.431 561 HG SER 75 HG SER 75 16.122 8.492 -32.645 562 H VAL 76 H VAL 76 12.908 10.591 -34.407 563 HA VAL 76 HA VAL 76 10.880 11.540 -32.503 564 HB VAL 76 HB VAL 76 9.213 10.745 -34.150 565 HG11 VAL 76 HG11 VAL 76 10.020 13.049 -34.099 566 HG12 VAL 76 HG12 VAL 76 11.330 12.641 -35.233 567 HG13 VAL 76 HG13 VAL 76 9.632 12.535 -35.748 568 HG21 VAL 76 HG21 VAL 76 9.870 10.144 -36.407 569 HG22 VAL 76 HG22 VAL 76 11.590 10.193 -35.977 570 HG23 VAL 76 HG23 VAL 76 10.522 8.962 -35.265 571 H LYS 77 H LYS 77 9.265 10.397 -31.596 572 HA LYS 77 HA LYS 77 8.455 8.854 -30.133 573 HB2 LYS 77 HB2 LYS 77 9.056 6.929 -32.410 574 HB3 LYS 77 HB3 LYS 77 7.931 6.650 -31.080 575 HG2 LYS 77 HG2 LYS 77 6.588 8.619 -31.802 576 HG3 LYS 77 HG3 LYS 77 7.672 8.830 -33.194 577 HD2 LYS 77 HD2 LYS 77 7.093 6.557 -33.999 578 HD3 LYS 77 HD3 LYS 77 5.999 6.343 -32.613 579 HE2 LYS 77 HE2 LYS 77 4.671 8.307 -33.360 580 HE3 LYS 77 HE3 LYS 77 5.755 8.521 -34.741 581 HZ1 LYS 77 HZ1 LYS 77 3.759 7.279 -35.374 582 HZ2 LYS 77 HZ2 LYS 77 5.064 6.311 -35.539 583 HZ3 LYS 77 HZ3 LYS 77 4.054 6.120 -34.266 584 H GLY 78 H GLY 78 11.547 9.130 -30.119 585 HA2 GLY 78 HA2 GLY 78 12.410 6.587 -28.903 586 HA3 GLY 78 HA3 GLY 78 13.396 8.012 -29.195 587 H MET 79 H MET 79 13.784 6.732 -26.915 588 HA MET 79 HA MET 79 12.193 7.716 -24.698 589 HB2 MET 79 HB2 MET 79 13.614 6.355 -23.317 590 HB3 MET 79 HB3 MET 79 13.066 5.448 -24.713 591 HG2 MET 79 HG2 MET 79 15.829 6.710 -24.457 592 HG3 MET 79 HG3 MET 79 15.438 5.050 -24.040 593 HE1 MET 79 HE1 MET 79 17.466 4.214 -25.509 594 HE2 MET 79 HE2 MET 79 17.696 4.662 -27.212 595 HE3 MET 79 HE3 MET 79 17.830 5.901 -25.946 596 H LEU 80 H LEU 80 13.192 9.930 -26.069 597 HA LEU 80 HA LEU 80 15.676 10.901 -24.879 598 HB2 LEU 80 HB2 LEU 80 13.636 12.004 -26.837 599 HB3 LEU 80 HB3 LEU 80 14.881 13.029 -26.158 600 HG LEU 80 HG LEU 80 16.654 11.549 -27.048 601 HD11 LEU 80 HD11 LEU 80 15.481 9.407 -27.309 602 HD12 LEU 80 HD12 LEU 80 14.362 10.147 -28.494 603 HD13 LEU 80 HD13 LEU 80 16.092 9.955 -28.868 604 HD21 LEU 80 HD21 LEU 80 15.884 13.551 -28.270 605 HD22 LEU 80 HD22 LEU 80 16.394 12.274 -29.386 606 HD23 LEU 80 HD23 LEU 80 14.661 12.569 -29.116 607 H TYR 81 H TYR 81 12.278 11.372 -24.123 608 HA TYR 81 HA TYR 81 12.969 13.576 -22.212 609 HB2 TYR 81 HB2 TYR 81 10.393 13.223 -23.765 610 HB3 TYR 81 HB3 TYR 81 10.880 14.613 -22.811 611 HD1 TYR 81 HD1 TYR 81 13.134 15.805 -23.534 612 HD2 TYR 81 HD2 TYR 81 10.776 13.253 -26.098 613 HE1 TYR 81 HE1 TYR 81 14.202 16.830 -25.542 614 HE2 TYR 81 HE2 TYR 81 11.847 14.274 -28.094 615 HH TYR 81 HH TYR 81 13.343 15.830 -28.879 616 H ASP 82 H ASP 82 12.244 10.443 -21.880 617 HA ASP 82 HA ASP 82 10.145 10.755 -19.795 618 HB2 ASP 82 HB2 ASP 82 9.862 9.041 -21.530 619 HB3 ASP 82 HB3 ASP 82 11.387 8.290 -21.060 620 H SER 83 H SER 83 10.449 10.343 -17.634 621 HA SER 83 HA SER 83 12.665 8.847 -16.601 622 HB2 SER 83 HB2 SER 83 13.751 10.510 -15.234 623 HB3 SER 83 HB3 SER 83 13.834 11.018 -16.911 624 HG SER 83 HG SER 83 12.032 12.427 -16.484 625 H ASP 84 H ASP 84 12.588 8.858 -14.086 626 HA ASP 84 HA ASP 84 9.855 8.574 -13.120 627 HB2 ASP 84 HB2 ASP 84 12.538 8.341 -11.706 628 HB3 ASP 84 HB3 ASP 84 10.977 7.903 -11.007 629 H SER 85 H SER 85 10.194 11.189 -13.963 630 HA SER 85 HA SER 85 11.285 13.115 -12.322 631 HB2 SER 85 HB2 SER 85 9.719 14.688 -13.495 632 HB3 SER 85 HB3 SER 85 10.577 13.575 -14.573 633 HG SER 85 HG SER 85 8.334 13.687 -15.091 634 H GLN 86 H GLN 86 7.782 12.203 -12.223 635 HA GLN 86 HA GLN 86 7.250 14.145 -10.203 636 HB2 GLN 86 HB2 GLN 86 5.629 11.724 -11.100 637 HB3 GLN 86 HB3 GLN 86 5.028 12.995 -10.023 638 HG2 GLN 86 HG2 GLN 86 5.448 14.703 -11.788 639 HG3 GLN 86 HG3 GLN 86 5.976 13.434 -12.896 640 HE21 GLN 86 HE22 GLN 86 4.327 11.753 -13.543 641 HE22 GLN 86 HE21 GLN 86 2.632 12.211 -13.493 642 H GLN 87 H GLN 87 7.789 10.591 -9.820 643 HA GLN 87 HA GLN 87 7.306 10.645 -6.989 644 HB2 GLN 87 HB2 GLN 87 7.158 8.597 -8.315 645 HB3 GLN 87 HB3 GLN 87 8.869 8.696 -8.726 646 HG2 GLN 87 HG2 GLN 87 8.486 7.013 -7.016 647 HG3 GLN 87 HG3 GLN 87 9.493 8.293 -6.377 648 HE21 GLN 87 HE22 GLN 87 8.452 9.857 -4.789 649 HE22 GLN 87 HE21 GLN 87 7.025 9.292 -3.921 650 H ILE 88 H ILE 88 10.347 10.956 -8.905 651 HA ILE 88 HA ILE 88 12.027 11.202 -6.553 652 HB ILE 88 HB ILE 88 12.484 12.037 -9.439 653 HG12 ILE 88 HG12 ILE 88 12.230 9.571 -9.073 654 HG13 ILE 88 HG13 ILE 88 13.793 10.051 -9.698 655 HG21 ILE 88 HG21 ILE 88 13.967 13.393 -8.091 656 HG22 ILE 88 HG22 ILE 88 14.421 12.013 -7.081 657 HG23 ILE 88 HG23 ILE 88 14.931 12.090 -8.775 658 HD11 ILE 88 HD11 ILE 88 13.925 8.263 -7.983 659 HD12 ILE 88 HD12 ILE 88 14.850 9.698 -7.518 660 HD13 ILE 88 HD13 ILE 88 13.265 9.372 -6.771 661 H LEU 89 H LEU 89 10.424 13.713 -8.654 662 HA LEU 89 HA LEU 89 11.471 15.906 -7.156 663 HB2 LEU 89 HB2 LEU 89 10.351 16.124 -9.389 664 HB3 LEU 89 HB3 LEU 89 8.833 15.583 -8.686 665 HG LEU 89 HG LEU 89 8.786 17.643 -7.244 666 HD11 LEU 89 HD11 LEU 89 10.252 19.535 -7.852 667 HD12 LEU 89 HD12 LEU 89 11.203 18.192 -7.203 668 HD13 LEU 89 HD13 LEU 89 11.153 18.502 -8.966 669 HD21 LEU 89 HD21 LEU 89 8.992 18.158 -10.230 670 HD22 LEU 89 HD22 LEU 89 7.562 17.553 -9.376 671 HD23 LEU 89 HD23 LEU 89 8.164 19.177 -9.037 672 H ASN 90 H ASN 90 8.403 14.051 -6.656 673 HA ASN 90 HA ASN 90 7.519 15.513 -4.415 674 HB2 ASN 90 HB2 ASN 90 6.137 13.868 -5.591 675 HB3 ASN 90 HB3 ASN 90 7.212 12.551 -5.120 676 HD21 ASN 90 HD22 ASN 90 4.853 14.944 -3.855 677 HD22 ASN 90 HD21 ASN 90 4.543 14.048 -2.383 678 H ARG 91 H ARG 91 9.599 12.475 -4.317 679 HA ARG 91 HA ARG 91 9.875 12.814 -1.460 680 HB2 ARG 91 HB2 ARG 91 10.093 10.602 -2.490 681 HB3 ARG 91 HB3 ARG 91 11.531 11.117 -3.370 682 HG2 ARG 91 HG2 ARG 91 12.155 9.769 -1.408 683 HG3 ARG 91 HG3 ARG 91 12.759 11.413 -1.230 684 HD2 ARG 91 HD2 ARG 91 10.665 11.872 0.212 685 HD3 ARG 91 HD3 ARG 91 10.394 10.120 0.175 686 HE ARG 91 HE ARG 91 13.100 10.705 1.024 687 HH11 ARG 91 HH21 ARG 91 9.838 10.928 2.333 688 HH12 ARG 91 HH22 ARG 91 10.431 10.941 3.972 689 HH21 ARG 91 HH11 ARG 91 13.748 10.707 3.019 690 HH22 ARG 91 HH12 ARG 91 12.632 10.824 4.378 691 H LEU 92 H LEU 92 11.897 14.011 -4.144 692 HA LEU 92 HA LEU 92 14.084 14.873 -2.483 693 HB2 LEU 92 HB2 LEU 92 14.168 14.466 -4.904 694 HB3 LEU 92 HB3 LEU 92 13.054 15.786 -5.210 695 HG LEU 92 HG LEU 92 15.372 16.197 -5.804 696 HD11 LEU 92 HD11 LEU 92 15.559 18.416 -5.130 697 HD12 LEU 92 HD12 LEU 92 13.820 18.083 -5.263 698 HD13 LEU 92 HD13 LEU 92 14.611 18.184 -3.661 699 HD21 LEU 92 HD21 LEU 92 17.078 16.709 -4.115 700 HD22 LEU 92 HD22 LEU 92 15.966 16.255 -2.814 701 HD23 LEU 92 HD23 LEU 92 16.528 15.031 -3.982 702 H ARG 93 H ARG 93 11.214 16.674 -3.739 703 HA ARG 93 HA ARG 93 11.912 19.142 -2.428 704 HB2 ARG 93 HB2 ARG 93 10.301 18.750 -4.398 705 HB3 ARG 93 HB3 ARG 93 9.091 18.273 -3.194 706 HG2 ARG 93 HG2 ARG 93 9.408 20.547 -2.103 707 HG3 ARG 93 HG3 ARG 93 10.578 20.939 -3.368 708 HD2 ARG 93 HD2 ARG 93 8.643 20.391 -5.042 709 HD3 ARG 93 HD3 ARG 93 7.590 20.519 -3.635 710 HE ARG 93 HE ARG 93 8.098 22.834 -3.417 711 HH11 ARG 93 HH11 ARG 93 9.658 21.541 -6.297 712 HH12 ARG 93 HH12 ARG 93 9.995 23.149 -6.917 713 HH21 ARG 93 HH21 ARG 93 8.702 24.841 -4.279 714 HH22 ARG 93 HH22 ARG 93 9.644 24.870 -5.761 715 H GLU 94 H GLU 94 9.867 16.383 -1.347 716 HA GLU 94 HA GLU 94 9.215 17.572 1.195 717 HB2 GLU 94 HB2 GLU 94 9.436 14.677 0.294 718 HB3 GLU 94 HB3 GLU 94 8.839 15.163 1.884 719 HG2 GLU 94 HG2 GLU 94 7.603 16.143 -0.721 720 HG3 GLU 94 HG3 GLU 94 7.068 14.695 0.122 721 H ARG 95 H ARG 95 11.970 15.419 0.270 722 HA ARG 95 HA ARG 95 13.153 15.210 2.833 723 HB2 ARG 95 HB2 ARG 95 13.660 13.874 0.764 724 HB3 ARG 95 HB3 ARG 95 14.527 15.264 0.104 725 HG2 ARG 95 HG2 ARG 95 16.101 15.081 2.114 726 HG3 ARG 95 HG3 ARG 95 15.215 13.608 2.560 727 HD2 ARG 95 HD2 ARG 95 15.749 13.104 -0.091 728 HD3 ARG 95 HD3 ARG 95 17.148 14.101 0.323 729 HE ARG 95 HE ARG 95 16.280 11.538 1.654 730 HH11 ARG 95 HH21 ARG 95 19.092 13.590 0.854 731 HH12 ARG 95 HH22 ARG 95 20.162 12.249 1.282 732 HH21 ARG 95 HH11 ARG 95 17.796 10.057 2.181 733 HH22 ARG 95 HH12 ARG 95 19.512 10.493 2.004 734 H VAL 96 H VAL 96 13.700 17.709 0.316 735 HA VAL 96 HA VAL 96 15.682 19.065 2.019 736 HB VAL 96 HB VAL 96 14.651 19.828 -0.732 737 HG11 VAL 96 HG11 VAL 96 16.823 21.119 -0.819 738 HG12 VAL 96 HG12 VAL 96 15.671 21.767 0.354 739 HG13 VAL 96 HG13 VAL 96 17.046 20.782 0.906 740 HG21 VAL 96 HG21 VAL 96 17.106 18.271 0.179 741 HG22 VAL 96 HG22 VAL 96 15.789 17.648 -0.819 742 HG23 VAL 96 HG23 VAL 96 16.866 18.879 -1.479 743 H SER 97 H SER 97 12.337 19.742 0.941 744 HA SER 97 HA SER 97 12.337 22.226 2.610 745 HB2 SER 97 HB2 SER 97 10.942 21.804 -0.046 746 HB3 SER 97 HB3 SER 97 11.022 23.299 0.911 747 HG SER 97 HG SER 97 12.594 23.407 -0.692 748 H GLY 98 H GLY 98 10.875 19.215 2.725 749 HA2 GLY 98 HA2 GLY 98 8.109 19.789 2.790 750 HA3 GLY 98 HA3 GLY 98 8.911 18.467 3.645 751 H SER 99 H SER 99 10.519 20.521 5.246 752 HA SER 99 HA SER 99 8.603 21.008 7.405 753 HB2 SER 99 HB2 SER 99 10.631 21.776 8.616 754 HB3 SER 99 HB3 SER 99 10.774 20.142 7.951 755 HG SER 99 HG SER 99 12.652 21.413 7.526 756 H THR 100 H THR 100 9.751 22.903 4.727 757 HA THR 100 HA THR 100 8.962 25.464 6.085 758 HB THR 100 HB THR 100 10.528 26.578 4.548 759 HG1 THR 100 HG1 THR 100 12.000 25.307 3.400 760 HG21 THR 100 HG21 THR 100 12.589 25.940 5.660 761 HG22 THR 100 HG22 THR 100 11.264 25.904 6.837 762 HG23 THR 100 HG23 THR 100 11.896 24.384 6.165 763 H ALA 101 H ALA 101 8.503 23.523 3.159 764 HA ALA 101 HA ALA 101 7.278 25.485 1.540 765 HB1 ALA 101 HB1 ALA 101 6.452 23.537 0.269 766 HB2 ALA 101 HB2 ALA 101 8.142 23.325 0.749 767 HB3 ALA 101 HB3 ALA 101 6.855 22.466 1.632 768 H GLN 102 H GLN 102 5.930 23.926 4.352 769 HA GLN 102 HA GLN 102 3.135 24.311 3.737 770 HB2 GLN 102 HB2 GLN 102 4.096 22.694 5.384 771 HB3 GLN 102 HB3 GLN 102 4.544 24.047 6.430 772 HG2 GLN 102 HG2 GLN 102 2.164 24.634 6.712 773 HG3 GLN 102 HG3 GLN 102 1.694 23.389 5.547 774 HE21 GLN 102 HE22 GLN 102 3.202 23.853 8.803 775 HE22 GLN 102 HE21 GLN 102 2.743 22.255 9.370 776 H SER 103 H SER 103 5.644 26.517 4.867 777 HA SER 103 HA SER 103 3.877 28.420 6.147 778 HB2 SER 103 HB2 SER 103 6.741 28.734 5.183 779 HB3 SER 103 HB3 SER 103 5.865 29.862 6.230 780 HG SER 103 HG SER 103 7.152 28.409 7.458 781 H ALA 104 H ALA 104 3.325 30.502 5.491 782 HA ALA 104 HA ALA 104 3.672 31.346 2.680 783 HB1 ALA 104 HB1 ALA 104 1.258 31.769 2.433 784 HB2 ALA 104 HB2 ALA 104 1.577 30.046 2.699 785 HB3 ALA 104 HB3 ALA 104 0.950 31.051 4.026 Start of MODEL 18 1 H1 SER 1 H1 SER 1 -5.551 -6.345 -8.889 2 H2 SER 1 H2 SER 1 -4.948 -4.830 -8.719 3 H3 SER 1 H3 SER 1 -5.748 -5.242 -10.087 4 HA SER 1 HA SER 1 -4.053 -6.843 -10.684 5 HB2 SER 1 HB2 SER 1 -2.944 -4.044 -10.219 6 HB3 SER 1 HB3 SER 1 -2.327 -5.253 -11.363 7 HG SER 1 HG SER 1 -3.753 -3.761 -12.380 8 H VAL 2 H VAL 2 -1.882 -7.649 -10.369 9 HA VAL 2 HA VAL 2 -0.704 -7.351 -7.644 10 HB VAL 2 HB VAL 2 -0.217 -9.762 -7.570 11 HG11 VAL 2 HG11 VAL 2 -2.148 -8.818 -6.349 12 HG12 VAL 2 HG12 VAL 2 -3.201 -9.206 -7.729 13 HG13 VAL 2 HG13 VAL 2 -2.397 -10.506 -6.828 14 HG21 VAL 2 HG21 VAL 2 -0.428 -10.337 -9.975 15 HG22 VAL 2 HG22 VAL 2 -1.436 -11.366 -8.950 16 HG23 VAL 2 HG23 VAL 2 -2.181 -10.056 -9.885 17 H SER 3 H SER 3 1.535 -8.076 -7.496 18 HA SER 3 HA SER 3 3.057 -8.251 -10.030 19 HB2 SER 3 HB2 SER 3 2.913 -5.824 -9.391 20 HB3 SER 3 HB3 SER 3 3.760 -6.217 -7.881 21 HG SER 3 HG SER 3 5.168 -5.520 -9.612 22 H ILE 4 H ILE 4 5.335 -8.744 -9.638 23 HA ILE 4 HA ILE 4 5.674 -10.690 -7.407 24 HB ILE 4 HB ILE 4 7.287 -11.837 -8.684 25 HG12 ILE 4 HG12 ILE 4 8.426 -10.070 -9.899 26 HG13 ILE 4 HG13 ILE 4 7.962 -11.406 -10.926 27 HG21 ILE 4 HG21 ILE 4 4.813 -11.339 -10.378 28 HG22 ILE 4 HG22 ILE 4 5.899 -12.737 -10.473 29 HG23 ILE 4 HG23 ILE 4 4.961 -12.445 -9.001 30 HD11 ILE 4 HD11 ILE 4 6.643 -8.665 -10.864 31 HD12 ILE 4 HD12 ILE 4 7.659 -9.352 -12.132 32 HD13 ILE 4 HD13 ILE 4 6.060 -10.044 -11.834 33 H LEU 5 H LEU 5 6.645 -7.563 -8.166 34 HA LEU 5 HA LEU 5 8.590 -7.621 -6.003 35 HB2 LEU 5 HB2 LEU 5 10.451 -6.754 -7.074 36 HB3 LEU 5 HB3 LEU 5 9.960 -8.108 -8.066 37 HG LEU 5 HG LEU 5 9.468 -5.157 -8.713 38 HD11 LEU 5 HD11 LEU 5 11.467 -7.146 -9.855 39 HD12 LEU 5 HD12 LEU 5 11.220 -5.475 -10.406 40 HD13 LEU 5 HD13 LEU 5 11.844 -5.784 -8.778 41 HD21 LEU 5 HD21 LEU 5 7.774 -6.545 -9.829 42 HD22 LEU 5 HD22 LEU 5 8.953 -5.967 -11.006 43 HD23 LEU 5 HD23 LEU 5 9.044 -7.643 -10.426 44 H ARG 6 H ARG 6 9.083 -5.608 -5.097 45 HA ARG 6 HA ARG 6 8.473 -3.638 -4.138 46 HB2 ARG 6 HB2 ARG 6 8.127 -2.777 -7.036 47 HB3 ARG 6 HB3 ARG 6 8.279 -1.692 -5.649 48 HG2 ARG 6 HG2 ARG 6 10.515 -2.646 -5.131 49 HG3 ARG 6 HG3 ARG 6 10.410 -3.655 -6.590 50 HD2 ARG 6 HD2 ARG 6 10.231 -1.633 -7.999 51 HD3 ARG 6 HD3 ARG 6 10.244 -0.613 -6.560 52 HE ARG 6 HE ARG 6 12.546 -1.082 -6.175 53 HH11 ARG 6 HH11 ARG 6 11.594 -2.611 -9.209 54 HH12 ARG 6 HH12 ARG 6 13.262 -2.832 -9.664 55 HH21 ARG 6 HH21 ARG 6 14.456 -1.351 -6.763 56 HH22 ARG 6 HH22 ARG 6 14.911 -2.120 -8.290 57 H SER 7 H SER 7 6.219 -5.558 -4.601 58 HA SER 7 HA SER 7 3.825 -4.257 -5.206 59 HB2 SER 7 HB2 SER 7 4.187 -6.548 -3.240 60 HB3 SER 7 HB3 SER 7 2.734 -6.160 -4.184 61 HG SER 7 HG SER 7 3.989 -7.838 -5.160 62 H SER 8 H SER 8 5.615 -4.064 -2.196 63 HA SER 8 HA SER 8 3.444 -2.988 -0.570 64 HB2 SER 8 HB2 SER 8 5.277 -2.641 1.069 65 HB3 SER 8 HB3 SER 8 5.215 -4.294 0.436 66 HG SER 8 HG SER 8 7.360 -3.533 0.399 67 H VAL 9 H VAL 9 5.360 -1.613 -3.024 68 HA VAL 9 HA VAL 9 6.070 0.435 -3.608 69 HB VAL 9 HB VAL 9 3.650 1.613 -2.213 70 HG11 VAL 9 HG11 VAL 9 3.651 3.108 -4.179 71 HG12 VAL 9 HG12 VAL 9 5.209 3.211 -3.358 72 HG13 VAL 9 HG13 VAL 9 5.063 2.262 -4.848 73 HG21 VAL 9 HG21 VAL 9 2.803 -0.341 -3.417 74 HG22 VAL 9 HG22 VAL 9 2.385 1.121 -4.300 75 HG23 VAL 9 HG23 VAL 9 3.735 0.112 -4.865 76 H ASN 10 H ASN 10 7.566 -0.418 -1.663 77 HA ASN 10 HA ASN 10 7.758 1.121 0.713 78 HB2 ASN 10 HB2 ASN 10 8.714 -1.132 0.369 79 HB3 ASN 10 HB3 ASN 10 9.874 -0.486 -0.791 80 HD21 ASN 10 HD22 ASN 10 10.997 -1.883 1.157 81 HD22 ASN 10 HD21 ASN 10 11.706 -0.830 2.372 82 H HIS 11 H HIS 11 8.420 3.147 1.097 83 HA HIS 11 HA HIS 11 9.377 4.899 -0.979 84 HB2 HIS 11 HB2 HIS 11 9.395 6.590 0.754 85 HB3 HIS 11 HB3 HIS 11 7.926 5.624 0.878 86 HD2 HIS 11 HD2 HIS 11 11.114 6.532 2.788 87 HE1 HIS 11 HE1 HIS 11 8.952 3.882 5.339 88 HE2 HIS 11 HE2 HIS 11 10.933 5.475 5.201 89 H ARG 12 H ARG 12 11.161 2.782 1.162 90 HA ARG 12 HA ARG 12 13.588 4.221 1.368 91 HB2 ARG 12 HB2 ARG 12 12.967 1.997 2.476 92 HB3 ARG 12 HB3 ARG 12 13.350 1.227 0.924 93 HG2 ARG 12 HG2 ARG 12 15.218 1.031 2.500 94 HG3 ARG 12 HG3 ARG 12 15.674 1.939 1.075 95 HD2 ARG 12 HD2 ARG 12 16.642 2.962 3.044 96 HD3 ARG 12 HD3 ARG 12 15.462 4.068 2.343 97 HE ARG 12 HE ARG 12 14.406 2.307 4.454 98 HH11 ARG 12 HH11 ARG 12 15.908 5.484 3.943 99 HH12 ARG 12 HH12 ARG 12 15.488 5.984 5.560 100 HH21 ARG 12 HH21 ARG 12 13.864 3.093 6.442 101 HH22 ARG 12 HH22 ARG 12 14.354 4.691 6.912 102 H GLU 13 H GLU 13 12.272 2.445 -1.410 103 HA GLU 13 HA GLU 13 14.671 2.357 -2.977 104 HB2 GLU 13 HB2 GLU 13 11.727 2.487 -3.698 105 HB3 GLU 13 HB3 GLU 13 13.002 2.212 -4.889 106 HG2 GLU 13 HG2 GLU 13 12.517 0.426 -2.469 107 HG3 GLU 13 HG3 GLU 13 11.822 0.142 -4.059 108 H VAL 14 H VAL 14 12.103 4.857 -2.689 109 HA VAL 14 HA VAL 14 13.294 6.703 -4.595 110 HB VAL 14 HB VAL 14 11.367 7.317 -2.320 111 HG11 VAL 14 HG11 VAL 14 12.399 9.325 -3.474 112 HG12 VAL 14 HG12 VAL 14 11.708 8.724 -4.998 113 HG13 VAL 14 HG13 VAL 14 10.648 9.206 -3.667 114 HG21 VAL 14 HG21 VAL 14 9.565 7.063 -4.007 115 HG22 VAL 14 HG22 VAL 14 10.750 6.442 -5.172 116 HG23 VAL 14 HG23 VAL 14 10.376 5.533 -3.690 117 H ASP 15 H ASP 15 13.441 6.407 -1.024 118 HA ASP 15 HA ASP 15 15.100 8.706 -0.514 119 HB2 ASP 15 HB2 ASP 15 13.858 7.597 1.233 120 HB3 ASP 15 HB3 ASP 15 14.658 6.061 0.900 121 H GLU 16 H GLU 16 15.987 5.257 -1.079 122 HA GLU 16 HA GLU 16 18.811 5.622 -0.965 123 HB2 GLU 16 HB2 GLU 16 17.728 3.430 -0.738 124 HB3 GLU 16 HB3 GLU 16 17.107 3.520 -2.387 125 HG2 GLU 16 HG2 GLU 16 19.368 3.509 -3.312 126 HG3 GLU 16 HG3 GLU 16 20.076 3.588 -1.694 127 H ALA 17 H ALA 17 16.538 5.762 -3.778 128 HA ALA 17 HA ALA 17 18.575 6.142 -5.718 129 HB1 ALA 17 HB1 ALA 17 15.668 7.057 -5.695 130 HB2 ALA 17 HB2 ALA 17 16.720 7.041 -7.128 131 HB3 ALA 17 HB3 ALA 17 16.292 5.516 -6.331 132 H ILE 18 H ILE 18 16.704 8.581 -3.800 133 HA ILE 18 HA ILE 18 17.994 10.911 -4.862 134 HB ILE 18 HB ILE 18 16.645 10.301 -2.216 135 HG12 ILE 18 HG12 ILE 18 15.856 12.163 -4.502 136 HG13 ILE 18 HG13 ILE 18 15.365 10.475 -4.434 137 HG21 ILE 18 HG21 ILE 18 17.754 13.013 -3.095 138 HG22 ILE 18 HG22 ILE 18 16.673 12.748 -1.712 139 HG23 ILE 18 HG23 ILE 18 18.291 12.070 -1.686 140 HD11 ILE 18 HD11 ILE 18 13.552 11.806 -3.629 141 HD12 ILE 18 HD12 ILE 18 14.221 10.911 -2.246 142 HD13 ILE 18 HD13 ILE 18 14.571 12.648 -2.457 143 H ASP 19 H ASP 19 18.952 8.901 -1.989 144 HA ASP 19 HA ASP 19 21.290 10.454 -1.399 145 HB2 ASP 19 HB2 ASP 19 20.197 8.889 0.169 146 HB3 ASP 19 HB3 ASP 19 20.656 7.524 -0.850 147 H ASN 20 H ASN 20 20.889 7.557 -3.514 148 HA ASN 20 HA ASN 20 23.646 7.279 -4.181 149 HB2 ASN 20 HB2 ASN 20 21.932 5.534 -4.566 150 HB3 ASN 20 HB3 ASN 20 21.125 6.561 -5.753 151 HD21 ASN 20 HD21 ASN 20 24.158 4.749 -5.092 152 HD22 ASN 20 HD22 ASN 20 24.597 4.623 -6.788 153 H ILE 21 H ILE 21 21.060 9.236 -5.766 154 HA ILE 21 HA ILE 21 22.736 10.310 -7.865 155 HB ILE 21 HB ILE 21 20.132 11.186 -6.573 156 HG12 ILE 21 HG12 ILE 21 20.687 10.417 -9.467 157 HG13 ILE 21 HG13 ILE 21 20.382 9.185 -8.233 158 HG21 ILE 21 HG21 ILE 21 21.080 13.298 -7.160 159 HG22 ILE 21 HG22 ILE 21 21.775 12.655 -8.667 160 HG23 ILE 21 HG23 ILE 21 20.027 12.889 -8.508 161 HD11 ILE 21 HD11 ILE 21 18.313 9.669 -9.388 162 HD12 ILE 21 HD12 ILE 21 18.191 10.216 -7.705 163 HD13 ILE 21 HD13 ILE 21 18.447 11.398 -9.006 164 H LEU 22 H LEU 22 21.864 11.539 -4.611 165 HA LEU 22 HA LEU 22 23.293 13.967 -4.738 166 HB2 LEU 22 HB2 LEU 22 21.532 13.288 -3.118 167 HB3 LEU 22 HB3 LEU 22 22.646 12.131 -2.393 168 HG LEU 22 HG LEU 22 24.098 14.016 -1.675 169 HD11 LEU 22 HD11 LEU 22 21.805 15.746 -2.724 170 HD12 LEU 22 HD12 LEU 22 23.163 16.304 -1.715 171 HD13 LEU 22 HD13 LEU 22 23.465 15.721 -3.350 172 HD21 LEU 22 HD21 LEU 22 22.398 13.081 -0.167 173 HD22 LEU 22 HD22 LEU 22 22.589 14.821 0.105 174 HD23 LEU 22 HD23 LEU 22 21.182 14.214 -0.806 175 H ARG 23 H ARG 23 24.439 10.733 -3.659 176 HA ARG 23 HA ARG 23 27.152 11.582 -3.121 177 HB2 ARG 23 HB2 ARG 23 26.094 9.580 -2.121 178 HB3 ARG 23 HB3 ARG 23 25.954 8.838 -3.713 179 HG2 ARG 23 HG2 ARG 23 27.797 7.865 -2.483 180 HG3 ARG 23 HG3 ARG 23 28.417 8.717 -3.895 181 HD2 ARG 23 HD2 ARG 23 29.099 10.628 -2.479 182 HD3 ARG 23 HD3 ARG 23 28.416 9.848 -1.054 183 HE ARG 23 HE ARG 23 30.918 9.189 -2.471 184 HH11 ARG 23 HH22 ARG 23 28.697 8.042 -0.001 185 HH12 ARG 23 HH21 ARG 23 29.892 6.988 0.697 186 HH21 ARG 23 HH12 ARG 23 32.369 7.813 -1.544 187 HH22 ARG 23 HH11 ARG 23 31.912 6.845 -0.170 188 H TYR 24 H TYR 24 25.675 9.983 -5.999 189 HA TYR 24 HA TYR 24 28.045 9.707 -7.514 190 HB2 TYR 24 HB2 TYR 24 26.018 8.538 -8.068 191 HB3 TYR 24 HB3 TYR 24 25.115 10.039 -8.248 192 HD1 TYR 24 HD1 TYR 24 28.188 8.381 -9.718 193 HD2 TYR 24 HD2 TYR 24 24.614 10.709 -10.407 194 HE1 TYR 24 HE1 TYR 24 28.651 8.372 -12.159 195 HE2 TYR 24 HE2 TYR 24 25.075 10.669 -12.856 196 HH TYR 24 HH TYR 24 27.951 9.051 -14.250 197 H THR 25 H THR 25 25.746 12.477 -7.421 198 HA THR 25 HA THR 25 27.340 14.046 -9.324 199 HB THR 25 HB THR 25 25.761 15.857 -8.792 200 HG1 THR 25 HG1 THR 25 24.352 14.022 -7.180 201 HG21 THR 25 HG21 THR 25 23.685 14.836 -9.597 202 HG22 THR 25 HG22 THR 25 25.088 14.290 -10.541 203 HG23 THR 25 HG23 THR 25 24.350 13.213 -9.333 204 H ASN 26 H ASN 26 27.797 13.386 -6.046 205 HA ASN 26 HA ASN 26 28.631 14.396 -4.257 206 HB2 ASN 26 HB2 ASN 26 30.865 15.264 -4.450 207 HB3 ASN 26 HB3 ASN 26 30.637 13.874 -5.490 208 HD21 ASN 26 HD22 ASN 26 30.587 17.469 -5.611 209 HD22 ASN 26 HD21 ASN 26 31.347 17.557 -7.199 210 H SER 27 H SER 27 26.392 15.721 -5.176 211 HA SER 27 HA SER 27 26.895 18.642 -4.879 212 HB2 SER 27 HB2 SER 27 24.676 18.900 -5.809 213 HB3 SER 27 HB3 SER 27 25.603 17.784 -6.819 214 HG SER 27 HG SER 27 24.338 16.158 -6.213 215 H THR 28 H THR 28 24.817 19.757 -3.847 216 HA THR 28 HA THR 28 24.234 18.501 -1.187 217 HB THR 28 HB THR 28 23.539 20.704 -0.422 218 HG1 THR 28 HG1 THR 28 23.930 22.504 -1.698 219 HG21 THR 28 HG21 THR 28 25.721 21.788 -0.283 220 HG22 THR 28 HG22 THR 28 25.917 20.034 -0.097 221 HG23 THR 28 HG23 THR 28 26.334 20.814 -1.636 222 H GLU 29 H GLU 29 22.053 18.437 -0.491 223 HA GLU 29 HA GLU 29 20.235 17.711 -2.564 224 HB2 GLU 29 HB2 GLU 29 18.558 17.515 -0.776 225 HB3 GLU 29 HB3 GLU 29 20.035 16.635 -0.461 226 HG2 GLU 29 HG2 GLU 29 19.668 19.394 0.752 227 HG3 GLU 29 HG3 GLU 29 18.831 18.008 1.434 228 H GLN 30 H GLN 30 20.626 20.844 -0.897 229 HA GLN 30 HA GLN 30 18.287 22.013 -2.108 230 HB2 GLN 30 HB2 GLN 30 19.161 24.138 -1.402 231 HB3 GLN 30 HB3 GLN 30 19.312 22.946 -0.114 232 HG2 GLN 30 HG2 GLN 30 21.746 22.693 -0.663 233 HG3 GLN 30 HG3 GLN 30 21.578 23.946 -1.898 234 HE21 GLN 30 HE22 GLN 30 20.953 26.187 -1.131 235 HE22 GLN 30 HE21 GLN 30 21.381 26.622 0.519 236 H GLN 31 H GLN 31 21.658 21.666 -3.331 237 HA GLN 31 HA GLN 31 21.131 23.253 -5.734 238 HB2 GLN 31 HB2 GLN 31 23.276 21.227 -4.992 239 HB3 GLN 31 HB3 GLN 31 23.172 21.978 -6.586 240 HG2 GLN 31 HG2 GLN 31 23.366 24.220 -5.615 241 HG3 GLN 31 HG3 GLN 31 23.437 23.546 -3.988 242 HE21 GLN 31 HE22 GLN 31 25.329 22.166 -3.438 243 HE22 GLN 31 HE21 GLN 31 26.841 22.432 -4.315 244 H PHE 32 H PHE 32 20.909 19.742 -4.938 245 HA PHE 32 HA PHE 32 20.091 18.922 -7.550 246 HB2 PHE 32 HB2 PHE 32 20.927 17.426 -5.781 247 HB3 PHE 32 HB3 PHE 32 19.512 17.766 -4.803 248 HD1 PHE 32 HD2 PHE 32 18.867 17.197 -8.420 249 HD2 PHE 32 HD1 PHE 32 19.381 15.313 -4.568 250 HE1 PHE 32 HE2 PHE 32 17.685 15.195 -9.240 251 HE2 PHE 32 HE1 PHE 32 18.210 13.295 -5.416 252 HZ PHE 32 HZ PHE 32 17.317 13.252 -7.737 253 H LEU 33 H LEU 33 18.086 20.020 -4.725 254 HA LEU 33 HA LEU 33 15.583 19.792 -6.063 255 HB2 LEU 33 HB2 LEU 33 15.919 19.990 -3.646 256 HB3 LEU 33 HB3 LEU 33 16.476 21.640 -3.818 257 HG LEU 33 HG LEU 33 14.171 21.340 -2.902 258 HD11 LEU 33 HD11 LEU 33 14.876 23.472 -3.993 259 HD12 LEU 33 HD12 LEU 33 14.055 22.932 -5.477 260 HD13 LEU 33 HD13 LEU 33 13.137 23.159 -3.991 261 HD21 LEU 33 HD21 LEU 33 13.425 19.457 -4.333 262 HD22 LEU 33 HD22 LEU 33 12.295 20.818 -4.348 263 HD23 LEU 33 HD23 LEU 33 13.363 20.555 -5.731 264 H GLU 34 H GLU 34 17.802 22.599 -5.841 265 HA GLU 34 HA GLU 34 16.217 24.374 -7.398 266 HB2 GLU 34 HB2 GLU 34 18.122 25.031 -5.969 267 HB3 GLU 34 HB3 GLU 34 19.244 24.270 -7.105 268 HG2 GLU 34 HG2 GLU 34 18.563 25.849 -8.869 269 HG3 GLU 34 HG3 GLU 34 17.353 26.556 -7.799 270 H ALA 35 H ALA 35 18.713 22.031 -8.470 271 HA ALA 35 HA ALA 35 18.493 22.673 -11.259 272 HB1 ALA 35 HB1 ALA 35 19.393 20.111 -9.871 273 HB2 ALA 35 HB2 ALA 35 19.675 20.539 -11.578 274 HB3 ALA 35 HB3 ALA 35 20.408 21.513 -10.297 275 H MET 36 H MET 36 16.774 20.184 -9.255 276 HA MET 36 HA MET 36 15.199 19.141 -11.423 277 HB2 MET 36 HB2 MET 36 14.795 19.287 -8.407 278 HB3 MET 36 HB3 MET 36 13.648 18.494 -9.487 279 HG2 MET 36 HG2 MET 36 16.587 17.756 -9.483 280 HG3 MET 36 HG3 MET 36 15.445 17.020 -8.374 281 HE1 MET 36 HE1 MET 36 13.848 15.162 -8.863 282 HE2 MET 36 HE2 MET 36 12.850 16.370 -9.705 283 HE3 MET 36 HE3 MET 36 13.180 14.802 -10.472 284 H GLU 37 H GLU 37 14.588 21.960 -9.246 285 HA GLU 37 HA GLU 37 12.027 22.606 -10.395 286 HB2 GLU 37 HB2 GLU 37 12.889 23.455 -8.229 287 HB3 GLU 37 HB3 GLU 37 14.103 24.415 -9.084 288 HG2 GLU 37 HG2 GLU 37 12.316 25.710 -10.193 289 HG3 GLU 37 HG3 GLU 37 11.088 24.692 -9.440 290 H SER 38 H SER 38 15.376 23.590 -11.288 291 HA SER 38 HA SER 38 14.686 25.297 -13.458 292 HB2 SER 38 HB2 SER 38 16.889 25.191 -12.352 293 HB3 SER 38 HB3 SER 38 17.157 23.578 -13.020 294 HG SER 38 HG SER 38 16.857 26.012 -14.489 295 H THR 39 H THR 39 14.952 21.716 -13.376 296 HA THR 39 HA THR 39 14.659 21.603 -16.337 297 HB THR 39 HB THR 39 15.241 19.285 -16.176 298 HG1 THR 39 HG1 THR 39 15.673 18.337 -14.190 299 HG21 THR 39 HG21 THR 39 17.105 21.008 -14.504 300 HG22 THR 39 HG22 THR 39 17.506 19.465 -15.245 301 HG23 THR 39 HG23 THR 39 17.091 20.858 -16.262 302 H GLY 40 H GLY 40 12.441 21.760 -13.856 303 HA2 GLY 40 HA2 GLY 40 10.175 21.320 -13.833 304 HA3 GLY 40 HA3 GLY 40 10.281 20.682 -15.480 305 H GLY 41 H GLY 41 12.209 19.461 -12.765 306 HA2 GLY 41 HA2 GLY 41 12.012 17.571 -11.467 307 HA3 GLY 41 HA3 GLY 41 10.480 17.152 -12.239 308 H ARG 42 H ARG 42 13.115 17.708 -14.484 309 HA ARG 42 HA ARG 42 13.115 14.814 -15.172 310 HB2 ARG 42 HB2 ARG 42 14.102 17.352 -16.500 311 HB3 ARG 42 HB3 ARG 42 14.727 15.799 -17.031 312 HG2 ARG 42 HG2 ARG 42 11.740 16.340 -16.856 313 HG3 ARG 42 HG3 ARG 42 12.713 16.748 -18.280 314 HD2 ARG 42 HD2 ARG 42 13.495 14.321 -18.334 315 HD3 ARG 42 HD3 ARG 42 12.260 13.959 -17.130 316 HE ARG 42 HE ARG 42 11.893 14.530 -19.972 317 HH11 ARG 42 HH22 ARG 42 10.103 14.528 -16.937 318 HH12 ARG 42 HH21 ARG 42 8.574 14.407 -17.757 319 HH21 ARG 42 HH12 ARG 42 9.909 14.362 -20.923 320 HH22 ARG 42 HH11 ARG 42 8.474 14.327 -19.944 321 H VAL 43 H VAL 43 14.192 13.720 -13.665 322 HA VAL 43 HA VAL 43 16.474 14.454 -12.224 323 HB VAL 43 HB VAL 43 15.661 11.657 -13.108 324 HG11 VAL 43 HG11 VAL 43 17.972 11.607 -12.224 325 HG12 VAL 43 HG12 VAL 43 17.460 12.573 -10.818 326 HG13 VAL 43 HG13 VAL 43 16.858 10.912 -11.053 327 HG21 VAL 43 HG21 VAL 43 14.560 11.513 -10.917 328 HG22 VAL 43 HG22 VAL 43 15.038 13.182 -10.541 329 HG23 VAL 43 HG23 VAL 43 13.871 12.854 -11.843 330 H ARG 44 H ARG 44 16.466 12.726 -15.413 331 HA ARG 44 HA ARG 44 19.289 12.434 -15.558 332 HB2 ARG 44 HB2 ARG 44 18.998 11.932 -17.862 333 HB3 ARG 44 HB3 ARG 44 17.707 11.197 -16.931 334 HG2 ARG 44 HG2 ARG 44 16.158 13.070 -17.676 335 HG3 ARG 44 HG3 ARG 44 17.473 13.673 -18.697 336 HD2 ARG 44 HD2 ARG 44 16.196 10.917 -18.907 337 HD3 ARG 44 HD3 ARG 44 15.834 12.297 -19.937 338 HE ARG 44 HE ARG 44 18.067 12.247 -20.852 339 HH11 ARG 44 HH22 ARG 44 17.253 9.291 -19.128 340 HH12 ARG 44 HH21 ARG 44 18.503 8.382 -19.931 341 HH21 ARG 44 HH11 ARG 44 19.626 11.028 -21.823 342 HH22 ARG 44 HH12 ARG 44 19.803 9.348 -21.423 343 H ILE 45 H ILE 45 17.320 15.231 -16.493 344 HA ILE 45 HA ILE 45 19.617 16.646 -17.659 345 HB ILE 45 HB ILE 45 16.893 17.778 -16.973 346 HG12 ILE 45 HG12 ILE 45 17.847 16.538 -19.595 347 HG13 ILE 45 HG13 ILE 45 16.625 15.864 -18.525 348 HG21 ILE 45 HG21 ILE 45 17.501 19.539 -18.586 349 HG22 ILE 45 HG22 ILE 45 18.780 19.436 -17.391 350 HG23 ILE 45 HG23 ILE 45 19.017 18.696 -18.981 351 HD11 ILE 45 HD11 ILE 45 15.464 16.869 -20.325 352 HD12 ILE 45 HD12 ILE 45 15.204 17.902 -18.906 353 HD13 ILE 45 HD13 ILE 45 16.355 18.390 -20.176 354 H ALA 46 H ALA 46 17.891 16.572 -14.522 355 HA ALA 46 HA ALA 46 19.249 18.826 -13.384 356 HB1 ALA 46 HB1 ALA 46 17.968 16.406 -12.033 357 HB2 ALA 46 HB2 ALA 46 18.410 17.938 -11.246 358 HB3 ALA 46 HB3 ALA 46 17.147 17.914 -12.488 359 H ILE 47 H ILE 47 19.988 15.265 -13.183 360 HA ILE 47 HA ILE 47 22.455 15.728 -11.767 361 HB ILE 47 HB ILE 47 23.018 13.463 -12.076 362 HG12 ILE 47 HG12 ILE 47 20.773 13.261 -14.107 363 HG13 ILE 47 HG13 ILE 47 22.494 13.113 -14.441 364 HG21 ILE 47 HG21 ILE 47 21.238 14.169 -10.452 365 HG22 ILE 47 HG22 ILE 47 20.017 13.619 -11.610 366 HG23 ILE 47 HG23 ILE 47 21.171 12.464 -10.934 367 HD11 ILE 47 HD11 ILE 47 22.556 11.080 -12.951 368 HD12 ILE 47 HD12 ILE 47 20.780 11.176 -12.844 369 HD13 ILE 47 HD13 ILE 47 21.559 10.908 -14.410 370 H ALA 48 H ALA 48 21.754 15.506 -15.310 371 HA ALA 48 HA ALA 48 24.434 15.787 -16.167 372 HB1 ALA 48 HB1 ALA 48 22.563 15.287 -17.659 373 HB2 ALA 48 HB2 ALA 48 21.864 16.893 -17.373 374 HB3 ALA 48 HB3 ALA 48 23.417 16.734 -18.223 375 H LYS 49 H LYS 49 22.127 18.439 -15.241 376 HA LYS 49 HA LYS 49 24.039 20.561 -15.726 377 HB2 LYS 49 HB2 LYS 49 21.436 20.445 -14.139 378 HB3 LYS 49 HB3 LYS 49 22.421 21.905 -14.289 379 HG2 LYS 49 HG2 LYS 49 22.262 21.718 -16.797 380 HG3 LYS 49 HG3 LYS 49 21.162 20.361 -16.596 381 HD2 LYS 49 HD2 LYS 49 19.842 22.304 -17.031 382 HD3 LYS 49 HD3 LYS 49 19.581 21.878 -15.328 383 HE2 LYS 49 HE2 LYS 49 21.111 23.646 -14.587 384 HE3 LYS 49 HE3 LYS 49 21.638 23.936 -16.248 385 HZ1 LYS 49 HZ1 LYS 49 19.399 24.767 -16.759 386 HZ2 LYS 49 HZ2 LYS 49 18.900 24.545 -15.208 387 HZ3 LYS 49 HZ3 LYS 49 20.097 25.618 -15.549 388 H LEU 50 H LEU 50 23.355 18.618 -12.816 389 HA LEU 50 HA LEU 50 25.186 20.089 -11.108 390 HB2 LEU 50 HB2 LEU 50 23.722 17.469 -11.067 391 HB3 LEU 50 HB3 LEU 50 25.184 17.548 -10.107 392 HG LEU 50 HG LEU 50 24.367 19.291 -8.720 393 HD11 LEU 50 HD11 LEU 50 21.942 19.468 -10.545 394 HD12 LEU 50 HD12 LEU 50 22.105 20.285 -8.974 395 HD13 LEU 50 HD13 LEU 50 23.164 20.738 -10.313 396 HD21 LEU 50 HD21 LEU 50 22.425 18.230 -7.720 397 HD22 LEU 50 HD22 LEU 50 22.040 17.381 -9.238 398 HD23 LEU 50 HD23 LEU 50 23.498 16.963 -8.318 399 H LEU 51 H LEU 51 25.684 17.199 -13.228 400 HA LEU 51 HA LEU 51 28.452 16.900 -12.521 401 HB2 LEU 51 HB2 LEU 51 26.790 15.966 -14.892 402 HB3 LEU 51 HB3 LEU 51 28.482 15.528 -14.685 403 HG LEU 51 HG LEU 51 26.367 14.899 -12.579 404 HD11 LEU 51 HD11 LEU 51 25.791 13.788 -14.697 405 HD12 LEU 51 HD12 LEU 51 27.442 13.130 -14.814 406 HD13 LEU 51 HD13 LEU 51 26.362 12.617 -13.502 407 HD21 LEU 51 HD21 LEU 51 28.669 14.846 -11.714 408 HD22 LEU 51 HD22 LEU 51 28.006 13.210 -11.835 409 HD23 LEU 51 HD23 LEU 51 29.162 13.789 -13.058 410 H SER 52 H SER 52 26.905 18.816 -15.142 411 HA SER 52 HA SER 52 29.507 19.801 -16.095 412 HB2 SER 52 HB2 SER 52 28.271 21.127 -17.619 413 HB3 SER 52 HB3 SER 52 27.526 19.515 -17.592 414 HG SER 52 HG SER 52 25.931 21.152 -17.474 415 H LYS 53 H LYS 53 27.768 20.523 -13.339 416 HA LYS 53 HA LYS 53 27.152 22.353 -12.159 417 HB2 LYS 53 HB2 LYS 53 29.069 23.622 -11.281 418 HB3 LYS 53 HB3 LYS 53 29.257 21.875 -11.254 419 HG2 LYS 53 HG2 LYS 53 30.702 21.954 -13.264 420 HG3 LYS 53 HG3 LYS 53 30.556 23.711 -13.308 421 HD2 LYS 53 HD2 LYS 53 31.717 22.080 -11.012 422 HD3 LYS 53 HD3 LYS 53 32.671 22.841 -12.292 423 HE2 LYS 53 HE2 LYS 53 31.782 25.082 -11.611 424 HE3 LYS 53 HE3 LYS 53 30.897 24.319 -10.283 425 HZ1 LYS 53 HZ1 LYS 53 33.860 24.291 -10.600 426 HZ2 LYS 53 HZ2 LYS 53 33.039 25.213 -9.535 427 HZ3 LYS 53 HZ3 LYS 53 33.048 23.590 -9.362 428 H GLN 54 H GLN 54 26.339 22.699 -14.733 429 HA GLN 54 HA GLN 54 25.632 24.111 -16.302 430 HB2 GLN 54 HB2 GLN 54 24.440 24.864 -14.183 431 HB3 GLN 54 HB3 GLN 54 25.504 26.271 -14.183 432 HG2 GLN 54 HG2 GLN 54 24.608 26.896 -16.456 433 HG3 GLN 54 HG3 GLN 54 23.610 25.444 -16.446 434 HE21 GLN 54 HE22 GLN 54 24.198 28.478 -14.532 435 HE22 GLN 54 HE21 GLN 54 22.514 28.636 -14.055 436 H THR 55 H THR 55 28.389 23.823 -16.386 437 HA THR 55 HA THR 55 29.274 26.463 -17.511 438 HB THR 55 HB THR 55 31.557 25.707 -17.321 439 HG1 THR 55 HG1 THR 55 30.470 23.396 -16.076 440 HG21 THR 55 HG21 THR 55 30.020 25.428 -14.719 441 HG22 THR 55 HG22 THR 55 31.770 25.706 -14.876 442 HG23 THR 55 HG23 THR 55 30.613 26.927 -15.444 443 H SER 56 H SER 56 28.121 23.480 -18.617 444 HA SER 56 HA SER 56 28.904 24.189 -21.362 445 HB2 SER 56 HB2 SER 56 29.649 21.927 -21.927 446 HB3 SER 56 HB3 SER 56 30.698 22.677 -20.719 447 HG SER 56 HG SER 56 30.171 20.481 -20.204 448 H GLY 57 H GLY 57 27.628 23.191 -23.000 449 HA2 GLY 57 HA2 GLY 57 25.611 21.385 -23.007 450 HA3 GLY 57 HA3 GLY 57 24.841 22.745 -22.188 451 H GLY 58 H GLY 58 23.462 22.298 -24.213 452 HA2 GLY 58 HA2 GLY 58 22.492 23.373 -25.993 453 HA3 GLY 58 HA3 GLY 58 23.771 24.588 -25.930 454 H SER 59 H SER 59 24.833 21.304 -26.396 455 HA SER 59 HA SER 59 26.165 21.902 -28.811 456 HB2 SER 59 HB2 SER 59 25.481 19.149 -27.713 457 HB3 SER 59 HB3 SER 59 26.792 19.553 -28.837 458 HG SER 59 HG SER 59 27.554 19.390 -26.672 459 H GLY 60 H GLY 60 22.923 20.614 -28.389 460 HA2 GLY 60 HA2 GLY 60 21.222 20.253 -29.910 461 HA3 GLY 60 HA3 GLY 60 22.248 20.925 -31.171 462 H GLY 61 H GLY 61 20.933 19.209 -32.310 463 HA2 GLY 61 HA2 GLY 61 22.572 17.120 -33.238 464 HA3 GLY 61 HA3 GLY 61 21.486 16.404 -32.044 465 H SER 62 H SER 62 21.383 15.477 -34.584 466 HA SER 62 HA SER 62 19.313 16.805 -36.170 467 HB2 SER 62 HB2 SER 62 19.666 14.894 -37.700 468 HB3 SER 62 HB3 SER 62 21.165 15.748 -37.287 469 HG SER 62 HG SER 62 21.390 13.440 -37.164 470 H LYS 63 H LYS 63 19.310 14.337 -33.719 471 HA LYS 63 HA LYS 63 16.901 12.945 -34.485 472 HB2 LYS 63 HB2 LYS 63 18.743 12.120 -32.918 473 HB3 LYS 63 HB3 LYS 63 18.111 13.230 -31.704 474 HG2 LYS 63 HG2 LYS 63 15.807 11.936 -32.175 475 HG3 LYS 63 HG3 LYS 63 16.885 10.706 -32.848 476 HD2 LYS 63 HD2 LYS 63 18.144 10.755 -30.638 477 HD3 LYS 63 HD3 LYS 63 16.908 11.895 -30.040 478 HE2 LYS 63 HE2 LYS 63 15.141 10.203 -30.448 479 HE3 LYS 63 HE3 LYS 63 16.348 9.076 -31.081 480 HZ1 LYS 63 HZ1 LYS 63 15.846 8.605 -28.749 481 HZ2 LYS 63 HZ2 LYS 63 17.406 9.063 -28.879 482 HZ3 LYS 63 HZ3 LYS 63 16.292 10.106 -28.284 483 H LEU 64 H LEU 64 14.808 13.296 -34.017 484 HA LEU 64 HA LEU 64 13.992 15.122 -31.849 485 HB2 LEU 64 HB2 LEU 64 12.968 15.266 -34.729 486 HB3 LEU 64 HB3 LEU 64 12.142 16.028 -33.377 487 HG LEU 64 HG LEU 64 14.959 16.758 -34.287 488 HD11 LEU 64 HD11 LEU 64 12.302 18.172 -34.747 489 HD12 LEU 64 HD12 LEU 64 13.911 18.776 -35.203 490 HD13 LEU 64 HD13 LEU 64 13.265 17.321 -35.975 491 HD21 LEU 64 HD21 LEU 64 14.555 17.307 -31.899 492 HD22 LEU 64 HD22 LEU 64 14.609 18.771 -32.882 493 HD23 LEU 64 HD23 LEU 64 13.041 18.129 -32.340 494 H GLY 65 H GLY 65 11.855 14.694 -31.052 495 HA2 GLY 65 HA2 GLY 65 11.069 11.895 -31.097 496 HA3 GLY 65 HA3 GLY 65 10.265 13.204 -30.240 497 H GLY 66 H GLY 66 8.935 11.100 -31.562 498 HA2 GLY 66 HA2 GLY 66 7.907 11.966 -34.157 499 HA3 GLY 66 HA3 GLY 66 7.366 10.588 -33.207 500 H SER 67 H SER 67 5.776 12.505 -34.668 501 HA SER 67 HA SER 67 4.098 13.730 -32.517 502 HB2 SER 67 HB2 SER 67 3.910 15.733 -33.932 503 HB3 SER 67 HB3 SER 67 5.585 15.405 -33.469 504 HG SER 67 HG SER 67 5.379 15.909 -35.721 505 H GLY 68 H GLY 68 3.877 11.393 -34.807 506 HA2 GLY 68 HA2 GLY 68 0.992 11.568 -34.980 507 HA3 GLY 68 HA3 GLY 68 1.760 11.940 -36.526 508 H GLY 69 H GLY 69 0.043 9.852 -36.353 509 HA2 GLY 69 HA2 GLY 69 0.998 7.365 -35.447 510 HA3 GLY 69 HA3 GLY 69 -0.326 7.613 -36.584 511 H SER 70 H SER 70 2.103 8.929 -38.291 512 HA SER 70 HA SER 70 2.730 6.590 -39.899 513 HB2 SER 70 HB2 SER 70 4.177 8.195 -41.130 514 HB3 SER 70 HB3 SER 70 2.503 8.744 -40.948 515 HG SER 70 HG SER 70 4.030 10.415 -40.468 516 H ARG 71 H ARG 71 4.067 7.823 -37.004 517 HA ARG 71 HA ARG 71 6.514 6.115 -37.277 518 HB2 ARG 71 HB2 ARG 71 7.078 8.495 -37.484 519 HB3 ARG 71 HB3 ARG 71 6.243 8.860 -35.971 520 HG2 ARG 71 HG2 ARG 71 7.890 7.597 -34.690 521 HG3 ARG 71 HG3 ARG 71 8.681 7.028 -36.180 522 HD2 ARG 71 HD2 ARG 71 9.378 9.267 -36.753 523 HD3 ARG 71 HD3 ARG 71 8.381 9.964 -35.462 524 HE ARG 71 HE ARG 71 10.303 8.096 -34.381 525 HH11 ARG 71 HH11 ARG 71 10.268 11.352 -35.727 526 HH12 ARG 71 HH12 ARG 71 11.532 11.880 -34.630 527 HH21 ARG 71 HH21 ARG 71 11.962 8.899 -33.072 528 HH22 ARG 71 HH22 ARG 71 12.438 10.577 -33.255 529 H LYS 72 H LYS 72 7.149 4.977 -35.447 530 HA LYS 72 HA LYS 72 5.001 4.342 -33.551 531 HB2 LYS 72 HB2 LYS 72 6.455 2.696 -34.894 532 HB3 LYS 72 HB3 LYS 72 7.715 3.007 -33.695 533 HG2 LYS 72 HG2 LYS 72 6.126 2.218 -31.898 534 HG3 LYS 72 HG3 LYS 72 4.876 2.009 -33.124 535 HD2 LYS 72 HD2 LYS 72 5.805 -0.140 -32.601 536 HD3 LYS 72 HD3 LYS 72 6.280 0.284 -34.251 537 HE2 LYS 72 HE2 LYS 72 8.526 0.974 -33.432 538 HE3 LYS 72 HE3 LYS 72 8.035 0.624 -31.770 539 HZ1 LYS 72 HZ1 LYS 72 8.215 -1.398 -33.952 540 HZ2 LYS 72 HZ2 LYS 72 9.291 -1.225 -32.737 541 HZ3 LYS 72 HZ3 LYS 72 7.771 -1.721 -32.412 542 H ASP 73 H ASP 73 5.845 6.892 -33.092 543 HA ASP 73 HA ASP 73 6.649 6.800 -30.290 544 HB2 ASP 73 HB2 ASP 73 8.855 6.880 -31.462 545 HB3 ASP 73 HB3 ASP 73 8.344 8.349 -32.293 546 H LEU 74 H LEU 74 5.818 8.516 -29.147 547 HA LEU 74 HA LEU 74 4.714 10.900 -30.503 548 HB2 LEU 74 HB2 LEU 74 3.091 8.972 -28.783 549 HB3 LEU 74 HB3 LEU 74 2.577 10.615 -29.148 550 HG LEU 74 HG LEU 74 2.997 8.443 -31.247 551 HD11 LEU 74 HD11 LEU 74 0.444 9.586 -30.045 552 HD12 LEU 74 HD12 LEU 74 0.546 8.406 -31.370 553 HD13 LEU 74 HD13 LEU 74 1.100 7.960 -29.750 554 HD21 LEU 74 HD21 LEU 74 1.753 10.010 -32.720 555 HD22 LEU 74 HD22 LEU 74 1.767 11.238 -31.434 556 HD23 LEU 74 HD23 LEU 74 3.285 10.706 -32.195 557 H SER 75 H SER 75 4.570 12.707 -29.144 558 HA SER 75 HA SER 75 6.325 12.920 -26.940 559 HB2 SER 75 HB2 SER 75 5.214 15.120 -26.582 560 HB3 SER 75 HB3 SER 75 5.675 14.831 -28.268 561 HG SER 75 HG SER 75 3.516 15.655 -28.075 562 H VAL 76 H VAL 76 2.877 12.157 -26.962 563 HA VAL 76 HA VAL 76 2.687 12.103 -24.019 564 HB VAL 76 HB VAL 76 0.331 11.517 -24.363 565 HG11 VAL 76 HG11 VAL 76 1.034 13.881 -24.320 566 HG12 VAL 76 HG12 VAL 76 1.195 13.871 -26.090 567 HG13 VAL 76 HG13 VAL 76 -0.393 13.616 -25.335 568 HG21 VAL 76 HG21 VAL 76 -0.680 11.476 -26.577 569 HG22 VAL 76 HG22 VAL 76 0.889 11.712 -27.363 570 HG23 VAL 76 HG23 VAL 76 0.543 10.203 -26.483 571 H LYS 77 H LYS 77 4.069 9.960 -26.033 572 HA LYS 77 HA LYS 77 4.509 7.712 -26.056 573 HB2 LYS 77 HB2 LYS 77 4.486 8.267 -23.064 574 HB3 LYS 77 HB3 LYS 77 5.309 6.924 -23.868 575 HG2 LYS 77 HG2 LYS 77 6.713 8.535 -25.141 576 HG3 LYS 77 HG3 LYS 77 5.918 9.873 -24.314 577 HD2 LYS 77 HD2 LYS 77 8.047 9.459 -23.248 578 HD3 LYS 77 HD3 LYS 77 6.730 9.092 -22.145 579 HE2 LYS 77 HE2 LYS 77 8.405 7.414 -21.855 580 HE3 LYS 77 HE3 LYS 77 7.008 6.650 -22.611 581 HZ1 LYS 77 HZ1 LYS 77 9.121 5.984 -23.664 582 HZ2 LYS 77 HZ2 LYS 77 8.206 6.772 -24.760 583 HZ3 LYS 77 HZ3 LYS 77 9.477 7.524 -24.054 584 H GLY 78 H GLY 78 1.650 7.999 -26.301 585 HA2 GLY 78 HA2 GLY 78 -0.295 6.755 -26.189 586 HA3 GLY 78 HA3 GLY 78 0.731 5.345 -25.896 587 H MET 79 H MET 79 0.700 8.076 -23.669 588 HA MET 79 HA MET 79 0.349 8.280 -21.507 589 HB2 MET 79 HB2 MET 79 -2.057 8.001 -22.414 590 HB3 MET 79 HB3 MET 79 -2.036 6.437 -21.593 591 HG2 MET 79 HG2 MET 79 -1.551 7.619 -19.440 592 HG3 MET 79 HG3 MET 79 -1.500 9.150 -20.312 593 HE1 MET 79 HE1 MET 79 -3.692 6.277 -18.855 594 HE2 MET 79 HE2 MET 79 -5.322 6.665 -19.445 595 HE3 MET 79 HE3 MET 79 -4.092 6.074 -20.577 596 H LEU 80 H LEU 80 2.023 5.959 -22.460 597 HA LEU 80 HA LEU 80 2.089 4.359 -19.945 598 HB2 LEU 80 HB2 LEU 80 1.855 3.062 -22.015 599 HB3 LEU 80 HB3 LEU 80 3.291 3.836 -22.683 600 HG LEU 80 HG LEU 80 4.687 2.801 -20.896 601 HD11 LEU 80 HD11 LEU 80 2.102 1.375 -20.125 602 HD12 LEU 80 HD12 LEU 80 3.726 0.930 -19.561 603 HD13 LEU 80 HD13 LEU 80 3.036 2.487 -19.102 604 HD21 LEU 80 HD21 LEU 80 4.388 1.696 -23.085 605 HD22 LEU 80 HD22 LEU 80 4.587 0.511 -21.783 606 HD23 LEU 80 HD23 LEU 80 2.970 0.826 -22.458 607 H TYR 81 H TYR 81 3.594 4.824 -18.493 608 HA TYR 81 HA TYR 81 6.117 6.213 -19.277 609 HB2 TYR 81 HB2 TYR 81 4.301 6.955 -16.959 610 HB3 TYR 81 HB3 TYR 81 5.866 7.671 -17.307 611 HD1 TYR 81 HD2 TYR 81 6.189 9.008 -19.457 612 HD2 TYR 81 HD1 TYR 81 2.308 7.763 -18.035 613 HE1 TYR 81 HE2 TYR 81 5.098 10.739 -20.892 614 HE2 TYR 81 HE1 TYR 81 1.228 9.496 -19.451 615 HH TYR 81 HH TYR 81 1.549 11.228 -20.948 616 H ASP 82 H ASP 82 7.903 5.866 -17.926 617 HA ASP 82 HA ASP 82 7.745 3.747 -15.854 618 HB2 ASP 82 HB2 ASP 82 8.000 2.643 -18.060 619 HB3 ASP 82 HB3 ASP 82 9.465 3.576 -18.354 620 H SER 83 H SER 83 8.069 6.156 -15.007 621 HA SER 83 HA SER 83 10.905 6.361 -14.182 622 HB2 SER 83 HB2 SER 83 10.671 7.846 -16.148 623 HB3 SER 83 HB3 SER 83 9.365 8.722 -15.320 624 HG SER 83 HG SER 83 11.586 9.612 -15.136 625 H ASP 84 H ASP 84 11.246 7.440 -12.253 626 HA ASP 84 HA ASP 84 8.878 7.745 -10.459 627 HB2 ASP 84 HB2 ASP 84 11.818 7.301 -9.824 628 HB3 ASP 84 HB3 ASP 84 10.545 7.521 -8.624 629 H SER 85 H SER 85 10.279 9.788 -12.436 630 HA SER 85 HA SER 85 11.696 11.786 -11.248 631 HB2 SER 85 HB2 SER 85 10.638 13.305 -12.982 632 HB3 SER 85 HB3 SER 85 11.243 11.771 -13.615 633 HG SER 85 HG SER 85 9.135 12.211 -14.409 634 H GLN 86 H GLN 86 8.093 11.750 -11.266 635 HA GLN 86 HA GLN 86 7.855 14.198 -9.773 636 HB2 GLN 86 HB2 GLN 86 5.869 11.924 -10.213 637 HB3 GLN 86 HB3 GLN 86 5.472 13.490 -9.493 638 HG2 GLN 86 HG2 GLN 86 6.234 14.638 -11.583 639 HG3 GLN 86 HG3 GLN 86 6.522 13.064 -12.328 640 HE21 GLN 86 HE22 GLN 86 4.592 11.616 -12.677 641 HE22 GLN 86 HE21 GLN 86 3.015 12.377 -12.808 642 H GLN 87 H GLN 87 8.014 10.781 -8.665 643 HA GLN 87 HA GLN 87 7.387 11.549 -5.914 644 HB2 GLN 87 HB2 GLN 87 6.868 9.302 -7.055 645 HB3 GLN 87 HB3 GLN 87 8.580 8.920 -6.851 646 HG2 GLN 87 HG2 GLN 87 7.356 7.955 -5.001 647 HG3 GLN 87 HG3 GLN 87 8.297 9.296 -4.353 648 HE21 GLN 87 HE22 GLN 87 4.967 8.281 -5.308 649 HE22 GLN 87 HE21 GLN 87 4.179 9.525 -4.351 650 H ILE 88 H ILE 88 10.366 10.909 -7.778 651 HA ILE 88 HA ILE 88 12.248 11.247 -5.632 652 HB ILE 88 HB ILE 88 12.412 11.843 -8.611 653 HG12 ILE 88 HG12 ILE 88 12.130 9.428 -7.885 654 HG13 ILE 88 HG13 ILE 88 13.520 9.793 -8.892 655 HG21 ILE 88 HG21 ILE 88 14.102 13.256 -7.612 656 HG22 ILE 88 HG22 ILE 88 14.653 11.951 -6.551 657 HG23 ILE 88 HG23 ILE 88 14.914 11.851 -8.308 658 HD11 ILE 88 HD11 ILE 88 13.965 8.179 -7.038 659 HD12 ILE 88 HD12 ILE 88 15.041 9.584 -7.024 660 HD13 ILE 88 HD13 ILE 88 13.693 9.480 -5.869 661 H LEU 89 H LEU 89 10.769 13.703 -7.875 662 HA LEU 89 HA LEU 89 11.902 15.948 -6.531 663 HB2 LEU 89 HB2 LEU 89 10.876 16.070 -8.775 664 HB3 LEU 89 HB3 LEU 89 9.308 15.650 -8.120 665 HG LEU 89 HG LEU 89 9.156 17.771 -6.918 666 HD11 LEU 89 HD11 LEU 89 11.908 18.378 -8.080 667 HD12 LEU 89 HD12 LEU 89 10.849 19.568 -7.296 668 HD13 LEU 89 HD13 LEU 89 11.505 18.235 -6.353 669 HD21 LEU 89 HD21 LEU 89 9.021 19.270 -8.851 670 HD22 LEU 89 HD22 LEU 89 10.040 18.174 -9.806 671 HD23 LEU 89 HD23 LEU 89 8.424 17.660 -9.273 672 H ASN 90 H ASN 90 8.718 14.328 -5.927 673 HA ASN 90 HA ASN 90 7.862 16.086 -3.919 674 HB2 ASN 90 HB2 ASN 90 6.490 14.305 -5.032 675 HB3 ASN 90 HB3 ASN 90 7.385 13.080 -4.128 676 HD21 ASN 90 HD22 ASN 90 5.691 12.265 -2.893 677 HD22 ASN 90 HD21 ASN 90 4.795 13.263 -1.740 678 H ARG 91 H ARG 91 9.803 13.049 -3.410 679 HA ARG 91 HA ARG 91 10.006 13.570 -0.549 680 HB2 ARG 91 HB2 ARG 91 9.985 11.333 -1.531 681 HB3 ARG 91 HB3 ARG 91 11.539 11.611 -2.317 682 HG2 ARG 91 HG2 ARG 91 12.707 11.695 -0.220 683 HG3 ARG 91 HG3 ARG 91 11.214 11.903 0.701 684 HD2 ARG 91 HD2 ARG 91 11.892 9.373 -0.857 685 HD3 ARG 91 HD3 ARG 91 12.248 9.590 0.853 686 HE ARG 91 HE ARG 91 9.599 9.173 -0.395 687 HH11 ARG 91 HH12 ARG 91 11.179 10.095 2.611 688 HH12 ARG 91 HH11 ARG 91 9.738 9.829 3.546 689 HH21 ARG 91 HH21 ARG 91 7.773 8.951 0.868 690 HH22 ARG 91 HH22 ARG 91 7.878 9.179 2.580 691 H LEU 92 H LEU 92 12.097 14.427 -3.305 692 HA LEU 92 HA LEU 92 14.270 15.427 -1.673 693 HB2 LEU 92 HB2 LEU 92 14.438 14.844 -4.076 694 HB3 LEU 92 HB3 LEU 92 13.316 16.143 -4.478 695 HG LEU 92 HG LEU 92 14.989 17.812 -3.657 696 HD11 LEU 92 HD11 LEU 92 16.276 16.427 -2.066 697 HD12 LEU 92 HD12 LEU 92 16.822 15.387 -3.407 698 HD13 LEU 92 HD13 LEU 92 17.327 17.089 -3.321 699 HD21 LEU 92 HD21 LEU 92 15.921 15.829 -5.774 700 HD22 LEU 92 HD22 LEU 92 14.851 17.229 -6.026 701 HD23 LEU 92 HD23 LEU 92 16.548 17.469 -5.568 702 H ARG 93 H ARG 93 11.240 16.919 -2.905 703 HA ARG 93 HA ARG 93 11.798 19.583 -1.904 704 HB2 ARG 93 HB2 ARG 93 10.220 19.063 -3.746 705 HB3 ARG 93 HB3 ARG 93 9.210 18.165 -2.623 706 HG2 ARG 93 HG2 ARG 93 9.084 20.475 -1.313 707 HG3 ARG 93 HG3 ARG 93 9.679 21.159 -2.819 708 HD2 ARG 93 HD2 ARG 93 7.202 21.275 -2.648 709 HD3 ARG 93 HD3 ARG 93 7.731 20.323 -4.030 710 HE ARG 93 HE ARG 93 6.528 18.568 -3.193 711 HH11 ARG 93 HH11 ARG 93 7.134 20.551 -0.315 712 HH12 ARG 93 HH12 ARG 93 6.617 19.212 0.719 713 HH21 ARG 93 HH21 ARG 93 5.856 16.999 -1.647 714 HH22 ARG 93 HH22 ARG 93 5.913 17.509 0.038 715 H GLU 94 H GLU 94 10.025 16.766 -0.469 716 HA GLU 94 HA GLU 94 9.369 18.088 1.988 717 HB2 GLU 94 HB2 GLU 94 10.003 15.180 1.364 718 HB3 GLU 94 HB3 GLU 94 9.459 15.724 2.945 719 HG2 GLU 94 HG2 GLU 94 7.901 16.159 0.369 720 HG3 GLU 94 HG3 GLU 94 7.656 14.788 1.444 721 H ARG 95 H ARG 95 12.304 16.105 1.192 722 HA ARG 95 HA ARG 95 13.582 16.519 3.701 723 HB2 ARG 95 HB2 ARG 95 14.114 14.728 2.126 724 HB3 ARG 95 HB3 ARG 95 14.759 15.882 0.954 725 HG2 ARG 95 HG2 ARG 95 16.643 16.410 2.315 726 HG3 ARG 95 HG3 ARG 95 15.925 15.686 3.764 727 HD2 ARG 95 HD2 ARG 95 16.684 14.092 1.285 728 HD3 ARG 95 HD3 ARG 95 17.758 14.327 2.680 729 HE ARG 95 HE ARG 95 15.514 13.391 3.896 730 HH11 ARG 95 HH11 ARG 95 17.469 11.959 1.306 731 HH12 ARG 95 HH12 ARG 95 16.853 10.351 1.736 732 HH21 ARG 95 HH21 ARG 95 14.948 11.246 4.317 733 HH22 ARG 95 HH22 ARG 95 15.626 10.002 3.256 734 H VAL 96 H VAL 96 13.784 18.519 0.753 735 HA VAL 96 HA VAL 96 15.846 20.249 1.945 736 HB VAL 96 HB VAL 96 14.380 20.291 -0.711 737 HG11 VAL 96 HG11 VAL 96 16.642 22.094 0.269 738 HG12 VAL 96 HG12 VAL 96 16.104 21.951 -1.419 739 HG13 VAL 96 HG13 VAL 96 15.007 22.610 -0.219 740 HG21 VAL 96 HG21 VAL 96 16.573 19.580 -1.570 741 HG22 VAL 96 HG22 VAL 96 17.278 19.678 0.053 742 HG23 VAL 96 HG23 VAL 96 16.061 18.444 -0.330 743 H SER 97 H SER 97 12.385 20.617 1.053 744 HA SER 97 HA SER 97 12.447 23.381 2.104 745 HB2 SER 97 HB2 SER 97 10.389 22.089 0.310 746 HB3 SER 97 HB3 SER 97 10.544 23.799 0.723 747 HG SER 97 HG SER 97 11.528 23.467 -1.269 748 H GLY 98 H GLY 98 11.220 20.294 3.167 749 HA2 GLY 98 HA2 GLY 98 8.807 21.191 4.459 750 HA3 GLY 98 HA3 GLY 98 9.709 19.719 4.809 751 H SER 99 H SER 99 8.394 21.610 6.651 752 HA SER 99 HA SER 99 10.530 22.979 8.118 753 HB2 SER 99 HB2 SER 99 8.713 23.701 9.612 754 HB3 SER 99 HB3 SER 99 8.411 24.088 7.911 755 HG SER 99 HG SER 99 6.545 23.193 8.920 756 H THR 100 H THR 100 10.993 22.646 10.360 757 HA THR 100 HA THR 100 11.064 19.782 11.127 758 HB THR 100 HB THR 100 12.830 20.545 12.711 759 HG1 THR 100 HG1 THR 100 13.592 22.660 12.480 760 HG21 THR 100 HG21 THR 100 13.419 19.746 10.436 761 HG22 THR 100 HG22 THR 100 13.311 21.412 9.821 762 HG23 THR 100 HG23 THR 100 14.546 20.981 11.025 763 H ALA 101 H ALA 101 9.110 22.409 11.954 764 HA ALA 101 HA ALA 101 8.953 22.029 14.805 765 HB1 ALA 101 HB1 ALA 101 8.452 24.169 13.702 766 HB2 ALA 101 HB2 ALA 101 7.055 23.433 12.876 767 HB3 ALA 101 HB3 ALA 101 7.063 23.594 14.643 768 H GLN 102 H GLN 102 7.196 21.266 16.052 769 HA GLN 102 HA GLN 102 5.091 19.610 14.856 770 HB2 GLN 102 HB2 GLN 102 5.645 17.604 16.116 771 HB3 GLN 102 HB3 GLN 102 6.959 17.998 15.022 772 HG2 GLN 102 HG2 GLN 102 8.360 18.785 16.814 773 HG3 GLN 102 HG3 GLN 102 7.018 18.819 17.960 774 HE21 GLN 102 HE22 GLN 102 6.056 16.743 18.675 775 HE22 GLN 102 HE21 GLN 102 7.081 15.308 18.640 776 H SER 103 H SER 103 3.635 18.699 16.558 777 HA SER 103 HA SER 103 2.214 18.922 18.302 778 HB2 SER 103 HB2 SER 103 4.755 19.492 19.847 779 HB3 SER 103 HB3 SER 103 3.260 18.793 20.484 780 HG SER 103 HG SER 103 3.597 16.953 19.237 781 H ALA 104 H ALA 104 2.396 21.379 16.854 782 HA ALA 104 HA ALA 104 1.321 23.268 18.868 783 HB1 ALA 104 HB1 ALA 104 2.627 25.121 17.885 784 HB2 ALA 104 HB2 ALA 104 3.697 23.885 18.579 785 HB3 ALA 104 HB3 ALA 104 3.467 23.979 16.818 Start of MODEL 19 1 H1 SER 1 H1 SER 1 28.972 -2.120 12.562 2 H2 SER 1 H2 SER 1 28.746 -1.359 13.997 3 H3 SER 1 H3 SER 1 28.550 -2.983 13.890 4 HA SER 1 HA SER 1 26.880 -0.936 12.576 5 HB2 SER 1 HB2 SER 1 26.536 -3.961 12.500 6 HB3 SER 1 HB3 SER 1 25.474 -2.753 11.749 7 HG SER 1 HG SER 1 27.015 -3.602 10.259 8 H VAL 2 H VAL 2 24.670 -0.811 13.341 9 HA VAL 2 HA VAL 2 24.099 -1.954 16.036 10 HB VAL 2 HB VAL 2 23.097 0.176 16.756 11 HG11 VAL 2 HG11 VAL 2 26.053 0.469 16.106 12 HG12 VAL 2 HG12 VAL 2 25.146 1.298 17.386 13 HG13 VAL 2 HG13 VAL 2 25.380 -0.456 17.466 14 HG21 VAL 2 HG21 VAL 2 22.740 1.282 14.560 15 HG22 VAL 2 HG22 VAL 2 23.657 2.295 15.678 16 HG23 VAL 2 HG23 VAL 2 24.502 1.454 14.368 17 H SER 3 H SER 3 21.846 -2.033 16.601 18 HA SER 3 HA SER 3 20.108 -2.717 14.373 19 HB2 SER 3 HB2 SER 3 20.085 -3.855 16.603 20 HB3 SER 3 HB3 SER 3 19.378 -2.384 17.303 21 HG SER 3 HG SER 3 17.786 -3.961 16.650 22 H ILE 4 H ILE 4 18.154 -1.766 13.805 23 HA ILE 4 HA ILE 4 17.655 1.078 14.431 24 HB ILE 4 HB ILE 4 17.456 1.433 11.851 25 HG12 ILE 4 HG12 ILE 4 19.114 0.380 10.460 26 HG13 ILE 4 HG13 ILE 4 19.683 -0.646 11.771 27 HG21 ILE 4 HG21 ILE 4 19.718 2.326 11.788 28 HG22 ILE 4 HG22 ILE 4 18.989 2.631 13.370 29 HG23 ILE 4 HG23 ILE 4 20.190 1.333 13.178 30 HD11 ILE 4 HD11 ILE 4 16.877 -0.815 10.595 31 HD12 ILE 4 HD12 ILE 4 18.256 -1.801 10.065 32 HD13 ILE 4 HD13 ILE 4 17.658 -1.966 11.719 33 H LEU 5 H LEU 5 15.662 1.915 13.486 34 HA LEU 5 HA LEU 5 13.474 -0.020 13.754 35 HB2 LEU 5 HB2 LEU 5 13.452 2.965 13.163 36 HB3 LEU 5 HB3 LEU 5 12.031 1.983 13.503 37 HG LEU 5 HG LEU 5 14.305 2.539 15.458 38 HD11 LEU 5 HD11 LEU 5 12.627 3.882 16.644 39 HD12 LEU 5 HD12 LEU 5 12.860 4.489 14.996 40 HD13 LEU 5 HD13 LEU 5 11.421 3.522 15.389 41 HD21 LEU 5 HD21 LEU 5 11.684 1.026 15.858 42 HD22 LEU 5 HD22 LEU 5 13.327 0.346 15.957 43 HD23 LEU 5 HD23 LEU 5 12.793 1.522 17.154 44 H ARG 6 H ARG 6 11.806 -0.346 12.239 45 HA ARG 6 HA ARG 6 12.738 -0.623 9.459 46 HB2 ARG 6 HB2 ARG 6 10.130 -1.431 10.823 47 HB3 ARG 6 HB3 ARG 6 10.538 -1.775 9.139 48 HG2 ARG 6 HG2 ARG 6 12.528 -3.085 9.876 49 HG3 ARG 6 HG3 ARG 6 12.116 -2.752 11.563 50 HD2 ARG 6 HD2 ARG 6 11.334 -4.951 11.057 51 HD3 ARG 6 HD3 ARG 6 9.926 -3.891 11.240 52 HE ARG 6 HE ARG 6 10.774 -4.092 8.467 53 HH11 ARG 6 HH11 ARG 6 8.993 -5.915 10.870 54 HH12 ARG 6 HH12 ARG 6 8.062 -6.769 9.669 55 HH21 ARG 6 HH21 ARG 6 9.561 -5.222 6.985 56 HH22 ARG 6 HH22 ARG 6 8.391 -6.387 7.522 57 H SER 7 H SER 7 11.576 0.061 7.623 58 HA SER 7 HA SER 7 9.639 2.276 7.853 59 HB2 SER 7 HB2 SER 7 11.963 3.289 7.875 60 HB3 SER 7 HB3 SER 7 12.194 2.631 6.242 61 HG SER 7 HG SER 7 11.397 4.835 6.285 62 H SER 8 H SER 8 8.710 2.858 5.720 63 HA SER 8 HA SER 8 7.815 0.516 4.338 64 HB2 SER 8 HB2 SER 8 7.503 3.456 3.619 65 HB3 SER 8 HB3 SER 8 6.601 2.116 2.886 66 HG SER 8 HG SER 8 5.439 3.120 4.615 67 H VAL 9 H VAL 9 8.715 -0.578 2.695 68 HA VAL 9 HA VAL 9 11.252 0.119 1.635 69 HB VAL 9 HB VAL 9 9.267 -1.918 0.554 70 HG11 VAL 9 HG11 VAL 9 11.045 -1.519 -1.096 71 HG12 VAL 9 HG12 VAL 9 12.286 -1.679 0.163 72 HG13 VAL 9 HG13 VAL 9 11.297 -3.075 -0.314 73 HG21 VAL 9 HG21 VAL 9 10.579 -3.542 1.896 74 HG22 VAL 9 HG22 VAL 9 11.546 -2.209 2.567 75 HG23 VAL 9 HG23 VAL 9 9.814 -2.338 2.932 76 H ASN 10 H ASN 10 8.025 0.546 0.183 77 HA ASN 10 HA ASN 10 8.719 1.480 -2.384 78 HB2 ASN 10 HB2 ASN 10 6.427 1.031 -1.752 79 HB3 ASN 10 HB3 ASN 10 6.475 2.212 -0.443 80 HD21 ASN 10 HD22 ASN 10 6.194 4.446 -0.909 81 HD22 ASN 10 HD21 ASN 10 5.724 4.974 -2.524 82 H HIS 11 H HIS 11 8.489 3.359 0.656 83 HA HIS 11 HA HIS 11 9.259 5.869 -0.592 84 HB2 HIS 11 HB2 HIS 11 9.019 5.073 2.340 85 HB3 HIS 11 HB3 HIS 11 9.167 6.712 1.720 86 HD2 HIS 11 HD2 HIS 11 6.921 7.953 1.604 87 HE1 HIS 11 HE1 HIS 11 4.249 4.671 1.074 88 HE2 HIS 11 HE2 HIS 11 4.409 7.198 1.352 89 H ARG 12 H ARG 12 10.953 3.472 1.513 90 HA ARG 12 HA ARG 12 13.408 4.904 1.647 91 HB2 ARG 12 HB2 ARG 12 12.921 3.081 3.179 92 HB3 ARG 12 HB3 ARG 12 12.853 1.927 1.841 93 HG2 ARG 12 HG2 ARG 12 14.970 1.753 3.113 94 HG3 ARG 12 HG3 ARG 12 15.207 2.119 1.413 95 HD2 ARG 12 HD2 ARG 12 15.478 4.602 2.153 96 HD3 ARG 12 HD3 ARG 12 15.579 3.963 3.801 97 HE ARG 12 HE ARG 12 17.380 2.469 2.228 98 HH11 ARG 12 HH11 ARG 12 17.181 5.931 3.022 99 HH12 ARG 12 HH12 ARG 12 18.913 6.047 3.067 100 HH21 ARG 12 HH21 ARG 12 19.457 2.907 1.786 101 HH22 ARG 12 HH22 ARG 12 20.193 4.371 2.399 102 H GLU 13 H GLU 13 12.258 2.644 -0.908 103 HA GLU 13 HA GLU 13 14.732 2.488 -2.292 104 HB2 GLU 13 HB2 GLU 13 12.752 1.082 -2.699 105 HB3 GLU 13 HB3 GLU 13 11.897 2.460 -3.402 106 HG2 GLU 13 HG2 GLU 13 13.554 2.591 -5.222 107 HG3 GLU 13 HG3 GLU 13 14.523 1.322 -4.462 108 H VAL 14 H VAL 14 12.135 4.982 -2.597 109 HA VAL 14 HA VAL 14 13.557 6.517 -4.613 110 HB VAL 14 HB VAL 14 11.343 7.402 -2.726 111 HG11 VAL 14 HG11 VAL 14 12.521 9.293 -3.896 112 HG12 VAL 14 HG12 VAL 14 12.169 8.507 -5.452 113 HG13 VAL 14 HG13 VAL 14 10.850 9.097 -4.422 114 HG21 VAL 14 HG21 VAL 14 11.157 6.270 -5.555 115 HG22 VAL 14 HG22 VAL 14 10.606 5.456 -4.074 116 HG23 VAL 14 HG23 VAL 14 9.811 6.933 -4.602 117 H ASP 15 H ASP 15 13.353 6.757 -1.036 118 HA ASP 15 HA ASP 15 14.962 9.104 -0.699 119 HB2 ASP 15 HB2 ASP 15 13.529 8.186 1.023 120 HB3 ASP 15 HB3 ASP 15 14.416 6.662 1.007 121 H GLU 16 H GLU 16 15.908 5.631 -0.752 122 HA GLU 16 HA GLU 16 18.727 6.033 -0.521 123 HB2 GLU 16 HB2 GLU 16 17.572 3.892 -0.121 124 HB3 GLU 16 HB3 GLU 16 17.129 3.776 -1.823 125 HG2 GLU 16 HG2 GLU 16 19.394 3.521 -2.519 126 HG3 GLU 16 HG3 GLU 16 20.027 4.036 -0.949 127 H ALA 17 H ALA 17 16.602 5.834 -3.438 128 HA ALA 17 HA ALA 17 18.766 5.981 -5.266 129 HB1 ALA 17 HB1 ALA 17 15.855 6.856 -5.590 130 HB2 ALA 17 HB2 ALA 17 17.011 6.649 -6.919 131 HB3 ALA 17 HB3 ALA 17 16.524 5.249 -5.946 132 H ILE 18 H ILE 18 16.819 8.571 -3.683 133 HA ILE 18 HA ILE 18 18.139 10.833 -4.868 134 HB ILE 18 HB ILE 18 16.689 10.382 -2.249 135 HG12 ILE 18 HG12 ILE 18 16.076 12.266 -4.559 136 HG13 ILE 18 HG13 ILE 18 15.570 10.574 -4.564 137 HG21 ILE 18 HG21 ILE 18 18.017 12.996 -3.121 138 HG22 ILE 18 HG22 ILE 18 16.808 12.858 -1.831 139 HG23 ILE 18 HG23 ILE 18 18.356 12.066 -1.645 140 HD11 ILE 18 HD11 ILE 18 14.716 12.653 -2.517 141 HD12 ILE 18 HD12 ILE 18 13.744 11.947 -3.818 142 HD13 ILE 18 HD13 ILE 18 14.294 10.923 -2.475 143 H ASP 19 H ASP 19 19.011 9.010 -1.834 144 HA ASP 19 HA ASP 19 21.349 10.557 -1.319 145 HB2 ASP 19 HB2 ASP 19 20.246 9.057 0.308 146 HB3 ASP 19 HB3 ASP 19 20.750 7.657 -0.629 147 H ASN 20 H ASN 20 20.987 7.574 -3.303 148 HA ASN 20 HA ASN 20 23.749 7.291 -3.957 149 HB2 ASN 20 HB2 ASN 20 22.058 5.513 -4.233 150 HB3 ASN 20 HB3 ASN 20 21.233 6.463 -5.469 151 HD21 ASN 20 HD22 ASN 20 24.260 4.686 -4.739 152 HD22 ASN 20 HD21 ASN 20 24.712 4.506 -6.426 153 H ILE 21 H ILE 21 21.121 9.073 -5.688 154 HA ILE 21 HA ILE 21 22.789 10.073 -7.811 155 HB ILE 21 HB ILE 21 20.171 11.013 -6.589 156 HG12 ILE 21 HG12 ILE 21 20.784 10.032 -9.411 157 HG13 ILE 21 HG13 ILE 21 20.385 8.921 -8.101 158 HG21 ILE 21 HG21 ILE 21 21.214 13.075 -7.308 159 HG22 ILE 21 HG22 ILE 21 21.790 12.321 -8.812 160 HG23 ILE 21 HG23 ILE 21 20.065 12.632 -8.555 161 HD11 ILE 21 HD11 ILE 21 18.380 9.374 -9.373 162 HD12 ILE 21 HD12 ILE 21 18.209 10.090 -7.760 163 HD13 ILE 21 HD13 ILE 21 18.568 11.119 -9.162 164 H LEU 22 H LEU 22 21.904 11.484 -4.620 165 HA LEU 22 HA LEU 22 23.322 13.890 -4.928 166 HB2 LEU 22 HB2 LEU 22 21.538 13.376 -3.284 167 HB3 LEU 22 HB3 LEU 22 22.631 12.270 -2.443 168 HG LEU 22 HG LEU 22 24.089 14.156 -1.820 169 HD11 LEU 22 HD11 LEU 22 23.644 15.721 -3.678 170 HD12 LEU 22 HD12 LEU 22 21.938 15.860 -3.190 171 HD13 LEU 22 HD13 LEU 22 23.235 16.475 -2.140 172 HD21 LEU 22 HD21 LEU 22 21.146 14.575 -1.140 173 HD22 LEU 22 HD22 LEU 22 22.261 13.455 -0.327 174 HD23 LEU 22 HD23 LEU 22 22.533 15.201 -0.220 175 H ARG 23 H ARG 23 24.476 10.751 -3.596 176 HA ARG 23 HA ARG 23 27.164 11.601 -3.053 177 HB2 ARG 23 HB2 ARG 23 26.076 9.543 -2.176 178 HB3 ARG 23 HB3 ARG 23 26.113 8.833 -3.800 179 HG2 ARG 23 HG2 ARG 23 28.588 8.920 -3.791 180 HG3 ARG 23 HG3 ARG 23 28.566 9.709 -2.203 181 HD2 ARG 23 HD2 ARG 23 27.475 7.714 -1.225 182 HD3 ARG 23 HD3 ARG 23 27.468 6.934 -2.822 183 HE ARG 23 HE ARG 23 30.142 7.680 -2.239 184 HH11 ARG 23 HH11 ARG 23 27.813 5.392 -0.956 185 HH12 ARG 23 HH12 ARG 23 29.053 4.306 -0.394 186 HH21 ARG 23 HH21 ARG 23 31.668 6.252 -1.496 187 HH22 ARG 23 HH22 ARG 23 31.186 4.792 -0.694 188 H TYR 24 H TYR 24 25.697 10.216 -6.038 189 HA TYR 24 HA TYR 24 28.149 10.128 -7.507 190 HB2 TYR 24 HB2 TYR 24 26.206 8.762 -8.028 191 HB3 TYR 24 HB3 TYR 24 25.248 10.193 -8.379 192 HD1 TYR 24 HD1 TYR 24 28.725 9.160 -9.487 193 HD2 TYR 24 HD2 TYR 24 24.668 10.106 -10.633 194 HE1 TYR 24 HE1 TYR 24 29.345 8.957 -11.882 195 HE2 TYR 24 HE2 TYR 24 25.289 9.871 -13.026 196 HH TYR 24 HH TYR 24 26.971 9.414 -14.537 197 H THR 25 H THR 25 25.627 12.717 -7.340 198 HA THR 25 HA THR 25 26.925 14.404 -9.313 199 HB THR 25 HB THR 25 25.400 16.162 -8.446 200 HG1 THR 25 HG1 THR 25 24.346 15.900 -6.658 201 HG21 THR 25 HG21 THR 25 23.243 15.031 -8.996 202 HG22 THR 25 HG22 THR 25 24.521 14.712 -10.190 203 HG23 THR 25 HG23 THR 25 24.080 13.472 -9.003 204 H ASN 26 H ASN 26 27.588 13.852 -5.951 205 HA ASN 26 HA ASN 26 28.723 14.925 -4.343 206 HB2 ASN 26 HB2 ASN 26 30.407 15.834 -6.709 207 HB3 ASN 26 HB3 ASN 26 30.870 16.047 -5.028 208 HD21 ASN 26 HD22 ASN 26 30.327 13.567 -7.543 209 HD22 ASN 26 HD21 ASN 26 31.177 12.325 -6.647 210 H SER 27 H SER 27 26.362 16.319 -5.343 211 HA SER 27 HA SER 27 26.992 19.192 -4.825 212 HB2 SER 27 HB2 SER 27 24.771 19.614 -5.752 213 HB3 SER 27 HB3 SER 27 25.764 18.666 -6.861 214 HG SER 27 HG SER 27 23.537 17.843 -5.309 215 H THR 28 H THR 28 25.041 20.318 -3.605 216 HA THR 28 HA THR 28 24.467 18.826 -1.095 217 HB THR 28 HB THR 28 23.570 20.838 -0.206 218 HG1 THR 28 HG1 THR 28 23.705 22.761 -1.609 219 HG21 THR 28 HG21 THR 28 26.074 21.630 -1.748 220 HG22 THR 28 HG22 THR 28 25.474 22.325 -0.228 221 HG23 THR 28 HG23 THR 28 26.073 20.658 -0.259 222 H GLU 29 H GLU 29 22.231 18.727 -0.278 223 HA GLU 29 HA GLU 29 20.401 17.753 -2.285 224 HB2 GLU 29 HB2 GLU 29 18.791 17.544 -0.461 225 HB3 GLU 29 HB3 GLU 29 20.318 16.762 -0.123 226 HG2 GLU 29 HG2 GLU 29 19.745 19.537 0.973 227 HG3 GLU 29 HG3 GLU 29 19.089 18.110 1.740 228 H GLN 30 H GLN 30 20.700 20.947 -0.685 229 HA GLN 30 HA GLN 30 18.306 21.976 -1.936 230 HB2 GLN 30 HB2 GLN 30 19.061 24.163 -1.250 231 HB3 GLN 30 HB3 GLN 30 19.139 23.000 0.066 232 HG2 GLN 30 HG2 GLN 30 21.610 22.820 -0.243 233 HG3 GLN 30 HG3 GLN 30 21.528 23.993 -1.564 234 HE21 GLN 30 HE22 GLN 30 20.798 26.264 -0.990 235 HE22 GLN 30 HE21 GLN 30 21.076 26.798 0.659 236 H GLN 31 H GLN 31 21.738 21.841 -3.042 237 HA GLN 31 HA GLN 31 21.275 23.303 -5.494 238 HB2 GLN 31 HB2 GLN 31 23.279 21.197 -4.637 239 HB3 GLN 31 HB3 GLN 31 23.281 21.859 -6.271 240 HG2 GLN 31 HG2 GLN 31 23.761 24.068 -5.519 241 HG3 GLN 31 HG3 GLN 31 23.446 23.666 -3.835 242 HE21 GLN 31 HE22 GLN 31 25.792 24.875 -4.114 243 HE22 GLN 31 HE21 GLN 31 27.118 23.718 -4.080 244 H PHE 32 H PHE 32 20.933 19.804 -4.655 245 HA PHE 32 HA PHE 32 20.157 19.021 -7.292 246 HB2 PHE 32 HB2 PHE 32 21.034 17.514 -5.560 247 HB3 PHE 32 HB3 PHE 32 19.581 17.758 -4.601 248 HD1 PHE 32 HD1 PHE 32 18.972 17.314 -8.235 249 HD2 PHE 32 HD2 PHE 32 19.572 15.283 -4.476 250 HE1 PHE 32 HE1 PHE 32 17.913 15.290 -9.154 251 HE2 PHE 32 HE2 PHE 32 18.543 13.239 -5.431 252 HZ PHE 32 HZ PHE 32 17.670 13.254 -7.761 253 H LEU 33 H LEU 33 18.117 20.013 -4.471 254 HA LEU 33 HA LEU 33 15.634 19.757 -5.830 255 HB2 LEU 33 HB2 LEU 33 15.930 19.970 -3.413 256 HB3 LEU 33 HB3 LEU 33 16.489 21.625 -3.572 257 HG LEU 33 HG LEU 33 14.144 21.285 -2.697 258 HD11 LEU 33 HD11 LEU 33 14.899 23.447 -3.688 259 HD12 LEU 33 HD12 LEU 33 14.149 22.963 -5.230 260 HD13 LEU 33 HD13 LEU 33 13.157 23.149 -3.783 261 HD21 LEU 33 HD21 LEU 33 12.332 20.812 -4.238 262 HD22 LEU 33 HD22 LEU 33 13.450 20.619 -5.593 263 HD23 LEU 33 HD23 LEU 33 13.470 19.450 -4.256 264 H GLU 34 H GLU 34 17.820 22.588 -5.616 265 HA GLU 34 HA GLU 34 16.263 24.326 -7.254 266 HB2 GLU 34 HB2 GLU 34 18.133 25.030 -5.794 267 HB3 GLU 34 HB3 GLU 34 19.280 24.216 -6.861 268 HG2 GLU 34 HG2 GLU 34 18.670 25.730 -8.708 269 HG3 GLU 34 HG3 GLU 34 17.425 26.484 -7.708 270 H ALA 35 H ALA 35 18.786 21.947 -8.190 271 HA ALA 35 HA ALA 35 18.720 22.535 -10.977 272 HB1 ALA 35 HB1 ALA 35 19.821 20.343 -11.230 273 HB2 ALA 35 HB2 ALA 35 20.533 21.275 -9.901 274 HB3 ALA 35 HB3 ALA 35 19.414 19.931 -9.551 275 H MET 36 H MET 36 16.754 20.107 -9.096 276 HA MET 36 HA MET 36 15.262 19.267 -11.434 277 HB2 MET 36 HB2 MET 36 14.447 19.187 -8.491 278 HB3 MET 36 HB3 MET 36 13.588 18.427 -9.829 279 HG2 MET 36 HG2 MET 36 15.785 17.178 -10.334 280 HG3 MET 36 HG3 MET 36 16.312 17.723 -8.738 281 HE1 MET 36 HE1 MET 36 13.072 14.566 -9.690 282 HE2 MET 36 HE2 MET 36 12.899 16.232 -10.282 283 HE3 MET 36 HE3 MET 36 14.260 15.231 -10.831 284 H GLU 37 H GLU 37 14.593 21.902 -9.052 285 HA GLU 37 HA GLU 37 12.083 22.598 -10.223 286 HB2 GLU 37 HB2 GLU 37 12.890 23.230 -7.963 287 HB3 GLU 37 HB3 GLU 37 14.027 24.374 -8.694 288 HG2 GLU 37 HG2 GLU 37 12.177 25.686 -9.612 289 HG3 GLU 37 HG3 GLU 37 11.013 24.451 -9.129 290 H SER 38 H SER 38 15.387 23.892 -10.963 291 HA SER 38 HA SER 38 14.420 25.705 -12.986 292 HB2 SER 38 HB2 SER 38 17.189 24.622 -12.382 293 HB3 SER 38 HB3 SER 38 16.841 25.872 -13.598 294 HG SER 38 HG SER 38 17.398 26.815 -11.573 295 H THR 39 H THR 39 15.245 22.267 -13.164 296 HA THR 39 HA THR 39 15.275 22.380 -16.144 297 HB THR 39 HB THR 39 15.956 20.039 -16.073 298 HG1 THR 39 HG1 THR 39 16.270 20.356 -13.296 299 HG21 THR 39 HG21 THR 39 18.196 20.366 -15.049 300 HG22 THR 39 HG22 THR 39 17.717 21.706 -16.112 301 HG23 THR 39 HG23 THR 39 17.651 21.901 -14.354 302 H GLY 40 H GLY 40 12.832 22.217 -13.935 303 HA2 GLY 40 HA2 GLY 40 10.576 22.016 -14.500 304 HA3 GLY 40 HA3 GLY 40 10.991 21.222 -16.018 305 H GLY 41 H GLY 41 12.392 19.984 -13.073 306 HA2 GLY 41 HA2 GLY 41 11.716 18.326 -11.590 307 HA3 GLY 41 HA3 GLY 41 10.240 18.060 -12.516 308 H ARG 42 H ARG 42 12.794 17.871 -14.744 309 HA ARG 42 HA ARG 42 12.582 14.929 -14.930 310 HB2 ARG 42 HB2 ARG 42 13.974 17.055 -16.554 311 HB3 ARG 42 HB3 ARG 42 14.240 15.312 -16.781 312 HG2 ARG 42 HG2 ARG 42 11.722 15.017 -16.959 313 HG3 ARG 42 HG3 ARG 42 11.582 16.785 -17.061 314 HD2 ARG 42 HD2 ARG 42 13.396 15.107 -18.820 315 HD3 ARG 42 HD3 ARG 42 11.700 15.450 -19.233 316 HE ARG 42 HE ARG 42 13.035 17.921 -18.630 317 HH11 ARG 42 HH12 ARG 42 12.800 15.622 -21.285 318 HH12 ARG 42 HH11 ARG 42 13.034 16.880 -22.478 319 HH21 ARG 42 HH22 ARG 42 13.350 19.441 -20.240 320 HH22 ARG 42 HH21 ARG 42 13.284 18.925 -21.910 321 H VAL 43 H VAL 43 13.741 13.661 -13.552 322 HA VAL 43 HA VAL 43 16.056 14.534 -12.152 323 HB VAL 43 HB VAL 43 14.594 12.639 -11.493 324 HG11 VAL 43 HG11 VAL 43 16.267 10.926 -13.382 325 HG12 VAL 43 HG12 VAL 43 15.009 10.389 -12.259 326 HG13 VAL 43 HG13 VAL 43 14.566 11.369 -13.661 327 HG21 VAL 43 HG21 VAL 43 16.757 13.068 -10.379 328 HG22 VAL 43 HG22 VAL 43 16.378 11.337 -10.435 329 HG23 VAL 43 HG23 VAL 43 17.578 12.007 -11.546 330 H ARG 44 H ARG 44 15.887 12.891 -15.341 331 HA ARG 44 HA ARG 44 18.694 12.437 -15.584 332 HB2 ARG 44 HB2 ARG 44 18.296 12.038 -17.905 333 HB3 ARG 44 HB3 ARG 44 17.043 11.295 -16.933 334 HG2 ARG 44 HG2 ARG 44 15.449 13.161 -17.595 335 HG3 ARG 44 HG3 ARG 44 16.752 13.874 -18.549 336 HD2 ARG 44 HD2 ARG 44 15.336 12.641 -20.034 337 HD3 ARG 44 HD3 ARG 44 16.905 11.831 -19.921 338 HE ARG 44 HE ARG 44 14.920 10.769 -18.046 339 HH11 ARG 44 HH21 ARG 44 15.918 10.509 -21.393 340 HH12 ARG 44 HH22 ARG 44 15.275 8.897 -21.556 341 HH21 ARG 44 HH11 ARG 44 14.139 8.703 -18.313 342 HH22 ARG 44 HH12 ARG 44 14.292 7.908 -19.848 343 H ILE 45 H ILE 45 16.825 15.338 -16.448 344 HA ILE 45 HA ILE 45 19.163 16.654 -17.639 345 HB ILE 45 HB ILE 45 16.546 17.946 -16.818 346 HG12 ILE 45 HG12 ILE 45 15.908 16.172 -18.330 347 HG13 ILE 45 HG13 ILE 45 15.792 17.718 -19.134 348 HG21 ILE 45 HG21 ILE 45 18.687 18.740 -18.851 349 HG22 ILE 45 HG22 ILE 45 17.154 19.600 -18.588 350 HG23 ILE 45 HG23 ILE 45 18.373 19.546 -17.311 351 HD11 ILE 45 HD11 ILE 45 18.075 15.729 -19.543 352 HD12 ILE 45 HD12 ILE 45 16.677 15.945 -20.603 353 HD13 ILE 45 HD13 ILE 45 17.843 17.264 -20.417 354 H ALA 46 H ALA 46 17.512 16.676 -14.468 355 HA ALA 46 HA ALA 46 19.050 18.782 -13.308 356 HB1 ALA 46 HB1 ALA 46 18.220 17.890 -11.180 357 HB2 ALA 46 HB2 ALA 46 16.925 17.889 -12.397 358 HB3 ALA 46 HB3 ALA 46 17.736 16.370 -11.973 359 H ILE 47 H ILE 47 19.624 15.177 -13.187 360 HA ILE 47 HA ILE 47 22.148 15.533 -11.842 361 HB ILE 47 HB ILE 47 22.619 13.234 -12.214 362 HG12 ILE 47 HG12 ILE 47 20.279 13.169 -14.147 363 HG13 ILE 47 HG13 ILE 47 21.979 12.916 -14.536 364 HG21 ILE 47 HG21 ILE 47 19.662 13.553 -11.570 365 HG22 ILE 47 HG22 ILE 47 20.771 12.299 -10.995 366 HG23 ILE 47 HG23 ILE 47 20.985 13.978 -10.476 367 HD11 ILE 47 HD11 ILE 47 21.979 10.867 -13.102 368 HD12 ILE 47 HD12 ILE 47 20.219 11.071 -12.889 369 HD13 ILE 47 HD13 ILE 47 20.881 10.788 -14.498 370 H ALA 48 H ALA 48 21.363 15.313 -15.372 371 HA ALA 48 HA ALA 48 24.020 15.447 -16.309 372 HB1 ALA 48 HB1 ALA 48 22.073 15.038 -17.731 373 HB2 ALA 48 HB2 ALA 48 21.445 16.666 -17.411 374 HB3 ALA 48 HB3 ALA 48 22.952 16.462 -18.330 375 H LYS 49 H LYS 49 21.874 18.232 -15.390 376 HA LYS 49 HA LYS 49 23.879 20.248 -15.903 377 HB2 LYS 49 HB2 LYS 49 21.342 20.164 -14.207 378 HB3 LYS 49 HB3 LYS 49 22.325 21.621 -14.323 379 HG2 LYS 49 HG2 LYS 49 21.266 20.217 -16.814 380 HG3 LYS 49 HG3 LYS 49 20.310 21.396 -15.919 381 HD2 LYS 49 HD2 LYS 49 21.977 23.136 -16.259 382 HD3 LYS 49 HD3 LYS 49 23.063 22.003 -17.090 383 HE2 LYS 49 HE2 LYS 49 21.454 21.663 -18.886 384 HE3 LYS 49 HE3 LYS 49 20.230 22.631 -18.047 385 HZ1 LYS 49 HZ1 LYS 49 21.550 24.598 -18.385 386 HZ2 LYS 49 HZ2 LYS 49 22.850 23.762 -18.932 387 HZ3 LYS 49 HZ3 LYS 49 21.493 23.830 -19.844 388 H LEU 50 H LEU 50 23.132 18.424 -12.907 389 HA LEU 50 HA LEU 50 25.043 19.878 -11.286 390 HB2 LEU 50 HB2 LEU 50 23.828 17.101 -11.046 391 HB3 LEU 50 HB3 LEU 50 24.824 17.839 -9.799 392 HG LEU 50 HG LEU 50 22.266 19.160 -10.780 393 HD11 LEU 50 HD11 LEU 50 21.113 18.162 -8.937 394 HD12 LEU 50 HD12 LEU 50 21.820 16.859 -9.866 395 HD13 LEU 50 HD13 LEU 50 22.585 17.369 -8.334 396 HD21 LEU 50 HD21 LEU 50 23.893 19.475 -8.230 397 HD22 LEU 50 HD22 LEU 50 23.787 20.651 -9.560 398 HD23 LEU 50 HD23 LEU 50 22.359 20.290 -8.590 399 H LEU 51 H LEU 51 25.398 16.982 -13.362 400 HA LEU 51 HA LEU 51 28.142 16.488 -12.494 401 HB2 LEU 51 HB2 LEU 51 26.395 15.379 -14.719 402 HB3 LEU 51 HB3 LEU 51 28.030 14.812 -14.413 403 HG LEU 51 HG LEU 51 25.880 14.730 -12.250 404 HD11 LEU 51 HD11 LEU 51 25.512 12.404 -12.824 405 HD12 LEU 51 HD12 LEU 51 25.154 13.414 -14.229 406 HD13 LEU 51 HD13 LEU 51 26.677 12.496 -14.160 407 HD21 LEU 51 HD21 LEU 51 27.330 12.969 -11.300 408 HD22 LEU 51 HD22 LEU 51 28.504 13.218 -12.602 409 HD23 LEU 51 HD23 LEU 51 28.197 14.508 -11.422 410 H SER 52 H SER 52 26.705 18.031 -15.389 411 HA SER 52 HA SER 52 29.454 18.467 -16.473 412 HB2 SER 52 HB2 SER 52 28.464 18.691 -18.602 413 HB3 SER 52 HB3 SER 52 27.782 17.237 -17.843 414 HG SER 52 HG SER 52 25.891 18.422 -17.382 415 H LYS 53 H LYS 53 26.922 20.378 -15.083 416 HA LYS 53 HA LYS 53 26.171 22.501 -15.358 417 HB2 LYS 53 HB2 LYS 53 27.790 24.168 -14.594 418 HB3 LYS 53 HB3 LYS 53 27.753 22.695 -13.634 419 HG2 LYS 53 HG2 LYS 53 29.797 21.870 -14.718 420 HG3 LYS 53 HG3 LYS 53 29.884 23.326 -15.722 421 HD2 LYS 53 HD2 LYS 53 29.981 23.246 -12.674 422 HD3 LYS 53 HD3 LYS 53 31.399 23.320 -13.724 423 HE2 LYS 53 HE2 LYS 53 30.599 25.488 -14.667 424 HE3 LYS 53 HE3 LYS 53 29.212 25.445 -13.573 425 HZ1 LYS 53 HZ1 LYS 53 31.019 26.794 -12.658 426 HZ2 LYS 53 HZ2 LYS 53 30.768 25.502 -11.693 427 HZ3 LYS 53 HZ3 LYS 53 32.058 25.538 -12.696 428 H GLN 54 H GLN 54 26.439 21.389 -17.894 429 HA GLN 54 HA GLN 54 27.725 23.168 -19.713 430 HB2 GLN 54 HB2 GLN 54 26.738 21.861 -21.459 431 HB3 GLN 54 HB3 GLN 54 27.283 20.798 -20.169 432 HG2 GLN 54 HG2 GLN 54 24.884 20.661 -19.346 433 HG3 GLN 54 HG3 GLN 54 24.400 21.626 -20.746 434 HE21 GLN 54 HE22 GLN 54 25.971 18.546 -19.802 435 HE22 GLN 54 HE21 GLN 54 25.512 17.689 -21.280 436 H THR 55 H THR 55 26.946 24.688 -21.201 437 HA THR 55 HA THR 55 24.881 26.406 -20.141 438 HB THR 55 HB THR 55 27.002 27.152 -21.179 439 HG1 THR 55 HG1 THR 55 26.062 28.966 -22.088 440 HG21 THR 55 HG21 THR 55 27.188 27.433 -23.585 441 HG22 THR 55 HG22 THR 55 26.996 25.713 -23.231 442 HG23 THR 55 HG23 THR 55 25.620 26.650 -23.853 443 H SER 56 H SER 56 24.792 23.963 -22.646 444 HA SER 56 HA SER 56 22.722 24.897 -24.271 445 HB2 SER 56 HB2 SER 56 23.377 22.004 -23.600 446 HB3 SER 56 HB3 SER 56 22.512 22.587 -25.037 447 HG SER 56 HG SER 56 24.745 22.238 -25.477 448 H GLY 57 H GLY 57 20.512 24.433 -24.494 449 HA2 GLY 57 HA2 GLY 57 19.002 24.018 -21.978 450 HA3 GLY 57 HA3 GLY 57 18.376 24.637 -23.496 451 H GLY 58 H GLY 58 17.176 22.630 -21.850 452 HA2 GLY 58 HA2 GLY 58 17.407 20.029 -23.204 453 HA3 GLY 58 HA3 GLY 58 16.268 20.468 -21.940 454 H SER 59 H SER 59 15.577 18.971 -24.192 455 HA SER 59 HA SER 59 14.078 18.743 -25.876 456 HB2 SER 59 HB2 SER 59 12.572 20.797 -24.238 457 HB3 SER 59 HB3 SER 59 11.877 19.688 -25.435 458 HG SER 59 HG SER 59 11.615 18.646 -23.561 459 H GLY 60 H GLY 60 16.089 20.395 -26.818 460 HA2 GLY 60 HA2 GLY 60 15.126 22.827 -28.013 461 HA3 GLY 60 HA3 GLY 60 16.649 22.010 -28.358 462 H GLY 61 H GLY 61 14.673 19.589 -29.118 463 HA2 GLY 61 HA2 GLY 61 14.865 19.983 -31.963 464 HA3 GLY 61 HA3 GLY 61 14.069 18.642 -31.147 465 H SER 62 H SER 62 13.192 19.900 -33.539 466 HA SER 62 HA SER 62 10.408 20.507 -32.817 467 HB2 SER 62 HB2 SER 62 11.624 22.727 -32.866 468 HB3 SER 62 HB3 SER 62 11.950 22.443 -34.588 469 HG SER 62 HG SER 62 10.011 23.692 -34.180 470 H LYS 63 H LYS 63 8.983 20.518 -34.731 471 HA LYS 63 HA LYS 63 9.576 18.247 -36.447 472 HB2 LYS 63 HB2 LYS 63 7.382 18.674 -35.419 473 HB3 LYS 63 HB3 LYS 63 7.165 20.119 -36.396 474 HG2 LYS 63 HG2 LYS 63 7.688 17.468 -37.774 475 HG3 LYS 63 HG3 LYS 63 6.116 17.753 -37.031 476 HD2 LYS 63 HD2 LYS 63 5.725 19.735 -38.411 477 HD3 LYS 63 HD3 LYS 63 7.335 19.613 -39.112 478 HE2 LYS 63 HE2 LYS 63 5.841 18.733 -40.727 479 HE3 LYS 63 HE3 LYS 63 6.753 17.375 -40.070 480 HZ1 LYS 63 HZ1 LYS 63 4.799 16.822 -38.692 481 HZ2 LYS 63 HZ2 LYS 63 3.973 18.116 -39.266 482 HZ3 LYS 63 HZ3 LYS 63 4.363 16.885 -40.259 483 H LEU 64 H LEU 64 9.993 18.132 -38.564 484 HA LEU 64 HA LEU 64 10.271 20.601 -40.225 485 HB2 LEU 64 HB2 LEU 64 12.252 18.301 -39.952 486 HB3 LEU 64 HB3 LEU 64 12.346 19.542 -41.193 487 HG LEU 64 HG LEU 64 12.558 20.090 -38.199 488 HD11 LEU 64 HD11 LEU 64 14.707 19.970 -40.354 489 HD12 LEU 64 HD12 LEU 64 14.946 20.434 -38.654 490 HD13 LEU 64 HD13 LEU 64 14.461 18.781 -39.055 491 HD21 LEU 64 HD21 LEU 64 11.760 22.076 -39.435 492 HD22 LEU 64 HD22 LEU 64 13.436 22.295 -38.926 493 HD23 LEU 64 HD23 LEU 64 13.075 21.883 -40.618 494 H GLY 65 H GLY 65 10.253 20.198 -42.538 495 HA2 GLY 65 HA2 GLY 65 8.203 18.330 -43.383 496 HA3 GLY 65 HA3 GLY 65 9.156 19.389 -44.417 497 H GLY 66 H GLY 66 8.381 16.608 -44.863 498 HA2 GLY 66 HA2 GLY 66 10.626 15.533 -46.126 499 HA3 GLY 66 HA3 GLY 66 10.626 14.829 -44.507 500 H SER 67 H SER 67 10.478 12.957 -46.198 501 HA SER 67 HA SER 67 7.951 12.277 -47.365 502 HB2 SER 67 HB2 SER 67 10.257 10.467 -46.555 503 HB3 SER 67 HB3 SER 67 8.923 10.037 -47.640 504 HG SER 67 HG SER 67 10.803 10.717 -48.800 505 H GLY 68 H GLY 68 6.408 10.711 -46.772 506 HA2 GLY 68 HA2 GLY 68 5.655 10.593 -43.994 507 HA3 GLY 68 HA3 GLY 68 4.893 9.729 -45.322 508 H GLY 69 H GLY 69 5.348 8.747 -42.679 509 HA2 GLY 69 HA2 GLY 69 6.758 6.209 -43.263 510 HA3 GLY 69 HA3 GLY 69 7.443 7.216 -41.984 511 H SER 70 H SER 70 3.948 7.041 -42.510 512 HA SER 70 HA SER 70 3.418 6.414 -39.779 513 HB2 SER 70 HB2 SER 70 1.542 6.270 -42.170 514 HB3 SER 70 HB3 SER 70 1.068 6.343 -40.463 515 HG SER 70 HG SER 70 1.017 8.423 -41.470 516 H ARG 71 H ARG 71 2.438 4.640 -38.805 517 HA ARG 71 HA ARG 71 2.490 1.997 -40.213 518 HB2 ARG 71 HB2 ARG 71 3.592 2.593 -37.426 519 HB3 ARG 71 HB3 ARG 71 3.420 0.984 -38.138 520 HG2 ARG 71 HG2 ARG 71 4.984 1.640 -39.972 521 HG3 ARG 71 HG3 ARG 71 5.215 3.215 -39.187 522 HD2 ARG 71 HD2 ARG 71 6.054 2.075 -37.153 523 HD3 ARG 71 HD3 ARG 71 5.859 0.503 -37.966 524 HE ARG 71 HE ARG 71 7.458 2.191 -39.618 525 HH11 ARG 71 HH11 ARG 71 7.795 0.503 -36.562 526 HH12 ARG 71 HH12 ARG 71 9.524 0.360 -36.725 527 HH21 ARG 71 HH21 ARG 71 9.666 1.977 -39.762 528 HH22 ARG 71 HH22 ARG 71 10.553 1.179 -38.495 529 H LYS 72 H LYS 72 1.143 0.376 -39.306 530 HA LYS 72 HA LYS 72 -1.417 1.441 -38.353 531 HB2 LYS 72 HB2 LYS 72 -2.328 -0.701 -38.899 532 HB3 LYS 72 HB3 LYS 72 -1.273 -0.165 -40.206 533 HG2 LYS 72 HG2 LYS 72 0.525 -1.685 -39.366 534 HG3 LYS 72 HG3 LYS 72 -0.550 -2.223 -38.062 535 HD2 LYS 72 HD2 LYS 72 -2.171 -3.066 -39.740 536 HD3 LYS 72 HD3 LYS 72 -1.095 -2.526 -41.049 537 HE2 LYS 72 HE2 LYS 72 0.695 -4.029 -40.187 538 HE3 LYS 72 HE3 LYS 72 -0.383 -4.570 -38.891 539 HZ1 LYS 72 HZ1 LYS 72 -0.882 -4.967 -41.802 540 HZ2 LYS 72 HZ2 LYS 72 -0.409 -6.127 -40.758 541 HZ3 LYS 72 HZ3 LYS 72 -1.888 -5.456 -40.609 542 H ASP 73 H ASP 73 1.238 0.105 -36.690 543 HA ASP 73 HA ASP 73 -0.278 -1.173 -34.556 544 HB2 ASP 73 HB2 ASP 73 1.856 -2.057 -35.349 545 HB3 ASP 73 HB3 ASP 73 2.683 -0.581 -34.847 546 H LEU 74 H LEU 74 -1.542 0.894 -34.302 547 HA LEU 74 HA LEU 74 -0.244 2.953 -32.592 548 HB2 LEU 74 HB2 LEU 74 -2.910 2.954 -34.050 549 HB3 LEU 74 HB3 LEU 74 -2.204 4.320 -33.192 550 HG LEU 74 HG LEU 74 -1.040 3.014 -35.689 551 HD11 LEU 74 HD11 LEU 74 -3.095 4.311 -36.100 552 HD12 LEU 74 HD12 LEU 74 -2.378 5.717 -35.280 553 HD13 LEU 74 HD13 LEU 74 -1.672 5.105 -36.794 554 HD21 LEU 74 HD21 LEU 74 0.487 4.977 -35.721 555 HD22 LEU 74 HD22 LEU 74 -0.120 5.468 -34.123 556 HD23 LEU 74 HD23 LEU 74 0.777 3.943 -34.322 557 H SER 75 H SER 75 -1.721 0.146 -31.823 558 HA SER 75 HA SER 75 -3.744 0.982 -29.952 559 HB2 SER 75 HB2 SER 75 -3.718 -1.358 -29.206 560 HB3 SER 75 HB3 SER 75 -3.810 -1.211 -30.968 561 HG SER 75 HG SER 75 -2.288 -2.787 -30.406 562 H VAL 76 H VAL 76 -3.763 1.015 -27.717 563 HA VAL 76 HA VAL 76 -1.246 1.714 -26.364 564 HB VAL 76 HB VAL 76 -4.082 1.510 -25.275 565 HG11 VAL 76 HG11 VAL 76 -2.444 1.295 -23.445 566 HG12 VAL 76 HG12 VAL 76 -1.561 2.720 -24.041 567 HG13 VAL 76 HG13 VAL 76 -3.209 2.880 -23.395 568 HG21 VAL 76 HG21 VAL 76 -4.016 3.991 -25.341 569 HG22 VAL 76 HG22 VAL 76 -2.426 3.930 -26.130 570 HG23 VAL 76 HG23 VAL 76 -3.867 3.309 -26.960 571 H LYS 77 H LYS 77 -0.076 0.452 -25.053 572 HA LYS 77 HA LYS 77 -0.963 -2.356 -24.477 573 HB2 LYS 77 HB2 LYS 77 1.792 -1.375 -25.332 574 HB3 LYS 77 HB3 LYS 77 1.371 -3.044 -24.918 575 HG2 LYS 77 HG2 LYS 77 -0.198 -3.149 -26.825 576 HG3 LYS 77 HG3 LYS 77 0.159 -1.457 -27.221 577 HD2 LYS 77 HD2 LYS 77 2.535 -2.032 -27.629 578 HD3 LYS 77 HD3 LYS 77 2.194 -3.716 -27.223 579 HE2 LYS 77 HE2 LYS 77 2.288 -3.472 -29.626 580 HE3 LYS 77 HE3 LYS 77 0.646 -3.900 -29.146 581 HZ1 LYS 77 HZ1 LYS 77 0.869 -2.084 -30.845 582 HZ2 LYS 77 HZ2 LYS 77 -0.069 -1.671 -29.580 583 HZ3 LYS 77 HZ3 LYS 77 1.472 -1.093 -29.689 584 H GLY 78 H GLY 78 -0.058 -3.382 -22.655 585 HA2 GLY 78 HA2 GLY 78 0.589 -3.538 -20.432 586 HA3 GLY 78 HA3 GLY 78 1.551 -2.080 -20.660 587 H MET 79 H MET 79 0.996 -1.330 -18.594 588 HA MET 79 HA MET 79 -1.682 -0.032 -18.376 589 HB2 MET 79 HB2 MET 79 -0.212 -1.498 -16.144 590 HB3 MET 79 HB3 MET 79 -1.619 -0.449 -15.918 591 HG2 MET 79 HG2 MET 79 -2.951 -1.925 -17.413 592 HG3 MET 79 HG3 MET 79 -1.563 -3.007 -17.566 593 HE1 MET 79 HE1 MET 79 -4.076 -5.091 -15.411 594 HE2 MET 79 HE2 MET 79 -4.475 -3.954 -16.716 595 HE3 MET 79 HE3 MET 79 -3.080 -5.047 -16.882 596 H LEU 80 H LEU 80 -1.720 1.960 -17.303 597 HA LEU 80 HA LEU 80 0.714 3.516 -17.557 598 HB2 LEU 80 HB2 LEU 80 -1.527 4.341 -18.211 599 HB3 LEU 80 HB3 LEU 80 -2.059 4.234 -16.535 600 HG LEU 80 HG LEU 80 -0.385 5.988 -15.909 601 HD11 LEU 80 HD11 LEU 80 0.070 6.168 -18.922 602 HD12 LEU 80 HD12 LEU 80 0.643 7.344 -17.722 603 HD13 LEU 80 HD13 LEU 80 1.284 5.703 -17.712 604 HD21 LEU 80 HD21 LEU 80 -1.591 7.858 -16.938 605 HD22 LEU 80 HD22 LEU 80 -2.271 6.767 -18.167 606 HD23 LEU 80 HD23 LEU 80 -2.714 6.579 -16.456 607 H TYR 81 H TYR 81 2.028 4.356 -16.004 608 HA TYR 81 HA TYR 81 1.299 4.306 -13.162 609 HB2 TYR 81 HB2 TYR 81 2.456 2.107 -13.676 610 HB3 TYR 81 HB3 TYR 81 3.886 3.027 -14.127 611 HD1 TYR 81 HD2 TYR 81 1.439 2.529 -11.306 612 HD2 TYR 81 HD1 TYR 81 5.478 3.557 -12.423 613 HE1 TYR 81 HE2 TYR 81 2.085 2.587 -8.903 614 HE2 TYR 81 HE1 TYR 81 6.123 3.614 -10.014 615 HH TYR 81 HH TYR 81 3.778 2.940 -7.386 616 H ASP 82 H ASP 82 2.896 5.569 -11.838 617 HA ASP 82 HA ASP 82 3.390 8.104 -13.118 618 HB2 ASP 82 HB2 ASP 82 2.614 7.796 -10.769 619 HB3 ASP 82 HB3 ASP 82 4.206 7.144 -10.359 620 H SER 83 H SER 83 5.384 9.299 -13.064 621 HA SER 83 HA SER 83 7.662 7.757 -14.152 622 HB2 SER 83 HB2 SER 83 6.988 9.717 -15.368 623 HB3 SER 83 HB3 SER 83 7.142 10.738 -13.922 624 HG SER 83 HG SER 83 8.988 10.649 -15.509 625 H ASP 84 H ASP 84 9.673 7.599 -13.261 626 HA ASP 84 HA ASP 84 10.116 7.781 -10.446 627 HB2 ASP 84 HB2 ASP 84 12.089 7.765 -12.775 628 HB3 ASP 84 HB3 ASP 84 12.528 7.567 -11.077 629 H SER 85 H SER 85 10.602 10.187 -13.038 630 HA SER 85 HA SER 85 12.159 12.085 -11.582 631 HB2 SER 85 HB2 SER 85 10.194 12.322 -13.885 632 HB3 SER 85 HB3 SER 85 10.929 13.745 -13.162 633 HG SER 85 HG SER 85 12.156 11.649 -14.589 634 H GLN 86 H GLN 86 8.570 11.653 -11.659 635 HA GLN 86 HA GLN 86 8.125 13.992 -9.977 636 HB2 GLN 86 HB2 GLN 86 6.247 11.677 -10.589 637 HB3 GLN 86 HB3 GLN 86 5.827 13.207 -9.808 638 HG2 GLN 86 HG2 GLN 86 6.834 14.297 -11.989 639 HG3 GLN 86 HG3 GLN 86 6.549 12.699 -12.697 640 HE21 GLN 86 HE22 GLN 86 4.094 11.843 -11.999 641 HE22 GLN 86 HE21 GLN 86 2.889 13.095 -12.298 642 H GLN 87 H GLN 87 8.480 10.476 -9.311 643 HA GLN 87 HA GLN 87 7.878 10.685 -6.496 644 HB2 GLN 87 HB2 GLN 87 9.514 8.666 -8.095 645 HB3 GLN 87 HB3 GLN 87 9.113 8.480 -6.385 646 HG2 GLN 87 HG2 GLN 87 7.076 8.683 -8.650 647 HG3 GLN 87 HG3 GLN 87 7.577 7.200 -7.857 648 HE21 GLN 87 HE22 GLN 87 4.999 9.181 -7.941 649 HE22 GLN 87 HE21 GLN 87 4.487 9.060 -6.252 650 H ILE 88 H ILE 88 11.024 10.724 -8.254 651 HA ILE 88 HA ILE 88 12.660 11.206 -5.953 652 HB ILE 88 HB ILE 88 13.039 11.869 -8.891 653 HG12 ILE 88 HG12 ILE 88 12.928 9.416 -8.261 654 HG13 ILE 88 HG13 ILE 88 14.383 9.943 -9.079 655 HG21 ILE 88 HG21 ILE 88 15.489 12.086 -8.332 656 HG22 ILE 88 HG22 ILE 88 14.484 13.397 -7.718 657 HG23 ILE 88 HG23 ILE 88 15.042 12.130 -6.616 658 HD11 ILE 88 HD11 ILE 88 15.662 9.833 -6.997 659 HD12 ILE 88 HD12 ILE 88 14.186 9.479 -6.072 660 HD13 ILE 88 HD13 ILE 88 14.790 8.315 -7.258 661 H LEU 89 H LEU 89 11.083 13.578 -8.226 662 HA LEU 89 HA LEU 89 12.008 15.880 -6.850 663 HB2 LEU 89 HB2 LEU 89 10.964 15.950 -9.091 664 HB3 LEU 89 HB3 LEU 89 9.439 15.373 -8.433 665 HG LEU 89 HG LEU 89 9.147 17.477 -7.170 666 HD11 LEU 89 HD11 LEU 89 11.472 18.144 -6.750 667 HD12 LEU 89 HD12 LEU 89 11.754 18.328 -8.496 668 HD13 LEU 89 HD13 LEU 89 10.637 19.415 -7.648 669 HD21 LEU 89 HD21 LEU 89 8.764 18.944 -9.093 670 HD22 LEU 89 HD22 LEU 89 9.799 17.914 -10.104 671 HD23 LEU 89 HD23 LEU 89 8.266 17.286 -9.457 672 H ASN 90 H ASN 90 8.945 14.018 -6.272 673 HA ASN 90 HA ASN 90 7.956 15.718 -4.234 674 HB2 ASN 90 HB2 ASN 90 6.623 13.977 -5.378 675 HB3 ASN 90 HB3 ASN 90 7.607 12.706 -4.658 676 HD21 ASN 90 HD22 ASN 90 5.030 15.046 -4.043 677 HD22 ASN 90 HD21 ASN 90 4.656 14.435 -2.441 678 H ARG 91 H ARG 91 9.991 12.724 -3.847 679 HA ARG 91 HA ARG 91 10.208 13.134 -0.959 680 HB2 ARG 91 HB2 ARG 91 11.710 11.378 -2.935 681 HB3 ARG 91 HB3 ARG 91 12.077 11.397 -1.209 682 HG2 ARG 91 HG2 ARG 91 9.440 10.544 -2.485 683 HG3 ARG 91 HG3 ARG 91 10.666 9.516 -1.760 684 HD2 ARG 91 HD2 ARG 91 9.252 9.599 0.001 685 HD3 ARG 91 HD3 ARG 91 10.248 11.013 0.395 686 HE ARG 91 HE ARG 91 7.966 11.752 -1.254 687 HH11 ARG 91 HH21 ARG 91 8.631 10.869 2.089 688 HH12 ARG 91 HH22 ARG 91 7.156 11.596 2.646 689 HH21 ARG 91 HH11 ARG 91 6.201 12.666 -0.501 690 HH22 ARG 91 HH12 ARG 91 5.773 12.595 1.200 691 H LEU 92 H LEU 92 12.267 14.233 -3.684 692 HA LEU 92 HA LEU 92 14.354 15.175 -1.921 693 HB2 LEU 92 HB2 LEU 92 14.678 14.715 -4.327 694 HB3 LEU 92 HB3 LEU 92 13.554 16.010 -4.741 695 HG LEU 92 HG LEU 92 15.118 17.672 -3.715 696 HD11 LEU 92 HD11 LEU 92 17.451 16.986 -3.244 697 HD12 LEU 92 HD12 LEU 92 16.331 16.230 -2.109 698 HD13 LEU 92 HD13 LEU 92 16.995 15.282 -3.465 699 HD21 LEU 92 HD21 LEU 92 16.848 17.430 -5.501 700 HD22 LEU 92 HD22 LEU 92 16.193 15.830 -5.879 701 HD23 LEU 92 HD23 LEU 92 15.184 17.284 -6.079 702 H ARG 93 H ARG 93 11.420 16.756 -3.301 703 HA ARG 93 HA ARG 93 12.028 19.353 -2.207 704 HB2 ARG 93 HB2 ARG 93 10.466 18.851 -4.122 705 HB3 ARG 93 HB3 ARG 93 9.288 18.222 -2.957 706 HG2 ARG 93 HG2 ARG 93 9.153 20.443 -1.876 707 HG3 ARG 93 HG3 ARG 93 10.465 21.043 -2.886 708 HD2 ARG 93 HD2 ARG 93 8.881 20.399 -4.903 709 HD3 ARG 93 HD3 ARG 93 7.623 20.381 -3.673 710 HE ARG 93 HE ARG 93 7.806 22.709 -3.408 711 HH11 ARG 93 HH11 ARG 93 10.301 21.703 -5.733 712 HH12 ARG 93 HH12 ARG 93 10.651 23.406 -6.080 713 HH21 ARG 93 HH21 ARG 93 8.427 24.813 -4.078 714 HH22 ARG 93 HH22 ARG 93 9.707 24.935 -5.292 715 H GLU 94 H GLU 94 10.050 16.630 -0.933 716 HA GLU 94 HA GLU 94 9.331 17.994 1.499 717 HB2 GLU 94 HB2 GLU 94 9.575 15.050 0.790 718 HB3 GLU 94 HB3 GLU 94 8.939 15.625 2.333 719 HG2 GLU 94 HG2 GLU 94 7.764 16.405 -0.374 720 HG3 GLU 94 HG3 GLU 94 7.200 15.049 0.595 721 H ARG 95 H ARG 95 12.099 15.746 0.826 722 HA ARG 95 HA ARG 95 13.302 15.839 3.408 723 HB2 ARG 95 HB2 ARG 95 14.372 15.451 0.583 724 HB3 ARG 95 HB3 ARG 95 15.475 15.564 1.956 725 HG2 ARG 95 HG2 ARG 95 14.483 13.632 3.029 726 HG3 ARG 95 HG3 ARG 95 13.226 13.522 1.794 727 HD2 ARG 95 HD2 ARG 95 14.999 11.867 1.390 728 HD3 ARG 95 HD3 ARG 95 14.895 13.020 0.074 729 HE ARG 95 HE ARG 95 16.928 14.077 0.798 730 HH11 ARG 95 HH11 ARG 95 16.462 10.976 2.437 731 HH12 ARG 95 HH12 ARG 95 17.991 11.118 3.253 732 HH21 ARG 95 HH21 ARG 95 18.903 14.098 1.838 733 HH22 ARG 95 HH22 ARG 95 19.364 12.754 2.829 734 H VAL 96 H VAL 96 13.707 18.106 0.663 735 HA VAL 96 HA VAL 96 15.699 19.678 2.113 736 HB VAL 96 HB VAL 96 14.357 20.008 -0.587 737 HG11 VAL 96 HG11 VAL 96 16.562 21.725 0.643 738 HG12 VAL 96 HG12 VAL 96 16.088 21.727 -1.070 739 HG13 VAL 96 HG13 VAL 96 14.942 22.273 0.152 740 HG21 VAL 96 HG21 VAL 96 17.210 19.323 0.286 741 HG22 VAL 96 HG22 VAL 96 16.020 18.146 -0.316 742 HG23 VAL 96 HG23 VAL 96 16.628 19.410 -1.385 743 H SER 97 H SER 97 12.171 20.104 1.445 744 HA SER 97 HA SER 97 12.178 22.781 2.476 745 HB2 SER 97 HB2 SER 97 9.798 22.724 2.348 746 HB3 SER 97 HB3 SER 97 10.468 21.954 0.902 747 HG SER 97 HG SER 97 8.703 20.767 1.826 748 H GLY 98 H GLY 98 11.335 19.590 3.901 749 HA2 GLY 98 HA2 GLY 98 11.366 18.833 6.064 750 HA3 GLY 98 HA3 GLY 98 12.238 20.288 6.541 751 H SER 99 H SER 99 10.757 19.524 8.459 752 HA SER 99 HA SER 99 7.978 20.125 8.457 753 HB2 SER 99 HB2 SER 99 9.904 20.136 10.811 754 HB3 SER 99 HB3 SER 99 8.139 19.980 10.890 755 HG SER 99 HG SER 99 9.187 17.930 10.995 756 H THR 100 H THR 100 10.723 22.291 8.820 757 HA THR 100 HA THR 100 9.341 24.446 10.174 758 HB THR 100 HB THR 100 11.336 25.799 9.454 759 HG1 THR 100 HG1 THR 100 13.018 24.672 8.447 760 HG21 THR 100 HG21 THR 100 12.943 24.614 10.868 761 HG22 THR 100 HG22 THR 100 11.326 24.533 11.587 762 HG23 THR 100 HG23 THR 100 11.997 23.116 10.751 763 H ALA 101 H ALA 101 9.182 23.423 6.884 764 HA ALA 101 HA ALA 101 8.443 26.001 5.762 765 HB1 ALA 101 HB1 ALA 101 9.418 24.182 4.421 766 HB2 ALA 101 HB2 ALA 101 8.001 23.158 4.758 767 HB3 ALA 101 HB3 ALA 101 7.821 24.645 3.805 768 H GLN 102 H GLN 102 6.728 23.850 7.841 769 HA GLN 102 HA GLN 102 4.054 24.312 6.841 770 HB2 GLN 102 HB2 GLN 102 4.815 22.363 8.230 771 HB3 GLN 102 HB3 GLN 102 4.940 23.450 9.623 772 HG2 GLN 102 HG2 GLN 102 2.511 23.905 9.489 773 HG3 GLN 102 HG3 GLN 102 2.389 22.921 8.024 774 HE21 GLN 102 HE22 GLN 102 2.994 22.802 11.558 775 HE22 GLN 102 HE21 GLN 102 2.655 21.069 11.691 776 H SER 103 H SER 103 2.486 25.779 7.524 777 HA SER 103 HA SER 103 3.396 28.358 8.295 778 HB2 SER 103 HB2 SER 103 0.542 27.325 8.168 779 HB3 SER 103 HB3 SER 103 1.065 29.019 8.098 780 HG SER 103 HG SER 103 0.671 28.159 5.996 781 H ALA 104 H ALA 104 2.607 25.789 10.373 782 HA ALA 104 HA ALA 104 2.519 27.526 12.750 783 HB1 ALA 104 HB1 ALA 104 0.422 25.385 12.170 784 HB2 ALA 104 HB2 ALA 104 0.587 26.312 13.677 785 HB3 ALA 104 HB3 ALA 104 0.140 27.145 12.176 Start of MODEL 20 1 H1 SER 1 H1 SER 1 5.731 -16.044 -8.284 2 H2 SER 1 H2 SER 1 4.513 -15.351 -7.432 3 H3 SER 1 H3 SER 1 4.556 -15.207 -9.062 4 HA SER 1 HA SER 1 6.586 -13.924 -8.973 5 HB2 SER 1 HB2 SER 1 4.359 -12.729 -7.273 6 HB3 SER 1 HB3 SER 1 5.622 -11.839 -8.152 7 HG SER 1 HG SER 1 3.669 -11.962 -9.363 8 H VAL 2 H VAL 2 8.143 -12.736 -7.728 9 HA VAL 2 HA VAL 2 8.583 -13.826 -4.965 10 HB VAL 2 HB VAL 2 10.976 -13.763 -5.397 11 HG11 VAL 2 HG11 VAL 2 9.689 -15.826 -5.830 12 HG12 VAL 2 HG12 VAL 2 9.514 -15.354 -7.536 13 HG13 VAL 2 HG13 VAL 2 11.121 -15.681 -6.864 14 HG21 VAL 2 HG21 VAL 2 11.904 -13.435 -7.618 15 HG22 VAL 2 HG22 VAL 2 10.307 -13.094 -8.299 16 HG23 VAL 2 HG23 VAL 2 11.044 -11.969 -7.136 17 H SER 3 H SER 3 7.535 -11.038 -6.157 18 HA SER 3 HA SER 3 9.331 -9.043 -5.299 19 HB2 SER 3 HB2 SER 3 6.294 -8.879 -5.390 20 HB3 SER 3 HB3 SER 3 7.436 -7.522 -5.445 21 HG SER 3 HG SER 3 6.722 -8.127 -7.556 22 H ILE 4 H ILE 4 9.718 -7.979 -3.416 23 HA ILE 4 HA ILE 4 8.924 -9.245 -0.954 24 HB ILE 4 HB ILE 4 10.374 -7.816 0.185 25 HG12 ILE 4 HG12 ILE 4 9.917 -5.615 -0.624 26 HG13 ILE 4 HG13 ILE 4 11.627 -5.956 -0.723 27 HG21 ILE 4 HG21 ILE 4 11.380 -9.622 -1.127 28 HG22 ILE 4 HG22 ILE 4 11.683 -8.511 -2.473 29 HG23 ILE 4 HG23 ILE 4 12.485 -8.255 -0.913 30 HD11 ILE 4 HD11 ILE 4 11.403 -6.292 -3.200 31 HD12 ILE 4 HD12 ILE 4 9.686 -5.827 -3.064 32 HD13 ILE 4 HD13 ILE 4 10.955 -4.674 -2.645 33 H LEU 5 H LEU 5 7.464 -6.700 -2.686 34 HA LEU 5 HA LEU 5 5.429 -6.342 -0.562 35 HB2 LEU 5 HB2 LEU 5 6.837 -4.084 -2.072 36 HB3 LEU 5 HB3 LEU 5 5.329 -3.871 -1.198 37 HG LEU 5 HG LEU 5 7.942 -4.693 0.122 38 HD11 LEU 5 HD11 LEU 5 6.545 -1.992 -0.006 39 HD12 LEU 5 HD12 LEU 5 7.994 -2.380 0.951 40 HD13 LEU 5 HD13 LEU 5 8.062 -2.427 -0.820 41 HD21 LEU 5 HD21 LEU 5 6.774 -4.052 2.211 42 HD22 LEU 5 HD22 LEU 5 5.278 -3.775 1.294 43 HD23 LEU 5 HD23 LEU 5 5.969 -5.409 1.420 44 H ARG 6 H ARG 6 3.338 -5.893 -1.407 45 HA ARG 6 HA ARG 6 2.753 -6.769 -4.114 46 HB2 ARG 6 HB2 ARG 6 1.050 -5.289 -2.059 47 HB3 ARG 6 HB3 ARG 6 0.444 -5.927 -3.593 48 HG2 ARG 6 HG2 ARG 6 1.178 -8.217 -2.930 49 HG3 ARG 6 HG3 ARG 6 1.670 -7.597 -1.349 50 HD2 ARG 6 HD2 ARG 6 -1.154 -7.467 -2.502 51 HD3 ARG 6 HD3 ARG 6 -0.600 -8.679 -1.362 52 HE ARG 6 HE ARG 6 -1.265 -5.868 -0.813 53 HH11 ARG 6 HH11 ARG 6 0.255 -8.717 0.561 54 HH12 ARG 6 HH12 ARG 6 0.102 -8.121 2.191 55 HH21 ARG 6 HH21 ARG 6 -1.407 -5.164 1.277 56 HH22 ARG 6 HH22 ARG 6 -0.821 -6.156 2.580 57 H SER 7 H SER 7 3.476 -3.633 -2.780 58 HA SER 7 HA SER 7 2.813 -2.107 -5.181 59 HB2 SER 7 HB2 SER 7 3.908 -0.269 -3.899 60 HB3 SER 7 HB3 SER 7 2.610 -1.083 -3.008 61 HG SER 7 HG SER 7 4.523 -0.799 -1.726 62 H SER 8 H SER 8 5.222 -4.311 -4.729 63 HA SER 8 HA SER 8 7.121 -4.876 -5.708 64 HB2 SER 8 HB2 SER 8 5.875 -4.174 -7.738 65 HB3 SER 8 HB3 SER 8 6.711 -2.609 -7.669 66 HG SER 8 HG SER 8 7.759 -4.192 -9.037 67 H VAL 9 H VAL 9 7.089 -1.365 -5.119 68 HA VAL 9 HA VAL 9 9.971 -1.467 -4.298 69 HB VAL 9 HB VAL 9 8.591 0.650 -5.992 70 HG11 VAL 9 HG11 VAL 9 11.448 0.595 -4.938 71 HG12 VAL 9 HG12 VAL 9 10.811 1.750 -6.122 72 HG13 VAL 9 HG13 VAL 9 10.183 1.759 -4.481 73 HG21 VAL 9 HG21 VAL 9 9.244 -1.290 -7.336 74 HG22 VAL 9 HG22 VAL 9 10.364 0.029 -7.666 75 HG23 VAL 9 HG23 VAL 9 10.861 -1.296 -6.600 76 H ASN 10 H ASN 10 10.503 -0.357 -2.478 77 HA ASN 10 HA ASN 10 8.301 0.755 -0.832 78 HB2 ASN 10 HB2 ASN 10 9.986 -0.976 -0.025 79 HB3 ASN 10 HB3 ASN 10 11.226 0.268 -0.106 80 HD21 ASN 10 HD22 ASN 10 11.128 -0.738 2.289 81 HD22 ASN 10 HD21 ASN 10 10.161 0.232 3.388 82 H HIS 11 H HIS 11 8.431 2.900 0.175 83 HA HIS 11 HA HIS 11 9.451 4.970 -1.595 84 HB2 HIS 11 HB2 HIS 11 8.637 6.536 0.042 85 HB3 HIS 11 HB3 HIS 11 7.439 5.267 -0.217 86 HD2 HIS 11 HD2 HIS 11 6.579 4.025 1.938 87 HE1 HIS 11 HE1 HIS 11 9.412 5.516 4.748 88 HE2 HIS 11 HE2 HIS 11 7.290 4.143 4.468 89 H ARG 12 H ARG 12 10.844 3.387 1.253 90 HA ARG 12 HA ARG 12 13.126 5.103 1.534 91 HB2 ARG 12 HB2 ARG 12 12.773 2.132 2.106 92 HB3 ARG 12 HB3 ARG 12 14.208 3.070 2.544 93 HG2 ARG 12 HG2 ARG 12 12.801 4.627 3.889 94 HG3 ARG 12 HG3 ARG 12 11.371 3.646 3.522 95 HD2 ARG 12 HD2 ARG 12 12.389 1.698 4.626 96 HD3 ARG 12 HD3 ARG 12 13.856 2.644 4.965 97 HE ARG 12 HE ARG 12 11.779 4.161 6.056 98 HH11 ARG 12 HH21 ARG 12 13.006 0.930 6.757 99 HH12 ARG 12 HH22 ARG 12 12.459 1.024 8.409 100 HH21 ARG 12 HH11 ARG 12 11.163 4.219 7.989 101 HH22 ARG 12 HH12 ARG 12 11.414 2.895 9.144 102 H GLU 13 H GLU 13 12.465 2.665 -0.937 103 HA GLU 13 HA GLU 13 15.219 2.637 -1.929 104 HB2 GLU 13 HB2 GLU 13 12.630 1.790 -3.254 105 HB3 GLU 13 HB3 GLU 13 14.240 1.584 -3.936 106 HG2 GLU 13 HG2 GLU 13 14.918 0.180 -2.039 107 HG3 GLU 13 HG3 GLU 13 13.349 0.407 -1.270 108 H VAL 14 H VAL 14 12.277 4.569 -2.641 109 HA VAL 14 HA VAL 14 13.493 6.173 -4.725 110 HB VAL 14 HB VAL 14 11.251 6.938 -2.807 111 HG11 VAL 14 HG11 VAL 14 12.170 8.874 -4.065 112 HG12 VAL 14 HG12 VAL 14 11.865 7.990 -5.588 113 HG13 VAL 14 HG13 VAL 14 10.518 8.473 -4.546 114 HG21 VAL 14 HG21 VAL 14 11.111 5.599 -5.546 115 HG22 VAL 14 HG22 VAL 14 10.646 4.854 -3.999 116 HG23 VAL 14 HG23 VAL 14 9.720 6.219 -4.630 117 H ASP 15 H ASP 15 13.346 6.541 -1.151 118 HA ASP 15 HA ASP 15 14.848 8.989 -1.059 119 HB2 ASP 15 HB2 ASP 15 13.420 7.894 0.753 120 HB3 ASP 15 HB3 ASP 15 14.782 6.823 1.063 121 H GLU 16 H GLU 16 15.938 5.551 -0.838 122 HA GLU 16 HA GLU 16 18.732 6.053 -0.681 123 HB2 GLU 16 HB2 GLU 16 17.762 3.838 -0.285 124 HB3 GLU 16 HB3 GLU 16 17.146 3.788 -1.931 125 HG2 GLU 16 HG2 GLU 16 19.097 2.386 -1.758 126 HG3 GLU 16 HG3 GLU 16 19.383 3.717 -2.871 127 H ALA 17 H ALA 17 16.580 5.884 -3.583 128 HA ALA 17 HA ALA 17 18.702 6.187 -5.452 129 HB1 ALA 17 HB1 ALA 17 15.762 6.955 -5.681 130 HB2 ALA 17 HB2 ALA 17 16.904 6.833 -7.035 131 HB3 ALA 17 HB3 ALA 17 16.482 5.388 -6.100 132 H ILE 18 H ILE 18 16.672 8.649 -3.739 133 HA ILE 18 HA ILE 18 17.940 10.972 -4.832 134 HB ILE 18 HB ILE 18 16.559 10.406 -2.200 135 HG12 ILE 18 HG12 ILE 18 15.837 12.318 -4.453 136 HG13 ILE 18 HG13 ILE 18 15.348 10.621 -4.435 137 HG21 ILE 18 HG21 ILE 18 16.649 12.843 -1.670 138 HG22 ILE 18 HG22 ILE 18 18.223 12.079 -1.577 139 HG23 ILE 18 HG23 ILE 18 17.814 13.072 -2.989 140 HD11 ILE 18 HD11 ILE 18 13.525 11.935 -3.614 141 HD12 ILE 18 HD12 ILE 18 14.171 10.979 -2.270 142 HD13 ILE 18 HD13 ILE 18 14.533 12.717 -2.386 143 H ASP 19 H ASP 19 18.978 9.014 -1.944 144 HA ASP 19 HA ASP 19 21.356 10.582 -1.518 145 HB2 ASP 19 HB2 ASP 19 20.485 7.799 -0.682 146 HB3 ASP 19 HB3 ASP 19 22.099 8.410 -0.320 147 H ASN 20 H ASN 20 20.842 7.680 -3.583 148 HA ASN 20 HA ASN 20 23.574 7.341 -4.309 149 HB2 ASN 20 HB2 ASN 20 21.688 5.706 -4.648 150 HB3 ASN 20 HB3 ASN 20 21.059 6.731 -5.935 151 HD21 ASN 20 HD22 ASN 20 21.316 4.614 -7.145 152 HD22 ASN 20 HD21 ASN 20 22.898 4.306 -7.847 153 H ILE 21 H ILE 21 20.974 9.331 -5.839 154 HA ILE 21 HA ILE 21 22.644 10.475 -7.897 155 HB ILE 21 HB ILE 21 20.058 11.352 -6.564 156 HG12 ILE 21 HG12 ILE 21 20.541 10.551 -9.461 157 HG13 ILE 21 HG13 ILE 21 20.270 9.327 -8.217 158 HG21 ILE 21 HG21 ILE 21 21.715 12.765 -8.687 159 HG22 ILE 21 HG22 ILE 21 19.963 13.014 -8.558 160 HG23 ILE 21 HG23 ILE 21 21.009 13.441 -7.206 161 HD11 ILE 21 HD11 ILE 21 18.090 10.362 -7.628 162 HD12 ILE 21 HD12 ILE 21 18.311 11.544 -8.929 163 HD13 ILE 21 HD13 ILE 21 18.165 9.818 -9.313 164 H LEU 22 H LEU 22 21.857 11.601 -4.564 165 HA LEU 22 HA LEU 22 23.311 14.007 -4.632 166 HB2 LEU 22 HB2 LEU 22 21.655 13.192 -2.912 167 HB3 LEU 22 HB3 LEU 22 22.873 12.066 -2.323 168 HG LEU 22 HG LEU 22 24.329 14.025 -1.730 169 HD11 LEU 22 HD11 LEU 22 23.173 16.233 -1.517 170 HD12 LEU 22 HD12 LEU 22 23.373 15.752 -3.204 171 HD13 LEU 22 HD13 LEU 22 21.786 15.574 -2.421 172 HD21 LEU 22 HD21 LEU 22 22.982 14.619 0.267 173 HD22 LEU 22 HD22 LEU 22 21.558 13.855 -0.481 174 HD23 LEU 22 HD23 LEU 22 22.984 12.882 -0.057 175 H ARG 23 H ARG 23 24.490 10.720 -3.738 176 HA ARG 23 HA ARG 23 27.222 11.573 -3.335 177 HB2 ARG 23 HB2 ARG 23 26.314 9.595 -2.229 178 HB3 ARG 23 HB3 ARG 23 25.956 8.830 -3.775 179 HG2 ARG 23 HG2 ARG 23 27.951 7.855 -2.742 180 HG3 ARG 23 HG3 ARG 23 28.324 8.597 -4.291 181 HD2 ARG 23 HD2 ARG 23 29.152 10.659 -2.966 182 HD3 ARG 23 HD3 ARG 23 28.937 9.684 -1.517 183 HE ARG 23 HE ARG 23 30.812 8.423 -2.067 184 HH11 ARG 23 HH11 ARG 23 30.090 10.422 -4.908 185 HH12 ARG 23 HH12 ARG 23 31.642 10.060 -5.616 186 HH21 ARG 23 HH21 ARG 23 32.733 8.040 -3.066 187 HH22 ARG 23 HH22 ARG 23 33.084 8.747 -4.615 188 H TYR 24 H TYR 24 25.550 10.190 -6.209 189 HA TYR 24 HA TYR 24 27.914 9.888 -7.795 190 HB2 TYR 24 HB2 TYR 24 25.818 8.734 -8.246 191 HB3 TYR 24 HB3 TYR 24 24.982 10.260 -8.499 192 HD1 TYR 24 HD2 TYR 24 28.066 8.515 -9.821 193 HD2 TYR 24 HD1 TYR 24 24.482 10.757 -10.715 194 HE1 TYR 24 HE2 TYR 24 28.554 8.340 -12.265 195 HE2 TYR 24 HE1 TYR 24 24.962 10.549 -13.150 196 HH TYR 24 HH TYR 24 26.392 9.724 -14.764 197 H THR 25 H THR 25 25.595 12.627 -7.533 198 HA THR 25 HA THR 25 27.123 14.349 -9.343 199 HB THR 25 HB THR 25 25.680 16.153 -8.495 200 HG1 THR 25 HG1 THR 25 24.305 14.225 -6.967 201 HG21 THR 25 HG21 THR 25 24.137 13.619 -9.219 202 HG22 THR 25 HG22 THR 25 23.502 15.276 -9.258 203 HG23 THR 25 HG23 THR 25 24.817 14.805 -10.351 204 H ASN 26 H ASN 26 27.604 13.426 -6.074 205 HA ASN 26 HA ASN 26 28.767 14.191 -4.331 206 HB2 ASN 26 HB2 ASN 26 30.535 13.625 -6.048 207 HB3 ASN 26 HB3 ASN 26 30.661 15.346 -6.402 208 HD21 ASN 26 HD22 ASN 26 32.968 14.961 -5.741 209 HD22 ASN 26 HD21 ASN 26 33.340 14.998 -4.030 210 H SER 27 H SER 27 26.608 15.752 -4.788 211 HA SER 27 HA SER 27 27.514 18.572 -4.260 212 HB2 SER 27 HB2 SER 27 26.450 18.024 -6.534 213 HB3 SER 27 HB3 SER 27 24.939 17.795 -5.635 214 HG SER 27 HG SER 27 26.533 20.147 -5.943 215 H THR 28 H THR 28 25.284 19.804 -3.587 216 HA THR 28 HA THR 28 24.468 18.549 -0.997 217 HB THR 28 HB THR 28 25.636 20.604 -0.661 218 HG1 THR 28 HG1 THR 28 24.134 21.464 0.679 219 HG21 THR 28 HG21 THR 28 25.150 21.818 -2.780 220 HG22 THR 28 HG22 THR 28 23.456 22.007 -2.262 221 HG23 THR 28 HG23 THR 28 24.766 22.777 -1.352 222 H GLU 29 H GLU 29 22.317 18.650 -0.290 223 HA GLU 29 HA GLU 29 20.483 17.722 -2.254 224 HB2 GLU 29 HB2 GLU 29 19.918 18.752 0.555 225 HB3 GLU 29 HB3 GLU 29 18.861 17.702 -0.408 226 HG2 GLU 29 HG2 GLU 29 20.502 15.922 -0.390 227 HG3 GLU 29 HG3 GLU 29 21.654 16.910 0.519 228 H GLN 30 H GLN 30 20.896 20.974 -0.856 229 HA GLN 30 HA GLN 30 18.497 22.147 -1.925 230 HB2 GLN 30 HB2 GLN 30 21.206 23.444 -1.352 231 HB3 GLN 30 HB3 GLN 30 19.670 24.288 -1.586 232 HG2 GLN 30 HG2 GLN 30 18.754 23.082 0.428 233 HG3 GLN 30 HG3 GLN 30 20.361 22.394 0.695 234 HE21 GLN 30 HE22 GLN 30 22.171 23.933 1.228 235 HE22 GLN 30 HE21 GLN 30 21.747 25.488 1.923 236 H GLN 31 H GLN 31 21.792 21.759 -3.310 237 HA GLN 31 HA GLN 31 21.180 23.233 -5.719 238 HB2 GLN 31 HB2 GLN 31 23.467 22.791 -4.644 239 HB3 GLN 31 HB3 GLN 31 23.367 21.156 -5.292 240 HG2 GLN 31 HG2 GLN 31 24.679 22.484 -6.791 241 HG3 GLN 31 HG3 GLN 31 23.143 22.153 -7.597 242 HE21 GLN 31 HE22 GLN 31 24.817 24.715 -5.618 243 HE22 GLN 31 HE21 GLN 31 23.957 26.030 -6.396 244 H PHE 32 H PHE 32 21.059 19.732 -4.875 245 HA PHE 32 HA PHE 32 20.230 18.841 -7.483 246 HB2 PHE 32 HB2 PHE 32 21.114 17.351 -5.768 247 HB3 PHE 32 HB3 PHE 32 19.760 17.718 -4.707 248 HD1 PHE 32 HD2 PHE 32 19.034 17.098 -8.327 249 HD2 PHE 32 HD1 PHE 32 19.477 15.299 -4.421 250 HE1 PHE 32 HE2 PHE 32 17.746 15.137 -9.083 251 HE2 PHE 32 HE1 PHE 32 18.222 13.312 -5.217 252 HZ PHE 32 HZ PHE 32 17.302 13.254 -7.525 253 H LEU 33 H LEU 33 18.260 19.921 -4.631 254 HA LEU 33 HA LEU 33 15.753 19.639 -5.953 255 HB2 LEU 33 HB2 LEU 33 16.029 19.834 -3.560 256 HB3 LEU 33 HB3 LEU 33 16.641 21.469 -3.688 257 HG LEU 33 HG LEU 33 14.290 21.186 -2.832 258 HD11 LEU 33 HD11 LEU 33 14.401 22.929 -5.307 259 HD12 LEU 33 HD12 LEU 33 13.368 23.106 -3.885 260 HD13 LEU 33 HD13 LEU 33 15.116 23.344 -3.735 261 HD21 LEU 33 HD21 LEU 33 12.462 20.852 -4.424 262 HD22 LEU 33 HD22 LEU 33 13.602 20.569 -5.740 263 HD23 LEU 33 HD23 LEU 33 13.511 19.420 -4.383 264 H GLU 34 H GLU 34 17.906 22.508 -5.807 265 HA GLU 34 HA GLU 34 16.233 24.175 -7.403 266 HB2 GLU 34 HB2 GLU 34 19.202 24.156 -6.805 267 HB3 GLU 34 HB3 GLU 34 18.489 25.370 -7.865 268 HG2 GLU 34 HG2 GLU 34 17.430 24.878 -5.060 269 HG3 GLU 34 HG3 GLU 34 18.768 25.974 -5.382 270 H ALA 35 H ALA 35 18.768 21.873 -8.433 271 HA ALA 35 HA ALA 35 18.534 22.508 -11.248 272 HB1 ALA 35 HB1 ALA 35 19.482 19.972 -9.848 273 HB2 ALA 35 HB2 ALA 35 19.775 20.401 -11.550 274 HB3 ALA 35 HB3 ALA 35 20.477 21.391 -10.253 275 H MET 36 H MET 36 16.816 20.147 -9.135 276 HA MET 36 HA MET 36 15.230 19.000 -11.269 277 HB2 MET 36 HB2 MET 36 14.932 19.147 -8.249 278 HB3 MET 36 HB3 MET 36 13.724 18.379 -9.277 279 HG2 MET 36 HG2 MET 36 16.662 17.631 -9.403 280 HG3 MET 36 HG3 MET 36 15.555 16.860 -8.285 281 HE1 MET 36 HE1 MET 36 12.925 16.251 -9.547 282 HE2 MET 36 HE2 MET 36 13.208 14.725 -10.409 283 HE3 MET 36 HE3 MET 36 13.939 14.999 -8.813 284 H GLU 37 H GLU 37 14.543 21.788 -9.028 285 HA GLU 37 HA GLU 37 11.996 22.362 -10.228 286 HB2 GLU 37 HB2 GLU 37 13.987 24.078 -8.719 287 HB3 GLU 37 HB3 GLU 37 12.398 24.662 -9.197 288 HG2 GLU 37 HG2 GLU 37 12.698 22.159 -7.482 289 HG3 GLU 37 HG3 GLU 37 12.732 23.779 -6.797 290 H SER 38 H SER 38 15.298 23.535 -11.037 291 HA SER 38 HA SER 38 14.602 25.308 -13.138 292 HB2 SER 38 HB2 SER 38 16.814 25.161 -12.081 293 HB3 SER 38 HB3 SER 38 17.046 23.539 -12.743 294 HG SER 38 HG SER 38 16.791 25.976 -14.216 295 H THR 39 H THR 39 14.758 21.757 -13.162 296 HA THR 39 HA THR 39 14.500 21.699 -16.142 297 HB THR 39 HB THR 39 15.154 19.333 -15.956 298 HG1 THR 39 HG1 THR 39 15.874 19.882 -13.300 299 HG21 THR 39 HG21 THR 39 17.500 19.700 -15.257 300 HG22 THR 39 HG22 THR 39 16.916 20.958 -16.367 301 HG23 THR 39 HG23 THR 39 17.073 21.303 -14.639 302 H GLY 40 H GLY 40 12.382 21.659 -13.571 303 HA2 GLY 40 HA2 GLY 40 10.133 21.162 -13.517 304 HA3 GLY 40 HA3 GLY 40 10.218 20.580 -15.186 305 H GLY 41 H GLY 41 12.269 19.316 -12.586 306 HA2 GLY 41 HA2 GLY 41 12.204 17.351 -11.378 307 HA3 GLY 41 HA3 GLY 41 10.613 16.958 -12.040 308 H ARG 42 H ARG 42 13.256 17.624 -14.320 309 HA ARG 42 HA ARG 42 13.090 14.789 -15.254 310 HB2 ARG 42 HB2 ARG 42 14.084 17.394 -16.431 311 HB3 ARG 42 HB3 ARG 42 14.717 15.880 -17.054 312 HG2 ARG 42 HG2 ARG 42 11.735 16.443 -16.900 313 HG3 ARG 42 HG3 ARG 42 12.749 16.856 -18.295 314 HD2 ARG 42 HD2 ARG 42 13.465 14.439 -18.442 315 HD3 ARG 42 HD3 ARG 42 12.268 14.063 -17.183 316 HE ARG 42 HE ARG 42 10.995 15.540 -19.282 317 HH11 ARG 42 HH11 ARG 42 12.225 12.296 -18.746 318 HH12 ARG 42 HH12 ARG 42 11.140 11.599 -19.917 319 HH21 ARG 42 HH21 ARG 42 9.637 14.583 -20.746 320 HH22 ARG 42 HH22 ARG 42 9.711 12.867 -21.011 321 H VAL 43 H VAL 43 14.158 13.650 -13.703 322 HA VAL 43 HA VAL 43 16.452 14.345 -12.281 323 HB VAL 43 HB VAL 43 15.613 11.566 -13.207 324 HG11 VAL 43 HG11 VAL 43 16.869 10.766 -11.197 325 HG12 VAL 43 HG12 VAL 43 17.941 11.449 -12.421 326 HG13 VAL 43 HG13 VAL 43 17.529 12.406 -10.982 327 HG21 VAL 43 HG21 VAL 43 15.109 13.047 -10.584 328 HG22 VAL 43 HG22 VAL 43 13.884 12.766 -11.845 329 HG23 VAL 43 HG23 VAL 43 14.578 11.397 -10.978 330 H ARG 44 H ARG 44 16.456 12.701 -15.512 331 HA ARG 44 HA ARG 44 19.273 12.428 -15.681 332 HB2 ARG 44 HB2 ARG 44 18.973 12.007 -18.007 333 HB3 ARG 44 HB3 ARG 44 17.694 11.230 -17.091 334 HG2 ARG 44 HG2 ARG 44 16.132 13.144 -17.777 335 HG3 ARG 44 HG3 ARG 44 17.443 13.748 -18.798 336 HD2 ARG 44 HD2 ARG 44 16.157 10.999 -19.026 337 HD3 ARG 44 HD3 ARG 44 15.769 12.371 -20.047 338 HE ARG 44 HE ARG 44 18.172 10.671 -20.136 339 HH11 ARG 44 HH11 ARG 44 16.756 13.626 -21.427 340 HH12 ARG 44 HH12 ARG 44 17.910 13.696 -22.726 341 HH21 ARG 44 HH22 ARG 44 19.597 10.847 -21.818 342 HH22 ARG 44 HH21 ARG 44 19.454 12.157 -22.951 343 H ILE 45 H ILE 45 17.277 15.239 -16.564 344 HA ILE 45 HA ILE 45 19.551 16.685 -17.729 345 HB ILE 45 HB ILE 45 16.833 17.806 -16.978 346 HG12 ILE 45 HG12 ILE 45 17.768 16.602 -19.630 347 HG13 ILE 45 HG13 ILE 45 16.548 15.911 -18.558 348 HG21 ILE 45 HG21 ILE 45 17.411 19.589 -18.573 349 HG22 ILE 45 HG22 ILE 45 18.710 19.470 -17.398 350 HG23 ILE 45 HG23 ILE 45 18.915 18.761 -19.006 351 HD11 ILE 45 HD11 ILE 45 16.272 18.450 -20.195 352 HD12 ILE 45 HD12 ILE 45 15.375 16.935 -20.347 353 HD13 ILE 45 HD13 ILE 45 15.127 17.959 -18.919 354 H ALA 46 H ALA 46 17.816 16.631 -14.586 355 HA ALA 46 HA ALA 46 19.193 18.823 -13.404 356 HB1 ALA 46 HB1 ALA 46 18.372 17.868 -11.282 357 HB2 ALA 46 HB2 ALA 46 17.105 17.833 -12.524 358 HB3 ALA 46 HB3 ALA 46 17.974 16.344 -12.099 359 H ILE 47 H ILE 47 19.973 15.259 -13.259 360 HA ILE 47 HA ILE 47 22.433 15.766 -11.844 361 HB ILE 47 HB ILE 47 22.996 13.476 -12.121 362 HG12 ILE 47 HG12 ILE 47 20.783 13.292 -14.185 363 HG13 ILE 47 HG13 ILE 47 22.509 13.078 -14.464 364 HG21 ILE 47 HG21 ILE 47 21.144 12.495 -10.968 365 HG22 ILE 47 HG22 ILE 47 21.210 14.208 -10.514 366 HG23 ILE 47 HG23 ILE 47 19.994 13.638 -11.667 367 HD11 ILE 47 HD11 ILE 47 20.691 11.225 -12.873 368 HD12 ILE 47 HD12 ILE 47 21.481 10.910 -14.424 369 HD13 ILE 47 HD13 ILE 47 22.466 11.071 -12.953 370 H ALA 48 H ALA 48 21.731 15.512 -15.376 371 HA ALA 48 HA ALA 48 24.412 15.787 -16.257 372 HB1 ALA 48 HB1 ALA 48 21.806 16.850 -17.430 373 HB2 ALA 48 HB2 ALA 48 23.351 16.728 -18.303 374 HB3 ALA 48 HB3 ALA 48 22.530 15.260 -17.739 375 H LYS 49 H LYS 49 22.083 18.417 -15.306 376 HA LYS 49 HA LYS 49 23.974 20.547 -15.766 377 HB2 LYS 49 HB2 LYS 49 21.438 20.389 -14.083 378 HB3 LYS 49 HB3 LYS 49 22.429 21.848 -14.205 379 HG2 LYS 49 HG2 LYS 49 22.190 21.777 -16.705 380 HG3 LYS 49 HG3 LYS 49 21.121 20.395 -16.540 381 HD2 LYS 49 HD2 LYS 49 19.736 22.282 -16.854 382 HD3 LYS 49 HD3 LYS 49 19.564 21.851 -15.142 383 HE2 LYS 49 HE2 LYS 49 21.050 23.670 -14.475 384 HE3 LYS 49 HE3 LYS 49 21.516 23.970 -16.155 385 HZ1 LYS 49 HZ1 LYS 49 19.891 25.599 -15.437 386 HZ2 LYS 49 HZ2 LYS 49 19.224 24.687 -16.607 387 HZ3 LYS 49 HZ3 LYS 49 18.782 24.470 -15.043 388 H LEU 50 H LEU 50 23.321 18.642 -12.772 389 HA LEU 50 HA LEU 50 25.241 20.085 -11.164 390 HB2 LEU 50 HB2 LEU 50 23.983 17.320 -11.076 391 HB3 LEU 50 HB3 LEU 50 25.428 17.591 -10.135 392 HG LEU 50 HG LEU 50 23.578 17.820 -8.694 393 HD11 LEU 50 HD11 LEU 50 24.023 19.890 -7.664 394 HD12 LEU 50 HD12 LEU 50 25.536 19.404 -8.439 395 HD13 LEU 50 HD13 LEU 50 24.522 20.665 -9.183 396 HD21 LEU 50 HD21 LEU 50 21.797 18.391 -10.210 397 HD22 LEU 50 HD22 LEU 50 21.895 19.622 -8.937 398 HD23 LEU 50 HD23 LEU 50 22.532 19.978 -10.556 399 H LEU 51 H LEU 51 25.703 17.202 -13.291 400 HA LEU 51 HA LEU 51 28.514 16.965 -12.650 401 HB2 LEU 51 HB2 LEU 51 26.792 15.920 -14.933 402 HB3 LEU 51 HB3 LEU 51 28.488 15.486 -14.728 403 HG LEU 51 HG LEU 51 26.393 14.958 -12.573 404 HD11 LEU 51 HD11 LEU 51 27.461 13.074 -14.713 405 HD12 LEU 51 HD12 LEU 51 26.390 12.641 -13.363 406 HD13 LEU 51 HD13 LEU 51 25.809 13.733 -14.627 407 HD21 LEU 51 HD21 LEU 51 28.699 14.957 -11.720 408 HD22 LEU 51 HD22 LEU 51 28.050 13.315 -11.765 409 HD23 LEU 51 HD23 LEU 51 29.195 13.845 -13.013 410 H SER 52 H SER 52 26.785 18.853 -15.117 411 HA SER 52 HA SER 52 29.205 19.758 -16.461 412 HB2 SER 52 HB2 SER 52 26.433 21.022 -16.372 413 HB3 SER 52 HB3 SER 52 27.750 21.465 -17.468 414 HG SER 52 HG SER 52 26.346 18.984 -17.336 415 H LYS 53 H LYS 53 27.236 21.057 -13.779 416 HA LYS 53 HA LYS 53 28.651 23.553 -13.539 417 HB2 LYS 53 HB2 LYS 53 26.302 23.060 -12.808 418 HB3 LYS 53 HB3 LYS 53 26.948 22.077 -11.474 419 HG2 LYS 53 HG2 LYS 53 28.120 24.082 -10.608 420 HG3 LYS 53 HG3 LYS 53 27.481 25.039 -11.963 421 HD2 LYS 53 HD2 LYS 53 25.149 24.433 -11.130 422 HD3 LYS 53 HD3 LYS 53 25.899 23.736 -9.694 423 HE2 LYS 53 HE2 LYS 53 26.099 26.642 -10.643 424 HE3 LYS 53 HE3 LYS 53 25.068 26.059 -9.342 425 HZ1 LYS 53 HZ1 LYS 53 27.118 25.411 -8.117 426 HZ2 LYS 53 HZ2 LYS 53 28.049 26.047 -9.309 427 HZ3 LYS 53 HZ3 LYS 53 27.083 27.011 -8.430 428 H GLN 54 H GLN 54 29.068 20.419 -11.971 429 HA GLN 54 HA GLN 54 30.553 19.547 -10.496 430 HB2 GLN 54 HB2 GLN 54 32.526 21.585 -11.600 431 HB3 GLN 54 HB3 GLN 54 32.912 20.109 -10.716 432 HG2 GLN 54 HG2 GLN 54 31.866 18.753 -12.536 433 HG3 GLN 54 HG3 GLN 54 31.571 20.235 -13.450 434 HE21 GLN 54 HE22 GLN 54 34.178 18.119 -12.153 435 HE22 GLN 54 HE21 GLN 54 35.397 18.744 -13.251 436 H THR 55 H THR 55 32.559 20.569 -8.823 437 HA THR 55 HA THR 55 31.391 22.796 -7.281 438 HB THR 55 HB THR 55 30.306 20.792 -6.356 439 HG1 THR 55 HG1 THR 55 30.794 21.337 -4.239 440 HG21 THR 55 HG21 THR 55 31.538 19.172 -5.017 441 HG22 THR 55 HG22 THR 55 32.111 19.104 -6.690 442 HG23 THR 55 HG23 THR 55 33.085 19.925 -5.445 443 H SER 56 H SER 56 32.827 23.808 -5.837 444 HA SER 56 HA SER 56 35.627 23.047 -5.636 445 HB2 SER 56 HB2 SER 56 35.450 24.093 -7.941 446 HB3 SER 56 HB3 SER 56 34.964 25.602 -7.152 447 HG SER 56 HG SER 56 37.259 25.452 -7.579 448 H GLY 57 H GLY 57 36.849 24.633 -4.304 449 HA2 GLY 57 HA2 GLY 57 37.121 26.051 -2.488 450 HA3 GLY 57 HA3 GLY 57 35.604 26.821 -2.936 451 H GLY 58 H GLY 58 34.648 27.037 -0.966 452 HA2 GLY 58 HA2 GLY 58 33.247 26.379 0.759 453 HA3 GLY 58 HA3 GLY 58 33.537 24.683 0.362 454 H SER 59 H SER 59 36.432 26.482 0.880 455 HA SER 59 HA SER 59 37.251 24.988 3.162 456 HB2 SER 59 HB2 SER 59 38.385 27.601 2.085 457 HB3 SER 59 HB3 SER 59 39.208 26.459 3.166 458 HG SER 59 HG SER 59 39.802 26.156 0.950 459 H GLY 60 H GLY 60 37.792 25.685 5.292 460 HA2 GLY 60 HA2 GLY 60 37.559 26.848 7.288 461 HA3 GLY 60 HA3 GLY 60 36.937 28.228 6.395 462 H GLY 61 H GLY 61 35.324 28.636 7.940 463 HA2 GLY 61 HA2 GLY 61 33.140 28.590 8.721 464 HA3 GLY 61 HA3 GLY 61 32.803 27.257 7.625 465 H SER 62 H SER 62 31.589 26.113 9.123 466 HA SER 62 HA SER 62 33.082 24.610 11.198 467 HB2 SER 62 HB2 SER 62 32.064 26.557 12.346 468 HB3 SER 62 HB3 SER 62 30.465 26.056 11.763 469 HG SER 62 HG SER 62 31.014 25.320 13.931 470 H LYS 63 H LYS 63 32.009 22.711 11.910 471 HA LYS 63 HA LYS 63 29.848 21.636 10.178 472 HB2 LYS 63 HB2 LYS 63 31.058 19.463 9.951 473 HB3 LYS 63 HB3 LYS 63 31.716 20.819 9.072 474 HG2 LYS 63 HG2 LYS 63 33.494 19.472 9.931 475 HG3 LYS 63 HG3 LYS 63 33.546 21.071 10.672 476 HD2 LYS 63 HD2 LYS 63 32.678 20.191 12.780 477 HD3 LYS 63 HD3 LYS 63 32.314 18.635 12.020 478 HE2 LYS 63 HE2 LYS 63 34.292 18.365 13.342 479 HE3 LYS 63 HE3 LYS 63 34.708 18.210 11.636 480 HZ1 LYS 63 HZ1 LYS 63 36.317 19.583 12.851 481 HZ2 LYS 63 HZ2 LYS 63 35.602 20.485 11.705 482 HZ3 LYS 63 HZ3 LYS 63 35.175 20.659 13.281 483 H LEU 64 H LEU 64 29.669 22.701 12.757 484 HA LEU 64 HA LEU 64 28.961 20.339 14.456 485 HB2 LEU 64 HB2 LEU 64 29.745 23.164 15.265 486 HB3 LEU 64 HB3 LEU 64 29.407 21.833 16.367 487 HG LEU 64 HG LEU 64 31.719 21.892 14.367 488 HD11 LEU 64 HD11 LEU 64 31.979 23.560 16.171 489 HD12 LEU 64 HD12 LEU 64 31.694 22.298 17.391 490 HD13 LEU 64 HD13 LEU 64 33.138 22.233 16.353 491 HD21 LEU 64 HD21 LEU 64 32.580 19.967 15.689 492 HD22 LEU 64 HD22 LEU 64 31.078 19.955 16.639 493 HD23 LEU 64 HD23 LEU 64 31.047 19.580 14.904 494 H GLY 65 H GLY 65 27.225 20.686 16.032 495 HA2 GLY 65 HA2 GLY 65 25.098 21.360 16.692 496 HA3 GLY 65 HA3 GLY 65 25.158 22.686 15.538 497 H GLY 66 H GLY 66 22.875 22.083 15.280 498 HA2 GLY 66 HA2 GLY 66 22.315 20.588 12.896 499 HA3 GLY 66 HA3 GLY 66 21.857 19.644 14.316 500 H SER 67 H SER 67 19.711 19.847 13.240 501 HA SER 67 HA SER 67 18.176 22.123 14.364 502 HB2 SER 67 HB2 SER 67 18.690 22.837 12.085 503 HB3 SER 67 HB3 SER 67 18.073 21.304 11.437 504 HG SER 67 HG SER 67 16.560 23.142 11.414 505 H GLY 68 H GLY 68 16.091 21.669 14.901 506 HA2 GLY 68 HA2 GLY 68 15.179 18.874 15.034 507 HA3 GLY 68 HA3 GLY 68 14.382 20.301 15.698 508 H GLY 69 H GLY 69 14.999 21.208 12.591 509 HA2 GLY 69 HA2 GLY 69 12.246 21.018 11.781 510 HA3 GLY 69 HA3 GLY 69 13.580 21.729 10.877 511 H SER 70 H SER 70 14.036 18.372 11.695 512 HA SER 70 HA SER 70 14.065 17.621 8.900 513 HB2 SER 70 HB2 SER 70 15.583 16.702 10.667 514 HB3 SER 70 HB3 SER 70 14.202 15.782 11.310 515 HG SER 70 HG SER 70 15.477 14.579 9.771 516 H ARG 71 H ARG 71 12.813 16.063 7.839 517 HA ARG 71 HA ARG 71 9.919 16.177 8.435 518 HB2 ARG 71 HB2 ARG 71 11.523 14.978 6.137 519 HB3 ARG 71 HB3 ARG 71 9.770 14.976 6.186 520 HG2 ARG 71 HG2 ARG 71 11.191 17.636 6.415 521 HG3 ARG 71 HG3 ARG 71 11.170 16.797 4.870 522 HD2 ARG 71 HD2 ARG 71 9.349 18.358 4.891 523 HD3 ARG 71 HD3 ARG 71 8.710 16.711 4.902 524 HE ARG 71 HE ARG 71 8.975 18.051 7.543 525 HH11 ARG 71 HH11 ARG 71 6.732 17.590 4.845 526 HH12 ARG 71 HH12 ARG 71 5.354 17.722 5.905 527 HH21 ARG 71 HH21 ARG 71 7.202 18.178 8.776 528 HH22 ARG 71 HH22 ARG 71 5.598 18.089 8.077 529 H LYS 72 H LYS 72 8.556 14.311 8.250 530 HA LYS 72 HA LYS 72 9.456 11.936 9.743 531 HB2 LYS 72 HB2 LYS 72 6.833 12.454 8.266 532 HB3 LYS 72 HB3 LYS 72 7.136 11.158 9.411 533 HG2 LYS 72 HG2 LYS 72 7.018 14.141 10.018 534 HG3 LYS 72 HG3 LYS 72 5.811 12.936 10.427 535 HD2 LYS 72 HD2 LYS 72 8.632 13.086 11.594 536 HD3 LYS 72 HD3 LYS 72 7.146 13.641 12.366 537 HE2 LYS 72 HE2 LYS 72 6.228 11.317 12.276 538 HE3 LYS 72 HE3 LYS 72 7.762 10.749 11.601 539 HZ1 LYS 72 HZ1 LYS 72 7.424 12.019 14.278 540 HZ2 LYS 72 HZ2 LYS 72 7.697 10.435 14.009 541 HZ3 LYS 72 HZ3 LYS 72 8.858 11.529 13.664 542 H ASP 73 H ASP 73 9.235 9.756 8.864 543 HA ASP 73 HA ASP 73 10.533 9.521 6.260 544 HB2 ASP 73 HB2 ASP 73 11.224 8.245 8.266 545 HB3 ASP 73 HB3 ASP 73 9.685 7.383 8.243 546 H LEU 74 H LEU 74 8.630 10.580 5.280 547 HA LEU 74 HA LEU 74 6.112 9.246 5.135 548 HB2 LEU 74 HB2 LEU 74 5.412 11.191 3.816 549 HB3 LEU 74 HB3 LEU 74 6.240 11.583 5.302 550 HG LEU 74 HG LEU 74 8.370 11.946 3.819 551 HD11 LEU 74 HD11 LEU 74 7.535 11.057 1.669 552 HD12 LEU 74 HD12 LEU 74 6.183 12.208 1.705 553 HD13 LEU 74 HD13 LEU 74 7.851 12.787 1.537 554 HD21 LEU 74 HD21 LEU 74 5.977 13.824 3.640 555 HD22 LEU 74 HD22 LEU 74 7.139 13.732 4.986 556 HD23 LEU 74 HD23 LEU 74 7.681 14.268 3.392 557 H SER 75 H SER 75 4.837 8.695 3.387 558 HA SER 75 HA SER 75 6.178 7.139 1.273 559 HB2 SER 75 HB2 SER 75 3.243 7.477 2.020 560 HB3 SER 75 HB3 SER 75 3.838 6.452 0.703 561 HG SER 75 HG SER 75 4.452 6.180 3.483 562 H VAL 76 H VAL 76 5.597 7.342 -0.984 563 HA VAL 76 HA VAL 76 5.506 10.216 -1.759 564 HB VAL 76 HB VAL 76 6.610 9.539 -3.820 565 HG11 VAL 76 HG11 VAL 76 8.766 9.027 -2.855 566 HG12 VAL 76 HG12 VAL 76 7.894 10.169 -1.813 567 HG13 VAL 76 HG13 VAL 76 8.011 8.461 -1.345 568 HG21 VAL 76 HG21 VAL 76 7.484 7.285 -4.149 569 HG22 VAL 76 HG22 VAL 76 6.764 6.729 -2.636 570 HG23 VAL 76 HG23 VAL 76 5.720 7.191 -4.003 571 H LYS 77 H LYS 77 3.219 7.935 -1.629 572 HA LYS 77 HA LYS 77 1.181 7.558 -2.445 573 HB2 LYS 77 HB2 LYS 77 1.371 10.334 -3.660 574 HB3 LYS 77 HB3 LYS 77 -0.099 9.379 -3.484 575 HG2 LYS 77 HG2 LYS 77 0.227 9.337 -1.011 576 HG3 LYS 77 HG3 LYS 77 1.653 10.377 -1.195 577 HD2 LYS 77 HD2 LYS 77 0.243 12.137 -2.227 578 HD3 LYS 77 HD3 LYS 77 -1.188 11.095 -2.055 579 HE2 LYS 77 HE2 LYS 77 -0.845 11.061 0.418 580 HE3 LYS 77 HE3 LYS 77 0.564 12.112 0.236 581 HZ1 LYS 77 HZ1 LYS 77 -0.922 13.831 -0.682 582 HZ2 LYS 77 HZ2 LYS 77 -2.224 12.855 -0.512 583 HZ3 LYS 77 HZ3 LYS 77 -1.428 13.392 0.805 584 H GLY 78 H GLY 78 -0.142 6.864 -4.064 585 HA2 GLY 78 HA2 GLY 78 -0.670 5.763 -6.014 586 HA3 GLY 78 HA3 GLY 78 0.521 6.745 -6.861 587 H MET 79 H MET 79 0.561 4.523 -7.986 588 HA MET 79 HA MET 79 2.230 2.430 -6.845 589 HB2 MET 79 HB2 MET 79 0.682 2.104 -8.770 590 HB3 MET 79 HB3 MET 79 1.710 3.149 -9.762 591 HG2 MET 79 HG2 MET 79 3.601 1.582 -9.456 592 HG3 MET 79 HG3 MET 79 2.595 0.539 -8.448 593 HE1 MET 79 HE1 MET 79 0.723 -1.049 -9.320 594 HE2 MET 79 HE2 MET 79 -0.215 0.319 -9.970 595 HE3 MET 79 HE3 MET 79 0.129 -1.087 -10.992 596 H LEU 80 H LEU 80 4.507 2.210 -6.970 597 HA LEU 80 HA LEU 80 5.976 4.632 -7.843 598 HB2 LEU 80 HB2 LEU 80 7.174 4.780 -5.813 599 HB3 LEU 80 HB3 LEU 80 5.458 4.824 -5.463 600 HG LEU 80 HG LEU 80 7.273 2.407 -5.046 601 HD11 LEU 80 HD11 LEU 80 7.822 4.324 -3.579 602 HD12 LEU 80 HD12 LEU 80 6.116 4.408 -3.061 603 HD13 LEU 80 HD13 LEU 80 7.105 2.990 -2.662 604 HD21 LEU 80 HD21 LEU 80 5.340 1.694 -3.516 605 HD22 LEU 80 HD22 LEU 80 4.356 2.931 -4.311 606 HD23 LEU 80 HD23 LEU 80 5.033 1.561 -5.240 607 H TYR 81 H TYR 81 8.171 4.575 -8.156 608 HA TYR 81 HA TYR 81 9.462 1.960 -8.591 609 HB2 TYR 81 HB2 TYR 81 8.168 2.382 -10.648 610 HB3 TYR 81 HB3 TYR 81 8.926 3.959 -10.825 611 HD1 TYR 81 HD1 TYR 81 9.841 0.315 -10.440 612 HD2 TYR 81 HD2 TYR 81 10.786 4.113 -12.268 613 HE1 TYR 81 HE1 TYR 81 11.750 -0.735 -11.652 614 HE2 TYR 81 HE2 TYR 81 12.691 3.053 -13.479 615 HH TYR 81 HH TYR 81 13.885 1.118 -13.855 616 H ASP 82 H ASP 82 11.751 2.136 -9.133 617 HA ASP 82 HA ASP 82 13.128 3.744 -7.276 618 HB2 ASP 82 HB2 ASP 82 13.820 1.542 -8.187 619 HB3 ASP 82 HB3 ASP 82 14.153 2.294 -9.747 620 H SER 83 H SER 83 12.732 4.258 -10.786 621 HA SER 83 HA SER 83 14.395 6.714 -10.698 622 HB2 SER 83 HB2 SER 83 13.276 5.328 -13.142 623 HB3 SER 83 HB3 SER 83 14.599 6.501 -13.069 624 HG SER 83 HG SER 83 15.822 4.919 -11.900 625 H ASP 84 H ASP 84 11.329 6.498 -9.907 626 HA ASP 84 HA ASP 84 9.860 7.802 -11.974 627 HB2 ASP 84 HB2 ASP 84 8.911 6.356 -10.219 628 HB3 ASP 84 HB3 ASP 84 9.268 7.592 -9.014 629 H SER 85 H SER 85 9.879 9.870 -12.653 630 HA SER 85 HA SER 85 11.534 11.859 -11.567 631 HB2 SER 85 HB2 SER 85 10.267 13.385 -13.162 632 HB3 SER 85 HB3 SER 85 10.954 11.917 -13.883 633 HG SER 85 HG SER 85 8.766 12.284 -14.545 634 H GLN 86 H GLN 86 7.928 11.760 -11.365 635 HA GLN 86 HA GLN 86 7.841 14.157 -9.777 636 HB2 GLN 86 HB2 GLN 86 5.455 13.711 -9.535 637 HB3 GLN 86 HB3 GLN 86 6.010 13.645 -11.205 638 HG2 GLN 86 HG2 GLN 86 5.964 11.179 -11.158 639 HG3 GLN 86 HG3 GLN 86 5.442 11.211 -9.466 640 HE21 GLN 86 HE22 GLN 86 3.866 9.772 -11.087 641 HE22 GLN 86 HE21 GLN 86 2.391 10.657 -11.460 642 H GLN 87 H GLN 87 7.867 10.685 -8.805 643 HA GLN 87 HA GLN 87 7.379 11.329 -6.007 644 HB2 GLN 87 HB2 GLN 87 8.451 8.885 -7.426 645 HB3 GLN 87 HB3 GLN 87 8.165 8.943 -5.687 646 HG2 GLN 87 HG2 GLN 87 5.794 9.305 -5.965 647 HG3 GLN 87 HG3 GLN 87 5.954 9.615 -7.683 648 HE21 GLN 87 HE22 GLN 87 4.134 7.670 -6.592 649 HE22 GLN 87 HE21 GLN 87 4.637 6.197 -7.402 650 H ILE 88 H ILE 88 10.399 10.795 -7.904 651 HA ILE 88 HA ILE 88 12.207 11.186 -5.683 652 HB ILE 88 HB ILE 88 12.488 11.692 -8.667 653 HG12 ILE 88 HG12 ILE 88 12.236 9.284 -7.820 654 HG13 ILE 88 HG13 ILE 88 13.621 9.640 -8.835 655 HG21 ILE 88 HG21 ILE 88 14.962 11.772 -8.269 656 HG22 ILE 88 HG22 ILE 88 14.095 13.168 -7.622 657 HG23 ILE 88 HG23 ILE 88 14.640 11.898 -6.522 658 HD11 ILE 88 HD11 ILE 88 14.032 8.115 -6.892 659 HD12 ILE 88 HD12 ILE 88 15.125 9.509 -6.956 660 HD13 ILE 88 HD13 ILE 88 13.771 9.487 -5.800 661 H LEU 89 H LEU 89 10.734 13.555 -8.022 662 HA LEU 89 HA LEU 89 11.830 15.852 -6.764 663 HB2 LEU 89 HB2 LEU 89 10.762 15.914 -8.992 664 HB3 LEU 89 HB3 LEU 89 9.220 15.437 -8.299 665 HG LEU 89 HG LEU 89 9.036 17.581 -7.090 666 HD11 LEU 89 HD11 LEU 89 11.592 18.354 -8.553 667 HD12 LEU 89 HD12 LEU 89 10.574 19.444 -7.600 668 HD13 LEU 89 HD13 LEU 89 11.444 18.138 -6.788 669 HD21 LEU 89 HD21 LEU 89 8.656 18.999 -9.039 670 HD22 LEU 89 HD22 LEU 89 9.649 17.930 -10.049 671 HD23 LEU 89 HD23 LEU 89 8.112 17.347 -9.366 672 H ASN 90 H ASN 90 8.578 14.360 -6.097 673 HA ASN 90 HA ASN 90 7.890 16.244 -4.117 674 HB2 ASN 90 HB2 ASN 90 7.047 13.339 -4.545 675 HB3 ASN 90 HB3 ASN 90 6.321 14.382 -3.322 676 HD21 ASN 90 HD22 ASN 90 4.576 13.374 -5.085 677 HD22 ASN 90 HD21 ASN 90 4.085 14.621 -6.214 678 H ARG 91 H ARG 91 9.557 13.038 -3.584 679 HA ARG 91 HA ARG 91 9.766 13.586 -0.743 680 HB2 ARG 91 HB2 ARG 91 9.952 11.295 -2.110 681 HB3 ARG 91 HB3 ARG 91 11.681 11.653 -2.055 682 HG2 ARG 91 HG2 ARG 91 11.436 11.939 0.484 683 HG3 ARG 91 HG3 ARG 91 9.747 11.460 0.305 684 HD2 ARG 91 HD2 ARG 91 10.741 9.314 -0.853 685 HD3 ARG 91 HD3 ARG 91 12.235 9.780 -0.043 686 HE ARG 91 HE ARG 91 9.660 8.901 1.193 687 HH11 ARG 91 HH11 ARG 91 12.961 9.999 2.041 688 HH12 ARG 91 HH12 ARG 91 12.761 9.306 3.629 689 HH21 ARG 91 HH21 ARG 91 9.688 7.951 3.081 690 HH22 ARG 91 HH22 ARG 91 11.081 8.028 4.132 691 H LEU 92 H LEU 92 11.919 14.396 -3.474 692 HA LEU 92 HA LEU 92 14.100 15.280 -1.775 693 HB2 LEU 92 HB2 LEU 92 14.369 14.698 -4.155 694 HB3 LEU 92 HB3 LEU 92 13.289 16.013 -4.617 695 HG LEU 92 HG LEU 92 14.960 17.656 -3.705 696 HD11 LEU 92 HD11 LEU 92 16.175 16.214 -2.105 697 HD12 LEU 92 HD12 LEU 92 16.746 15.200 -3.461 698 HD13 LEU 92 HD13 LEU 92 17.272 16.893 -3.315 699 HD21 LEU 92 HD21 LEU 92 15.910 15.692 -5.827 700 HD22 LEU 92 HD22 LEU 92 14.865 17.110 -6.076 701 HD23 LEU 92 HD23 LEU 92 16.563 17.321 -5.582 702 H ARG 93 H ARG 93 11.199 16.914 -3.135 703 HA ARG 93 HA ARG 93 11.997 19.559 -2.266 704 HB2 ARG 93 HB2 ARG 93 10.455 18.967 -4.167 705 HB3 ARG 93 HB3 ARG 93 9.205 18.540 -2.989 706 HG2 ARG 93 HG2 ARG 93 9.193 20.895 -2.171 707 HG3 ARG 93 HG3 ARG 93 10.557 21.273 -3.230 708 HD2 ARG 93 HD2 ARG 93 8.966 20.383 -5.145 709 HD3 ARG 93 HD3 ARG 93 7.676 20.709 -3.992 710 HE ARG 93 HE ARG 93 9.378 22.629 -5.459 711 HH11 ARG 93 HH11 ARG 93 7.119 22.497 -2.749 712 HH12 ARG 93 HH12 ARG 93 6.851 24.215 -2.838 713 HH21 ARG 93 HH21 ARG 93 9.051 24.608 -5.502 714 HH22 ARG 93 HH22 ARG 93 7.946 25.443 -4.402 715 H GLU 94 H GLU 94 9.840 17.082 -0.813 716 HA GLU 94 HA GLU 94 9.293 18.551 1.602 717 HB2 GLU 94 HB2 GLU 94 9.488 15.575 0.957 718 HB3 GLU 94 HB3 GLU 94 9.022 16.162 2.546 719 HG2 GLU 94 HG2 GLU 94 7.589 16.838 -0.059 720 HG3 GLU 94 HG3 GLU 94 7.084 15.592 1.083 721 H ARG 95 H ARG 95 11.858 16.098 0.950 722 HA ARG 95 HA ARG 95 13.125 16.214 3.475 723 HB2 ARG 95 HB2 ARG 95 13.340 14.429 1.837 724 HB3 ARG 95 HB3 ARG 95 14.144 15.516 0.693 725 HG2 ARG 95 HG2 ARG 95 16.114 15.630 2.066 726 HG3 ARG 95 HG3 ARG 95 15.335 14.713 3.376 727 HD2 ARG 95 HD2 ARG 95 15.309 12.697 2.132 728 HD3 ARG 95 HD3 ARG 95 15.497 13.533 0.578 729 HE ARG 95 HE ARG 95 17.827 14.201 1.803 730 HH11 ARG 95 HH11 ARG 95 16.477 10.909 1.368 731 HH12 ARG 95 HH12 ARG 95 18.128 10.302 1.261 732 HH21 ARG 95 HH21 ARG 95 19.625 13.320 1.649 733 HH22 ARG 95 HH22 ARG 95 19.858 11.567 1.416 734 H VAL 96 H VAL 96 13.679 18.297 0.643 735 HA VAL 96 HA VAL 96 15.856 19.750 1.985 736 HB VAL 96 HB VAL 96 14.464 20.095 -0.685 737 HG11 VAL 96 HG11 VAL 96 15.185 22.343 -0.034 738 HG12 VAL 96 HG12 VAL 96 16.774 21.713 0.475 739 HG13 VAL 96 HG13 VAL 96 16.297 21.703 -1.236 740 HG21 VAL 96 HG21 VAL 96 16.697 19.359 -1.510 741 HG22 VAL 96 HG22 VAL 96 17.281 19.274 0.163 742 HG23 VAL 96 HG23 VAL 96 16.029 18.150 -0.412 743 H SER 97 H SER 97 12.362 20.402 1.351 744 HA SER 97 HA SER 97 12.539 23.140 2.217 745 HB2 SER 97 HB2 SER 97 10.103 21.327 2.099 746 HB3 SER 97 HB3 SER 97 10.078 23.084 2.350 747 HG SER 97 HG SER 97 10.873 21.609 0.078 748 H GLY 98 H GLY 98 11.879 20.106 3.967 749 HA2 GLY 98 HA2 GLY 98 12.125 19.658 6.232 750 HA3 GLY 98 HA3 GLY 98 12.513 21.338 6.538 751 H SER 99 H SER 99 11.135 20.274 8.409 752 HA SER 99 HA SER 99 8.218 20.644 8.167 753 HB2 SER 99 HB2 SER 99 10.030 19.992 10.521 754 HB3 SER 99 HB3 SER 99 8.259 20.050 10.589 755 HG SER 99 HG SER 99 9.364 17.932 10.161 756 H THR 100 H THR 100 7.027 22.124 9.532 757 HA THR 100 HA THR 100 8.463 24.338 10.834 758 HB THR 100 HB THR 100 8.225 25.198 8.577 759 HG1 THR 100 HG1 THR 100 7.304 27.098 9.187 760 HG21 THR 100 HG21 THR 100 6.217 23.968 7.798 761 HG22 THR 100 HG22 THR 100 5.207 24.888 8.935 762 HG23 THR 100 HG23 THR 100 6.030 25.718 7.603 763 H ALA 101 H ALA 101 7.207 25.550 12.290 764 HA ALA 101 HA ALA 101 4.826 24.113 13.360 765 HB1 ALA 101 HB1 ALA 101 6.813 24.292 14.810 766 HB2 ALA 101 HB2 ALA 101 6.743 26.063 14.697 767 HB3 ALA 101 HB3 ALA 101 5.425 25.167 15.486 768 H GLN 102 H GLN 102 5.256 26.614 11.282 769 HA GLN 102 HA GLN 102 2.847 28.105 12.220 770 HB2 GLN 102 HB2 GLN 102 3.939 30.235 11.781 771 HB3 GLN 102 HB3 GLN 102 4.789 29.355 13.041 772 HG2 GLN 102 HG2 GLN 102 6.634 28.843 11.606 773 HG3 GLN 102 HG3 GLN 102 5.728 29.230 10.144 774 HE21 GLN 102 HE22 GLN 102 5.252 31.494 9.639 775 HE22 GLN 102 HE21 GLN 102 6.262 32.752 10.354 776 H SER 103 H SER 103 1.988 29.621 10.577 777 HA SER 103 HA SER 103 1.807 28.517 7.896 778 HB2 SER 103 HB2 SER 103 0.919 31.215 8.987 779 HB3 SER 103 HB3 SER 103 0.461 30.523 7.420 780 HG SER 103 HG SER 103 -1.141 30.140 9.045 781 H ALA 104 H ALA 104 2.453 29.557 5.941 782 HA ALA 104 HA ALA 104 4.551 31.638 6.023 783 HB1 ALA 104 HB1 ALA 104 5.768 29.485 6.180 784 HB2 ALA 104 HB2 ALA 104 4.934 28.902 4.721 785 HB3 ALA 104 HB3 ALA 104 6.049 30.276 4.617
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