NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505654 | 2yti | 10188 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 11.952 -30.318 -7.969 2 HA2 GLY 1 1HA GLY 1 9.856 -28.736 -8.052 3 HA3 GLY 1 2HA GLY 1 10.218 -29.589 -6.558 4 H SER 2 H SER 2 8.790 -27.320 -6.368 5 HA SER 2 HA SER 2 10.658 -25.548 -4.988 6 HB2 SER 2 1HB SER 2 8.627 -24.565 -7.009 7 HB3 SER 2 2HB SER 2 9.605 -23.536 -5.963 8 HG SER 2 HG SER 2 10.558 -25.316 -7.960 9 H SER 3 H SER 3 9.512 -23.986 -3.566 10 HA SER 3 HA SER 3 6.923 -25.060 -2.656 11 HB2 SER 3 1HB SER 3 9.176 -24.021 -0.920 12 HB3 SER 3 2HB SER 3 7.605 -24.574 -0.341 13 HG SER 3 HG SER 3 8.155 -26.629 -1.360 14 H GLY 4 H GLY 4 5.374 -23.608 -2.947 15 HA2 GLY 4 1HA GLY 4 6.065 -20.763 -3.016 16 HA3 GLY 4 2HA GLY 4 4.567 -21.478 -3.593 17 H SER 5 H SER 5 5.898 -19.620 -1.213 18 HA SER 5 HA SER 5 4.461 -20.521 1.069 19 HB2 SER 5 1HB SER 5 5.869 -17.949 0.379 20 HB3 SER 5 2HB SER 5 4.977 -18.131 1.889 21 HG SER 5 HG SER 5 7.171 -19.691 0.992 22 H SER 6 H SER 6 2.561 -19.770 1.971 23 HA SER 6 HA SER 6 0.921 -17.999 0.283 24 HB2 SER 6 1HB SER 6 -0.081 -20.444 1.761 25 HB3 SER 6 2HB SER 6 -1.040 -19.368 0.745 26 HG SER 6 HG SER 6 -0.430 -21.198 -0.426 27 H GLY 7 H GLY 7 1.028 -16.173 1.495 28 HA2 GLY 7 1HA GLY 7 0.638 -16.325 4.382 29 HA3 GLY 7 2HA GLY 7 1.066 -14.890 3.463 30 H THR 8 H THR 8 -0.751 -14.448 5.295 31 HA THR 8 HA THR 8 -3.338 -14.488 3.882 32 HB THR 8 HB THR 8 -2.932 -14.255 6.868 33 HG1 THR 8 HG1 THR 8 -2.819 -16.361 6.872 34 HG21 THR 8 3HG2 THR 8 -5.234 -14.315 7.089 35 HG22 THR 8 1HG2 THR 8 -5.472 -15.058 5.508 36 HG23 THR 8 2HG2 THR 8 -5.046 -13.351 5.624 37 H GLY 9 H GLY 9 -3.445 -12.558 2.871 38 HA2 GLY 9 1HA GLY 9 -4.176 -10.239 4.080 39 HA3 GLY 9 2HA GLY 9 -2.421 -10.148 4.080 40 H GLU 10 H GLU 10 -4.893 -11.203 1.733 41 HA GLU 10 HA GLU 10 -3.478 -9.636 -0.311 42 HB2 GLU 10 1HB GLU 10 -3.694 -11.995 -0.846 43 HB3 GLU 10 2HB GLU 10 -5.431 -11.926 -0.585 44 HG2 GLU 10 1HG GLU 10 -5.495 -10.220 -2.462 45 HG3 GLU 10 2HG GLU 10 -3.836 -10.705 -2.811 46 H LYS 11 H LYS 11 -4.307 -7.666 -0.539 47 HA LYS 11 HA LYS 11 -7.190 -7.408 -0.959 48 HB2 LYS 11 1HB LYS 11 -5.575 -5.784 1.008 49 HB3 LYS 11 2HB LYS 11 -7.158 -5.292 0.422 50 HG2 LYS 11 1HG LYS 11 -6.665 -7.919 1.795 51 HG3 LYS 11 2HG LYS 11 -7.118 -6.445 2.654 52 HD2 LYS 11 1HD LYS 11 -9.057 -6.384 0.887 53 HD3 LYS 11 2HD LYS 11 -8.714 -8.111 0.759 54 HE2 LYS 11 1HE LYS 11 -10.370 -7.992 2.396 55 HE3 LYS 11 2HE LYS 11 -8.876 -8.127 3.321 56 HZ1 LYS 11 3HZ LYS 11 -10.393 -6.421 4.190 57 HZ2 LYS 11 1HZ LYS 11 -10.271 -5.573 2.731 58 HZ3 LYS 11 2HZ LYS 11 -8.907 -5.770 3.711 59 HA PRO 12 HA PRO 12 -6.028 -4.786 -4.284 60 HB2 PRO 12 1HB PRO 12 -8.167 -3.118 -4.401 61 HB3 PRO 12 2HB PRO 12 -8.238 -4.808 -4.913 62 HG2 PRO 12 1HG PRO 12 -9.120 -3.572 -2.333 63 HG3 PRO 12 2HG PRO 12 -9.937 -4.794 -3.325 64 HD2 PRO 12 1HD PRO 12 -8.529 -5.427 -1.101 65 HD3 PRO 12 2HD PRO 12 -8.639 -6.512 -2.502 66 H TYR 13 H TYR 13 -6.058 -3.744 -1.137 67 HA TYR 13 HA TYR 13 -5.221 -1.017 -1.872 68 HB2 TYR 13 1HB TYR 13 -6.216 -2.026 0.801 69 HB3 TYR 13 2HB TYR 13 -5.763 -0.366 0.429 70 HD1 TYR 13 HD2 TYR 13 -8.201 -3.037 -0.399 71 HD2 TYR 13 HD1 TYR 13 -7.318 1.123 -0.527 72 HE1 TYR 13 HE2 TYR 13 -10.509 -2.575 -1.111 73 HE2 TYR 13 HE1 TYR 13 -9.624 1.597 -1.239 74 HH TYR 13 HH TYR 13 -11.494 0.508 -2.265 75 H LYS 14 H LYS 14 -3.568 -3.423 -1.988 76 HA LYS 14 HA LYS 14 -1.738 -3.178 0.255 77 HB2 LYS 14 1HB LYS 14 -1.999 -5.408 -0.421 78 HB3 LYS 14 2HB LYS 14 -1.920 -4.997 -2.129 79 HG2 LYS 14 1HG LYS 14 0.442 -4.574 -1.972 80 HG3 LYS 14 2HG LYS 14 0.403 -4.808 -0.223 81 HD2 LYS 14 1HD LYS 14 -0.187 -7.132 -0.504 82 HD3 LYS 14 2HD LYS 14 -0.316 -6.922 -2.252 83 HE2 LYS 14 1HE LYS 14 2.146 -6.142 -2.095 84 HE3 LYS 14 2HE LYS 14 2.130 -6.938 -0.522 85 HZ1 LYS 14 3HZ LYS 14 1.472 -8.993 -1.608 86 HZ2 LYS 14 1HZ LYS 14 2.925 -8.417 -2.257 87 HZ3 LYS 14 2HZ LYS 14 1.481 -8.229 -3.117 88 H CYS 15 H CYS 15 0.050 -1.977 0.269 89 HA CYS 15 HA CYS 15 0.633 -0.167 -1.819 90 HB2 CYS 15 1HB CYS 15 1.208 0.447 0.421 91 HB3 CYS 15 2HB CYS 15 2.192 -0.998 0.630 92 H ASN 16 H ASN 16 2.723 0.018 -2.944 93 HA ASN 16 HA ASN 16 3.677 -2.634 -3.794 94 HB2 ASN 16 1HB ASN 16 3.270 -0.052 -5.250 95 HB3 ASN 16 2HB ASN 16 4.509 -1.166 -5.820 96 HD21 ASN 16 1HD2 ASN 16 2.292 -0.449 -7.330 97 HD22 ASN 16 2HD2 ASN 16 1.292 -1.842 -7.546 98 H GLU 17 H GLU 17 4.657 0.578 -2.775 99 HA GLU 17 HA GLU 17 7.377 0.491 -3.267 100 HB2 GLU 17 1HB GLU 17 5.712 1.822 -1.165 101 HB3 GLU 17 2HB GLU 17 7.465 1.896 -1.052 102 HG2 GLU 17 1HG GLU 17 6.125 2.647 -3.605 103 HG3 GLU 17 2HG GLU 17 6.140 3.782 -2.256 104 H CYS 18 H CYS 18 5.760 -0.425 -0.220 105 HA CYS 18 HA CYS 18 8.135 -2.006 0.481 106 HB2 CYS 18 1HB CYS 18 7.282 -1.944 2.786 107 HB3 CYS 18 2HB CYS 18 7.484 -0.322 2.133 108 H GLY 19 H GLY 19 4.582 -2.172 0.455 109 HA2 GLY 19 1HA GLY 19 3.621 -4.202 -0.572 110 HA3 GLY 19 2HA GLY 19 4.838 -5.113 0.311 111 H LYS 20 H LYS 20 3.036 -2.419 1.657 112 HA LYS 20 HA LYS 20 2.100 -4.112 3.805 113 HB2 LYS 20 1HB LYS 20 2.929 -1.595 3.850 114 HB3 LYS 20 2HB LYS 20 1.232 -1.270 3.521 115 HG2 LYS 20 1HG LYS 20 0.538 -2.102 5.557 116 HG3 LYS 20 2HG LYS 20 1.989 -3.087 5.766 117 HD2 LYS 20 1HD LYS 20 3.297 -1.229 6.358 118 HD3 LYS 20 2HD LYS 20 2.110 -0.085 5.727 119 HE2 LYS 20 1HE LYS 20 0.666 -0.408 7.536 120 HE3 LYS 20 2HE LYS 20 1.441 -1.921 8.002 121 HZ1 LYS 20 3HZ LYS 20 1.902 0.436 9.183 122 HZ2 LYS 20 1HZ LYS 20 3.167 0.399 8.060 123 HZ3 LYS 20 2HZ LYS 20 2.997 -0.853 9.184 124 H VAL 21 H VAL 21 -0.206 -3.904 4.542 125 HA VAL 21 HA VAL 21 -2.047 -3.782 2.244 126 HB VAL 21 HB VAL 21 -2.165 -5.780 4.508 127 HG11 VAL 21 1HG1 VAL 21 -4.091 -6.677 3.512 128 HG12 VAL 21 2HG1 VAL 21 -4.347 -4.931 3.491 129 HG13 VAL 21 3HG1 VAL 21 -3.848 -5.768 2.021 130 HG21 VAL 21 3HG2 VAL 21 -0.356 -6.264 2.935 131 HG22 VAL 21 1HG2 VAL 21 -1.652 -7.453 2.805 132 HG23 VAL 21 2HG2 VAL 21 -1.497 -6.182 1.592 133 H PHE 22 H PHE 22 -4.081 -2.943 2.616 134 HA PHE 22 HA PHE 22 -4.715 -2.029 5.325 135 HB2 PHE 22 1HB PHE 22 -4.781 -0.240 2.886 136 HB3 PHE 22 2HB PHE 22 -5.316 0.206 4.503 137 HD1 PHE 22 HD1 PHE 22 -3.709 0.605 6.281 138 HD2 PHE 22 HD2 PHE 22 -2.446 -0.369 2.335 139 HE1 PHE 22 HE1 PHE 22 -1.434 1.369 6.824 140 HE2 PHE 22 HE2 PHE 22 -0.169 0.391 2.872 141 HZ PHE 22 HZ PHE 22 0.340 1.261 5.119 142 H THR 23 H THR 23 -7.008 -0.888 5.184 143 HA THR 23 HA THR 23 -8.735 -2.731 3.668 144 HB THR 23 HB THR 23 -9.472 -1.205 6.171 145 HG1 THR 23 HG1 THR 23 -9.296 -3.400 7.097 146 HG21 THR 23 3HG2 THR 23 -10.823 -3.421 4.631 147 HG22 THR 23 1HG2 THR 23 -11.411 -1.777 4.878 148 HG23 THR 23 2HG2 THR 23 -11.317 -2.894 6.239 149 H GLN 24 H GLN 24 -8.353 0.627 4.717 150 HA GLN 24 HA GLN 24 -10.376 1.428 2.738 151 HB2 GLN 24 1HB GLN 24 -10.516 2.091 5.248 152 HB3 GLN 24 2HB GLN 24 -9.264 3.257 4.842 153 HG2 GLN 24 1HG GLN 24 -11.561 4.178 4.788 154 HG3 GLN 24 2HG GLN 24 -10.685 4.344 3.267 155 HE21 GLN 24 1HE2 GLN 24 -11.821 3.892 1.535 156 HE22 GLN 24 2HE2 GLN 24 -13.158 2.801 1.442 157 H ASN 25 H ASN 25 -9.924 3.006 1.212 158 HA ASN 25 HA ASN 25 -7.425 3.043 0.050 159 HB2 ASN 25 1HB ASN 25 -9.379 3.753 -1.180 160 HB3 ASN 25 2HB ASN 25 -9.619 5.118 -0.095 161 HD21 ASN 25 1HD2 ASN 25 -8.274 4.088 -2.973 162 HD22 ASN 25 2HD2 ASN 25 -7.276 5.460 -3.302 163 H SER 26 H SER 26 -8.861 5.693 1.962 164 HA SER 26 HA SER 26 -6.774 7.436 2.055 165 HB2 SER 26 1HB SER 26 -7.605 8.089 4.342 166 HB3 SER 26 2HB SER 26 -8.860 8.006 3.105 167 HG SER 26 HG SER 26 -8.297 6.141 5.158 168 H HIS 27 H HIS 27 -7.270 4.714 4.295 169 HA HIS 27 HA HIS 27 -5.029 5.048 5.882 170 HB2 HIS 27 1HB HIS 27 -6.209 2.409 4.993 171 HB3 HIS 27 2HB HIS 27 -5.219 2.679 6.424 172 HD1 HIS 27 HD1 HIS 27 -8.024 1.475 6.692 173 HD2 HIS 27 HD2 HIS 27 -7.206 5.537 6.990 174 HE1 HIS 27 HE1 HIS 27 -9.922 2.447 8.026 175 H LEU 28 H LEU 28 -5.309 3.602 2.694 176 HA LEU 28 HA LEU 28 -2.602 2.625 2.671 177 HB2 LEU 28 1HB LEU 28 -3.950 1.342 1.325 178 HB3 LEU 28 2HB LEU 28 -4.860 2.730 0.733 179 HG LEU 28 HG LEU 28 -2.897 3.359 -0.653 180 HD11 LEU 28 1HD1 LEU 28 -1.407 1.133 -0.950 181 HD12 LEU 28 2HD1 LEU 28 -1.744 1.061 0.779 182 HD13 LEU 28 3HD1 LEU 28 -0.962 2.485 0.092 183 HD21 LEU 28 3HD2 LEU 28 -3.519 1.997 -2.382 184 HD22 LEU 28 1HD2 LEU 28 -4.868 1.728 -1.278 185 HD23 LEU 28 2HD2 LEU 28 -3.560 0.549 -1.375 186 H ALA 29 H ALA 29 -4.288 5.045 0.658 187 HA ALA 29 HA ALA 29 -2.188 6.167 -0.647 188 HB1 ALA 29 3HB ALA 29 -4.053 8.169 0.420 189 HB2 ALA 29 1HB ALA 29 -3.622 7.789 -1.247 190 HB3 ALA 29 2HB ALA 29 -4.808 6.800 -0.395 191 H ARG 30 H ARG 30 -3.360 7.210 2.556 192 HA ARG 30 HA ARG 30 -1.466 9.180 3.041 193 HB2 ARG 30 1HB ARG 30 -2.090 9.062 5.324 194 HB3 ARG 30 2HB ARG 30 -3.530 8.638 4.408 195 HG2 ARG 30 1HG ARG 30 -3.215 6.307 4.883 196 HG3 ARG 30 2HG ARG 30 -1.662 6.634 5.653 197 HD2 ARG 30 1HD ARG 30 -4.275 7.781 6.616 198 HD3 ARG 30 2HD ARG 30 -3.593 6.273 7.223 199 HE ARG 30 HE ARG 30 -1.817 8.542 7.370 200 HH11 ARG 30 1HH1 ARG 30 -4.275 6.679 8.985 201 HH12 ARG 30 2HH1 ARG 30 -3.809 7.195 10.572 202 HH21 ARG 30 1HH2 ARG 30 -1.194 9.230 9.454 203 HH22 ARG 30 2HH2 ARG 30 -2.056 8.647 10.837 204 H HIS 31 H HIS 31 -1.299 5.699 3.632 205 HA HIS 31 HA HIS 31 1.132 5.664 5.033 206 HB2 HIS 31 1HB HIS 31 0.043 3.642 5.182 207 HB3 HIS 31 2HB HIS 31 -0.450 3.660 3.491 208 HD1 HIS 31 HD1 HIS 31 2.526 2.883 5.671 209 HD2 HIS 31 HD2 HIS 31 1.237 2.339 1.758 210 HE1 HIS 31 HE1 HIS 31 4.189 1.312 4.627 211 H ARG 32 H ARG 32 0.467 5.237 1.564 212 HA ARG 32 HA ARG 32 3.010 4.756 0.640 213 HB2 ARG 32 1HB ARG 32 0.779 6.353 -0.620 214 HB3 ARG 32 2HB ARG 32 2.252 5.916 -1.474 215 HG2 ARG 32 1HG ARG 32 1.748 3.603 -1.343 216 HG3 ARG 32 2HG ARG 32 0.427 3.892 -0.209 217 HD2 ARG 32 1HD ARG 32 -0.409 3.447 -2.463 218 HD3 ARG 32 2HD ARG 32 -0.814 5.080 -1.934 219 HE ARG 32 HE ARG 32 1.489 5.442 -3.293 220 HH11 ARG 32 1HH1 ARG 32 -1.496 3.824 -4.065 221 HH12 ARG 32 2HH1 ARG 32 -1.377 4.136 -5.765 222 HH21 ARG 32 1HH2 ARG 32 1.657 5.858 -5.530 223 HH22 ARG 32 2HH2 ARG 32 0.417 5.292 -6.597 224 H GLY 33 H GLY 33 1.749 7.662 1.994 225 HA2 GLY 33 1HA GLY 33 3.346 9.622 0.848 226 HA3 GLY 33 2HA GLY 33 2.747 9.666 2.500 227 H ILE 34 H ILE 34 4.131 7.342 3.424 228 HA ILE 34 HA ILE 34 6.495 8.452 4.347 229 HB ILE 34 HB ILE 34 7.098 6.302 5.177 230 HG12 ILE 34 1HG1 ILE 34 5.114 5.156 3.200 231 HG13 ILE 34 2HG1 ILE 34 6.866 5.037 3.088 232 HG21 ILE 34 1HG2 ILE 34 5.434 6.524 6.628 233 HG22 ILE 34 2HG2 ILE 34 4.435 7.323 5.415 234 HG23 ILE 34 3HG2 ILE 34 4.412 5.566 5.557 235 HD11 ILE 34 3HD1 ILE 34 5.014 3.363 4.484 236 HD12 ILE 34 1HD1 ILE 34 6.738 3.131 4.197 237 HD13 ILE 34 2HD1 ILE 34 6.192 4.035 5.610 238 H HIS 35 H HIS 35 5.876 6.616 1.430 239 HA HIS 35 HA HIS 35 8.681 6.343 0.785 240 HB2 HIS 35 1HB HIS 35 6.294 5.817 -0.993 241 HB3 HIS 35 2HB HIS 35 7.936 5.222 -1.216 242 HD1 HIS 35 HD1 HIS 35 8.719 3.763 1.117 243 HD2 HIS 35 HD2 HIS 35 4.718 3.877 0.002 244 HE1 HIS 35 HE1 HIS 35 7.654 1.776 2.231 245 H THR 36 H THR 36 5.920 8.240 -0.369 246 HA THR 36 HA THR 36 7.625 9.724 -2.203 247 HB THR 36 HB THR 36 5.555 10.885 -2.875 248 HG1 THR 36 HG1 THR 36 3.594 9.679 -1.901 249 HG21 THR 36 3HG2 THR 36 4.297 8.754 -3.619 250 HG22 THR 36 1HG2 THR 36 5.620 7.886 -2.843 251 HG23 THR 36 2HG2 THR 36 5.953 8.990 -4.177 252 H GLY 37 H GLY 37 8.961 11.009 -0.987 253 HA2 GLY 37 1HA GLY 37 7.733 13.349 0.194 254 HA3 GLY 37 2HA GLY 37 8.587 12.326 1.339 255 H GLU 38 H GLU 38 10.847 12.125 1.196 256 HA GLU 38 HA GLU 38 12.242 14.439 0.555 257 HB2 GLU 38 1HB GLU 38 14.276 13.138 0.886 258 HB3 GLU 38 2HB GLU 38 13.080 12.732 2.109 259 HG2 GLU 38 1HG GLU 38 13.343 11.088 -0.375 260 HG3 GLU 38 2HG GLU 38 14.424 10.842 0.996 261 H LYS 39 H LYS 39 13.813 14.878 -1.081 262 HA LYS 39 HA LYS 39 13.162 13.590 -3.645 263 HB2 LYS 39 1HB LYS 39 13.998 15.674 -4.691 264 HB3 LYS 39 2HB LYS 39 12.627 15.950 -3.626 265 HG2 LYS 39 1HG LYS 39 13.972 16.923 -1.967 266 HG3 LYS 39 2HG LYS 39 15.458 16.320 -2.704 267 HD2 LYS 39 1HD LYS 39 15.382 17.887 -4.427 268 HD3 LYS 39 2HD LYS 39 13.662 18.205 -4.190 269 HE2 LYS 39 1HE LYS 39 14.075 19.430 -2.202 270 HE3 LYS 39 2HE LYS 39 15.750 18.885 -2.132 271 HZ1 LYS 39 3HZ LYS 39 15.370 20.152 -4.587 272 HZ2 LYS 39 1HZ LYS 39 16.323 20.665 -3.287 273 HZ3 LYS 39 2HZ LYS 39 14.710 21.161 -3.400 274 HA PRO 40 HA PRO 40 17.240 11.951 -3.886 275 HB2 PRO 40 1HB PRO 40 17.441 11.678 -6.579 276 HB3 PRO 40 2HB PRO 40 16.443 10.617 -5.578 277 HG2 PRO 40 1HG PRO 40 15.629 12.975 -7.232 278 HG3 PRO 40 2HG PRO 40 14.836 11.398 -7.066 279 HD2 PRO 40 1HD PRO 40 13.983 13.603 -5.746 280 HD3 PRO 40 2HD PRO 40 13.838 11.969 -5.068 281 H SER 41 H SER 41 18.928 13.227 -3.437 282 HA SER 41 HA SER 41 19.415 15.791 -4.285 283 HB2 SER 41 1HB SER 41 21.751 15.442 -3.621 284 HB3 SER 41 2HB SER 41 20.656 14.691 -2.460 285 HG SER 41 HG SER 41 21.106 12.695 -3.368 286 H GLY 42 H GLY 42 20.994 16.676 -5.777 287 HA2 GLY 42 1HA GLY 42 22.157 16.770 -7.778 288 HA3 GLY 42 2HA GLY 42 21.999 15.025 -7.912 289 HA PRO 43 HA PRO 43 19.023 17.423 -10.768 290 HB2 PRO 43 1HB PRO 43 20.375 17.138 -13.105 291 HB3 PRO 43 2HB PRO 43 20.591 18.527 -12.033 292 HG2 PRO 43 1HG PRO 43 22.282 16.073 -12.317 293 HG3 PRO 43 2HG PRO 43 22.785 17.766 -12.157 294 HD2 PRO 43 1HD PRO 43 22.817 16.035 -10.076 295 HD3 PRO 43 2HD PRO 43 22.494 17.768 -9.871 296 H SER 44 H SER 44 20.245 14.418 -10.210 297 HA SER 44 HA SER 44 19.791 12.700 -12.199 298 HB2 SER 44 1HB SER 44 20.065 12.323 -9.588 299 HB3 SER 44 2HB SER 44 18.323 12.065 -9.675 300 HG SER 44 HG SER 44 18.753 10.479 -11.302 301 H SER 45 H SER 45 17.219 14.311 -10.374 302 HA SER 45 HA SER 45 15.320 13.462 -12.463 303 HB2 SER 45 1HB SER 45 15.033 13.620 -9.492 304 HB3 SER 45 2HB SER 45 13.619 13.950 -10.493 305 HG SER 45 HG SER 45 13.477 11.902 -10.932 306 H GLY 46 H GLY 46 15.371 15.896 -9.853 307 HA2 GLY 46 1HA GLY 46 14.928 18.148 -9.879 308 HA3 GLY 46 2HA GLY 46 15.571 18.145 -11.515 Start of MODEL 2 1 H1 GLY 1 H GLY 1 10.970 -28.890 7.205 2 HA2 GLY 1 1HA GLY 1 10.584 -29.465 4.706 3 HA3 GLY 1 2HA GLY 1 8.956 -29.810 5.271 4 H SER 2 H SER 2 11.372 -27.205 5.600 5 HA SER 2 HA SER 2 9.371 -25.189 5.882 6 HB2 SER 2 1HB SER 2 11.698 -25.042 6.822 7 HB3 SER 2 2HB SER 2 12.288 -24.801 5.177 8 HG SER 2 HG SER 2 10.213 -23.157 6.039 9 H SER 3 H SER 3 11.514 -26.195 3.242 10 HA SER 3 HA SER 3 11.067 -24.303 1.348 11 HB2 SER 3 1HB SER 3 12.467 -26.396 1.112 12 HB3 SER 3 2HB SER 3 10.981 -27.259 0.717 13 HG SER 3 HG SER 3 10.780 -26.085 -1.125 14 H GLY 4 H GLY 4 9.647 -24.328 -0.588 15 HA2 GLY 4 1HA GLY 4 7.583 -24.432 -1.613 16 HA3 GLY 4 2HA GLY 4 7.136 -25.697 -0.478 17 H SER 5 H SER 5 7.615 -22.182 -0.689 18 HA SER 5 HA SER 5 5.438 -21.873 1.275 19 HB2 SER 5 1HB SER 5 7.866 -20.130 0.809 20 HB3 SER 5 2HB SER 5 6.503 -19.660 1.825 21 HG SER 5 HG SER 5 7.125 -21.036 3.320 22 H SER 6 H SER 6 4.834 -22.201 -1.396 23 HA SER 6 HA SER 6 4.513 -19.622 -2.651 24 HB2 SER 6 1HB SER 6 3.513 -20.822 -4.480 25 HB3 SER 6 2HB SER 6 4.906 -21.753 -3.930 26 HG SER 6 HG SER 6 3.062 -22.748 -2.523 27 H GLY 7 H GLY 7 2.270 -19.058 -3.525 28 HA2 GLY 7 1HA GLY 7 -0.086 -18.996 -3.204 29 HA3 GLY 7 2HA GLY 7 0.137 -19.746 -1.631 30 H THR 8 H THR 8 0.093 -16.775 -3.415 31 HA THR 8 HA THR 8 0.130 -15.303 -0.867 32 HB THR 8 HB THR 8 1.284 -13.427 -1.973 33 HG1 THR 8 HG1 THR 8 0.663 -14.036 -4.149 34 HG21 THR 8 3HG2 THR 8 3.432 -15.044 -2.544 35 HG22 THR 8 1HG2 THR 8 2.466 -16.049 -1.464 36 HG23 THR 8 2HG2 THR 8 2.995 -14.449 -0.943 37 H GLY 9 H GLY 9 -1.266 -13.557 -0.707 38 HA2 GLY 9 1HA GLY 9 -3.348 -13.480 -2.779 39 HA3 GLY 9 2HA GLY 9 -3.538 -12.949 -1.115 40 H GLU 10 H GLU 10 -4.251 -11.477 -3.469 41 HA GLU 10 HA GLU 10 -2.376 -9.214 -3.243 42 HB2 GLU 10 1HB GLU 10 -2.691 -10.480 -5.518 43 HB3 GLU 10 2HB GLU 10 -4.181 -9.552 -5.608 44 HG2 GLU 10 1HG GLU 10 -2.645 -7.520 -5.127 45 HG3 GLU 10 2HG GLU 10 -1.355 -8.597 -5.659 46 H LYS 11 H LYS 11 -3.252 -7.746 -1.940 47 HA LYS 11 HA LYS 11 -6.132 -7.420 -1.782 48 HB2 LYS 11 1HB LYS 11 -3.786 -6.495 -0.199 49 HB3 LYS 11 2HB LYS 11 -5.246 -5.516 -0.137 50 HG2 LYS 11 1HG LYS 11 -5.601 -6.908 1.634 51 HG3 LYS 11 2HG LYS 11 -6.394 -7.824 0.350 52 HD2 LYS 11 1HD LYS 11 -3.500 -8.307 0.857 53 HD3 LYS 11 2HD LYS 11 -4.673 -8.963 2.002 54 HE2 LYS 11 1HE LYS 11 -5.135 -9.383 -0.909 55 HE3 LYS 11 2HE LYS 11 -3.884 -10.336 -0.111 56 HZ1 LYS 11 3HZ LYS 11 -6.024 -10.492 1.573 57 HZ2 LYS 11 1HZ LYS 11 -5.523 -11.689 0.488 58 HZ3 LYS 11 2HZ LYS 11 -6.726 -10.589 0.037 59 HA PRO 12 HA PRO 12 -6.389 -4.038 -4.587 60 HB2 PRO 12 1HB PRO 12 -8.648 -2.863 -3.644 61 HB3 PRO 12 2HB PRO 12 -8.661 -4.378 -4.555 62 HG2 PRO 12 1HG PRO 12 -8.817 -3.945 -1.597 63 HG3 PRO 12 2HG PRO 12 -9.745 -5.062 -2.615 64 HD2 PRO 12 1HD PRO 12 -7.625 -5.861 -1.131 65 HD3 PRO 12 2HD PRO 12 -8.040 -6.612 -2.685 66 H TYR 13 H TYR 13 -5.789 -3.691 -1.276 67 HA TYR 13 HA TYR 13 -5.180 -0.833 -1.647 68 HB2 TYR 13 1HB TYR 13 -6.087 -2.133 0.929 69 HB3 TYR 13 2HB TYR 13 -5.745 -0.424 0.682 70 HD1 TYR 13 HD1 TYR 13 -7.289 0.980 -0.610 71 HD2 TYR 13 HD2 TYR 13 -8.161 -3.107 0.190 72 HE1 TYR 13 HE1 TYR 13 -9.637 1.365 -1.231 73 HE2 TYR 13 HE2 TYR 13 -10.511 -2.733 -0.430 74 HH TYR 13 HH TYR 13 -11.823 -1.147 -1.805 75 H LYS 14 H LYS 14 -3.562 -3.333 -1.935 76 HA LYS 14 HA LYS 14 -1.669 -3.172 0.262 77 HB2 LYS 14 1HB LYS 14 -2.030 -5.379 -0.492 78 HB3 LYS 14 2HB LYS 14 -1.896 -4.912 -2.183 79 HG2 LYS 14 1HG LYS 14 0.452 -4.644 -2.015 80 HG3 LYS 14 2HG LYS 14 0.406 -4.766 -0.255 81 HD2 LYS 14 1HD LYS 14 -0.695 -7.113 -0.826 82 HD3 LYS 14 2HD LYS 14 0.218 -6.896 -2.321 83 HE2 LYS 14 1HE LYS 14 1.784 -7.967 -1.042 84 HE3 LYS 14 2HE LYS 14 2.161 -6.290 -0.653 85 HZ1 LYS 14 3HZ LYS 14 2.007 -7.078 1.438 86 HZ2 LYS 14 1HZ LYS 14 0.992 -8.364 1.016 87 HZ3 LYS 14 2HZ LYS 14 0.352 -6.811 1.210 88 H CYS 15 H CYS 15 0.166 -2.036 0.251 89 HA CYS 15 HA CYS 15 0.721 -0.198 -1.841 90 HB2 CYS 15 1HB CYS 15 1.340 0.520 0.311 91 HB3 CYS 15 2HB CYS 15 2.163 -0.994 0.676 92 H ASN 16 H ASN 16 2.808 -0.027 -2.970 93 HA ASN 16 HA ASN 16 3.748 -2.686 -3.809 94 HB2 ASN 16 1HB ASN 16 4.598 -1.262 -5.839 95 HB3 ASN 16 2HB ASN 16 2.901 -1.722 -5.740 96 HD21 ASN 16 1HD2 ASN 16 4.945 0.762 -6.348 97 HD22 ASN 16 2HD2 ASN 16 3.893 2.094 -6.025 98 H GLU 17 H GLU 17 4.761 0.522 -2.800 99 HA GLU 17 HA GLU 17 7.482 0.396 -3.269 100 HB2 GLU 17 1HB GLU 17 5.790 1.785 -1.242 101 HB3 GLU 17 2HB GLU 17 7.533 1.785 -1.011 102 HG2 GLU 17 1HG GLU 17 6.571 3.769 -2.219 103 HG3 GLU 17 2HG GLU 17 7.907 2.945 -3.020 104 H CYS 18 H CYS 18 5.861 -0.439 -0.200 105 HA CYS 18 HA CYS 18 8.202 -2.059 0.517 106 HB2 CYS 18 1HB CYS 18 7.252 -2.005 2.818 107 HB3 CYS 18 2HB CYS 18 7.619 -0.405 2.181 108 H GLY 19 H GLY 19 4.645 -2.193 0.506 109 HA2 GLY 19 1HA GLY 19 3.671 -4.220 -0.528 110 HA3 GLY 19 2HA GLY 19 4.875 -5.136 0.366 111 H LYS 20 H LYS 20 3.089 -2.418 1.684 112 HA LYS 20 HA LYS 20 2.127 -4.091 3.838 113 HB2 LYS 20 1HB LYS 20 2.986 -1.588 3.882 114 HB3 LYS 20 2HB LYS 20 1.299 -1.238 3.531 115 HG2 LYS 20 1HG LYS 20 0.567 -2.046 5.563 116 HG3 LYS 20 2HG LYS 20 1.997 -3.055 5.793 117 HD2 LYS 20 1HD LYS 20 3.354 -1.128 6.254 118 HD3 LYS 20 2HD LYS 20 2.031 -0.039 5.831 119 HE2 LYS 20 1HE LYS 20 0.790 -1.407 7.728 120 HE3 LYS 20 2HE LYS 20 2.443 -1.683 8.275 121 HZ1 LYS 20 3HZ LYS 20 0.866 0.740 8.318 122 HZ2 LYS 20 1HZ LYS 20 2.463 0.952 7.800 123 HZ3 LYS 20 2HZ LYS 20 2.149 0.264 9.313 124 H VAL 21 H VAL 21 -0.205 -3.710 4.578 125 HA VAL 21 HA VAL 21 -2.012 -3.682 2.251 126 HB VAL 21 HB VAL 21 -2.104 -5.572 4.604 127 HG11 VAL 21 1HG1 VAL 21 -4.353 -4.911 4.110 128 HG12 VAL 21 2HG1 VAL 21 -4.089 -5.131 2.379 129 HG13 VAL 21 3HG1 VAL 21 -4.098 -6.528 3.456 130 HG21 VAL 21 3HG2 VAL 21 -1.716 -6.041 1.649 131 HG22 VAL 21 1HG2 VAL 21 -0.502 -6.234 2.914 132 HG23 VAL 21 2HG2 VAL 21 -1.900 -7.308 2.863 133 H PHE 22 H PHE 22 -4.229 -3.112 2.732 134 HA PHE 22 HA PHE 22 -4.789 -1.902 5.306 135 HB2 PHE 22 1HB PHE 22 -4.776 -0.252 2.769 136 HB3 PHE 22 2HB PHE 22 -5.384 0.289 4.330 137 HD1 PHE 22 HD1 PHE 22 -3.829 0.670 6.200 138 HD2 PHE 22 HD2 PHE 22 -2.449 -0.292 2.291 139 HE1 PHE 22 HE1 PHE 22 -1.580 1.464 6.803 140 HE2 PHE 22 HE2 PHE 22 -0.197 0.500 2.887 141 HZ PHE 22 HZ PHE 22 0.240 1.378 5.146 142 H THR 23 H THR 23 -7.054 -1.083 5.412 143 HA THR 23 HA THR 23 -8.788 -2.825 3.804 144 HB THR 23 HB THR 23 -8.955 -3.127 6.232 145 HG1 THR 23 HG1 THR 23 -11.247 -2.852 6.334 146 HG21 THR 23 3HG2 THR 23 -9.766 -1.397 7.688 147 HG22 THR 23 1HG2 THR 23 -9.983 -0.291 6.332 148 HG23 THR 23 2HG2 THR 23 -8.360 -0.773 6.826 149 H GLN 24 H GLN 24 -8.277 0.514 4.768 150 HA GLN 24 HA GLN 24 -10.434 1.331 2.937 151 HB2 GLN 24 1HB GLN 24 -10.517 1.971 5.435 152 HB3 GLN 24 2HB GLN 24 -9.229 3.104 5.045 153 HG2 GLN 24 1HG GLN 24 -11.284 4.287 4.976 154 HG3 GLN 24 2HG GLN 24 -10.718 4.097 3.317 155 HE21 GLN 24 1HE2 GLN 24 -12.629 2.214 5.647 156 HE22 GLN 24 2HE2 GLN 24 -13.907 1.834 4.548 157 H ASN 25 H ASN 25 -10.023 2.792 1.330 158 HA ASN 25 HA ASN 25 -7.570 2.885 0.113 159 HB2 ASN 25 1HB ASN 25 -8.418 4.908 -1.095 160 HB3 ASN 25 2HB ASN 25 -9.552 3.561 -1.077 161 HD21 ASN 25 1HD2 ASN 25 -11.355 3.662 0.338 162 HD22 ASN 25 2HD2 ASN 25 -11.963 5.185 0.880 163 H SER 26 H SER 26 -8.973 5.497 2.098 164 HA SER 26 HA SER 26 -6.974 7.321 2.101 165 HB2 SER 26 1HB SER 26 -8.483 6.449 4.577 166 HB3 SER 26 2HB SER 26 -7.689 8.005 4.336 167 HG SER 26 HG SER 26 -9.153 8.382 2.608 168 H HIS 27 H HIS 27 -7.190 4.844 4.660 169 HA HIS 27 HA HIS 27 -4.837 5.157 5.926 170 HB2 HIS 27 1HB HIS 27 -5.796 2.417 5.095 171 HB3 HIS 27 2HB HIS 27 -4.894 2.846 6.545 172 HD1 HIS 27 HD1 HIS 27 -7.596 1.342 6.687 173 HD2 HIS 27 HD2 HIS 27 -7.167 5.460 7.033 174 HE1 HIS 27 HE1 HIS 27 -9.625 2.126 7.949 175 H LEU 28 H LEU 28 -5.264 3.567 2.801 176 HA LEU 28 HA LEU 28 -2.513 2.816 2.554 177 HB2 LEU 28 1HB LEU 28 -3.924 1.460 1.327 178 HB3 LEU 28 2HB LEU 28 -4.893 2.815 0.753 179 HG LEU 28 HG LEU 28 -3.009 3.463 -0.732 180 HD11 LEU 28 1HD1 LEU 28 -1.027 2.644 -0.036 181 HD12 LEU 28 2HD1 LEU 28 -1.473 1.287 -1.070 182 HD13 LEU 28 3HD1 LEU 28 -1.747 1.197 0.670 183 HD21 LEU 28 3HD2 LEU 28 -3.609 1.992 -2.411 184 HD22 LEU 28 1HD2 LEU 28 -4.967 1.852 -1.294 185 HD23 LEU 28 2HD2 LEU 28 -3.710 0.615 -1.313 186 H ALA 29 H ALA 29 -4.455 5.061 0.573 187 HA ALA 29 HA ALA 29 -2.538 6.321 -0.844 188 HB1 ALA 29 3HB ALA 29 -5.038 7.384 0.407 189 HB2 ALA 29 1HB ALA 29 -3.974 8.450 -0.511 190 HB3 ALA 29 2HB ALA 29 -4.694 7.039 -1.288 191 H ARG 30 H ARG 30 -3.341 6.979 2.538 192 HA ARG 30 HA ARG 30 -1.493 9.139 2.806 193 HB2 ARG 30 1HB ARG 30 -2.035 9.107 5.134 194 HB3 ARG 30 2HB ARG 30 -3.519 8.787 4.246 195 HG2 ARG 30 1HG ARG 30 -3.506 6.513 4.829 196 HG3 ARG 30 2HG ARG 30 -1.827 6.578 5.367 197 HD2 ARG 30 1HD ARG 30 -4.126 8.026 6.677 198 HD3 ARG 30 2HD ARG 30 -3.443 6.500 7.236 199 HE ARG 30 HE ARG 30 -1.537 8.652 6.990 200 HH11 ARG 30 1HH1 ARG 30 -3.806 7.017 9.064 201 HH12 ARG 30 2HH1 ARG 30 -3.059 7.561 10.529 202 HH21 ARG 30 1HH2 ARG 30 -0.545 9.375 8.913 203 HH22 ARG 30 2HH2 ARG 30 -1.204 8.903 10.442 204 H HIS 31 H HIS 31 -1.384 5.676 3.416 205 HA HIS 31 HA HIS 31 1.007 5.564 4.866 206 HB2 HIS 31 1HB HIS 31 -0.100 3.546 4.899 207 HB3 HIS 31 2HB HIS 31 -0.540 3.637 3.196 208 HD1 HIS 31 HD1 HIS 31 2.457 2.884 5.384 209 HD2 HIS 31 HD2 HIS 31 1.094 2.236 1.513 210 HE1 HIS 31 HE1 HIS 31 4.116 1.307 4.342 211 H ARG 32 H ARG 32 0.444 5.307 1.364 212 HA ARG 32 HA ARG 32 2.997 4.822 0.482 213 HB2 ARG 32 1HB ARG 32 0.958 6.655 -0.793 214 HB3 ARG 32 2HB ARG 32 2.355 5.964 -1.607 215 HG2 ARG 32 1HG ARG 32 1.435 3.873 -1.715 216 HG3 ARG 32 2HG ARG 32 0.426 4.125 -0.289 217 HD2 ARG 32 1HD ARG 32 -1.130 4.176 -1.994 218 HD3 ARG 32 2HD ARG 32 -0.773 5.888 -1.773 219 HE ARG 32 HE ARG 32 0.216 5.928 -3.851 220 HH11 ARG 32 1HH1 ARG 32 -0.400 2.637 -2.898 221 HH12 ARG 32 2HH1 ARG 32 -0.044 1.980 -4.461 222 HH21 ARG 32 1HH2 ARG 32 0.687 5.076 -5.914 223 HH22 ARG 32 2HH2 ARG 32 0.575 3.368 -6.176 224 H GLY 33 H GLY 33 1.816 7.635 2.042 225 HA2 GLY 33 1HA GLY 33 3.463 9.641 1.039 226 HA3 GLY 33 2HA GLY 33 2.848 9.581 2.684 227 H ILE 34 H ILE 34 4.160 7.181 3.474 228 HA ILE 34 HA ILE 34 6.547 8.161 4.479 229 HB ILE 34 HB ILE 34 7.096 5.928 5.146 230 HG12 ILE 34 1HG1 ILE 34 4.982 4.976 3.201 231 HG13 ILE 34 2HG1 ILE 34 6.719 4.851 2.947 232 HG21 ILE 34 1HG2 ILE 34 5.235 6.980 6.319 233 HG22 ILE 34 2HG2 ILE 34 4.102 6.286 5.160 234 HG23 ILE 34 3HG2 ILE 34 5.020 5.231 6.234 235 HD11 ILE 34 3HD1 ILE 34 5.065 3.453 5.027 236 HD12 ILE 34 1HD1 ILE 34 5.939 2.735 3.675 237 HD13 ILE 34 2HD1 ILE 34 6.828 3.456 5.018 238 H HIS 35 H HIS 35 5.888 6.615 1.421 239 HA HIS 35 HA HIS 35 8.705 6.305 0.790 240 HB2 HIS 35 1HB HIS 35 6.333 5.875 -1.031 241 HB3 HIS 35 2HB HIS 35 7.971 5.266 -1.251 242 HD1 HIS 35 HD1 HIS 35 8.698 3.694 1.018 243 HD2 HIS 35 HD2 HIS 35 4.710 3.930 -0.124 244 HE1 HIS 35 HE1 HIS 35 7.586 1.682 2.038 245 H THR 36 H THR 36 5.951 8.262 -0.277 246 HA THR 36 HA THR 36 7.686 9.841 -2.008 247 HB THR 36 HB THR 36 5.603 11.013 -2.671 248 HG1 THR 36 HG1 THR 36 4.342 10.788 -0.834 249 HG21 THR 36 3HG2 THR 36 5.027 8.083 -2.855 250 HG22 THR 36 1HG2 THR 36 6.464 8.744 -3.633 251 HG23 THR 36 2HG2 THR 36 4.866 9.335 -4.087 252 H GLY 37 H GLY 37 8.971 10.908 -0.462 253 HA2 GLY 37 1HA GLY 37 7.592 13.163 0.818 254 HA3 GLY 37 2HA GLY 37 8.628 12.144 1.806 255 H GLU 38 H GLU 38 10.850 11.735 0.517 256 HA GLU 38 HA GLU 38 11.829 14.416 -0.218 257 HB2 GLU 38 1HB GLU 38 13.031 12.251 1.464 258 HB3 GLU 38 2HB GLU 38 14.088 13.350 0.590 259 HG2 GLU 38 1HG GLU 38 13.844 14.238 2.756 260 HG3 GLU 38 2HG GLU 38 12.859 15.242 1.694 261 H LYS 39 H LYS 39 13.665 14.468 -1.694 262 HA LYS 39 HA LYS 39 13.712 12.151 -3.515 263 HB2 LYS 39 1HB LYS 39 14.166 13.886 -5.328 264 HB3 LYS 39 2HB LYS 39 12.528 13.813 -4.694 265 HG2 LYS 39 1HG LYS 39 14.451 15.725 -3.471 266 HG3 LYS 39 2HG LYS 39 13.746 16.105 -5.045 267 HD2 LYS 39 1HD LYS 39 11.625 16.312 -4.196 268 HD3 LYS 39 2HD LYS 39 11.938 15.207 -2.855 269 HE2 LYS 39 1HE LYS 39 13.527 17.030 -1.992 270 HE3 LYS 39 2HE LYS 39 12.712 18.093 -3.138 271 HZ1 LYS 39 3HZ LYS 39 11.801 18.082 -0.815 272 HZ2 LYS 39 1HZ LYS 39 11.250 16.509 -1.105 273 HZ3 LYS 39 2HZ LYS 39 10.666 17.794 -2.036 274 HA PRO 40 HA PRO 40 18.076 12.104 -2.942 275 HB2 PRO 40 1HB PRO 40 18.803 10.833 -5.228 276 HB3 PRO 40 2HB PRO 40 18.026 10.004 -3.873 277 HG2 PRO 40 1HG PRO 40 16.818 11.018 -6.418 278 HG3 PRO 40 2HG PRO 40 16.533 9.483 -5.578 279 HD2 PRO 40 1HD PRO 40 14.833 11.583 -5.393 280 HD3 PRO 40 2HD PRO 40 15.085 10.438 -4.059 281 H SER 41 H SER 41 20.077 12.885 -3.872 282 HA SER 41 HA SER 41 19.796 15.423 -5.099 283 HB2 SER 41 1HB SER 41 22.324 15.326 -5.221 284 HB3 SER 41 2HB SER 41 21.641 15.095 -3.612 285 HG SER 41 HG SER 41 22.055 12.818 -5.158 286 H GLY 42 H GLY 42 18.980 15.452 -7.127 287 HA2 GLY 42 1HA GLY 42 20.047 13.606 -9.130 288 HA3 GLY 42 2HA GLY 42 18.648 14.651 -9.324 289 HA PRO 43 HA PRO 43 22.778 16.517 -10.966 290 HB2 PRO 43 1HB PRO 43 22.843 15.531 -13.495 291 HB3 PRO 43 2HB PRO 43 23.651 14.742 -12.135 292 HG2 PRO 43 1HG PRO 43 21.012 14.107 -13.398 293 HG3 PRO 43 2HG PRO 43 22.292 13.001 -12.865 294 HD2 PRO 43 1HD PRO 43 20.067 13.472 -11.395 295 HD3 PRO 43 2HD PRO 43 21.641 13.113 -10.656 296 H SER 44 H SER 44 22.539 18.501 -11.797 297 HA SER 44 HA SER 44 20.015 19.409 -12.720 298 HB2 SER 44 1HB SER 44 21.996 20.696 -11.551 299 HB3 SER 44 2HB SER 44 22.517 20.980 -13.212 300 HG SER 44 HG SER 44 19.904 21.550 -12.272 301 H SER 45 H SER 45 19.842 20.723 -14.797 302 HA SER 45 HA SER 45 19.783 19.192 -17.004 303 HB2 SER 45 1HB SER 45 18.826 21.390 -17.072 304 HB3 SER 45 2HB SER 45 20.403 22.147 -16.850 305 HG SER 45 HG SER 45 20.991 21.255 -18.903 306 H GLY 46 H GLY 46 22.551 21.271 -16.148 307 HA2 GLY 46 1HA GLY 46 24.280 20.883 -18.174 308 HA3 GLY 46 2HA GLY 46 24.809 20.881 -16.498 Start of MODEL 3 1 H1 GLY 1 H GLY 1 11.794 -26.138 1.042 2 HA2 GLY 1 1HA GLY 1 10.969 -24.296 -0.915 3 HA3 GLY 1 2HA GLY 1 10.602 -26.015 -0.915 4 H SER 2 H SER 2 9.453 -22.835 -0.174 5 HA SER 2 HA SER 2 6.917 -23.886 0.839 6 HB2 SER 2 1HB SER 2 6.413 -21.454 1.276 7 HB3 SER 2 2HB SER 2 7.806 -22.084 2.156 8 HG SER 2 HG SER 2 7.830 -20.501 -0.198 9 H SER 3 H SER 3 6.206 -24.758 -1.174 10 HA SER 3 HA SER 3 5.628 -22.831 -3.299 11 HB2 SER 3 1HB SER 3 5.037 -24.833 -4.642 12 HB3 SER 3 2HB SER 3 6.679 -24.915 -4.003 13 HG SER 3 HG SER 3 5.503 -26.880 -3.730 14 H GLY 4 H GLY 4 3.483 -22.909 -4.339 15 HA2 GLY 4 1HA GLY 4 1.202 -24.084 -3.353 16 HA3 GLY 4 2HA GLY 4 1.422 -22.641 -2.375 17 H SER 5 H SER 5 -0.697 -23.340 -4.298 18 HA SER 5 HA SER 5 -0.294 -21.599 -6.566 19 HB2 SER 5 1HB SER 5 -2.644 -23.221 -5.587 20 HB3 SER 5 2HB SER 5 -2.755 -22.146 -6.981 21 HG SER 5 HG SER 5 -0.814 -24.198 -6.741 22 H SER 6 H SER 6 -2.480 -21.626 -3.752 23 HA SER 6 HA SER 6 -2.433 -18.709 -3.733 24 HB2 SER 6 1HB SER 6 -4.929 -18.635 -3.493 25 HB3 SER 6 2HB SER 6 -4.381 -19.149 -5.088 26 HG SER 6 HG SER 6 -6.113 -20.411 -3.913 27 H GLY 7 H GLY 7 -2.952 -17.783 -1.723 28 HA2 GLY 7 1HA GLY 7 -2.676 -19.660 0.510 29 HA3 GLY 7 2HA GLY 7 -2.390 -17.928 0.575 30 H THR 8 H THR 8 -3.815 -16.903 1.791 31 HA THR 8 HA THR 8 -6.487 -18.050 2.138 32 HB THR 8 HB THR 8 -5.161 -15.826 3.700 33 HG1 THR 8 HG1 THR 8 -4.773 -17.427 5.242 34 HG21 THR 8 3HG2 THR 8 -7.864 -16.762 3.591 35 HG22 THR 8 1HG2 THR 8 -7.177 -15.476 4.582 36 HG23 THR 8 2HG2 THR 8 -7.182 -17.137 5.173 37 H GLY 9 H GLY 9 -5.084 -14.778 1.806 38 HA2 GLY 9 1HA GLY 9 -6.217 -13.758 -0.355 39 HA3 GLY 9 2HA GLY 9 -7.619 -13.836 0.702 40 H GLU 10 H GLU 10 -5.807 -11.632 -0.514 41 HA GLU 10 HA GLU 10 -5.398 -10.151 2.000 42 HB2 GLU 10 1HB GLU 10 -3.925 -10.023 -0.624 43 HB3 GLU 10 2HB GLU 10 -3.818 -8.735 0.568 44 HG2 GLU 10 1HG GLU 10 -1.948 -10.336 0.680 45 HG3 GLU 10 2HG GLU 10 -2.864 -10.225 2.182 46 H LYS 11 H LYS 11 -5.669 -7.771 1.798 47 HA LYS 11 HA LYS 11 -8.219 -7.171 0.694 48 HB2 LYS 11 1HB LYS 11 -6.134 -5.684 2.208 49 HB3 LYS 11 2HB LYS 11 -7.309 -4.734 1.306 50 HG2 LYS 11 1HG LYS 11 -8.289 -4.892 3.383 51 HG3 LYS 11 2HG LYS 11 -9.061 -6.215 2.506 52 HD2 LYS 11 1HD LYS 11 -6.553 -6.787 4.002 53 HD3 LYS 11 2HD LYS 11 -8.041 -6.559 4.923 54 HE2 LYS 11 1HE LYS 11 -9.015 -8.234 3.151 55 HE3 LYS 11 2HE LYS 11 -7.322 -8.686 2.959 56 HZ1 LYS 11 3HZ LYS 11 -7.547 -9.955 4.743 57 HZ2 LYS 11 1HZ LYS 11 -9.122 -9.399 5.015 58 HZ3 LYS 11 2HZ LYS 11 -7.806 -8.573 5.683 59 HA PRO 12 HA PRO 12 -7.273 -5.654 -3.313 60 HB2 PRO 12 1HB PRO 12 -8.981 -3.556 -3.544 61 HB3 PRO 12 2HB PRO 12 -9.518 -5.240 -3.575 62 HG2 PRO 12 1HG PRO 12 -9.555 -3.282 -1.311 63 HG3 PRO 12 2HG PRO 12 -10.803 -4.438 -1.812 64 HD2 PRO 12 1HD PRO 12 -9.130 -4.910 0.264 65 HD3 PRO 12 2HD PRO 12 -9.760 -6.209 -0.769 66 H TYR 13 H TYR 13 -6.459 -3.944 -0.577 67 HA TYR 13 HA TYR 13 -5.103 -1.857 -2.157 68 HB2 TYR 13 1HB TYR 13 -5.984 -1.662 0.730 69 HB3 TYR 13 2HB TYR 13 -5.236 -0.387 -0.225 70 HD1 TYR 13 HD2 TYR 13 -8.313 -2.290 0.368 71 HD2 TYR 13 HD1 TYR 13 -6.510 0.844 -1.875 72 HE1 TYR 13 HE2 TYR 13 -10.540 -1.529 -0.347 73 HE2 TYR 13 HE1 TYR 13 -8.732 1.615 -2.596 74 HH TYR 13 HH TYR 13 -11.623 0.472 -1.175 75 H LYS 14 H LYS 14 -3.057 -2.493 -2.392 76 HA LYS 14 HA LYS 14 -1.551 -3.201 0.025 77 HB2 LYS 14 1HB LYS 14 -1.826 -5.332 -0.903 78 HB3 LYS 14 2HB LYS 14 -1.688 -4.735 -2.552 79 HG2 LYS 14 1HG LYS 14 0.613 -4.633 -2.467 80 HG3 LYS 14 2HG LYS 14 0.648 -4.539 -0.705 81 HD2 LYS 14 1HD LYS 14 -0.320 -6.916 -0.757 82 HD3 LYS 14 2HD LYS 14 0.173 -6.934 -2.452 83 HE2 LYS 14 1HE LYS 14 2.013 -6.346 -0.136 84 HE3 LYS 14 2HE LYS 14 1.850 -7.923 -0.907 85 HZ1 LYS 14 3HZ LYS 14 2.603 -6.960 -2.981 86 HZ2 LYS 14 1HZ LYS 14 3.747 -6.684 -1.765 87 HZ3 LYS 14 2HZ LYS 14 2.726 -5.432 -2.267 88 H CYS 15 H CYS 15 0.030 -1.780 0.275 89 HA CYS 15 HA CYS 15 0.795 0.168 -1.520 90 HB2 CYS 15 1HB CYS 15 1.332 0.206 0.891 91 HB3 CYS 15 2HB CYS 15 2.515 -1.073 0.638 92 H ASN 16 H ASN 16 2.149 0.302 -3.211 93 HA ASN 16 HA ASN 16 3.457 -2.165 -4.085 94 HB2 ASN 16 1HB ASN 16 2.615 0.355 -5.493 95 HB3 ASN 16 2HB ASN 16 3.769 -0.750 -6.235 96 HD21 ASN 16 1HD2 ASN 16 1.055 0.000 -7.038 97 HD22 ASN 16 2HD2 ASN 16 0.172 -1.481 -7.149 98 H GLU 17 H GLU 17 4.458 -0.230 -1.986 99 HA GLU 17 HA GLU 17 7.065 0.360 -3.227 100 HB2 GLU 17 1HB GLU 17 5.682 1.770 -0.939 101 HB3 GLU 17 2HB GLU 17 7.327 2.102 -1.464 102 HG2 GLU 17 1HG GLU 17 5.135 2.263 -3.465 103 HG3 GLU 17 2HG GLU 17 5.306 3.560 -2.283 104 H CYS 18 H CYS 18 5.426 -0.750 -0.297 105 HA CYS 18 HA CYS 18 7.959 -1.987 0.565 106 HB2 CYS 18 1HB CYS 18 7.021 -1.905 2.873 107 HB3 CYS 18 2HB CYS 18 7.268 -0.313 2.164 108 H GLY 19 H GLY 19 4.490 -2.412 0.162 109 HA2 GLY 19 1HA GLY 19 3.675 -4.545 -0.638 110 HA3 GLY 19 2HA GLY 19 4.922 -5.325 0.325 111 H LYS 20 H LYS 20 3.054 -2.684 1.609 112 HA LYS 20 HA LYS 20 2.080 -4.378 3.733 113 HB2 LYS 20 1HB LYS 20 2.153 -1.458 3.177 114 HB3 LYS 20 2HB LYS 20 0.893 -2.037 4.259 115 HG2 LYS 20 1HG LYS 20 2.524 -2.968 5.752 116 HG3 LYS 20 2HG LYS 20 3.830 -2.590 4.627 117 HD2 LYS 20 1HD LYS 20 3.321 -0.192 4.880 118 HD3 LYS 20 2HD LYS 20 2.062 -0.598 6.049 119 HE2 LYS 20 1HE LYS 20 5.004 -1.208 6.333 120 HE3 LYS 20 2HE LYS 20 4.137 0.091 7.152 121 HZ1 LYS 20 3HZ LYS 20 2.825 -2.371 7.591 122 HZ2 LYS 20 1HZ LYS 20 3.510 -1.317 8.723 123 HZ3 LYS 20 2HZ LYS 20 4.457 -2.523 8.009 124 H VAL 21 H VAL 21 -0.337 -3.617 4.423 125 HA VAL 21 HA VAL 21 -2.106 -3.675 2.103 126 HB VAL 21 HB VAL 21 -2.198 -5.789 4.261 127 HG11 VAL 21 1HG1 VAL 21 -4.430 -5.448 3.807 128 HG12 VAL 21 2HG1 VAL 21 -4.129 -4.979 2.133 129 HG13 VAL 21 3HG1 VAL 21 -4.017 -6.673 2.609 130 HG21 VAL 21 3HG2 VAL 21 -1.635 -5.997 1.304 131 HG22 VAL 21 1HG2 VAL 21 -0.467 -6.214 2.607 132 HG23 VAL 21 2HG2 VAL 21 -1.796 -7.357 2.414 133 H PHE 22 H PHE 22 -4.093 -2.770 2.467 134 HA PHE 22 HA PHE 22 -4.804 -2.034 5.211 135 HB2 PHE 22 1HB PHE 22 -5.001 -0.015 2.985 136 HB3 PHE 22 2HB PHE 22 -5.115 0.256 4.721 137 HD1 PHE 22 HD2 PHE 22 -2.776 -0.646 1.999 138 HD2 PHE 22 HD1 PHE 22 -3.214 0.763 5.992 139 HE1 PHE 22 HE2 PHE 22 -0.379 -0.097 2.065 140 HE2 PHE 22 HE1 PHE 22 -0.817 1.315 6.063 141 HZ PHE 22 HZ PHE 22 0.604 0.884 4.099 142 H THR 23 H THR 23 -7.046 -1.440 5.474 143 HA THR 23 HA THR 23 -8.760 -2.974 3.710 144 HB THR 23 HB THR 23 -9.415 -1.466 6.249 145 HG1 THR 23 HG1 THR 23 -8.110 -3.254 6.669 146 HG21 THR 23 3HG2 THR 23 -11.442 -1.624 5.066 147 HG22 THR 23 1HG2 THR 23 -11.459 -3.004 6.163 148 HG23 THR 23 2HG2 THR 23 -11.062 -3.236 4.460 149 H GLN 24 H GLN 24 -8.157 0.378 4.536 150 HA GLN 24 HA GLN 24 -10.197 1.188 2.572 151 HB2 GLN 24 1HB GLN 24 -10.429 1.931 5.019 152 HB3 GLN 24 2HB GLN 24 -9.057 2.984 4.702 153 HG2 GLN 24 1HG GLN 24 -11.067 4.246 4.454 154 HG3 GLN 24 2HG GLN 24 -10.338 4.028 2.864 155 HE21 GLN 24 1HE2 GLN 24 -11.750 3.615 1.339 156 HE22 GLN 24 2HE2 GLN 24 -13.230 2.743 1.521 157 H ASN 25 H ASN 25 -9.699 3.021 1.221 158 HA ASN 25 HA ASN 25 -7.110 2.871 0.088 159 HB2 ASN 25 1HB ASN 25 -8.995 3.438 -1.307 160 HB3 ASN 25 2HB ASN 25 -9.355 4.855 -0.324 161 HD21 ASN 25 1HD2 ASN 25 -6.642 3.449 -2.131 162 HD22 ASN 25 2HD2 ASN 25 -6.116 4.939 -2.830 163 H SER 26 H SER 26 -8.726 5.405 1.991 164 HA SER 26 HA SER 26 -6.805 7.347 2.023 165 HB2 SER 26 1HB SER 26 -8.576 6.435 4.300 166 HB3 SER 26 2HB SER 26 -7.645 7.932 4.316 167 HG SER 26 HG SER 26 -9.860 8.156 3.601 168 H HIS 27 H HIS 27 -6.986 4.539 4.196 169 HA HIS 27 HA HIS 27 -4.745 5.086 5.751 170 HB2 HIS 27 1HB HIS 27 -5.654 2.330 4.907 171 HB3 HIS 27 2HB HIS 27 -4.759 2.756 6.363 172 HD1 HIS 27 HD1 HIS 27 -7.407 1.239 6.584 173 HD2 HIS 27 HD2 HIS 27 -7.090 5.378 6.750 174 HE1 HIS 27 HE1 HIS 27 -9.457 2.021 7.813 175 H LEU 28 H LEU 28 -4.997 3.436 2.637 176 HA LEU 28 HA LEU 28 -2.225 2.743 2.520 177 HB2 LEU 28 1HB LEU 28 -3.605 1.358 1.260 178 HB3 LEU 28 2HB LEU 28 -4.498 2.714 0.574 179 HG LEU 28 HG LEU 28 -2.515 3.278 -0.794 180 HD11 LEU 28 1HD1 LEU 28 -0.530 2.278 -0.584 181 HD12 LEU 28 2HD1 LEU 28 -1.248 0.675 -0.430 182 HD13 LEU 28 3HD1 LEU 28 -1.129 1.726 0.981 183 HD21 LEU 28 3HD2 LEU 28 -3.163 1.881 -2.446 184 HD22 LEU 28 1HD2 LEU 28 -4.423 1.450 -1.289 185 HD23 LEU 28 2HD2 LEU 28 -2.986 0.439 -1.445 186 H ALA 29 H ALA 29 -4.082 4.880 0.351 187 HA ALA 29 HA ALA 29 -2.101 6.174 -0.937 188 HB1 ALA 29 3HB ALA 29 -3.679 7.622 -1.611 189 HB2 ALA 29 1HB ALA 29 -4.775 6.573 -0.710 190 HB3 ALA 29 2HB ALA 29 -4.145 8.041 0.038 191 H ARG 30 H ARG 30 -3.357 7.147 2.251 192 HA ARG 30 HA ARG 30 -1.573 9.293 2.630 193 HB2 ARG 30 1HB ARG 30 -2.500 9.505 4.719 194 HB3 ARG 30 2HB ARG 30 -3.753 8.560 3.925 195 HG2 ARG 30 1HG ARG 30 -2.782 6.512 4.891 196 HG3 ARG 30 2HG ARG 30 -1.598 7.505 5.742 197 HD2 ARG 30 1HD ARG 30 -4.546 7.973 6.043 198 HD3 ARG 30 2HD ARG 30 -3.703 6.767 7.014 199 HE ARG 30 HE ARG 30 -2.206 8.966 7.401 200 HH11 ARG 30 1HH1 ARG 30 -5.635 8.397 7.600 201 HH12 ARG 30 2HH1 ARG 30 -5.895 9.597 8.822 202 HH21 ARG 30 1HH2 ARG 30 -2.536 10.549 9.010 203 HH22 ARG 30 2HH2 ARG 30 -4.132 10.821 9.623 204 H HIS 31 H HIS 31 -1.333 5.859 3.321 205 HA HIS 31 HA HIS 31 0.977 5.971 4.946 206 HB2 HIS 31 1HB HIS 31 -0.072 3.931 5.135 207 HB3 HIS 31 2HB HIS 31 -0.449 3.844 3.417 208 HD1 HIS 31 HD1 HIS 31 2.448 3.352 5.795 209 HD2 HIS 31 HD2 HIS 31 1.322 2.391 1.913 210 HE1 HIS 31 HE1 HIS 31 4.199 1.749 4.964 211 H ARG 32 H ARG 32 0.552 5.391 1.465 212 HA ARG 32 HA ARG 32 3.133 4.880 0.706 213 HB2 ARG 32 1HB ARG 32 1.080 6.559 -0.744 214 HB3 ARG 32 2HB ARG 32 2.547 5.924 -1.477 215 HG2 ARG 32 1HG ARG 32 1.688 3.623 -0.769 216 HG3 ARG 32 2HG ARG 32 0.139 4.429 -0.508 217 HD2 ARG 32 1HD ARG 32 0.028 3.591 -2.699 218 HD3 ARG 32 2HD ARG 32 0.378 5.309 -2.883 219 HE ARG 32 HE ARG 32 2.811 3.958 -2.841 220 HH11 ARG 32 1HH1 ARG 32 -0.034 4.156 -4.837 221 HH12 ARG 32 2HH1 ARG 32 0.810 3.785 -6.304 222 HH21 ARG 32 1HH2 ARG 32 3.934 3.469 -4.765 223 HH22 ARG 32 2HH2 ARG 32 3.067 3.394 -6.262 224 H GLY 33 H GLY 33 1.881 7.791 2.011 225 HA2 GLY 33 1HA GLY 33 3.598 9.706 0.912 226 HA3 GLY 33 2HA GLY 33 2.855 9.809 2.502 227 H ILE 34 H ILE 34 4.079 7.514 3.641 228 HA ILE 34 HA ILE 34 6.390 8.589 4.719 229 HB ILE 34 HB ILE 34 6.843 6.467 5.691 230 HG12 ILE 34 1HG1 ILE 34 4.970 5.226 3.666 231 HG13 ILE 34 2HG1 ILE 34 6.726 5.180 3.553 232 HG21 ILE 34 1HG2 ILE 34 4.894 6.140 6.858 233 HG22 ILE 34 2HG2 ILE 34 4.588 7.722 6.142 234 HG23 ILE 34 3HG2 ILE 34 3.882 6.276 5.421 235 HD11 ILE 34 3HD1 ILE 34 6.431 3.187 4.549 236 HD12 ILE 34 1HD1 ILE 34 6.413 4.172 6.011 237 HD13 ILE 34 2HD1 ILE 34 4.895 3.653 5.279 238 H HIS 35 H HIS 35 5.948 6.824 1.760 239 HA HIS 35 HA HIS 35 8.791 6.364 1.397 240 HB2 HIS 35 1HB HIS 35 6.513 5.888 -0.535 241 HB3 HIS 35 2HB HIS 35 8.159 5.280 -0.688 242 HD1 HIS 35 HD1 HIS 35 8.807 3.848 1.729 243 HD2 HIS 35 HD2 HIS 35 4.897 3.917 0.325 244 HE1 HIS 35 HE1 HIS 35 7.682 1.855 2.773 245 H THR 36 H THR 36 6.231 8.351 -0.037 246 HA THR 36 HA THR 36 8.262 10.245 -0.936 247 HB THR 36 HB THR 36 7.280 10.448 -3.174 248 HG1 THR 36 HG1 THR 36 5.514 9.383 -3.714 249 HG21 THR 36 3HG2 THR 36 7.988 7.565 -2.646 250 HG22 THR 36 1HG2 THR 36 9.178 8.864 -2.705 251 HG23 THR 36 2HG2 THR 36 8.224 8.476 -4.137 252 H GLY 37 H GLY 37 7.632 12.327 -0.747 253 HA2 GLY 37 1HA GLY 37 4.766 12.834 -0.244 254 HA3 GLY 37 2HA GLY 37 6.020 13.555 0.754 255 H GLU 38 H GLU 38 3.876 14.601 -1.172 256 HA GLU 38 HA GLU 38 4.819 15.717 -3.455 257 HB2 GLU 38 1HB GLU 38 2.935 16.723 -1.368 258 HB3 GLU 38 2HB GLU 38 3.409 17.808 -2.667 259 HG2 GLU 38 1HG GLU 38 1.556 16.903 -3.602 260 HG3 GLU 38 2HG GLU 38 2.752 15.736 -4.162 261 H LYS 39 H LYS 39 6.653 16.734 -3.883 262 HA LYS 39 HA LYS 39 8.507 17.742 -2.175 263 HB2 LYS 39 1HB LYS 39 7.787 18.693 -4.946 264 HB3 LYS 39 2HB LYS 39 9.207 19.265 -4.079 265 HG2 LYS 39 1HG LYS 39 8.746 16.339 -4.507 266 HG3 LYS 39 2HG LYS 39 9.473 17.343 -5.764 267 HD2 LYS 39 1HD LYS 39 11.043 18.121 -3.823 268 HD3 LYS 39 2HD LYS 39 10.529 16.610 -3.066 269 HE2 LYS 39 1HE LYS 39 11.140 15.595 -5.404 270 HE3 LYS 39 2HE LYS 39 12.123 17.051 -5.551 271 HZ1 LYS 39 3HZ LYS 39 12.551 15.919 -3.018 272 HZ2 LYS 39 1HZ LYS 39 13.657 16.115 -4.284 273 HZ3 LYS 39 2HZ LYS 39 12.733 14.702 -4.180 274 HA PRO 40 HA PRO 40 7.014 21.439 -0.337 275 HB2 PRO 40 1HB PRO 40 9.310 22.867 -0.096 276 HB3 PRO 40 2HB PRO 40 8.945 21.458 0.907 277 HG2 PRO 40 1HG PRO 40 10.670 21.651 -1.532 278 HG3 PRO 40 2HG PRO 40 10.972 20.786 -0.014 279 HD2 PRO 40 1HD PRO 40 10.098 19.538 -2.253 280 HD3 PRO 40 2HD PRO 40 9.648 19.000 -0.622 281 H SER 41 H SER 41 8.212 21.366 -3.474 282 HA SER 41 HA SER 41 8.229 24.170 -4.034 283 HB2 SER 41 1HB SER 41 9.367 22.198 -5.328 284 HB3 SER 41 2HB SER 41 7.812 22.087 -6.154 285 HG SER 41 HG SER 41 8.952 24.616 -5.923 286 H GLY 42 H GLY 42 6.469 25.396 -4.029 287 HA2 GLY 42 1HA GLY 42 4.235 24.890 -5.670 288 HA3 GLY 42 2HA GLY 42 3.833 24.453 -4.016 289 HA PRO 43 HA PRO 43 2.781 28.909 -4.501 290 HB2 PRO 43 1HB PRO 43 0.500 28.752 -3.036 291 HB3 PRO 43 2HB PRO 43 0.560 28.380 -4.763 292 HG2 PRO 43 1HG PRO 43 0.593 26.515 -2.421 293 HG3 PRO 43 2HG PRO 43 -0.301 26.380 -3.947 294 HD2 PRO 43 1HD PRO 43 1.993 25.019 -3.477 295 HD3 PRO 43 2HD PRO 43 1.532 25.583 -5.096 296 H SER 44 H SER 44 2.753 30.574 -2.922 297 HA SER 44 HA SER 44 4.140 29.844 -0.474 298 HB2 SER 44 1HB SER 44 3.423 32.612 -1.461 299 HB3 SER 44 2HB SER 44 4.617 32.194 -0.233 300 HG SER 44 HG SER 44 4.885 31.079 -2.783 301 H SER 45 H SER 45 1.536 28.934 -0.468 302 HA SER 45 HA SER 45 -0.534 30.381 0.453 303 HB2 SER 45 1HB SER 45 -0.850 28.043 0.302 304 HB3 SER 45 2HB SER 45 0.478 27.708 1.413 305 HG SER 45 HG SER 45 -0.794 28.093 3.073 306 H GLY 46 H GLY 46 2.076 29.167 2.561 307 HA2 GLY 46 1HA GLY 46 2.088 31.547 4.135 308 HA3 GLY 46 2HA GLY 46 1.246 30.245 4.962 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.527 -32.620 -2.595 2 HA2 GLY 1 1HA GLY 1 1.225 -30.176 -4.190 3 HA3 GLY 1 2HA GLY 1 0.089 -31.489 -4.460 4 H SER 2 H SER 2 1.462 -29.622 -1.751 5 HA SER 2 HA SER 2 -1.135 -29.806 -0.398 6 HB2 SER 2 1HB SER 2 1.191 -30.390 0.687 7 HB3 SER 2 2HB SER 2 1.302 -28.643 0.900 8 HG SER 2 HG SER 2 -0.552 -28.692 2.131 9 H SER 3 H SER 3 -1.892 -27.863 0.766 10 HA SER 3 HA SER 3 -2.278 -25.705 -0.933 11 HB2 SER 3 1HB SER 3 -3.478 -26.430 1.307 12 HB3 SER 3 2HB SER 3 -2.372 -25.258 2.023 13 HG SER 3 HG SER 3 -4.606 -24.630 1.074 14 H GLY 4 H GLY 4 -1.337 -23.721 -1.201 15 HA2 GLY 4 1HA GLY 4 1.417 -23.463 -0.785 16 HA3 GLY 4 2HA GLY 4 0.332 -22.147 -1.210 17 H SER 5 H SER 5 0.151 -20.549 0.209 18 HA SER 5 HA SER 5 0.802 -21.109 3.028 19 HB2 SER 5 1HB SER 5 1.467 -18.594 1.478 20 HB3 SER 5 2HB SER 5 1.823 -18.883 3.181 21 HG SER 5 HG SER 5 2.751 -20.702 1.258 22 H SER 6 H SER 6 0.044 -19.127 4.420 23 HA SER 6 HA SER 6 -2.625 -19.133 4.728 24 HB2 SER 6 1HB SER 6 -1.342 -17.993 6.363 25 HB3 SER 6 2HB SER 6 -0.692 -16.861 5.178 26 HG SER 6 HG SER 6 -2.716 -16.429 6.698 27 H GLY 7 H GLY 7 -4.428 -18.095 3.951 28 HA2 GLY 7 1HA GLY 7 -4.118 -16.102 1.838 29 HA3 GLY 7 2HA GLY 7 -4.905 -17.610 1.395 30 H THR 8 H THR 8 -5.082 -15.045 3.857 31 HA THR 8 HA THR 8 -7.876 -15.575 4.344 32 HB THR 8 HB THR 8 -6.406 -14.812 6.172 33 HG1 THR 8 HG1 THR 8 -7.877 -12.849 6.648 34 HG21 THR 8 3HG2 THR 8 -5.501 -12.625 6.268 35 HG22 THR 8 1HG2 THR 8 -6.400 -12.110 4.842 36 HG23 THR 8 2HG2 THR 8 -5.070 -13.256 4.679 37 H GLY 9 H GLY 9 -7.541 -15.029 1.668 38 HA2 GLY 9 1HA GLY 9 -8.411 -13.744 -0.023 39 HA3 GLY 9 2HA GLY 9 -9.462 -13.048 1.202 40 H GLU 10 H GLU 10 -6.276 -12.789 -0.299 41 HA GLU 10 HA GLU 10 -5.180 -10.611 0.858 42 HB2 GLU 10 1HB GLU 10 -4.135 -10.066 -1.265 43 HB3 GLU 10 2HB GLU 10 -4.193 -11.811 -1.057 44 HG2 GLU 10 1HG GLU 10 -6.200 -10.260 -2.669 45 HG3 GLU 10 2HG GLU 10 -4.746 -10.990 -3.349 46 H LYS 11 H LYS 11 -5.499 -8.451 0.975 47 HA LYS 11 HA LYS 11 -8.090 -7.441 0.238 48 HB2 LYS 11 1HB LYS 11 -5.709 -6.165 1.587 49 HB3 LYS 11 2HB LYS 11 -7.215 -5.312 1.275 50 HG2 LYS 11 1HG LYS 11 -7.051 -7.846 2.886 51 HG3 LYS 11 2HG LYS 11 -6.957 -6.229 3.589 52 HD2 LYS 11 1HD LYS 11 -9.244 -7.045 1.823 53 HD3 LYS 11 2HD LYS 11 -9.243 -7.396 3.553 54 HE2 LYS 11 1HE LYS 11 -9.281 -5.138 4.132 55 HE3 LYS 11 2HE LYS 11 -8.708 -4.625 2.546 56 HZ1 LYS 11 3HZ LYS 11 -10.977 -5.748 1.836 57 HZ2 LYS 11 1HZ LYS 11 -10.890 -4.129 2.321 58 HZ3 LYS 11 2HZ LYS 11 -11.407 -5.313 3.413 59 HA PRO 12 HA PRO 12 -7.073 -5.599 -3.621 60 HB2 PRO 12 1HB PRO 12 -8.839 -3.537 -3.644 61 HB3 PRO 12 2HB PRO 12 -9.325 -5.220 -3.878 62 HG2 PRO 12 1HG PRO 12 -9.457 -3.537 -1.406 63 HG3 PRO 12 2HG PRO 12 -10.662 -4.661 -2.059 64 HD2 PRO 12 1HD PRO 12 -9.009 -5.321 -0.019 65 HD3 PRO 12 2HD PRO 12 -9.584 -6.511 -1.205 66 H TYR 13 H TYR 13 -6.662 -3.965 -0.650 67 HA TYR 13 HA TYR 13 -5.251 -1.745 -1.968 68 HB2 TYR 13 1HB TYR 13 -6.137 -1.913 0.917 69 HB3 TYR 13 2HB TYR 13 -5.506 -0.497 0.083 70 HD1 TYR 13 HD2 TYR 13 -8.410 -2.724 0.448 71 HD2 TYR 13 HD1 TYR 13 -6.908 0.825 -1.356 72 HE1 TYR 13 HE2 TYR 13 -10.700 -2.075 -0.169 73 HE2 TYR 13 HE1 TYR 13 -9.194 1.484 -1.977 74 HH TYR 13 HH TYR 13 -11.649 0.844 -0.904 75 H LYS 14 H LYS 14 -3.231 -2.517 -2.324 76 HA LYS 14 HA LYS 14 -1.661 -3.209 0.057 77 HB2 LYS 14 1HB LYS 14 -1.948 -5.349 -0.825 78 HB3 LYS 14 2HB LYS 14 -1.902 -4.777 -2.488 79 HG2 LYS 14 1HG LYS 14 0.470 -4.419 -2.354 80 HG3 LYS 14 2HG LYS 14 0.470 -4.815 -0.634 81 HD2 LYS 14 1HD LYS 14 -0.631 -7.054 -1.537 82 HD3 LYS 14 2HD LYS 14 0.242 -6.598 -3.001 83 HE2 LYS 14 1HE LYS 14 1.732 -7.964 -1.810 84 HE3 LYS 14 2HE LYS 14 2.281 -6.318 -1.499 85 HZ1 LYS 14 3HZ LYS 14 1.696 -6.433 0.666 86 HZ2 LYS 14 1HZ LYS 14 1.928 -8.091 0.421 87 HZ3 LYS 14 2HZ LYS 14 0.367 -7.441 0.388 88 H CYS 15 H CYS 15 0.119 -2.017 0.224 89 HA CYS 15 HA CYS 15 0.801 -0.072 -1.715 90 HB2 CYS 15 1HB CYS 15 1.226 0.256 0.678 91 HB3 CYS 15 2HB CYS 15 2.388 -1.067 0.662 92 H ASN 16 H ASN 16 2.499 0.050 -3.151 93 HA ASN 16 HA ASN 16 3.680 -2.523 -3.894 94 HB2 ASN 16 1HB ASN 16 2.423 -0.921 -5.521 95 HB3 ASN 16 2HB ASN 16 3.932 -0.013 -5.523 96 HD21 ASN 16 1HD2 ASN 16 2.706 -1.342 -7.736 97 HD22 ASN 16 2HD2 ASN 16 3.815 -2.549 -8.282 98 H GLU 17 H GLU 17 4.497 0.586 -2.616 99 HA GLU 17 HA GLU 17 7.234 0.666 -3.252 100 HB2 GLU 17 1HB GLU 17 5.533 1.932 -1.140 101 HB3 GLU 17 2HB GLU 17 7.283 2.069 -1.033 102 HG2 GLU 17 1HG GLU 17 6.516 4.009 -2.129 103 HG3 GLU 17 2HG GLU 17 7.256 2.992 -3.364 104 H CYS 18 H CYS 18 5.573 -0.518 -0.336 105 HA CYS 18 HA CYS 18 8.048 -1.931 0.404 106 HB2 CYS 18 1HB CYS 18 7.077 -1.995 2.707 107 HB3 CYS 18 2HB CYS 18 7.400 -0.368 2.119 108 H GLY 19 H GLY 19 4.501 -2.258 0.424 109 HA2 GLY 19 1HA GLY 19 3.651 -4.317 -0.679 110 HA3 GLY 19 2HA GLY 19 4.890 -5.182 0.219 111 H LYS 20 H LYS 20 3.040 -2.576 1.629 112 HA LYS 20 HA LYS 20 2.117 -4.324 3.724 113 HB2 LYS 20 1HB LYS 20 2.091 -1.398 3.198 114 HB3 LYS 20 2HB LYS 20 0.859 -2.029 4.283 115 HG2 LYS 20 1HG LYS 20 2.532 -2.925 5.752 116 HG3 LYS 20 2HG LYS 20 3.815 -2.484 4.623 117 HD2 LYS 20 1HD LYS 20 3.241 -0.114 4.917 118 HD3 LYS 20 2HD LYS 20 1.982 -0.569 6.068 119 HE2 LYS 20 1HE LYS 20 4.940 -1.082 6.372 120 HE3 LYS 20 2HE LYS 20 4.013 0.159 7.214 121 HZ1 LYS 20 3HZ LYS 20 2.796 -2.362 7.580 122 HZ2 LYS 20 1HZ LYS 20 3.433 -1.312 8.744 123 HZ3 LYS 20 2HZ LYS 20 4.430 -2.463 8.007 124 H VAL 21 H VAL 21 -0.320 -3.639 4.437 125 HA VAL 21 HA VAL 21 -2.099 -3.750 2.126 126 HB VAL 21 HB VAL 21 -2.132 -5.850 4.297 127 HG11 VAL 21 1HG1 VAL 21 -4.103 -5.037 2.235 128 HG12 VAL 21 2HG1 VAL 21 -3.897 -6.764 2.535 129 HG13 VAL 21 3HG1 VAL 21 -4.358 -5.688 3.854 130 HG21 VAL 21 3HG2 VAL 21 -0.376 -6.207 2.628 131 HG22 VAL 21 1HG2 VAL 21 -1.647 -7.423 2.496 132 HG23 VAL 21 2HG2 VAL 21 -1.576 -6.093 1.341 133 H PHE 22 H PHE 22 -4.102 -2.888 2.491 134 HA PHE 22 HA PHE 22 -4.822 -2.159 5.236 135 HB2 PHE 22 1HB PHE 22 -5.100 -0.160 3.002 136 HB3 PHE 22 2HB PHE 22 -5.190 0.117 4.739 137 HD1 PHE 22 HD2 PHE 22 -2.871 -0.759 1.989 138 HD2 PHE 22 HD1 PHE 22 -3.287 0.705 5.964 139 HE1 PHE 22 HE2 PHE 22 -0.489 -0.145 2.009 140 HE2 PHE 22 HE1 PHE 22 -0.905 1.322 5.990 141 HZ PHE 22 HZ PHE 22 0.497 0.896 4.011 142 H THR 23 H THR 23 -7.110 -1.254 5.299 143 HA THR 23 HA THR 23 -8.783 -2.864 3.491 144 HB THR 23 HB THR 23 -9.056 -3.497 5.814 145 HG1 THR 23 HG1 THR 23 -11.289 -1.938 4.964 146 HG21 THR 23 3HG2 THR 23 -8.661 -0.787 6.338 147 HG22 THR 23 1HG2 THR 23 -9.031 -2.048 7.512 148 HG23 THR 23 2HG2 THR 23 -10.334 -1.097 6.799 149 H GLN 24 H GLN 24 -7.841 0.283 4.105 150 HA GLN 24 HA GLN 24 -10.252 1.330 2.776 151 HB2 GLN 24 1HB GLN 24 -8.569 2.970 4.654 152 HB3 GLN 24 2HB GLN 24 -10.195 3.300 4.070 153 HG2 GLN 24 1HG GLN 24 -9.669 0.886 5.745 154 HG3 GLN 24 2HG GLN 24 -9.836 2.472 6.497 155 HE21 GLN 24 1HE2 GLN 24 -11.564 0.338 6.987 156 HE22 GLN 24 2HE2 GLN 24 -13.129 0.746 6.381 157 H ASN 25 H ASN 25 -9.836 3.419 1.615 158 HA ASN 25 HA ASN 25 -7.467 3.107 -0.020 159 HB2 ASN 25 1HB ASN 25 -9.274 3.601 -1.374 160 HB3 ASN 25 2HB ASN 25 -9.988 4.702 -0.200 161 HD21 ASN 25 1HD2 ASN 25 -10.049 6.675 -0.969 162 HD22 ASN 25 2HD2 ASN 25 -8.811 7.452 -1.892 163 H SER 26 H SER 26 -8.767 5.388 2.319 164 HA SER 26 HA SER 26 -6.827 7.417 1.909 165 HB2 SER 26 1HB SER 26 -7.596 8.219 4.178 166 HB3 SER 26 2HB SER 26 -8.881 8.016 2.988 167 HG SER 26 HG SER 26 -9.751 6.842 4.504 168 H HIS 27 H HIS 27 -7.108 4.805 4.300 169 HA HIS 27 HA HIS 27 -4.802 5.387 5.767 170 HB2 HIS 27 1HB HIS 27 -6.179 2.746 5.247 171 HB3 HIS 27 2HB HIS 27 -4.877 2.958 6.415 172 HD1 HIS 27 HD1 HIS 27 -6.688 2.161 8.200 173 HD2 HIS 27 HD2 HIS 27 -7.404 5.847 6.421 174 HE1 HIS 27 HE1 HIS 27 -8.399 3.290 9.657 175 H LEU 28 H LEU 28 -5.244 3.593 2.779 176 HA LEU 28 HA LEU 28 -2.571 2.577 2.689 177 HB2 LEU 28 1HB LEU 28 -3.946 1.266 1.429 178 HB3 LEU 28 2HB LEU 28 -4.918 2.628 0.877 179 HG LEU 28 HG LEU 28 -3.042 3.253 -0.649 180 HD11 LEU 28 1HD1 LEU 28 -1.773 1.064 0.781 181 HD12 LEU 28 2HD1 LEU 28 -1.059 2.341 -0.203 182 HD13 LEU 28 3HD1 LEU 28 -1.682 0.881 -0.971 183 HD21 LEU 28 3HD2 LEU 28 -4.131 2.119 -2.221 184 HD22 LEU 28 1HD2 LEU 28 -5.015 1.310 -0.927 185 HD23 LEU 28 2HD2 LEU 28 -3.558 0.573 -1.594 186 H ALA 29 H ALA 29 -4.265 5.065 0.771 187 HA ALA 29 HA ALA 29 -2.095 6.004 -0.668 188 HB1 ALA 29 3HB ALA 29 -3.589 7.434 -1.488 189 HB2 ALA 29 1HB ALA 29 -4.758 6.720 -0.376 190 HB3 ALA 29 2HB ALA 29 -3.862 8.165 0.094 191 H ARG 30 H ARG 30 -3.372 7.314 2.396 192 HA ARG 30 HA ARG 30 -1.501 9.306 2.806 193 HB2 ARG 30 1HB ARG 30 -2.178 9.336 5.071 194 HB3 ARG 30 2HB ARG 30 -3.589 8.808 4.165 195 HG2 ARG 30 1HG ARG 30 -3.089 6.482 4.765 196 HG3 ARG 30 2HG ARG 30 -1.703 7.038 5.706 197 HD2 ARG 30 1HD ARG 30 -4.577 7.814 6.191 198 HD3 ARG 30 2HD ARG 30 -3.675 6.611 7.111 199 HE ARG 30 HE ARG 30 -2.312 9.091 7.119 200 HH11 ARG 30 1HH1 ARG 30 -5.073 7.474 8.490 201 HH12 ARG 30 2HH1 ARG 30 -5.081 8.432 9.934 202 HH21 ARG 30 1HH2 ARG 30 -2.312 10.358 9.015 203 HH22 ARG 30 2HH2 ARG 30 -3.510 10.073 10.231 204 H HIS 31 H HIS 31 -1.276 5.862 3.515 205 HA HIS 31 HA HIS 31 1.092 5.917 5.021 206 HB2 HIS 31 1HB HIS 31 0.048 3.871 5.165 207 HB3 HIS 31 2HB HIS 31 -0.373 3.844 3.456 208 HD1 HIS 31 HD1 HIS 31 2.673 3.404 5.676 209 HD2 HIS 31 HD2 HIS 31 1.269 2.312 1.921 210 HE1 HIS 31 HE1 HIS 31 4.379 1.799 4.761 211 H ARG 32 H ARG 32 0.628 5.241 1.550 212 HA ARG 32 HA ARG 32 3.190 4.849 0.734 213 HB2 ARG 32 1HB ARG 32 0.982 6.385 -0.630 214 HB3 ARG 32 2HB ARG 32 2.506 6.008 -1.422 215 HG2 ARG 32 1HG ARG 32 2.068 3.613 -1.076 216 HG3 ARG 32 2HG ARG 32 0.512 4.023 -0.351 217 HD2 ARG 32 1HD ARG 32 0.161 3.415 -2.648 218 HD3 ARG 32 2HD ARG 32 -0.121 5.147 -2.468 219 HE ARG 32 HE ARG 32 2.559 4.629 -3.240 220 HH11 ARG 32 1HH1 ARG 32 -0.697 4.729 -4.466 221 HH12 ARG 32 2HH1 ARG 32 -0.213 5.095 -6.089 222 HH21 ARG 32 1HH2 ARG 32 3.209 5.110 -5.373 223 HH22 ARG 32 2HH2 ARG 32 2.009 5.310 -6.604 224 H GLY 33 H GLY 33 1.856 7.764 1.993 225 HA2 GLY 33 1HA GLY 33 3.499 9.713 0.885 226 HA3 GLY 33 2HA GLY 33 2.814 9.787 2.502 227 H ILE 34 H ILE 34 4.151 7.505 3.562 228 HA ILE 34 HA ILE 34 6.481 8.657 4.544 229 HB ILE 34 HB ILE 34 7.008 6.562 5.535 230 HG12 ILE 34 1HG1 ILE 34 5.091 5.271 3.582 231 HG13 ILE 34 2HG1 ILE 34 6.846 5.214 3.456 232 HG21 ILE 34 1HG2 ILE 34 5.267 6.941 6.863 233 HG22 ILE 34 2HG2 ILE 34 4.306 7.563 5.521 234 HG23 ILE 34 3HG2 ILE 34 4.337 5.831 5.856 235 HD11 ILE 34 3HD1 ILE 34 6.330 3.187 4.420 236 HD12 ILE 34 1HD1 ILE 34 6.740 4.179 5.819 237 HD13 ILE 34 2HD1 ILE 34 5.049 3.870 5.422 238 H HIS 35 H HIS 35 5.963 6.676 1.706 239 HA HIS 35 HA HIS 35 8.773 6.271 1.210 240 HB2 HIS 35 1HB HIS 35 6.403 5.805 -0.612 241 HB3 HIS 35 2HB HIS 35 8.041 5.214 -0.873 242 HD1 HIS 35 HD1 HIS 35 8.856 3.757 1.472 243 HD2 HIS 35 HD2 HIS 35 4.859 3.819 0.339 244 HE1 HIS 35 HE1 HIS 35 7.815 1.747 2.567 245 H THR 36 H THR 36 6.183 8.244 -0.205 246 HA THR 36 HA THR 36 8.258 9.854 -1.547 247 HB THR 36 HB THR 36 6.430 10.560 -3.122 248 HG1 THR 36 HG1 THR 36 4.477 9.928 -2.641 249 HG21 THR 36 3HG2 THR 36 6.418 8.395 -4.385 250 HG22 THR 36 1HG2 THR 36 7.199 7.645 -2.994 251 HG23 THR 36 2HG2 THR 36 8.018 8.934 -3.877 252 H GLY 37 H GLY 37 8.612 11.627 -0.363 253 HA2 GLY 37 1HA GLY 37 6.547 13.550 0.015 254 HA3 GLY 37 2HA GLY 37 6.948 12.762 1.534 255 H GLU 38 H GLU 38 9.136 12.929 2.322 256 HA GLU 38 HA GLU 38 10.497 15.340 1.312 257 HB2 GLU 38 1HB GLU 38 10.258 14.279 4.128 258 HB3 GLU 38 2HB GLU 38 11.374 15.558 3.670 259 HG2 GLU 38 1HG GLU 38 9.673 17.071 3.250 260 HG3 GLU 38 2HG GLU 38 8.458 15.807 3.070 261 H LYS 39 H LYS 39 11.645 13.888 -0.147 262 HA LYS 39 HA LYS 39 13.471 11.962 0.995 263 HB2 LYS 39 1HB LYS 39 14.213 11.630 -1.332 264 HB3 LYS 39 2HB LYS 39 12.467 11.497 -1.171 265 HG2 LYS 39 1HG LYS 39 12.585 14.065 -1.807 266 HG3 LYS 39 2HG LYS 39 14.098 13.548 -2.555 267 HD2 LYS 39 1HD LYS 39 12.881 11.822 -3.803 268 HD3 LYS 39 2HD LYS 39 11.371 12.356 -3.062 269 HE2 LYS 39 1HE LYS 39 13.134 14.193 -4.663 270 HE3 LYS 39 2HE LYS 39 11.863 13.217 -5.399 271 HZ1 LYS 39 3HZ LYS 39 11.304 15.034 -3.135 272 HZ2 LYS 39 1HZ LYS 39 10.215 14.368 -4.246 273 HZ3 LYS 39 2HZ LYS 39 11.284 15.583 -4.735 274 HA PRO 40 HA PRO 40 16.916 14.627 1.597 275 HB2 PRO 40 1HB PRO 40 18.945 12.854 1.267 276 HB3 PRO 40 2HB PRO 40 17.906 12.869 2.697 277 HG2 PRO 40 1HG PRO 40 17.773 11.111 0.277 278 HG3 PRO 40 2HG PRO 40 17.587 10.678 1.987 279 HD2 PRO 40 1HD PRO 40 15.472 11.007 0.329 280 HD3 PRO 40 2HD PRO 40 15.397 11.394 2.060 281 H SER 41 H SER 41 16.030 13.466 -1.357 282 HA SER 41 HA SER 41 18.000 13.509 -3.151 283 HB2 SER 41 1HB SER 41 15.352 14.941 -3.266 284 HB3 SER 41 2HB SER 41 16.453 14.932 -4.644 285 HG SER 41 HG SER 41 16.397 12.599 -4.481 286 H GLY 42 H GLY 42 19.485 14.865 -4.027 287 HA2 GLY 42 1HA GLY 42 20.227 17.102 -4.593 288 HA3 GLY 42 2HA GLY 42 19.470 17.670 -3.112 289 HA PRO 43 HA PRO 43 23.565 15.340 -1.918 290 HB2 PRO 43 1HB PRO 43 25.345 15.038 -3.945 291 HB3 PRO 43 2HB PRO 43 24.137 13.814 -3.537 292 HG2 PRO 43 1HG PRO 43 24.079 15.887 -5.696 293 HG3 PRO 43 2HG PRO 43 23.605 14.180 -5.771 294 HD2 PRO 43 1HD PRO 43 21.801 16.184 -5.520 295 HD3 PRO 43 2HD PRO 43 21.551 14.578 -4.804 296 H SER 44 H SER 44 24.039 17.540 -4.690 297 HA SER 44 HA SER 44 25.411 19.408 -2.897 298 HB2 SER 44 1HB SER 44 26.513 18.259 -5.455 299 HB3 SER 44 2HB SER 44 27.061 19.815 -4.834 300 HG SER 44 HG SER 44 28.418 18.476 -3.857 301 H SER 45 H SER 45 24.302 21.236 -3.000 302 HA SER 45 HA SER 45 23.095 22.016 -5.570 303 HB2 SER 45 1HB SER 45 21.503 23.352 -4.258 304 HB3 SER 45 2HB SER 45 21.465 21.660 -3.760 305 HG SER 45 HG SER 45 22.748 22.213 -1.977 306 H GLY 46 H GLY 46 24.748 23.311 -2.702 307 HA2 GLY 46 1HA GLY 46 25.124 25.908 -3.840 308 HA3 GLY 46 2HA GLY 46 25.892 25.288 -2.386 Start of MODEL 5 1 H1 GLY 1 H GLY 1 10.830 -25.353 3.305 2 HA2 GLY 1 1HA GLY 1 8.663 -26.992 3.712 3 HA3 GLY 1 2HA GLY 1 9.785 -27.408 5.000 4 H SER 2 H SER 2 7.132 -25.686 4.440 5 HA SER 2 HA SER 2 7.921 -23.378 6.072 6 HB2 SER 2 1HB SER 2 5.371 -23.845 4.507 7 HB3 SER 2 2HB SER 2 5.806 -22.363 5.357 8 HG SER 2 HG SER 2 6.649 -23.310 2.919 9 H SER 3 H SER 3 5.278 -25.757 5.825 10 HA SER 3 HA SER 3 3.842 -26.602 7.379 11 HB2 SER 3 1HB SER 3 6.448 -26.389 8.834 12 HB3 SER 3 2HB SER 3 5.006 -26.859 9.734 13 HG SER 3 HG SER 3 4.785 -28.407 7.817 14 H GLY 4 H GLY 4 3.490 -23.887 6.914 15 HA2 GLY 4 1HA GLY 4 2.130 -23.128 9.337 16 HA3 GLY 4 2HA GLY 4 3.498 -22.092 8.958 17 H SER 5 H SER 5 0.255 -22.345 8.673 18 HA SER 5 HA SER 5 0.054 -21.141 6.024 19 HB2 SER 5 1HB SER 5 -2.402 -21.288 6.418 20 HB3 SER 5 2HB SER 5 -1.590 -22.847 6.556 21 HG SER 5 HG SER 5 -2.377 -22.954 8.488 22 H SER 6 H SER 6 0.573 -19.044 5.986 23 HA SER 6 HA SER 6 -0.640 -17.292 8.023 24 HB2 SER 6 1HB SER 6 1.926 -17.561 8.037 25 HB3 SER 6 2HB SER 6 1.899 -16.613 6.551 26 HG SER 6 HG SER 6 0.524 -15.126 7.948 27 H GLY 7 H GLY 7 0.469 -17.524 4.661 28 HA2 GLY 7 1HA GLY 7 -0.275 -15.148 3.588 29 HA3 GLY 7 2HA GLY 7 -0.506 -16.673 2.747 30 H THR 8 H THR 8 -2.031 -13.953 3.867 31 HA THR 8 HA THR 8 -4.639 -15.303 4.066 32 HB THR 8 HB THR 8 -4.077 -13.939 6.022 33 HG1 THR 8 HG1 THR 8 -6.100 -12.687 4.449 34 HG21 THR 8 3HG2 THR 8 -3.437 -11.743 5.959 35 HG22 THR 8 1HG2 THR 8 -4.294 -11.421 4.452 36 HG23 THR 8 2HG2 THR 8 -2.756 -12.283 4.425 37 H GLY 9 H GLY 9 -6.493 -14.195 3.085 38 HA2 GLY 9 1HA GLY 9 -6.228 -13.750 0.384 39 HA3 GLY 9 2HA GLY 9 -7.567 -13.142 1.346 40 H GLU 10 H GLU 10 -4.723 -12.351 -0.381 41 HA GLU 10 HA GLU 10 -3.931 -9.930 0.645 42 HB2 GLU 10 1HB GLU 10 -3.967 -11.105 -2.087 43 HB3 GLU 10 2HB GLU 10 -3.649 -9.381 -1.955 44 HG2 GLU 10 1HG GLU 10 -1.524 -10.154 -1.844 45 HG3 GLU 10 2HG GLU 10 -1.928 -10.197 -0.128 46 H LYS 11 H LYS 11 -4.319 -7.734 -0.380 47 HA LYS 11 HA LYS 11 -7.172 -7.355 -0.998 48 HB2 LYS 11 1HB LYS 11 -5.473 -5.751 0.917 49 HB3 LYS 11 2HB LYS 11 -7.047 -5.224 0.335 50 HG2 LYS 11 1HG LYS 11 -6.529 -7.752 1.887 51 HG3 LYS 11 2HG LYS 11 -7.159 -6.247 2.560 52 HD2 LYS 11 1HD LYS 11 -9.068 -6.417 0.961 53 HD3 LYS 11 2HD LYS 11 -8.463 -8.005 0.484 54 HE2 LYS 11 1HE LYS 11 -8.986 -8.960 2.521 55 HE3 LYS 11 2HE LYS 11 -8.953 -7.416 3.371 56 HZ1 LYS 11 3HZ LYS 11 -11.181 -8.725 2.496 57 HZ2 LYS 11 1HZ LYS 11 -10.973 -7.496 1.352 58 HZ3 LYS 11 2HZ LYS 11 -11.107 -7.110 2.993 59 HA PRO 12 HA PRO 12 -5.848 -4.899 -4.390 60 HB2 PRO 12 1HB PRO 12 -7.911 -3.145 -4.585 61 HB3 PRO 12 2HB PRO 12 -8.049 -4.845 -5.048 62 HG2 PRO 12 1HG PRO 12 -8.908 -3.496 -2.517 63 HG3 PRO 12 2HG PRO 12 -9.765 -4.710 -3.484 64 HD2 PRO 12 1HD PRO 12 -8.413 -5.337 -1.223 65 HD3 PRO 12 2HD PRO 12 -8.553 -6.457 -2.593 66 H TYR 13 H TYR 13 -5.897 -3.751 -1.273 67 HA TYR 13 HA TYR 13 -4.881 -1.108 -2.087 68 HB2 TYR 13 1HB TYR 13 -6.077 -1.921 0.570 69 HB3 TYR 13 2HB TYR 13 -5.496 -0.313 0.152 70 HD1 TYR 13 HD2 TYR 13 -8.057 -2.859 -0.696 71 HD2 TYR 13 HD1 TYR 13 -6.896 1.226 -0.952 72 HE1 TYR 13 HE2 TYR 13 -10.288 -2.285 -1.557 73 HE2 TYR 13 HE1 TYR 13 -9.124 1.812 -1.813 74 HH TYR 13 HH TYR 13 -11.581 -0.682 -2.398 75 H LYS 14 H LYS 14 -3.287 -3.467 -2.122 76 HA LYS 14 HA LYS 14 -1.607 -3.321 0.252 77 HB2 LYS 14 1HB LYS 14 -1.880 -5.538 -0.428 78 HB3 LYS 14 2HB LYS 14 -1.737 -5.135 -2.134 79 HG2 LYS 14 1HG LYS 14 0.608 -4.871 -1.970 80 HG3 LYS 14 2HG LYS 14 0.558 -4.908 -0.206 81 HD2 LYS 14 1HD LYS 14 -0.181 -7.240 -0.277 82 HD3 LYS 14 2HD LYS 14 -0.140 -7.202 -2.041 83 HE2 LYS 14 1HE LYS 14 2.236 -6.870 -2.036 84 HE3 LYS 14 2HE LYS 14 2.251 -6.675 -0.284 85 HZ1 LYS 14 3HZ LYS 14 2.835 -8.956 -1.444 86 HZ2 LYS 14 1HZ LYS 14 1.159 -9.166 -1.343 87 HZ3 LYS 14 2HZ LYS 14 2.063 -8.892 0.060 88 H CYS 15 H CYS 15 0.066 -1.990 0.383 89 HA CYS 15 HA CYS 15 0.891 -0.309 -1.712 90 HB2 CYS 15 1HB CYS 15 1.181 0.232 0.681 91 HB3 CYS 15 2HB CYS 15 2.394 -1.037 0.812 92 H ASN 16 H ASN 16 2.116 -0.719 -3.419 93 HA ASN 16 HA ASN 16 3.570 -3.206 -3.617 94 HB2 ASN 16 1HB ASN 16 2.978 -0.952 -5.517 95 HB3 ASN 16 2HB ASN 16 4.166 -2.186 -5.928 96 HD21 ASN 16 1HD2 ASN 16 0.804 -1.564 -5.230 97 HD22 ASN 16 2HD2 ASN 16 0.188 -3.019 -5.929 98 H GLU 17 H GLU 17 4.265 0.119 -2.956 99 HA GLU 17 HA GLU 17 6.966 0.238 -3.675 100 HB2 GLU 17 1HB GLU 17 5.213 1.724 -1.786 101 HB3 GLU 17 2HB GLU 17 6.951 1.906 -1.589 102 HG2 GLU 17 1HG GLU 17 7.210 2.974 -3.598 103 HG3 GLU 17 2HG GLU 17 5.769 2.240 -4.298 104 H CYS 18 H CYS 18 5.444 -0.727 -0.617 105 HA CYS 18 HA CYS 18 8.036 -1.845 0.228 106 HB2 CYS 18 1HB CYS 18 7.282 -1.577 2.539 107 HB3 CYS 18 2HB CYS 18 7.237 -0.035 1.691 108 H GLY 19 H GLY 19 4.519 -2.355 0.363 109 HA2 GLY 19 1HA GLY 19 3.824 -4.624 -0.429 110 HA3 GLY 19 2HA GLY 19 5.061 -5.247 0.653 111 H LYS 20 H LYS 20 3.285 -2.517 1.742 112 HA LYS 20 HA LYS 20 2.188 -4.034 3.924 113 HB2 LYS 20 1HB LYS 20 3.061 -1.540 3.826 114 HB3 LYS 20 2HB LYS 20 1.390 -1.205 3.390 115 HG2 LYS 20 1HG LYS 20 0.588 -1.785 5.450 116 HG3 LYS 20 2HG LYS 20 1.920 -2.896 5.778 117 HD2 LYS 20 1HD LYS 20 3.413 -1.090 6.228 118 HD3 LYS 20 2HD LYS 20 2.246 0.098 5.642 119 HE2 LYS 20 1HE LYS 20 1.969 0.289 7.916 120 HE3 LYS 20 2HE LYS 20 0.730 -0.903 7.523 121 HZ1 LYS 20 3HZ LYS 20 1.802 -1.831 9.328 122 HZ2 LYS 20 1HZ LYS 20 3.335 -1.310 8.838 123 HZ3 LYS 20 2HZ LYS 20 2.581 -2.592 8.033 124 H VAL 21 H VAL 21 -0.165 -3.591 4.562 125 HA VAL 21 HA VAL 21 -1.921 -3.605 2.205 126 HB VAL 21 HB VAL 21 -2.033 -5.586 4.483 127 HG11 VAL 21 1HG1 VAL 21 -4.275 -5.090 3.984 128 HG12 VAL 21 2HG1 VAL 21 -3.956 -5.000 2.250 129 HG13 VAL 21 3HG1 VAL 21 -3.918 -6.559 3.075 130 HG21 VAL 21 3HG2 VAL 21 -1.432 -5.891 1.545 131 HG22 VAL 21 1HG2 VAL 21 -0.351 -6.211 2.902 132 HG23 VAL 21 2HG2 VAL 21 -1.757 -7.242 2.631 133 H PHE 22 H PHE 22 -4.120 -3.028 2.632 134 HA PHE 22 HA PHE 22 -4.749 -1.954 5.261 135 HB2 PHE 22 1HB PHE 22 -4.775 -0.227 2.776 136 HB3 PHE 22 2HB PHE 22 -5.387 0.250 4.356 137 HD1 PHE 22 HD1 PHE 22 -3.874 0.762 6.177 138 HD2 PHE 22 HD2 PHE 22 -2.408 -0.352 2.339 139 HE1 PHE 22 HE1 PHE 22 -1.640 1.589 6.794 140 HE2 PHE 22 HE2 PHE 22 -0.172 0.472 2.950 141 HZ PHE 22 HZ PHE 22 0.215 1.443 5.180 142 H THR 23 H THR 23 -7.051 -0.723 4.904 143 HA THR 23 HA THR 23 -8.729 -2.648 3.430 144 HB THR 23 HB THR 23 -9.473 -1.171 5.962 145 HG1 THR 23 HG1 THR 23 -9.307 -3.293 6.892 146 HG21 THR 23 3HG2 THR 23 -11.172 -2.090 4.073 147 HG22 THR 23 1HG2 THR 23 -11.555 -2.041 5.793 148 HG23 THR 23 2HG2 THR 23 -10.983 -3.539 5.059 149 H GLN 24 H GLN 24 -8.434 0.705 4.532 150 HA GLN 24 HA GLN 24 -10.398 1.491 2.487 151 HB2 GLN 24 1HB GLN 24 -10.939 2.120 4.826 152 HB3 GLN 24 2HB GLN 24 -9.455 3.062 4.892 153 HG2 GLN 24 1HG GLN 24 -11.210 4.583 4.488 154 HG3 GLN 24 2HG GLN 24 -10.336 4.405 2.968 155 HE21 GLN 24 1HE2 GLN 24 -13.038 5.317 3.375 156 HE22 GLN 24 2HE2 GLN 24 -14.066 4.233 2.509 157 H ASN 25 H ASN 25 -9.808 2.772 0.836 158 HA ASN 25 HA ASN 25 -7.323 3.021 -0.144 159 HB2 ASN 25 1HB ASN 25 -9.013 3.792 -1.558 160 HB3 ASN 25 2HB ASN 25 -9.669 4.883 -0.341 161 HD21 ASN 25 1HD2 ASN 25 -7.531 4.520 -2.958 162 HD22 ASN 25 2HD2 ASN 25 -6.872 6.118 -2.947 163 H SER 26 H SER 26 -8.825 5.683 1.702 164 HA SER 26 HA SER 26 -6.714 7.375 1.945 165 HB2 SER 26 1HB SER 26 -8.549 6.720 4.258 166 HB3 SER 26 2HB SER 26 -7.723 8.247 3.947 167 HG SER 26 HG SER 26 -9.007 8.450 2.054 168 H HIS 27 H HIS 27 -7.461 4.832 4.335 169 HA HIS 27 HA HIS 27 -5.333 5.053 6.008 170 HB2 HIS 27 1HB HIS 27 -6.480 2.451 4.974 171 HB3 HIS 27 2HB HIS 27 -5.539 2.642 6.449 172 HD1 HIS 27 HD1 HIS 27 -8.198 1.447 6.876 173 HD2 HIS 27 HD2 HIS 27 -7.662 5.565 6.748 174 HE1 HIS 27 HE1 HIS 27 -10.168 2.419 8.099 175 H LEU 28 H LEU 28 -5.327 3.723 2.767 176 HA LEU 28 HA LEU 28 -2.609 2.761 2.974 177 HB2 LEU 28 1HB LEU 28 -3.785 1.424 1.537 178 HB3 LEU 28 2HB LEU 28 -4.731 2.764 0.894 179 HG LEU 28 HG LEU 28 -2.822 3.480 -0.448 180 HD11 LEU 28 1HD1 LEU 28 -0.996 2.800 0.951 181 HD12 LEU 28 2HD1 LEU 28 -0.842 1.996 -0.610 182 HD13 LEU 28 3HD1 LEU 28 -1.443 1.102 0.786 183 HD21 LEU 28 3HD2 LEU 28 -3.291 0.532 -0.847 184 HD22 LEU 28 1HD2 LEU 28 -2.897 1.742 -2.068 185 HD23 LEU 28 2HD2 LEU 28 -4.470 1.774 -1.272 186 H ALA 29 H ALA 29 -4.241 5.186 0.926 187 HA ALA 29 HA ALA 29 -2.116 6.339 -0.312 188 HB1 ALA 29 3HB ALA 29 -4.262 8.068 0.869 189 HB2 ALA 29 1HB ALA 29 -3.427 8.235 -0.675 190 HB3 ALA 29 2HB ALA 29 -4.605 6.942 -0.444 191 H ARG 30 H ARG 30 -3.354 7.299 2.891 192 HA ARG 30 HA ARG 30 -1.511 9.279 3.472 193 HB2 ARG 30 1HB ARG 30 -2.029 8.888 5.823 194 HB3 ARG 30 2HB ARG 30 -3.491 8.808 4.849 195 HG2 ARG 30 1HG ARG 30 -3.306 6.331 4.878 196 HG3 ARG 30 2HG ARG 30 -1.946 6.493 5.991 197 HD2 ARG 30 1HD ARG 30 -3.953 6.054 7.249 198 HD3 ARG 30 2HD ARG 30 -3.424 7.708 7.557 199 HE ARG 30 HE ARG 30 -5.332 7.571 5.443 200 HH11 ARG 30 1HH1 ARG 30 -4.980 7.557 8.906 201 HH12 ARG 30 2HH1 ARG 30 -6.568 8.186 9.201 202 HH21 ARG 30 1HH2 ARG 30 -7.425 8.399 5.818 203 HH22 ARG 30 2HH2 ARG 30 -7.958 8.663 7.443 204 H HIS 31 H HIS 31 -1.228 5.783 3.864 205 HA HIS 31 HA HIS 31 1.234 5.806 5.257 206 HB2 HIS 31 1HB HIS 31 0.140 3.775 5.442 207 HB3 HIS 31 2HB HIS 31 -0.324 3.751 3.743 208 HD1 HIS 31 HD1 HIS 31 2.867 3.446 5.796 209 HD2 HIS 31 HD2 HIS 31 1.185 2.073 2.254 210 HE1 HIS 31 HE1 HIS 31 4.523 1.802 4.859 211 H ARG 32 H ARG 32 0.471 5.310 1.816 212 HA ARG 32 HA ARG 32 3.002 4.895 0.824 213 HB2 ARG 32 1HB ARG 32 0.712 6.423 -0.421 214 HB3 ARG 32 2HB ARG 32 2.154 5.926 -1.296 215 HG2 ARG 32 1HG ARG 32 1.600 3.560 -0.652 216 HG3 ARG 32 2HG ARG 32 0.052 4.170 -0.062 217 HD2 ARG 32 1HD ARG 32 0.896 4.907 -2.815 218 HD3 ARG 32 2HD ARG 32 0.352 3.255 -2.530 219 HE ARG 32 HE ARG 32 -1.556 4.876 -1.388 220 HH11 ARG 32 1HH1 ARG 32 -0.198 4.420 -4.561 221 HH12 ARG 32 2HH1 ARG 32 -1.648 4.882 -5.390 222 HH21 ARG 32 1HH2 ARG 32 -3.470 5.487 -2.468 223 HH22 ARG 32 2HH2 ARG 32 -3.508 5.490 -4.199 224 H GLY 33 H GLY 33 1.735 7.743 2.240 225 HA2 GLY 33 1HA GLY 33 3.214 9.747 0.977 226 HA3 GLY 33 2HA GLY 33 2.653 9.807 2.641 227 H ILE 34 H ILE 34 4.245 7.286 3.177 228 HA ILE 34 HA ILE 34 6.592 8.589 4.122 229 HB ILE 34 HB ILE 34 7.251 6.490 5.030 230 HG12 ILE 34 1HG1 ILE 34 5.140 5.180 3.303 231 HG13 ILE 34 2HG1 ILE 34 6.864 5.172 2.946 232 HG21 ILE 34 1HG2 ILE 34 4.322 7.069 5.120 233 HG22 ILE 34 2HG2 ILE 34 4.968 5.669 5.975 234 HG23 ILE 34 3HG2 ILE 34 5.549 7.287 6.368 235 HD11 ILE 34 3HD1 ILE 34 7.063 4.131 5.323 236 HD12 ILE 34 1HD1 ILE 34 5.363 3.733 5.075 237 HD13 ILE 34 2HD1 ILE 34 6.583 3.133 3.951 238 H HIS 35 H HIS 35 5.823 6.688 1.300 239 HA HIS 35 HA HIS 35 8.615 6.422 0.537 240 HB2 HIS 35 1HB HIS 35 6.171 5.655 -1.065 241 HB3 HIS 35 2HB HIS 35 7.824 5.098 -1.307 242 HD1 HIS 35 HD1 HIS 35 8.786 3.724 0.918 243 HD2 HIS 35 HD2 HIS 35 4.675 3.908 0.348 244 HE1 HIS 35 HE1 HIS 35 7.832 1.844 2.290 245 H THR 36 H THR 36 5.841 8.393 -0.193 246 HA THR 36 HA THR 36 7.202 9.644 -2.458 247 HB THR 36 HB THR 36 5.084 10.886 -2.785 248 HG1 THR 36 HG1 THR 36 3.808 9.219 -0.920 249 HG21 THR 36 3HG2 THR 36 3.940 9.122 -3.779 250 HG22 THR 36 1HG2 THR 36 4.368 7.990 -2.497 251 HG23 THR 36 2HG2 THR 36 5.586 8.497 -3.668 252 H GLY 37 H GLY 37 7.717 11.835 -2.535 253 HA2 GLY 37 1HA GLY 37 7.203 13.969 -1.098 254 HA3 GLY 37 2HA GLY 37 8.106 13.054 0.100 255 H GLU 38 H GLU 38 10.318 12.875 -0.072 256 HA GLU 38 HA GLU 38 11.627 14.074 -2.394 257 HB2 GLU 38 1HB GLU 38 11.379 15.921 -0.824 258 HB3 GLU 38 2HB GLU 38 12.108 14.960 0.455 259 HG2 GLU 38 1HG GLU 38 13.727 16.510 -0.381 260 HG3 GLU 38 2HG GLU 38 14.202 14.877 -0.846 261 H LYS 39 H LYS 39 12.883 12.472 -3.081 262 HA LYS 39 HA LYS 39 13.742 10.242 -1.782 263 HB2 LYS 39 1HB LYS 39 15.507 10.047 -3.444 264 HB3 LYS 39 2HB LYS 39 14.031 10.638 -4.197 265 HG2 LYS 39 1HG LYS 39 14.906 12.896 -4.209 266 HG3 LYS 39 2HG LYS 39 16.365 12.356 -3.375 267 HD2 LYS 39 1HD LYS 39 16.915 10.916 -5.279 268 HD3 LYS 39 2HD LYS 39 15.456 11.460 -6.111 269 HE2 LYS 39 1HE LYS 39 16.298 13.601 -6.445 270 HE3 LYS 39 2HE LYS 39 17.491 13.438 -5.158 271 HZ1 LYS 39 3HZ LYS 39 17.594 12.469 -7.920 272 HZ2 LYS 39 1HZ LYS 39 18.388 11.567 -6.730 273 HZ3 LYS 39 2HZ LYS 39 18.806 13.186 -6.984 274 HA PRO 40 HA PRO 40 16.705 11.406 1.250 275 HB2 PRO 40 1HB PRO 40 18.199 9.141 1.344 276 HB3 PRO 40 2HB PRO 40 16.567 9.244 2.015 277 HG2 PRO 40 1HG PRO 40 17.469 8.119 -0.609 278 HG3 PRO 40 2HG PRO 40 16.288 7.466 0.542 279 HD2 PRO 40 1HD PRO 40 15.555 8.800 -1.698 280 HD3 PRO 40 2HD PRO 40 14.608 8.860 -0.197 281 H SER 41 H SER 41 18.013 13.012 0.497 282 HA SER 41 HA SER 41 20.010 12.477 -1.530 283 HB2 SER 41 1HB SER 41 18.884 14.618 -1.617 284 HB3 SER 41 2HB SER 41 19.350 14.976 0.045 285 HG SER 41 HG SER 41 20.854 15.076 -2.291 286 H GLY 42 H GLY 42 21.688 11.281 -0.839 287 HA2 GLY 42 1HA GLY 42 23.719 12.330 0.719 288 HA3 GLY 42 2HA GLY 42 22.723 11.381 1.812 289 HA PRO 43 HA PRO 43 25.927 8.676 -0.299 290 HB2 PRO 43 1HB PRO 43 27.145 7.838 1.978 291 HB3 PRO 43 2HB PRO 43 27.636 9.295 1.107 292 HG2 PRO 43 1HG PRO 43 25.907 9.033 3.537 293 HG3 PRO 43 2HG PRO 43 27.196 10.204 3.201 294 HD2 PRO 43 1HD PRO 43 24.571 10.809 2.927 295 HD3 PRO 43 2HD PRO 43 25.829 11.526 1.900 296 H SER 44 H SER 44 23.998 7.429 -0.767 297 HA SER 44 HA SER 44 23.569 5.265 1.186 298 HB2 SER 44 1HB SER 44 21.585 6.697 1.104 299 HB3 SER 44 2HB SER 44 21.508 6.515 -0.648 300 HG SER 44 HG SER 44 20.626 4.616 -0.408 301 H SER 45 H SER 45 25.146 3.999 0.131 302 HA SER 45 HA SER 45 25.009 3.417 -2.658 303 HB2 SER 45 1HB SER 45 26.506 2.166 -0.356 304 HB3 SER 45 2HB SER 45 26.609 1.531 -1.998 305 HG SER 45 HG SER 45 27.333 4.123 -1.103 306 H GLY 46 H GLY 46 24.098 1.716 -3.721 307 HA2 GLY 46 1HA GLY 46 22.127 0.174 -2.201 308 HA3 GLY 46 2HA GLY 46 22.170 0.365 -3.948 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.265 -24.547 20.107 2 HA2 GLY 1 1HA GLY 1 10.153 -23.401 18.089 3 HA3 GLY 1 2HA GLY 1 10.277 -24.937 17.244 4 H SER 2 H SER 2 8.383 -22.434 17.326 5 HA SER 2 HA SER 2 5.856 -23.936 17.445 6 HB2 SER 2 1HB SER 2 4.756 -21.734 17.634 7 HB3 SER 2 2HB SER 2 5.938 -21.980 18.919 8 HG SER 2 HG SER 2 7.420 -20.761 17.573 9 H SER 3 H SER 3 4.224 -23.426 15.817 10 HA SER 3 HA SER 3 5.254 -23.636 13.199 11 HB2 SER 3 1HB SER 3 2.982 -23.693 12.466 12 HB3 SER 3 2HB SER 3 3.019 -24.504 14.032 13 HG SER 3 HG SER 3 1.292 -22.976 13.817 14 H GLY 4 H GLY 4 5.520 -22.175 11.579 15 HA2 GLY 4 1HA GLY 4 5.833 -19.434 12.289 16 HA3 GLY 4 2HA GLY 4 6.002 -20.113 10.678 17 H SER 5 H SER 5 4.818 -18.802 9.424 18 HA SER 5 HA SER 5 1.988 -18.435 10.158 19 HB2 SER 5 1HB SER 5 1.998 -16.204 9.382 20 HB3 SER 5 2HB SER 5 3.483 -16.349 10.322 21 HG SER 5 HG SER 5 3.373 -15.461 7.948 22 H SER 6 H SER 6 0.543 -18.093 8.314 23 HA SER 6 HA SER 6 1.514 -19.493 5.908 24 HB2 SER 6 1HB SER 6 -1.308 -19.482 7.005 25 HB3 SER 6 2HB SER 6 -0.726 -20.399 5.616 26 HG SER 6 HG SER 6 -0.339 -21.892 7.041 27 H GLY 7 H GLY 7 2.119 -17.487 4.951 28 HA2 GLY 7 1HA GLY 7 0.483 -15.251 4.646 29 HA3 GLY 7 2HA GLY 7 1.771 -15.710 3.542 30 H THR 8 H THR 8 -1.648 -15.854 4.190 31 HA THR 8 HA THR 8 -2.110 -16.472 1.367 32 HB THR 8 HB THR 8 -3.616 -17.882 3.576 33 HG1 THR 8 HG1 THR 8 -1.309 -18.514 3.119 34 HG21 THR 8 3HG2 THR 8 -5.112 -17.971 1.868 35 HG22 THR 8 1HG2 THR 8 -4.090 -19.314 1.360 36 HG23 THR 8 2HG2 THR 8 -3.881 -17.722 0.631 37 H GLY 9 H GLY 9 -3.493 -15.064 0.512 38 HA2 GLY 9 1HA GLY 9 -5.533 -13.884 0.389 39 HA3 GLY 9 2HA GLY 9 -5.699 -14.034 2.132 40 H GLU 10 H GLU 10 -5.818 -11.699 0.226 41 HA GLU 10 HA GLU 10 -4.548 -9.814 1.930 42 HB2 GLU 10 1HB GLU 10 -2.891 -8.916 0.440 43 HB3 GLU 10 2HB GLU 10 -2.583 -10.636 0.633 44 HG2 GLU 10 1HG GLU 10 -3.666 -11.070 -1.515 45 HG3 GLU 10 2HG GLU 10 -3.961 -9.343 -1.710 46 H LYS 11 H LYS 11 -5.415 -7.806 1.688 47 HA LYS 11 HA LYS 11 -7.753 -7.552 0.089 48 HB2 LYS 11 1HB LYS 11 -6.259 -5.818 1.993 49 HB3 LYS 11 2HB LYS 11 -7.369 -5.031 0.878 50 HG2 LYS 11 1HG LYS 11 -8.695 -5.403 2.725 51 HG3 LYS 11 2HG LYS 11 -9.071 -6.795 1.707 52 HD2 LYS 11 1HD LYS 11 -7.150 -7.947 3.025 53 HD3 LYS 11 2HD LYS 11 -7.421 -6.659 4.202 54 HE2 LYS 11 1HE LYS 11 -9.733 -8.251 3.175 55 HE3 LYS 11 2HE LYS 11 -8.690 -8.928 4.425 56 HZ1 LYS 11 3HZ LYS 11 -9.660 -6.209 4.841 57 HZ2 LYS 11 1HZ LYS 11 -9.418 -7.456 5.959 58 HZ3 LYS 11 2HZ LYS 11 -10.799 -7.453 4.982 59 HA PRO 12 HA PRO 12 -6.205 -5.849 -3.649 60 HB2 PRO 12 1HB PRO 12 -8.210 -4.148 -4.325 61 HB3 PRO 12 2HB PRO 12 -8.365 -5.906 -4.431 62 HG2 PRO 12 1HG PRO 12 -9.326 -4.045 -2.292 63 HG3 PRO 12 2HG PRO 12 -10.159 -5.424 -3.032 64 HD2 PRO 12 1HD PRO 12 -8.948 -5.580 -0.616 65 HD3 PRO 12 2HD PRO 12 -9.041 -6.961 -1.728 66 H TYR 13 H TYR 13 -6.281 -4.127 -0.847 67 HA TYR 13 HA TYR 13 -5.323 -1.650 -2.118 68 HB2 TYR 13 1HB TYR 13 -6.593 -2.178 0.560 69 HB3 TYR 13 2HB TYR 13 -5.688 -0.701 0.246 70 HD1 TYR 13 HD2 TYR 13 -8.002 -2.578 -1.991 71 HD2 TYR 13 HD1 TYR 13 -7.290 0.989 0.216 72 HE1 TYR 13 HE2 TYR 13 -10.009 -1.566 -2.990 73 HE2 TYR 13 HE1 TYR 13 -9.296 2.011 -0.775 74 HH TYR 13 HH TYR 13 -11.302 0.230 -3.107 75 H LYS 14 H LYS 14 -3.455 -3.474 -2.268 76 HA LYS 14 HA LYS 14 -1.743 -3.280 0.101 77 HB2 LYS 14 1HB LYS 14 -1.877 -5.511 -0.651 78 HB3 LYS 14 2HB LYS 14 -1.711 -5.042 -2.338 79 HG2 LYS 14 1HG LYS 14 0.570 -4.768 -2.178 80 HG3 LYS 14 2HG LYS 14 0.522 -4.508 -0.433 81 HD2 LYS 14 1HD LYS 14 0.221 -6.800 0.006 82 HD3 LYS 14 2HD LYS 14 -0.214 -7.148 -1.669 83 HE2 LYS 14 1HE LYS 14 2.047 -6.720 -2.390 84 HE3 LYS 14 2HE LYS 14 2.505 -6.203 -0.768 85 HZ1 LYS 14 3HZ LYS 14 3.117 -8.549 -1.439 86 HZ2 LYS 14 1HZ LYS 14 1.471 -8.921 -1.310 87 HZ3 LYS 14 2HZ LYS 14 2.323 -8.374 0.045 88 H CYS 15 H CYS 15 0.164 -2.201 0.121 89 HA CYS 15 HA CYS 15 0.608 -0.230 -1.904 90 HB2 CYS 15 1HB CYS 15 1.105 0.391 0.347 91 HB3 CYS 15 2HB CYS 15 2.143 -1.013 0.575 92 H ASN 16 H ASN 16 2.582 0.054 -3.109 93 HA ASN 16 HA ASN 16 3.719 -2.520 -3.948 94 HB2 ASN 16 1HB ASN 16 2.781 -1.472 -5.828 95 HB3 ASN 16 2HB ASN 16 3.357 0.120 -5.342 96 HD21 ASN 16 1HD2 ASN 16 3.801 -2.264 -7.502 97 HD22 ASN 16 2HD2 ASN 16 5.459 -2.003 -7.910 98 H GLU 17 H GLU 17 4.544 0.666 -2.756 99 HA GLU 17 HA GLU 17 7.278 0.714 -3.206 100 HB2 GLU 17 1HB GLU 17 5.646 1.815 -0.920 101 HB3 GLU 17 2HB GLU 17 7.364 2.135 -1.106 102 HG2 GLU 17 1HG GLU 17 6.201 3.989 -2.001 103 HG3 GLU 17 2HG GLU 17 6.863 3.084 -3.360 104 H CYS 18 H CYS 18 5.682 -0.314 -0.183 105 HA CYS 18 HA CYS 18 8.080 -1.885 0.460 106 HB2 CYS 18 1HB CYS 18 7.245 -1.886 2.772 107 HB3 CYS 18 2HB CYS 18 7.420 -0.247 2.155 108 H GLY 19 H GLY 19 4.528 -2.096 0.466 109 HA2 GLY 19 1HA GLY 19 3.596 -4.121 -0.609 110 HA3 GLY 19 2HA GLY 19 4.821 -5.031 0.263 111 H LYS 20 H LYS 20 2.948 -2.382 1.615 112 HA LYS 20 HA LYS 20 2.047 -4.111 3.753 113 HB2 LYS 20 1HB LYS 20 2.829 -1.597 3.852 114 HB3 LYS 20 2HB LYS 20 1.145 -1.274 3.459 115 HG2 LYS 20 1HG LYS 20 0.380 -2.048 5.472 116 HG3 LYS 20 2HG LYS 20 1.758 -3.127 5.705 117 HD2 LYS 20 1HD LYS 20 3.178 -1.327 6.313 118 HD3 LYS 20 2HD LYS 20 2.002 -0.127 5.771 119 HE2 LYS 20 1HE LYS 20 2.014 -0.275 8.196 120 HE3 LYS 20 2HE LYS 20 0.472 -0.836 7.551 121 HZ1 LYS 20 3HZ LYS 20 2.379 -2.952 7.839 122 HZ2 LYS 20 1HZ LYS 20 0.788 -2.849 8.407 123 HZ3 LYS 20 2HZ LYS 20 2.053 -2.182 9.310 124 H VAL 21 H VAL 21 -0.278 -3.910 4.488 125 HA VAL 21 HA VAL 21 -2.095 -3.874 2.168 126 HB VAL 21 HB VAL 21 -2.137 -5.814 4.483 127 HG11 VAL 21 1HG1 VAL 21 -4.010 -5.728 2.126 128 HG12 VAL 21 2HG1 VAL 21 -4.108 -6.767 3.548 129 HG13 VAL 21 3HG1 VAL 21 -4.391 -5.033 3.701 130 HG21 VAL 21 3HG2 VAL 21 -0.448 -6.354 2.820 131 HG22 VAL 21 1HG2 VAL 21 -1.778 -7.510 2.741 132 HG23 VAL 21 2HG2 VAL 21 -1.648 -6.231 1.534 133 H PHE 22 H PHE 22 -4.115 -3.000 2.470 134 HA PHE 22 HA PHE 22 -4.848 -2.062 5.140 135 HB2 PHE 22 1HB PHE 22 -4.948 -0.200 2.769 136 HB3 PHE 22 2HB PHE 22 -5.197 0.195 4.466 137 HD1 PHE 22 HD2 PHE 22 -2.685 -0.703 1.932 138 HD2 PHE 22 HD1 PHE 22 -3.368 0.647 5.911 139 HE1 PHE 22 HE2 PHE 22 -0.304 -0.121 2.140 140 HE2 PHE 22 HE1 PHE 22 -0.988 1.232 6.125 141 HZ PHE 22 HZ PHE 22 0.548 0.847 4.238 142 H THR 23 H THR 23 -7.109 -1.043 5.061 143 HA THR 23 HA THR 23 -8.789 -2.717 3.315 144 HB THR 23 HB THR 23 -9.108 -3.184 5.689 145 HG1 THR 23 HG1 THR 23 -10.960 -2.795 4.007 146 HG21 THR 23 3HG2 THR 23 -9.917 -0.284 5.928 147 HG22 THR 23 1HG2 THR 23 -8.435 -0.989 6.570 148 HG23 THR 23 2HG2 THR 23 -10.000 -1.495 7.207 149 H GLN 24 H GLN 24 -8.195 0.542 4.440 150 HA GLN 24 HA GLN 24 -10.227 1.518 2.542 151 HB2 GLN 24 1HB GLN 24 -11.036 2.269 4.577 152 HB3 GLN 24 2HB GLN 24 -9.428 2.482 5.257 153 HG2 GLN 24 1HG GLN 24 -9.091 4.498 4.081 154 HG3 GLN 24 2HG GLN 24 -10.496 4.218 3.054 155 HE21 GLN 24 1HE2 GLN 24 -12.554 3.818 4.481 156 HE22 GLN 24 2HE2 GLN 24 -12.823 5.021 5.690 157 H ASN 25 H ASN 25 -9.614 2.944 1.009 158 HA ASN 25 HA ASN 25 -7.014 3.167 0.162 159 HB2 ASN 25 1HB ASN 25 -8.634 3.788 -1.407 160 HB3 ASN 25 2HB ASN 25 -9.429 4.894 -0.290 161 HD21 ASN 25 1HD2 ASN 25 -7.495 4.707 -2.936 162 HD22 ASN 25 2HD2 ASN 25 -6.752 6.265 -2.862 163 H SER 26 H SER 26 -8.826 5.667 1.949 164 HA SER 26 HA SER 26 -6.954 7.599 2.249 165 HB2 SER 26 1HB SER 26 -9.281 7.605 3.211 166 HB3 SER 26 2HB SER 26 -8.666 6.636 4.549 167 HG SER 26 HG SER 26 -8.226 8.518 5.381 168 H HIS 27 H HIS 27 -7.216 4.682 4.260 169 HA HIS 27 HA HIS 27 -5.013 5.269 5.926 170 HB2 HIS 27 1HB HIS 27 -5.971 2.492 5.241 171 HB3 HIS 27 2HB HIS 27 -5.208 3.040 6.731 172 HD1 HIS 27 HD1 HIS 27 -7.772 1.587 7.087 173 HD2 HIS 27 HD2 HIS 27 -7.640 5.684 6.413 174 HE1 HIS 27 HE1 HIS 27 -9.944 2.486 7.981 175 H LEU 28 H LEU 28 -5.297 3.680 2.815 176 HA LEU 28 HA LEU 28 -2.592 2.712 2.802 177 HB2 LEU 28 1HB LEU 28 -4.032 1.428 1.510 178 HB3 LEU 28 2HB LEU 28 -4.811 2.841 0.802 179 HG LEU 28 HG LEU 28 -2.751 3.256 -0.517 180 HD11 LEU 28 1HD1 LEU 28 -1.850 0.505 0.249 181 HD12 LEU 28 2HD1 LEU 28 -1.330 1.921 1.163 182 HD13 LEU 28 3HD1 LEU 28 -0.949 1.791 -0.554 183 HD21 LEU 28 3HD2 LEU 28 -3.486 0.466 -1.172 184 HD22 LEU 28 1HD2 LEU 28 -3.447 1.902 -2.195 185 HD23 LEU 28 2HD2 LEU 28 -4.799 1.642 -1.093 186 H ALA 29 H ALA 29 -4.242 5.036 0.654 187 HA ALA 29 HA ALA 29 -2.148 6.138 -0.644 188 HB1 ALA 29 3HB ALA 29 -4.810 6.943 -0.046 189 HB2 ALA 29 1HB ALA 29 -3.750 8.343 0.120 190 HB3 ALA 29 2HB ALA 29 -3.783 7.435 -1.392 191 H ARG 30 H ARG 30 -3.314 7.271 2.530 192 HA ARG 30 HA ARG 30 -1.413 9.244 2.966 193 HB2 ARG 30 1HB ARG 30 -2.096 9.255 5.200 194 HB3 ARG 30 2HB ARG 30 -3.501 8.632 4.346 195 HG2 ARG 30 1HG ARG 30 -2.968 6.382 5.001 196 HG3 ARG 30 2HG ARG 30 -1.454 6.917 5.732 197 HD2 ARG 30 1HD ARG 30 -4.143 7.935 6.616 198 HD3 ARG 30 2HD ARG 30 -3.388 6.503 7.315 199 HE ARG 30 HE ARG 30 -1.759 8.894 7.328 200 HH11 ARG 30 1HH1 ARG 30 -4.033 6.905 9.057 201 HH12 ARG 30 2HH1 ARG 30 -3.582 7.516 10.614 202 HH21 ARG 30 1HH2 ARG 30 -1.157 9.707 9.372 203 HH22 ARG 30 2HH2 ARG 30 -1.947 9.110 10.792 204 H HIS 31 H HIS 31 -1.269 5.786 3.723 205 HA HIS 31 HA HIS 31 1.164 5.774 5.094 206 HB2 HIS 31 1HB HIS 31 0.099 3.750 5.288 207 HB3 HIS 31 2HB HIS 31 -0.432 3.747 3.609 208 HD1 HIS 31 HD1 HIS 31 2.597 3.000 5.726 209 HD2 HIS 31 HD2 HIS 31 1.204 2.387 1.860 210 HE1 HIS 31 HE1 HIS 31 4.230 1.406 4.668 211 H ARG 32 H ARG 32 0.550 5.118 1.643 212 HA ARG 32 HA ARG 32 3.080 4.664 0.742 213 HB2 ARG 32 1HB ARG 32 1.027 6.384 -0.663 214 HB3 ARG 32 2HB ARG 32 2.374 5.545 -1.423 215 HG2 ARG 32 1HG ARG 32 1.372 3.395 -0.644 216 HG3 ARG 32 2HG ARG 32 -0.035 4.315 -0.108 217 HD2 ARG 32 1HD ARG 32 1.029 4.182 -2.928 218 HD3 ARG 32 2HD ARG 32 -0.395 3.338 -2.320 219 HE ARG 32 HE ARG 32 -0.656 6.106 -1.856 220 HH11 ARG 32 1HH1 ARG 32 -0.704 3.772 -4.439 221 HH12 ARG 32 2HH1 ARG 32 -1.763 4.708 -5.441 222 HH21 ARG 32 1HH2 ARG 32 -2.051 7.348 -3.166 223 HH22 ARG 32 2HH2 ARG 32 -2.528 6.742 -4.716 224 H GLY 33 H GLY 33 1.768 7.665 1.892 225 HA2 GLY 33 1HA GLY 33 3.430 9.548 0.741 226 HA3 GLY 33 2HA GLY 33 2.784 9.669 2.370 227 H ILE 34 H ILE 34 4.109 7.417 3.476 228 HA ILE 34 HA ILE 34 6.445 8.528 4.424 229 HB ILE 34 HB ILE 34 7.013 6.415 5.343 230 HG12 ILE 34 1HG1 ILE 34 5.158 5.180 3.295 231 HG13 ILE 34 2HG1 ILE 34 6.916 5.101 3.268 232 HG21 ILE 34 1HG2 ILE 34 5.267 6.629 6.694 233 HG22 ILE 34 2HG2 ILE 34 4.329 7.396 5.414 234 HG23 ILE 34 3HG2 ILE 34 4.319 5.641 5.584 235 HD11 ILE 34 3HD1 ILE 34 5.025 3.436 4.648 236 HD12 ILE 34 1HD1 ILE 34 6.753 3.202 4.388 237 HD13 ILE 34 2HD1 ILE 34 6.188 4.136 5.774 238 H HIS 35 H HIS 35 5.940 6.604 1.538 239 HA HIS 35 HA HIS 35 8.767 6.341 0.998 240 HB2 HIS 35 1HB HIS 35 6.515 5.772 -0.925 241 HB3 HIS 35 2HB HIS 35 8.137 5.087 -0.920 242 HD1 HIS 35 HD1 HIS 35 8.549 3.802 1.631 243 HD2 HIS 35 HD2 HIS 35 4.757 3.929 -0.061 244 HE1 HIS 35 HE1 HIS 35 7.265 1.933 2.718 245 H THR 36 H THR 36 6.033 8.180 -0.303 246 HA THR 36 HA THR 36 7.683 9.556 -2.227 247 HB THR 36 HB THR 36 5.671 10.840 -2.767 248 HG1 THR 36 HG1 THR 36 4.337 11.120 -1.146 249 HG21 THR 36 3HG2 THR 36 5.765 7.915 -2.738 250 HG22 THR 36 1HG2 THR 36 5.383 9.022 -4.056 251 HG23 THR 36 2HG2 THR 36 4.136 8.573 -2.892 252 H GLY 37 H GLY 37 9.078 11.061 -1.575 253 HA2 GLY 37 1HA GLY 37 8.613 13.519 -0.665 254 HA3 GLY 37 2HA GLY 37 8.550 12.608 0.837 255 H GLU 38 H GLU 38 10.361 13.271 1.854 256 HA GLU 38 HA GLU 38 12.814 13.849 0.614 257 HB2 GLU 38 1HB GLU 38 11.931 13.345 3.418 258 HB3 GLU 38 2HB GLU 38 13.655 13.331 3.074 259 HG2 GLU 38 1HG GLU 38 13.397 15.519 3.608 260 HG3 GLU 38 2HG GLU 38 13.085 15.607 1.876 261 H LYS 39 H LYS 39 14.008 12.450 -0.489 262 HA LYS 39 HA LYS 39 14.158 9.664 0.435 263 HB2 LYS 39 1HB LYS 39 14.957 9.140 -1.834 264 HB3 LYS 39 2HB LYS 39 13.380 9.917 -1.857 265 HG2 LYS 39 1HG LYS 39 14.402 11.066 -3.530 266 HG3 LYS 39 2HG LYS 39 14.837 12.093 -2.162 267 HD2 LYS 39 1HD LYS 39 16.984 10.858 -1.986 268 HD3 LYS 39 2HD LYS 39 16.548 9.963 -3.443 269 HE2 LYS 39 1HE LYS 39 16.507 12.944 -3.499 270 HE3 LYS 39 2HE LYS 39 18.057 12.108 -3.576 271 HZ1 LYS 39 3HZ LYS 39 16.632 10.756 -5.391 272 HZ2 LYS 39 1HZ LYS 39 17.625 12.075 -5.762 273 HZ3 LYS 39 2HZ LYS 39 15.961 12.300 -5.562 274 HA PRO 40 HA PRO 40 18.341 10.164 1.694 275 HB2 PRO 40 1HB PRO 40 19.235 7.623 1.357 276 HB3 PRO 40 2HB PRO 40 18.148 8.093 2.669 277 HG2 PRO 40 1HG PRO 40 17.507 6.778 0.057 278 HG3 PRO 40 2HG PRO 40 16.883 6.413 1.676 279 HD2 PRO 40 1HD PRO 40 15.483 7.863 -0.132 280 HD3 PRO 40 2HD PRO 40 15.361 8.143 1.617 281 H SER 41 H SER 41 20.590 9.846 0.947 282 HA SER 41 HA SER 41 21.247 10.971 -1.377 283 HB2 SER 41 1HB SER 41 22.894 10.228 0.321 284 HB3 SER 41 2HB SER 41 22.726 8.573 -0.265 285 HG SER 41 HG SER 41 24.365 9.228 -1.460 286 H GLY 42 H GLY 42 21.341 7.408 -1.162 287 HA2 GLY 42 1HA GLY 42 21.091 5.810 -2.800 288 HA3 GLY 42 2HA GLY 42 19.683 6.761 -3.250 289 HA PRO 43 HA PRO 43 23.460 8.112 -6.009 290 HB2 PRO 43 1HB PRO 43 25.391 6.219 -6.250 291 HB3 PRO 43 2HB PRO 43 25.441 7.491 -5.024 292 HG2 PRO 43 1HG PRO 43 24.568 4.640 -4.760 293 HG3 PRO 43 2HG PRO 43 25.566 5.610 -3.662 294 HD2 PRO 43 1HD PRO 43 22.934 5.155 -3.220 295 HD3 PRO 43 2HD PRO 43 23.739 6.658 -2.726 296 H SER 44 H SER 44 23.033 4.568 -5.910 297 HA SER 44 HA SER 44 22.540 4.587 -8.798 298 HB2 SER 44 1HB SER 44 22.960 2.220 -8.760 299 HB3 SER 44 2HB SER 44 24.228 2.998 -7.813 300 HG SER 44 HG SER 44 23.205 1.091 -6.850 301 H SER 45 H SER 45 20.502 5.706 -7.361 302 HA SER 45 HA SER 45 18.489 3.901 -6.546 303 HB2 SER 45 1HB SER 45 18.465 6.799 -7.364 304 HB3 SER 45 2HB SER 45 16.971 5.948 -6.971 305 HG SER 45 HG SER 45 19.177 6.520 -5.309 306 H GLY 46 H GLY 46 18.991 5.661 -9.599 307 HA2 GLY 46 1HA GLY 46 18.441 3.885 -11.472 308 HA3 GLY 46 2HA GLY 46 16.822 4.141 -10.837 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -1.080 -32.618 0.619 2 HA2 GLY 1 1HA GLY 1 -1.048 -30.627 1.769 3 HA3 GLY 1 2HA GLY 1 -2.797 -30.792 1.747 4 H SER 2 H SER 2 0.112 -31.252 3.612 5 HA SER 2 HA SER 2 -1.557 -31.647 6.009 6 HB2 SER 2 1HB SER 2 -0.104 -33.633 5.248 7 HB3 SER 2 2HB SER 2 1.271 -32.663 5.777 8 HG SER 2 HG SER 2 -0.859 -32.925 7.550 9 H SER 3 H SER 3 -0.999 -30.521 7.857 10 HA SER 3 HA SER 3 -0.218 -28.767 9.077 11 HB2 SER 3 1HB SER 3 1.934 -30.163 8.652 12 HB3 SER 3 2HB SER 3 2.358 -28.872 7.529 13 HG SER 3 HG SER 3 3.201 -28.374 9.537 14 H GLY 4 H GLY 4 -1.730 -28.121 6.815 15 HA2 GLY 4 1HA GLY 4 -0.496 -26.087 5.246 16 HA3 GLY 4 2HA GLY 4 -2.221 -26.399 5.369 17 H SER 5 H SER 5 -1.247 -23.825 5.187 18 HA SER 5 HA SER 5 -2.398 -22.643 7.514 19 HB2 SER 5 1HB SER 5 -0.242 -23.027 8.512 20 HB3 SER 5 2HB SER 5 0.586 -22.380 7.096 21 HG SER 5 HG SER 5 -0.811 -21.033 9.119 22 H SER 6 H SER 6 -3.427 -20.882 6.850 23 HA SER 6 HA SER 6 -2.249 -19.000 5.034 24 HB2 SER 6 1HB SER 6 -3.057 -20.728 3.451 25 HB3 SER 6 2HB SER 6 -4.685 -20.538 4.100 26 HG SER 6 HG SER 6 -4.350 -19.296 2.200 27 H GLY 7 H GLY 7 -3.455 -17.049 4.861 28 HA2 GLY 7 1HA GLY 7 -5.599 -16.829 6.884 29 HA3 GLY 7 2HA GLY 7 -4.407 -15.570 6.596 30 H THR 8 H THR 8 -6.192 -14.120 6.283 31 HA THR 8 HA THR 8 -8.185 -14.438 4.346 32 HB THR 8 HB THR 8 -6.967 -11.803 5.186 33 HG1 THR 8 HG1 THR 8 -8.605 -13.620 6.541 34 HG21 THR 8 3HG2 THR 8 -8.677 -12.017 3.245 35 HG22 THR 8 1HG2 THR 8 -8.943 -10.797 4.489 36 HG23 THR 8 2HG2 THR 8 -9.847 -12.311 4.532 37 H GLY 9 H GLY 9 -8.365 -13.824 2.208 38 HA2 GLY 9 1HA GLY 9 -6.168 -14.111 0.541 39 HA3 GLY 9 2HA GLY 9 -7.681 -13.352 0.068 40 H GLU 10 H GLU 10 -5.866 -12.235 -1.259 41 HA GLU 10 HA GLU 10 -4.458 -10.154 0.176 42 HB2 GLU 10 1HB GLU 10 -3.456 -11.334 -1.777 43 HB3 GLU 10 2HB GLU 10 -4.679 -10.600 -2.804 44 HG2 GLU 10 1HG GLU 10 -2.797 -9.263 -3.091 45 HG3 GLU 10 2HG GLU 10 -3.807 -8.361 -1.963 46 H LYS 11 H LYS 11 -4.747 -7.914 -0.155 47 HA LYS 11 HA LYS 11 -7.477 -7.197 -0.990 48 HB2 LYS 11 1HB LYS 11 -5.599 -5.895 0.984 49 HB3 LYS 11 2HB LYS 11 -7.096 -5.149 0.439 50 HG2 LYS 11 1HG LYS 11 -6.973 -7.844 1.768 51 HG3 LYS 11 2HG LYS 11 -7.231 -6.329 2.638 52 HD2 LYS 11 1HD LYS 11 -9.170 -5.954 0.993 53 HD3 LYS 11 2HD LYS 11 -9.008 -7.673 0.625 54 HE2 LYS 11 1HE LYS 11 -9.416 -8.250 2.929 55 HE3 LYS 11 2HE LYS 11 -9.419 -6.550 3.394 56 HZ1 LYS 11 3HZ LYS 11 -11.566 -6.440 2.928 57 HZ2 LYS 11 1HZ LYS 11 -11.578 -8.091 2.561 58 HZ3 LYS 11 2HZ LYS 11 -11.298 -6.956 1.339 59 HA PRO 12 HA PRO 12 -5.894 -4.790 -4.311 60 HB2 PRO 12 1HB PRO 12 -7.868 -2.940 -4.531 61 HB3 PRO 12 2HB PRO 12 -8.066 -4.621 -5.040 62 HG2 PRO 12 1HG PRO 12 -8.950 -3.292 -2.507 63 HG3 PRO 12 2HG PRO 12 -9.827 -4.445 -3.531 64 HD2 PRO 12 1HD PRO 12 -8.582 -5.183 -1.243 65 HD3 PRO 12 2HD PRO 12 -8.725 -6.264 -2.643 66 H TYR 13 H TYR 13 -6.130 -3.643 -1.163 67 HA TYR 13 HA TYR 13 -5.041 -1.006 -1.856 68 HB2 TYR 13 1HB TYR 13 -6.037 -2.016 0.816 69 HB3 TYR 13 2HB TYR 13 -5.541 -0.368 0.448 70 HD1 TYR 13 HD2 TYR 13 -8.035 -2.965 -0.496 71 HD2 TYR 13 HD1 TYR 13 -7.106 1.183 -0.322 72 HE1 TYR 13 HE2 TYR 13 -10.341 -2.427 -1.160 73 HE2 TYR 13 HE1 TYR 13 -9.410 1.733 -0.985 74 HH TYR 13 HH TYR 13 -11.317 0.266 -2.402 75 H LYS 14 H LYS 14 -3.431 -3.336 -2.162 76 HA LYS 14 HA LYS 14 -1.599 -3.314 0.106 77 HB2 LYS 14 1HB LYS 14 -1.946 -5.496 -0.677 78 HB3 LYS 14 2HB LYS 14 -1.862 -5.004 -2.363 79 HG2 LYS 14 1HG LYS 14 0.446 -4.913 -2.361 80 HG3 LYS 14 2HG LYS 14 0.539 -4.739 -0.606 81 HD2 LYS 14 1HD LYS 14 -0.574 -7.130 -0.654 82 HD3 LYS 14 2HD LYS 14 0.155 -7.187 -2.261 83 HE2 LYS 14 1HE LYS 14 2.289 -7.171 -1.443 84 HE3 LYS 14 2HE LYS 14 1.844 -6.271 0.005 85 HZ1 LYS 14 3HZ LYS 14 1.717 -8.164 1.118 86 HZ2 LYS 14 1HZ LYS 14 2.200 -9.021 -0.259 87 HZ3 LYS 14 2HZ LYS 14 0.556 -8.767 0.046 88 H CYS 15 H CYS 15 0.120 -2.036 0.182 89 HA CYS 15 HA CYS 15 0.784 -0.234 -1.879 90 HB2 CYS 15 1HB CYS 15 1.263 0.280 0.447 91 HB3 CYS 15 2HB CYS 15 2.364 -1.089 0.554 92 H ASN 16 H ASN 16 2.833 -0.062 -3.019 93 HA ASN 16 HA ASN 16 3.839 -2.711 -3.812 94 HB2 ASN 16 1HB ASN 16 2.703 -1.048 -5.481 95 HB3 ASN 16 2HB ASN 16 4.261 -0.228 -5.442 96 HD21 ASN 16 1HD2 ASN 16 5.202 -0.692 -7.304 97 HD22 ASN 16 2HD2 ASN 16 5.413 -2.277 -7.957 98 H GLU 17 H GLU 17 4.755 0.468 -2.692 99 HA GLU 17 HA GLU 17 7.504 0.384 -3.167 100 HB2 GLU 17 1HB GLU 17 5.883 1.730 -1.012 101 HB3 GLU 17 2HB GLU 17 7.624 1.935 -1.145 102 HG2 GLU 17 1HG GLU 17 5.609 2.632 -3.269 103 HG3 GLU 17 2HG GLU 17 6.408 3.772 -2.187 104 H CYS 18 H CYS 18 5.721 -0.551 -0.226 105 HA CYS 18 HA CYS 18 8.096 -2.049 0.651 106 HB2 CYS 18 1HB CYS 18 7.079 -1.987 2.903 107 HB3 CYS 18 2HB CYS 18 7.349 -0.374 2.252 108 H GLY 19 H GLY 19 4.550 -2.284 0.453 109 HA2 GLY 19 1HA GLY 19 3.649 -4.324 -0.583 110 HA3 GLY 19 2HA GLY 19 4.873 -5.218 0.306 111 H LYS 20 H LYS 20 3.025 -2.583 1.688 112 HA LYS 20 HA LYS 20 2.097 -4.315 3.800 113 HB2 LYS 20 1HB LYS 20 2.111 -1.391 3.268 114 HB3 LYS 20 2HB LYS 20 0.860 -2.000 4.344 115 HG2 LYS 20 1HG LYS 20 2.520 -2.935 5.819 116 HG3 LYS 20 2HG LYS 20 3.812 -2.476 4.706 117 HD2 LYS 20 1HD LYS 20 3.270 -0.119 5.037 118 HD3 LYS 20 2HD LYS 20 1.951 -0.566 6.122 119 HE2 LYS 20 1HE LYS 20 3.390 -1.243 7.801 120 HE3 LYS 20 2HE LYS 20 4.725 -1.524 6.684 121 HZ1 LYS 20 3HZ LYS 20 5.464 0.438 7.403 122 HZ2 LYS 20 1HZ LYS 20 3.973 0.879 8.073 123 HZ3 LYS 20 2HZ LYS 20 4.267 1.127 6.426 124 H VAL 21 H VAL 21 -0.334 -3.596 4.509 125 HA VAL 21 HA VAL 21 -2.106 -3.718 2.189 126 HB VAL 21 HB VAL 21 -2.151 -5.772 4.405 127 HG11 VAL 21 1HG1 VAL 21 -4.048 -6.744 3.101 128 HG12 VAL 21 2HG1 VAL 21 -4.411 -5.199 3.873 129 HG13 VAL 21 3HG1 VAL 21 -4.075 -5.264 2.143 130 HG21 VAL 21 3HG2 VAL 21 -1.674 -6.065 1.440 131 HG22 VAL 21 1HG2 VAL 21 -0.453 -6.204 2.705 132 HG23 VAL 21 2HG2 VAL 21 -1.760 -7.384 2.606 133 H PHE 22 H PHE 22 -4.157 -2.911 2.552 134 HA PHE 22 HA PHE 22 -4.854 -2.068 5.264 135 HB2 PHE 22 1HB PHE 22 -4.976 -0.154 2.929 136 HB3 PHE 22 2HB PHE 22 -5.307 0.202 4.621 137 HD1 PHE 22 HD1 PHE 22 -3.486 0.395 6.231 138 HD2 PHE 22 HD2 PHE 22 -2.734 -0.287 2.097 139 HE1 PHE 22 HE1 PHE 22 -1.136 1.047 6.555 140 HE2 PHE 22 HE2 PHE 22 -0.382 0.363 2.415 141 HZ PHE 22 HZ PHE 22 0.420 1.030 4.645 142 H THR 23 H THR 23 -7.135 -1.040 5.218 143 HA THR 23 HA THR 23 -8.817 -2.672 3.430 144 HB THR 23 HB THR 23 -9.049 -3.333 5.773 145 HG1 THR 23 HG1 THR 23 -11.153 -2.151 4.361 146 HG21 THR 23 3HG2 THR 23 -10.105 -1.720 7.370 147 HG22 THR 23 1HG2 THR 23 -9.799 -0.441 6.196 148 HG23 THR 23 2HG2 THR 23 -8.449 -1.315 6.920 149 H GLN 24 H GLN 24 -8.169 0.506 4.669 150 HA GLN 24 HA GLN 24 -10.392 1.571 3.055 151 HB2 GLN 24 1HB GLN 24 -10.505 1.973 5.542 152 HB3 GLN 24 2HB GLN 24 -9.053 2.951 5.382 153 HG2 GLN 24 1HG GLN 24 -10.829 4.472 5.381 154 HG3 GLN 24 2HG GLN 24 -10.336 4.333 3.694 155 HE21 GLN 24 1HE2 GLN 24 -12.748 3.424 6.058 156 HE22 GLN 24 2HE2 GLN 24 -13.995 3.044 4.925 157 H ASN 25 H ASN 25 -9.906 2.861 1.396 158 HA ASN 25 HA ASN 25 -7.488 3.114 0.226 159 HB2 ASN 25 1HB ASN 25 -8.393 5.379 -0.678 160 HB3 ASN 25 2HB ASN 25 -9.272 3.900 -1.054 161 HD21 ASN 25 1HD2 ASN 25 -11.327 3.683 -0.396 162 HD22 ASN 25 2HD2 ASN 25 -12.187 4.858 0.535 163 H SER 26 H SER 26 -8.869 5.657 2.315 164 HA SER 26 HA SER 26 -6.858 7.450 2.425 165 HB2 SER 26 1HB SER 26 -8.988 7.608 3.708 166 HB3 SER 26 2HB SER 26 -8.332 6.464 4.879 167 HG SER 26 HG SER 26 -7.767 9.141 4.507 168 H HIS 27 H HIS 27 -7.066 4.718 4.713 169 HA HIS 27 HA HIS 27 -4.682 4.999 6.010 170 HB2 HIS 27 1HB HIS 27 -5.826 2.351 5.102 171 HB3 HIS 27 2HB HIS 27 -4.747 2.616 6.468 172 HD1 HIS 27 HD1 HIS 27 -7.380 1.244 7.002 173 HD2 HIS 27 HD2 HIS 27 -6.902 5.367 7.178 174 HE1 HIS 27 HE1 HIS 27 -9.239 2.074 8.479 175 H LEU 28 H LEU 28 -5.220 3.672 2.800 176 HA LEU 28 HA LEU 28 -2.482 2.836 2.475 177 HB2 LEU 28 1HB LEU 28 -4.004 1.537 1.279 178 HB3 LEU 28 2HB LEU 28 -4.888 2.945 0.695 179 HG LEU 28 HG LEU 28 -3.000 3.482 -0.797 180 HD11 LEU 28 1HD1 LEU 28 -1.656 1.568 0.830 181 HD12 LEU 28 2HD1 LEU 28 -1.001 2.600 -0.440 182 HD13 LEU 28 3HD1 LEU 28 -1.642 1.008 -0.842 183 HD21 LEU 28 3HD2 LEU 28 -4.950 1.997 -1.442 184 HD22 LEU 28 1HD2 LEU 28 -3.858 0.630 -1.215 185 HD23 LEU 28 2HD2 LEU 28 -3.496 1.855 -2.431 186 H ALA 29 H ALA 29 -4.430 5.083 0.508 187 HA ALA 29 HA ALA 29 -2.544 6.383 -0.884 188 HB1 ALA 29 3HB ALA 29 -4.308 7.610 -1.430 189 HB2 ALA 29 1HB ALA 29 -5.185 6.992 -0.029 190 HB3 ALA 29 2HB ALA 29 -4.204 8.451 0.117 191 H ARG 30 H ARG 30 -3.386 7.143 2.485 192 HA ARG 30 HA ARG 30 -1.492 9.235 2.762 193 HB2 ARG 30 1HB ARG 30 -2.093 9.294 5.028 194 HB3 ARG 30 2HB ARG 30 -3.551 8.744 4.213 195 HG2 ARG 30 1HG ARG 30 -2.937 6.414 4.799 196 HG3 ARG 30 2HG ARG 30 -1.576 7.050 5.725 197 HD2 ARG 30 1HD ARG 30 -4.398 7.949 6.224 198 HD3 ARG 30 2HD ARG 30 -3.732 6.508 6.993 199 HE ARG 30 HE ARG 30 -3.128 9.249 7.623 200 HH11 ARG 30 1HH1 ARG 30 -2.005 5.957 7.766 201 HH12 ARG 30 2HH1 ARG 30 -0.945 6.239 9.107 202 HH21 ARG 30 1HH2 ARG 30 -1.736 9.633 9.388 203 HH22 ARG 30 2HH2 ARG 30 -0.794 8.330 10.030 204 H HIS 31 H HIS 31 -1.408 5.774 3.440 205 HA HIS 31 HA HIS 31 0.992 5.638 4.843 206 HB2 HIS 31 1HB HIS 31 -0.114 3.620 4.851 207 HB3 HIS 31 2HB HIS 31 -0.559 3.735 3.150 208 HD1 HIS 31 HD1 HIS 31 2.529 3.076 5.263 209 HD2 HIS 31 HD2 HIS 31 0.983 2.226 1.501 210 HE1 HIS 31 HE1 HIS 31 4.162 1.479 4.210 211 H ARG 32 H ARG 32 0.468 5.260 1.337 212 HA ARG 32 HA ARG 32 3.038 4.859 0.492 213 HB2 ARG 32 1HB ARG 32 0.909 6.550 -0.831 214 HB3 ARG 32 2HB ARG 32 2.372 5.985 -1.627 215 HG2 ARG 32 1HG ARG 32 1.676 3.753 -1.577 216 HG3 ARG 32 2HG ARG 32 0.434 4.078 -0.367 217 HD2 ARG 32 1HD ARG 32 -0.888 5.287 -1.957 218 HD3 ARG 32 2HD ARG 32 0.404 5.218 -3.155 219 HE ARG 32 HE ARG 32 -0.497 2.630 -2.302 220 HH11 ARG 32 1HH1 ARG 32 -1.079 5.276 -4.489 221 HH12 ARG 32 2HH1 ARG 32 -1.906 4.299 -5.657 222 HH21 ARG 32 1HH2 ARG 32 -1.584 1.334 -3.833 223 HH22 ARG 32 2HH2 ARG 32 -2.193 2.058 -5.283 224 H GLY 33 H GLY 33 1.706 7.718 1.882 225 HA2 GLY 33 1HA GLY 33 3.342 9.715 0.857 226 HA3 GLY 33 2HA GLY 33 2.668 9.714 2.480 227 H ILE 34 H ILE 34 4.021 7.369 3.403 228 HA ILE 34 HA ILE 34 6.369 8.494 4.406 229 HB ILE 34 HB ILE 34 6.855 6.408 5.387 230 HG12 ILE 34 1HG1 ILE 34 5.068 5.120 3.312 231 HG13 ILE 34 2HG1 ILE 34 6.828 5.079 3.306 232 HG21 ILE 34 1HG2 ILE 34 4.165 7.378 5.337 233 HG22 ILE 34 2HG2 ILE 34 4.156 5.626 5.533 234 HG23 ILE 34 3HG2 ILE 34 5.056 6.635 6.666 235 HD11 ILE 34 3HD1 ILE 34 6.916 3.449 4.834 236 HD12 ILE 34 1HD1 ILE 34 5.586 4.119 5.779 237 HD13 ILE 34 2HD1 ILE 34 5.248 3.152 4.344 238 H HIS 35 H HIS 35 5.775 6.691 1.487 239 HA HIS 35 HA HIS 35 8.591 6.264 0.956 240 HB2 HIS 35 1HB HIS 35 6.198 5.777 -0.830 241 HB3 HIS 35 2HB HIS 35 7.838 5.197 -1.107 242 HD1 HIS 35 HD1 HIS 35 8.677 3.760 1.252 243 HD2 HIS 35 HD2 HIS 35 4.682 3.766 0.113 244 HE1 HIS 35 HE1 HIS 35 7.662 1.738 2.350 245 H THR 36 H THR 36 5.940 8.206 -0.387 246 HA THR 36 HA THR 36 7.592 9.510 -2.320 247 HB THR 36 HB THR 36 5.676 11.007 -2.676 248 HG1 THR 36 HG1 THR 36 5.030 10.984 -0.390 249 HG21 THR 36 3HG2 THR 36 5.764 8.261 -3.129 250 HG22 THR 36 1HG2 THR 36 4.708 9.428 -3.924 251 HG23 THR 36 2HG2 THR 36 4.145 8.557 -2.497 252 H GLY 37 H GLY 37 8.996 11.096 -1.973 253 HA2 GLY 37 1HA GLY 37 8.586 13.442 -0.607 254 HA3 GLY 37 2HA GLY 37 9.241 12.339 0.594 255 H GLU 38 H GLU 38 11.311 11.246 -0.008 256 HA GLU 38 HA GLU 38 13.212 13.210 -0.800 257 HB2 GLU 38 1HB GLU 38 13.462 10.263 -0.201 258 HB3 GLU 38 2HB GLU 38 14.839 11.277 -0.609 259 HG2 GLU 38 1HG GLU 38 13.108 11.341 1.826 260 HG3 GLU 38 2HG GLU 38 14.863 11.219 1.707 261 H LYS 39 H LYS 39 13.233 13.844 -2.873 262 HA LYS 39 HA LYS 39 13.269 11.766 -4.959 263 HB2 LYS 39 1HB LYS 39 12.452 14.671 -5.106 264 HB3 LYS 39 2HB LYS 39 12.599 13.620 -6.508 265 HG2 LYS 39 1HG LYS 39 10.779 13.024 -4.191 266 HG3 LYS 39 2HG LYS 39 10.275 13.935 -5.617 267 HD2 LYS 39 1HD LYS 39 10.834 12.031 -7.040 268 HD3 LYS 39 2HD LYS 39 11.375 11.123 -5.626 269 HE2 LYS 39 1HE LYS 39 9.235 10.317 -5.890 270 HE3 LYS 39 2HE LYS 39 8.970 11.629 -4.743 271 HZ1 LYS 39 3HZ LYS 39 8.812 12.605 -7.391 272 HZ2 LYS 39 1HZ LYS 39 7.631 12.622 -6.179 273 HZ3 LYS 39 2HZ LYS 39 7.766 11.288 -7.209 274 HA PRO 40 HA PRO 40 17.442 12.793 -5.898 275 HB2 PRO 40 1HB PRO 40 17.522 12.019 -8.498 276 HB3 PRO 40 2HB PRO 40 17.480 10.871 -7.155 277 HG2 PRO 40 1HG PRO 40 15.245 11.817 -8.908 278 HG3 PRO 40 2HG PRO 40 15.604 10.175 -8.340 279 HD2 PRO 40 1HD PRO 40 13.704 11.729 -7.197 280 HD3 PRO 40 2HD PRO 40 14.653 10.546 -6.274 281 H SER 41 H SER 41 14.927 13.886 -8.141 282 HA SER 41 HA SER 41 16.650 16.081 -9.026 283 HB2 SER 41 1HB SER 41 15.617 14.968 -10.859 284 HB3 SER 41 2HB SER 41 14.041 14.975 -10.069 285 HG SER 41 HG SER 41 15.204 16.876 -11.614 286 H GLY 42 H GLY 42 16.383 16.922 -6.741 287 HA2 GLY 42 1HA GLY 42 15.555 19.131 -6.067 288 HA3 GLY 42 2HA GLY 42 13.971 18.625 -6.637 289 HA PRO 43 HA PRO 43 14.907 17.471 -2.050 290 HB2 PRO 43 1HB PRO 43 14.148 19.734 -0.757 291 HB3 PRO 43 2HB PRO 43 15.815 19.426 -1.256 292 HG2 PRO 43 1HG PRO 43 13.717 21.095 -2.587 293 HG3 PRO 43 2HG PRO 43 15.436 21.451 -2.336 294 HD2 PRO 43 1HD PRO 43 14.463 20.564 -4.702 295 HD3 PRO 43 2HD PRO 43 16.094 20.161 -4.129 296 H SER 44 H SER 44 12.391 19.809 -3.031 297 HA SER 44 HA SER 44 10.394 18.150 -1.663 298 HB2 SER 44 1HB SER 44 10.519 21.041 -2.434 299 HB3 SER 44 2HB SER 44 8.944 20.272 -2.241 300 HG SER 44 HG SER 44 10.618 19.661 -0.196 301 H SER 45 H SER 45 11.031 19.755 -4.759 302 HA SER 45 HA SER 45 10.340 19.291 -6.878 303 HB2 SER 45 1HB SER 45 10.920 16.920 -6.128 304 HB3 SER 45 2HB SER 45 9.194 16.697 -5.842 305 HG SER 45 HG SER 45 10.335 16.255 -8.058 306 H GLY 46 H GLY 46 8.685 20.824 -5.200 307 HA2 GLY 46 1HA GLY 46 6.243 20.711 -6.675 308 HA3 GLY 46 2HA GLY 46 6.019 20.142 -5.027 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.210 -17.516 3.037 2 HA2 GLY 1 1HA GLY 1 12.645 -18.302 4.794 3 HA3 GLY 1 2HA GLY 1 11.824 -18.096 3.255 4 H SER 2 H SER 2 12.367 -20.188 5.778 5 HA SER 2 HA SER 2 11.625 -22.519 4.133 6 HB2 SER 2 1HB SER 2 12.662 -23.932 5.863 7 HB3 SER 2 2HB SER 2 13.827 -22.794 5.186 8 HG SER 2 HG SER 2 14.100 -22.060 7.123 9 H SER 3 H SER 3 9.712 -23.427 4.518 10 HA SER 3 HA SER 3 7.653 -23.811 5.408 11 HB2 SER 3 1HB SER 3 9.420 -23.722 7.829 12 HB3 SER 3 2HB SER 3 7.674 -23.868 8.031 13 HG SER 3 HG SER 3 9.379 -25.609 6.577 14 H GLY 4 H GLY 4 8.025 -21.221 4.564 15 HA2 GLY 4 1HA GLY 4 6.968 -19.487 6.673 16 HA3 GLY 4 2HA GLY 4 7.555 -18.966 5.100 17 H SER 5 H SER 5 5.077 -18.238 6.407 18 HA SER 5 HA SER 5 3.255 -19.023 4.261 19 HB2 SER 5 1HB SER 5 2.766 -19.427 7.201 20 HB3 SER 5 2HB SER 5 1.421 -19.185 6.087 21 HG SER 5 HG SER 5 1.696 -21.135 5.348 22 H SER 6 H SER 6 1.851 -17.440 3.642 23 HA SER 6 HA SER 6 2.306 -14.805 4.811 24 HB2 SER 6 1HB SER 6 2.504 -15.087 2.357 25 HB3 SER 6 2HB SER 6 0.808 -15.565 2.292 26 HG SER 6 HG SER 6 0.585 -13.476 1.980 27 H GLY 7 H GLY 7 -0.460 -16.819 3.804 28 HA2 GLY 7 1HA GLY 7 -2.168 -17.023 5.672 29 HA3 GLY 7 2HA GLY 7 -2.138 -15.266 5.671 30 H THR 8 H THR 8 -4.540 -16.139 5.368 31 HA THR 8 HA THR 8 -5.084 -16.241 2.474 32 HB THR 8 HB THR 8 -7.268 -17.216 3.036 33 HG1 THR 8 HG1 THR 8 -7.629 -17.848 5.233 34 HG21 THR 8 3HG2 THR 8 -5.335 -18.693 2.627 35 HG22 THR 8 1HG2 THR 8 -6.490 -19.406 3.752 36 HG23 THR 8 2HG2 THR 8 -4.991 -18.699 4.356 37 H GLY 9 H GLY 9 -6.847 -15.005 1.645 38 HA2 GLY 9 1HA GLY 9 -8.358 -13.245 1.594 39 HA3 GLY 9 2HA GLY 9 -8.151 -13.059 3.330 40 H GLU 10 H GLU 10 -7.166 -12.002 0.202 41 HA GLU 10 HA GLU 10 -5.218 -10.153 1.402 42 HB2 GLU 10 1HB GLU 10 -5.564 -11.025 -1.472 43 HB3 GLU 10 2HB GLU 10 -4.391 -9.838 -0.921 44 HG2 GLU 10 1HG GLU 10 -4.431 -12.595 0.234 45 HG3 GLU 10 2HG GLU 10 -3.632 -12.266 -1.302 46 H LYS 11 H LYS 11 -5.142 -7.958 0.454 47 HA LYS 11 HA LYS 11 -7.837 -7.019 -0.285 48 HB2 LYS 11 1HB LYS 11 -5.881 -6.001 1.713 49 HB3 LYS 11 2HB LYS 11 -6.821 -4.812 0.822 50 HG2 LYS 11 1HG LYS 11 -7.993 -5.241 2.823 51 HG3 LYS 11 2HG LYS 11 -8.882 -6.062 1.537 52 HD2 LYS 11 1HD LYS 11 -8.786 -7.598 3.325 53 HD3 LYS 11 2HD LYS 11 -7.576 -8.147 2.164 54 HE2 LYS 11 1HE LYS 11 -5.808 -7.472 3.493 55 HE3 LYS 11 2HE LYS 11 -6.784 -6.297 4.373 56 HZ1 LYS 11 3HZ LYS 11 -6.386 -9.114 4.882 57 HZ2 LYS 11 1HZ LYS 11 -7.993 -8.602 5.013 58 HZ3 LYS 11 2HZ LYS 11 -6.792 -7.867 5.950 59 HA PRO 12 HA PRO 12 -5.992 -5.342 -3.916 60 HB2 PRO 12 1HB PRO 12 -7.871 -3.476 -4.516 61 HB3 PRO 12 2HB PRO 12 -8.127 -5.208 -4.755 62 HG2 PRO 12 1HG PRO 12 -9.039 -3.450 -2.510 63 HG3 PRO 12 2HG PRO 12 -9.930 -4.719 -3.371 64 HD2 PRO 12 1HD PRO 12 -8.803 -5.122 -0.942 65 HD3 PRO 12 2HD PRO 12 -8.946 -6.411 -2.155 66 H TYR 13 H TYR 13 -6.212 -3.732 -1.001 67 HA TYR 13 HA TYR 13 -5.046 -1.253 -2.056 68 HB2 TYR 13 1HB TYR 13 -6.058 -1.845 0.733 69 HB3 TYR 13 2HB TYR 13 -5.524 -0.280 0.130 70 HD1 TYR 13 HD2 TYR 13 -8.063 -2.936 -0.506 71 HD2 TYR 13 HD1 TYR 13 -7.078 1.195 -0.774 72 HE1 TYR 13 HE2 TYR 13 -10.358 -2.442 -1.238 73 HE2 TYR 13 HE1 TYR 13 -9.371 1.700 -1.506 74 HH TYR 13 HH TYR 13 -11.911 -0.450 -1.207 75 H LYS 14 H LYS 14 -3.379 -3.412 -2.211 76 HA LYS 14 HA LYS 14 -1.614 -3.313 0.116 77 HB2 LYS 14 1HB LYS 14 -1.890 -5.525 -0.586 78 HB3 LYS 14 2HB LYS 14 -1.815 -5.096 -2.290 79 HG2 LYS 14 1HG LYS 14 0.524 -4.823 -2.223 80 HG3 LYS 14 2HG LYS 14 0.550 -4.835 -0.458 81 HD2 LYS 14 1HD LYS 14 -0.412 -7.213 -0.670 82 HD3 LYS 14 2HD LYS 14 0.112 -7.122 -2.353 83 HE2 LYS 14 1HE LYS 14 2.367 -6.955 -1.763 84 HE3 LYS 14 2HE LYS 14 1.993 -6.486 -0.105 85 HZ1 LYS 14 3HZ LYS 14 1.921 -8.602 0.527 86 HZ2 LYS 14 1HZ LYS 14 2.615 -8.998 -0.965 87 HZ3 LYS 14 2HZ LYS 14 0.936 -9.057 -0.770 88 H CYS 15 H CYS 15 0.123 -2.054 0.183 89 HA CYS 15 HA CYS 15 0.796 -0.299 -1.929 90 HB2 CYS 15 1HB CYS 15 1.188 0.244 0.440 91 HB3 CYS 15 2HB CYS 15 2.398 -1.031 0.531 92 H ASN 16 H ASN 16 2.541 -0.265 -3.327 93 HA ASN 16 HA ASN 16 3.754 -2.882 -3.831 94 HB2 ASN 16 1HB ASN 16 3.486 -0.412 -5.552 95 HB3 ASN 16 2HB ASN 16 4.400 -1.838 -6.035 96 HD21 ASN 16 1HD2 ASN 16 1.242 -0.534 -5.392 97 HD22 ASN 16 2HD2 ASN 16 0.344 -1.803 -6.145 98 H GLU 17 H GLU 17 4.514 0.325 -2.797 99 HA GLU 17 HA GLU 17 7.245 0.431 -3.410 100 HB2 GLU 17 1HB GLU 17 5.673 1.682 -1.157 101 HB3 GLU 17 2HB GLU 17 7.364 2.045 -1.474 102 HG2 GLU 17 1HG GLU 17 6.322 3.765 -2.562 103 HG3 GLU 17 2HG GLU 17 6.511 2.598 -3.869 104 H CYS 18 H CYS 18 5.626 -0.623 -0.418 105 HA CYS 18 HA CYS 18 8.118 -2.000 0.341 106 HB2 CYS 18 1HB CYS 18 7.241 -1.887 2.677 107 HB3 CYS 18 2HB CYS 18 7.558 -0.309 1.964 108 H GLY 19 H GLY 19 4.572 -2.261 0.431 109 HA2 GLY 19 1HA GLY 19 3.700 -4.405 -0.494 110 HA3 GLY 19 2HA GLY 19 4.904 -5.198 0.511 111 H LYS 20 H LYS 20 3.117 -2.426 1.641 112 HA LYS 20 HA LYS 20 2.074 -3.973 3.844 113 HB2 LYS 20 1HB LYS 20 2.945 -1.471 3.761 114 HB3 LYS 20 2HB LYS 20 1.264 -1.140 3.365 115 HG2 LYS 20 1HG LYS 20 0.503 -1.798 5.429 116 HG3 LYS 20 2HG LYS 20 1.893 -2.846 5.726 117 HD2 LYS 20 1HD LYS 20 3.272 -1.054 6.301 118 HD3 LYS 20 2HD LYS 20 2.220 0.128 5.518 119 HE2 LYS 20 1HE LYS 20 1.879 0.421 7.827 120 HE3 LYS 20 2HE LYS 20 0.481 -0.492 7.262 121 HZ1 LYS 20 3HZ LYS 20 2.419 -1.211 9.204 122 HZ2 LYS 20 1HZ LYS 20 2.364 -2.371 7.973 123 HZ3 LYS 20 2HZ LYS 20 0.957 -1.972 8.822 124 H VAL 21 H VAL 21 -0.251 -3.667 4.501 125 HA VAL 21 HA VAL 21 -2.036 -3.601 2.162 126 HB VAL 21 HB VAL 21 -2.156 -5.608 4.417 127 HG11 VAL 21 1HG1 VAL 21 -4.011 -5.039 2.123 128 HG12 VAL 21 2HG1 VAL 21 -3.988 -6.594 2.957 129 HG13 VAL 21 3HG1 VAL 21 -4.387 -5.122 3.843 130 HG21 VAL 21 3HG2 VAL 21 -1.636 -6.041 1.478 131 HG22 VAL 21 1HG2 VAL 21 -0.394 -6.031 2.731 132 HG23 VAL 21 2HG2 VAL 21 -1.649 -7.270 2.742 133 H PHE 22 H PHE 22 -4.194 -2.963 2.579 134 HA PHE 22 HA PHE 22 -4.872 -2.019 5.241 135 HB2 PHE 22 1HB PHE 22 -4.944 -0.096 2.913 136 HB3 PHE 22 2HB PHE 22 -5.276 0.258 4.605 137 HD1 PHE 22 HD2 PHE 22 -2.630 -0.579 2.183 138 HD2 PHE 22 HD1 PHE 22 -3.529 0.739 6.129 139 HE1 PHE 22 HE2 PHE 22 -0.270 0.036 2.512 140 HE2 PHE 22 HE1 PHE 22 -1.171 1.356 6.464 141 HZ PHE 22 HZ PHE 22 0.462 1.004 4.654 142 H THR 23 H THR 23 -7.139 -1.094 5.259 143 HA THR 23 HA THR 23 -8.816 -2.759 3.521 144 HB THR 23 HB THR 23 -9.525 -1.348 6.101 145 HG1 THR 23 HG1 THR 23 -8.565 -3.893 5.477 146 HG21 THR 23 3HG2 THR 23 -11.270 -3.502 5.259 147 HG22 THR 23 1HG2 THR 23 -11.220 -2.204 4.067 148 HG23 THR 23 2HG2 THR 23 -11.671 -1.852 5.736 149 H GLN 24 H GLN 24 -8.480 0.562 4.707 150 HA GLN 24 HA GLN 24 -10.430 1.442 2.695 151 HB2 GLN 24 1HB GLN 24 -10.802 2.102 5.076 152 HB3 GLN 24 2HB GLN 24 -9.297 3.010 5.015 153 HG2 GLN 24 1HG GLN 24 -11.242 4.450 4.721 154 HG3 GLN 24 2HG GLN 24 -10.202 4.455 3.297 155 HE21 GLN 24 1HE2 GLN 24 -11.447 4.695 1.585 156 HE22 GLN 24 2HE2 GLN 24 -12.901 3.823 1.256 157 H ASN 25 H ASN 25 -9.914 2.949 1.149 158 HA ASN 25 HA ASN 25 -7.383 2.984 0.064 159 HB2 ASN 25 1HB ASN 25 -9.343 3.681 -1.200 160 HB3 ASN 25 2HB ASN 25 -9.539 5.094 -0.166 161 HD21 ASN 25 1HD2 ASN 25 -7.794 6.676 -0.181 162 HD22 ASN 25 2HD2 ASN 25 -6.912 6.928 -1.645 163 H SER 26 H SER 26 -8.869 5.721 1.810 164 HA SER 26 HA SER 26 -6.814 7.455 1.972 165 HB2 SER 26 1HB SER 26 -7.685 8.160 4.195 166 HB3 SER 26 2HB SER 26 -8.964 7.930 3.003 167 HG SER 26 HG SER 26 -8.296 6.357 5.230 168 H HIS 27 H HIS 27 -7.324 4.854 4.360 169 HA HIS 27 HA HIS 27 -5.092 5.196 5.911 170 HB2 HIS 27 1HB HIS 27 -6.246 2.538 5.042 171 HB3 HIS 27 2HB HIS 27 -5.241 2.815 6.460 172 HD1 HIS 27 HD1 HIS 27 -8.066 1.610 6.718 173 HD2 HIS 27 HD2 HIS 27 -7.202 5.657 7.090 174 HE1 HIS 27 HE1 HIS 27 -9.944 2.576 8.083 175 H LEU 28 H LEU 28 -5.319 3.611 2.771 176 HA LEU 28 HA LEU 28 -2.599 2.703 2.783 177 HB2 LEU 28 1HB LEU 28 -3.960 1.400 1.447 178 HB3 LEU 28 2HB LEU 28 -4.811 2.792 0.781 179 HG LEU 28 HG LEU 28 -2.768 3.334 -0.534 180 HD11 LEU 28 1HD1 LEU 28 -1.413 0.953 -0.669 181 HD12 LEU 28 2HD1 LEU 28 -1.721 1.131 1.058 182 HD13 LEU 28 3HD1 LEU 28 -0.871 2.401 0.178 183 HD21 LEU 28 3HD2 LEU 28 -3.250 1.826 -2.251 184 HD22 LEU 28 1HD2 LEU 28 -4.744 1.901 -1.316 185 HD23 LEU 28 2HD2 LEU 28 -3.653 0.529 -1.125 186 H ALA 29 H ALA 29 -4.325 5.196 0.903 187 HA ALA 29 HA ALA 29 -2.210 6.294 -0.460 188 HB1 ALA 29 3HB ALA 29 -3.519 8.234 -0.767 189 HB2 ALA 29 1HB ALA 29 -4.661 6.897 -0.632 190 HB3 ALA 29 2HB ALA 29 -4.397 7.974 0.740 191 H ARG 30 H ARG 30 -3.378 7.270 2.763 192 HA ARG 30 HA ARG 30 -1.499 9.264 3.256 193 HB2 ARG 30 1HB ARG 30 -2.111 9.107 5.552 194 HB3 ARG 30 2HB ARG 30 -3.556 8.747 4.616 195 HG2 ARG 30 1HG ARG 30 -3.373 6.424 5.069 196 HG3 ARG 30 2HG ARG 30 -1.760 6.623 5.757 197 HD2 ARG 30 1HD ARG 30 -3.010 8.246 7.399 198 HD3 ARG 30 2HD ARG 30 -4.422 7.308 6.913 199 HE ARG 30 HE ARG 30 -3.616 5.523 8.111 200 HH11 ARG 30 1HH1 ARG 30 -1.116 7.922 7.771 201 HH12 ARG 30 2HH1 ARG 30 -0.041 7.149 8.889 202 HH21 ARG 30 1HH2 ARG 30 -2.210 4.496 9.585 203 HH22 ARG 30 2HH2 ARG 30 -0.664 5.200 9.919 204 H HIS 31 H HIS 31 -1.267 5.782 3.586 205 HA HIS 31 HA HIS 31 1.151 5.744 5.074 206 HB2 HIS 31 1HB HIS 31 0.097 3.710 5.225 207 HB3 HIS 31 2HB HIS 31 -0.458 3.752 3.554 208 HD1 HIS 31 HD1 HIS 31 2.642 3.014 5.583 209 HD2 HIS 31 HD2 HIS 31 1.119 2.392 1.768 210 HE1 HIS 31 HE1 HIS 31 4.255 1.443 4.463 211 H ARG 32 H ARG 32 0.462 5.310 1.609 212 HA ARG 32 HA ARG 32 2.991 4.849 0.655 213 HB2 ARG 32 1HB ARG 32 0.691 6.386 -0.533 214 HB3 ARG 32 2HB ARG 32 2.188 6.134 -1.419 215 HG2 ARG 32 1HG ARG 32 1.893 3.723 -1.261 216 HG3 ARG 32 2HG ARG 32 0.407 3.960 -0.340 217 HD2 ARG 32 1HD ARG 32 -0.185 3.513 -2.616 218 HD3 ARG 32 2HD ARG 32 -0.520 5.212 -2.281 219 HE ARG 32 HE ARG 32 2.076 4.782 -3.415 220 HH11 ARG 32 1HH1 ARG 32 -1.306 5.187 -4.132 221 HH12 ARG 32 2HH1 ARG 32 -1.029 5.779 -5.736 222 HH21 ARG 32 1HH2 ARG 32 2.454 5.560 -5.525 223 HH22 ARG 32 2HH2 ARG 32 1.111 5.990 -6.528 224 H GLY 33 H GLY 33 1.811 7.695 2.143 225 HA2 GLY 33 1HA GLY 33 3.399 9.676 0.970 226 HA3 GLY 33 2HA GLY 33 2.795 9.712 2.620 227 H ILE 34 H ILE 34 4.197 7.255 3.375 228 HA ILE 34 HA ILE 34 6.556 8.367 4.379 229 HB ILE 34 HB ILE 34 7.159 6.172 5.125 230 HG12 ILE 34 1HG1 ILE 34 5.014 5.067 3.302 231 HG13 ILE 34 2HG1 ILE 34 6.733 5.045 2.927 232 HG21 ILE 34 1HG2 ILE 34 4.790 5.378 5.934 233 HG22 ILE 34 2HG2 ILE 34 5.490 6.885 6.523 234 HG23 ILE 34 3HG2 ILE 34 4.279 6.917 5.242 235 HD11 ILE 34 3HD1 ILE 34 6.135 2.906 3.763 236 HD12 ILE 34 1HD1 ILE 34 7.085 3.717 5.008 237 HD13 ILE 34 2HD1 ILE 34 5.331 3.613 5.164 238 H HIS 35 H HIS 35 5.895 6.736 1.375 239 HA HIS 35 HA HIS 35 8.705 6.407 0.732 240 HB2 HIS 35 1HB HIS 35 6.308 5.966 -1.056 241 HB3 HIS 35 2HB HIS 35 7.944 5.365 -1.308 242 HD1 HIS 35 HD1 HIS 35 8.742 3.767 0.888 243 HD2 HIS 35 HD2 HIS 35 4.703 4.057 -0.041 244 HE1 HIS 35 HE1 HIS 35 7.661 1.763 1.956 245 H THR 36 H THR 36 5.980 8.425 -0.262 246 HA THR 36 HA THR 36 7.361 9.800 -2.324 247 HB THR 36 HB THR 36 5.524 11.388 -2.295 248 HG1 THR 36 HG1 THR 36 4.168 11.568 -0.612 249 HG21 THR 36 3HG2 THR 36 5.267 8.632 -2.688 250 HG22 THR 36 1HG2 THR 36 4.209 9.898 -3.310 251 HG23 THR 36 2HG2 THR 36 3.833 9.107 -1.779 252 H GLY 37 H GLY 37 8.927 11.257 -2.142 253 HA2 GLY 37 1HA GLY 37 9.691 13.387 -1.327 254 HA3 GLY 37 2HA GLY 37 8.951 13.013 0.222 255 H GLU 38 H GLU 38 9.955 10.371 0.496 256 HA GLU 38 HA GLU 38 12.632 11.014 1.389 257 HB2 GLU 38 1HB GLU 38 10.822 9.616 2.633 258 HB3 GLU 38 2HB GLU 38 11.380 8.297 1.613 259 HG2 GLU 38 1HG GLU 38 12.670 7.986 3.470 260 HG3 GLU 38 2HG GLU 38 13.734 8.995 2.493 261 H LYS 39 H LYS 39 14.518 9.904 0.798 262 HA LYS 39 HA LYS 39 14.382 8.670 -1.867 263 HB2 LYS 39 1HB LYS 39 15.764 10.774 -1.488 264 HB3 LYS 39 2HB LYS 39 16.847 9.776 -0.525 265 HG2 LYS 39 1HG LYS 39 17.312 8.377 -2.449 266 HG3 LYS 39 2HG LYS 39 16.173 9.309 -3.424 267 HD2 LYS 39 1HD LYS 39 18.133 10.326 -4.026 268 HD3 LYS 39 2HD LYS 39 17.690 11.323 -2.638 269 HE2 LYS 39 1HE LYS 39 19.326 8.893 -2.145 270 HE3 LYS 39 2HE LYS 39 20.112 10.274 -2.908 271 HZ1 LYS 39 3HZ LYS 39 19.415 11.653 -1.054 272 HZ2 LYS 39 1HZ LYS 39 20.330 10.340 -0.503 273 HZ3 LYS 39 2HZ LYS 39 18.649 10.333 -0.324 274 HA PRO 40 HA PRO 40 15.504 4.781 -0.112 275 HB2 PRO 40 1HB PRO 40 16.382 3.571 -2.378 276 HB3 PRO 40 2HB PRO 40 14.669 3.850 -2.039 277 HG2 PRO 40 1HG PRO 40 16.540 5.425 -3.766 278 HG3 PRO 40 2HG PRO 40 14.862 4.945 -4.082 279 HD2 PRO 40 1HD PRO 40 15.532 7.429 -3.240 280 HD3 PRO 40 2HD PRO 40 13.999 6.652 -2.796 281 H SER 41 H SER 41 17.274 4.051 0.898 282 HA SER 41 HA SER 41 19.811 5.323 0.417 283 HB2 SER 41 1HB SER 41 18.768 3.367 2.440 284 HB3 SER 41 2HB SER 41 20.505 3.623 2.282 285 HG SER 41 HG SER 41 20.305 5.602 3.055 286 H GLY 42 H GLY 42 19.147 3.992 -1.862 287 HA2 GLY 42 1HA GLY 42 20.847 1.578 -1.810 288 HA3 GLY 42 2HA GLY 42 19.550 1.852 -2.963 289 HA PRO 43 HA PRO 43 23.711 3.118 -4.754 290 HB2 PRO 43 1HB PRO 43 23.702 1.354 -6.817 291 HB3 PRO 43 2HB PRO 43 24.380 0.973 -5.230 292 HG2 PRO 43 1HG PRO 43 21.707 0.253 -6.370 293 HG3 PRO 43 2HG PRO 43 22.831 -0.749 -5.433 294 HD2 PRO 43 1HD PRO 43 20.654 0.422 -4.328 295 HD3 PRO 43 2HD PRO 43 22.158 0.154 -3.423 296 H SER 44 H SER 44 22.812 5.069 -5.421 297 HA SER 44 HA SER 44 20.759 5.296 -7.355 298 HB2 SER 44 1HB SER 44 21.325 7.669 -7.410 299 HB3 SER 44 2HB SER 44 21.324 7.092 -5.744 300 HG SER 44 HG SER 44 23.713 6.750 -6.254 301 H SER 45 H SER 45 20.807 5.416 -9.528 302 HA SER 45 HA SER 45 23.351 5.743 -10.914 303 HB2 SER 45 1HB SER 45 23.131 3.308 -10.593 304 HB3 SER 45 2HB SER 45 21.553 3.351 -11.379 305 HG SER 45 HG SER 45 22.722 2.986 -13.100 306 H GLY 46 H GLY 46 23.094 6.157 -13.215 307 HA2 GLY 46 1HA GLY 46 20.378 6.824 -14.083 308 HA3 GLY 46 2HA GLY 46 21.556 8.126 -14.023 Start of MODEL 9 1 H1 GLY 1 H GLY 1 9.925 -24.744 -4.610 2 HA2 GLY 1 1HA GLY 1 9.086 -26.237 -2.414 3 HA3 GLY 1 2HA GLY 1 10.417 -25.230 -1.865 4 H SER 2 H SER 2 7.453 -25.255 -1.300 5 HA SER 2 HA SER 2 6.955 -22.421 -1.937 6 HB2 SER 2 1HB SER 2 4.627 -22.847 -2.172 7 HB3 SER 2 2HB SER 2 5.439 -24.109 -3.098 8 HG SER 2 HG SER 2 4.919 -25.577 -1.591 9 H SER 3 H SER 3 6.259 -21.104 -0.306 10 HA SER 3 HA SER 3 5.571 -22.241 2.282 11 HB2 SER 3 1HB SER 3 7.263 -20.958 3.492 12 HB3 SER 3 2HB SER 3 8.037 -22.042 2.337 13 HG SER 3 HG SER 3 7.858 -20.024 0.915 14 H GLY 4 H GLY 4 4.805 -20.582 3.814 15 HA2 GLY 4 1HA GLY 4 4.285 -17.921 2.937 16 HA3 GLY 4 2HA GLY 4 2.864 -18.936 2.736 17 H SER 5 H SER 5 4.385 -16.852 4.788 18 HA SER 5 HA SER 5 3.210 -18.080 7.190 19 HB2 SER 5 1HB SER 5 5.503 -16.191 6.772 20 HB3 SER 5 2HB SER 5 4.659 -16.213 8.321 21 HG SER 5 HG SER 5 6.364 -17.665 8.399 22 H SER 6 H SER 6 1.480 -16.870 5.388 23 HA SER 6 HA SER 6 0.181 -14.977 7.074 24 HB2 SER 6 1HB SER 6 1.861 -13.478 6.071 25 HB3 SER 6 2HB SER 6 1.302 -13.933 4.461 26 HG SER 6 HG SER 6 0.079 -12.323 6.390 27 H GLY 7 H GLY 7 -1.966 -14.653 6.505 28 HA2 GLY 7 1HA GLY 7 -3.124 -15.146 4.014 29 HA3 GLY 7 2HA GLY 7 -3.155 -16.659 4.907 30 H THR 8 H THR 8 -3.569 -13.336 6.076 31 HA THR 8 HA THR 8 -6.128 -14.160 7.253 32 HB THR 8 HB THR 8 -4.440 -13.210 8.792 33 HG1 THR 8 HG1 THR 8 -6.491 -11.287 8.634 34 HG21 THR 8 3HG2 THR 8 -3.659 -11.562 6.905 35 HG22 THR 8 1HG2 THR 8 -3.555 -11.089 8.600 36 HG23 THR 8 2HG2 THR 8 -4.888 -10.507 7.602 37 H GLY 9 H GLY 9 -6.102 -13.655 4.488 38 HA2 GLY 9 1HA GLY 9 -7.671 -12.647 3.087 39 HA3 GLY 9 2HA GLY 9 -8.076 -11.531 4.383 40 H GLU 10 H GLU 10 -6.663 -11.790 1.401 41 HA GLU 10 HA GLU 10 -4.791 -9.581 1.817 42 HB2 GLU 10 1HB GLU 10 -5.307 -11.286 -0.627 43 HB3 GLU 10 2HB GLU 10 -4.080 -10.033 -0.506 44 HG2 GLU 10 1HG GLU 10 -2.744 -11.278 0.883 45 HG3 GLU 10 2HG GLU 10 -4.087 -12.254 1.476 46 H LYS 11 H LYS 11 -5.306 -7.552 1.347 47 HA LYS 11 HA LYS 11 -7.810 -7.033 -0.080 48 HB2 LYS 11 1HB LYS 11 -6.091 -5.342 1.729 49 HB3 LYS 11 2HB LYS 11 -7.413 -4.665 0.786 50 HG2 LYS 11 1HG LYS 11 -8.360 -5.052 2.867 51 HG3 LYS 11 2HG LYS 11 -8.869 -6.449 1.916 52 HD2 LYS 11 1HD LYS 11 -6.931 -7.706 2.866 53 HD3 LYS 11 2HD LYS 11 -6.621 -6.327 3.924 54 HE2 LYS 11 1HE LYS 11 -9.280 -7.728 3.830 55 HE3 LYS 11 2HE LYS 11 -7.977 -8.246 4.898 56 HZ1 LYS 11 3HZ LYS 11 -9.822 -6.456 5.582 57 HZ2 LYS 11 1HZ LYS 11 -8.624 -5.420 4.986 58 HZ3 LYS 11 2HZ LYS 11 -8.267 -6.489 6.246 59 HA PRO 12 HA PRO 12 -5.819 -5.580 -3.717 60 HB2 PRO 12 1HB PRO 12 -7.619 -3.729 -4.556 61 HB3 PRO 12 2HB PRO 12 -7.912 -5.469 -4.659 62 HG2 PRO 12 1HG PRO 12 -8.871 -3.504 -2.615 63 HG3 PRO 12 2HG PRO 12 -9.759 -4.821 -3.405 64 HD2 PRO 12 1HD PRO 12 -8.749 -5.041 -0.902 65 HD3 PRO 12 2HD PRO 12 -8.874 -6.425 -2.007 66 H TYR 13 H TYR 13 -6.236 -3.652 -0.984 67 HA TYR 13 HA TYR 13 -4.966 -1.304 -2.177 68 HB2 TYR 13 1HB TYR 13 -6.031 -1.725 0.624 69 HB3 TYR 13 2HB TYR 13 -5.429 -0.206 -0.030 70 HD1 TYR 13 HD2 TYR 13 -7.956 -2.833 -0.873 71 HD2 TYR 13 HD1 TYR 13 -6.993 1.310 -0.782 72 HE1 TYR 13 HE2 TYR 13 -10.215 -2.296 -1.685 73 HE2 TYR 13 HE1 TYR 13 -9.249 1.859 -1.592 74 HH TYR 13 HH TYR 13 -11.495 -0.639 -2.606 75 H LYS 14 H LYS 14 -3.207 -3.256 -2.320 76 HA LYS 14 HA LYS 14 -1.512 -3.185 0.065 77 HB2 LYS 14 1HB LYS 14 -1.688 -5.386 -0.699 78 HB3 LYS 14 2HB LYS 14 -1.597 -4.909 -2.390 79 HG2 LYS 14 1HG LYS 14 0.749 -4.448 -2.193 80 HG3 LYS 14 2HG LYS 14 0.698 -4.728 -0.451 81 HD2 LYS 14 1HD LYS 14 -0.240 -6.904 -2.247 82 HD3 LYS 14 2HD LYS 14 1.496 -6.602 -2.147 83 HE2 LYS 14 1HE LYS 14 1.435 -6.893 0.259 84 HE3 LYS 14 2HE LYS 14 -0.315 -7.097 0.214 85 HZ1 LYS 14 3HZ LYS 14 1.141 -8.900 -1.506 86 HZ2 LYS 14 1HZ LYS 14 -0.128 -9.215 -0.431 87 HZ3 LYS 14 2HZ LYS 14 1.459 -9.111 0.142 88 H CYS 15 H CYS 15 0.210 -1.906 0.203 89 HA CYS 15 HA CYS 15 0.841 0.011 -1.741 90 HB2 CYS 15 1HB CYS 15 1.363 0.298 0.641 91 HB3 CYS 15 2HB CYS 15 2.546 -1.002 0.544 92 H ASN 16 H ASN 16 2.201 0.045 -3.432 93 HA ASN 16 HA ASN 16 3.553 -2.449 -4.124 94 HB2 ASN 16 1HB ASN 16 2.756 -0.003 -5.682 95 HB3 ASN 16 2HB ASN 16 3.920 -1.152 -6.337 96 HD21 ASN 16 1HD2 ASN 16 0.626 -0.524 -5.612 97 HD22 ASN 16 2HD2 ASN 16 -0.030 -1.969 -6.295 98 H GLU 17 H GLU 17 4.528 -0.459 -2.091 99 HA GLU 17 HA GLU 17 7.150 0.106 -3.312 100 HB2 GLU 17 1HB GLU 17 5.840 1.545 -0.998 101 HB3 GLU 17 2HB GLU 17 7.402 1.932 -1.707 102 HG2 GLU 17 1HG GLU 17 5.023 1.921 -3.482 103 HG3 GLU 17 2HG GLU 17 5.216 3.255 -2.346 104 H CYS 18 H CYS 18 5.491 -0.893 -0.347 105 HA CYS 18 HA CYS 18 8.006 -2.146 0.546 106 HB2 CYS 18 1HB CYS 18 7.081 -1.963 2.855 107 HB3 CYS 18 2HB CYS 18 7.364 -0.404 2.088 108 H GLY 19 H GLY 19 4.492 -2.496 0.344 109 HA2 GLY 19 1HA GLY 19 3.684 -4.680 -0.450 110 HA3 GLY 19 2HA GLY 19 4.873 -5.415 0.615 111 H LYS 20 H LYS 20 3.212 -2.654 1.808 112 HA LYS 20 HA LYS 20 2.016 -4.214 3.906 113 HB2 LYS 20 1HB LYS 20 3.002 -1.757 3.926 114 HB3 LYS 20 2HB LYS 20 1.351 -1.332 3.493 115 HG2 LYS 20 1HG LYS 20 0.488 -2.136 5.504 116 HG3 LYS 20 2HG LYS 20 1.937 -3.083 5.851 117 HD2 LYS 20 1HD LYS 20 3.188 -1.155 6.390 118 HD3 LYS 20 2HD LYS 20 1.979 -0.080 5.684 119 HE2 LYS 20 1HE LYS 20 1.475 0.162 7.900 120 HE3 LYS 20 2HE LYS 20 0.427 -1.198 7.500 121 HZ1 LYS 20 3HZ LYS 20 2.090 -1.221 9.553 122 HZ2 LYS 20 1HZ LYS 20 3.128 -1.848 8.373 123 HZ3 LYS 20 2HZ LYS 20 1.664 -2.625 8.711 124 H VAL 21 H VAL 21 -0.286 -3.959 4.506 125 HA VAL 21 HA VAL 21 -2.029 -3.670 2.149 126 HB VAL 21 HB VAL 21 -2.250 -5.800 4.281 127 HG11 VAL 21 1HG1 VAL 21 -4.140 -4.775 2.266 128 HG12 VAL 21 2HG1 VAL 21 -4.008 -6.531 2.377 129 HG13 VAL 21 3HG1 VAL 21 -4.445 -5.586 3.801 130 HG21 VAL 21 3HG2 VAL 21 -0.511 -6.378 2.753 131 HG22 VAL 21 1HG2 VAL 21 -1.930 -7.334 2.325 132 HG23 VAL 21 2HG2 VAL 21 -1.499 -5.919 1.365 133 H PHE 22 H PHE 22 -4.114 -2.886 2.527 134 HA PHE 22 HA PHE 22 -4.759 -2.029 5.250 135 HB2 PHE 22 1HB PHE 22 -4.902 -0.158 2.879 136 HB3 PHE 22 2HB PHE 22 -5.274 0.231 4.555 137 HD1 PHE 22 HD2 PHE 22 -2.587 -0.498 2.164 138 HD2 PHE 22 HD1 PHE 22 -3.545 0.700 6.134 139 HE1 PHE 22 HE2 PHE 22 -0.251 0.189 2.517 140 HE2 PHE 22 HE1 PHE 22 -1.210 1.390 6.493 141 HZ PHE 22 HZ PHE 22 0.440 1.133 4.683 142 H THR 23 H THR 23 -7.046 -0.839 5.083 143 HA THR 23 HA THR 23 -8.769 -2.646 3.516 144 HB THR 23 HB THR 23 -9.508 -1.202 6.067 145 HG1 THR 23 HG1 THR 23 -9.437 -3.594 6.746 146 HG21 THR 23 3HG2 THR 23 -11.495 -2.471 6.052 147 HG22 THR 23 1HG2 THR 23 -10.895 -3.548 4.791 148 HG23 THR 23 2HG2 THR 23 -11.317 -1.881 4.400 149 H GLN 24 H GLN 24 -8.342 0.677 4.641 150 HA GLN 24 HA GLN 24 -10.361 1.549 2.686 151 HB2 GLN 24 1HB GLN 24 -10.658 2.154 5.131 152 HB3 GLN 24 2HB GLN 24 -9.242 3.183 4.962 153 HG2 GLN 24 1HG GLN 24 -11.043 4.627 4.688 154 HG3 GLN 24 2HG GLN 24 -10.494 4.301 3.045 155 HE21 GLN 24 1HE2 GLN 24 -13.040 5.262 3.677 156 HE22 GLN 24 2HE2 GLN 24 -14.202 4.059 3.247 157 H ASN 25 H ASN 25 -9.858 3.028 1.125 158 HA ASN 25 HA ASN 25 -7.350 3.129 0.032 159 HB2 ASN 25 1HB ASN 25 -9.128 3.862 -1.328 160 HB3 ASN 25 2HB ASN 25 -9.660 5.051 -0.143 161 HD21 ASN 25 1HD2 ASN 25 -9.542 6.861 -1.336 162 HD22 ASN 25 2HD2 ASN 25 -8.087 7.480 -2.033 163 H SER 26 H SER 26 -8.811 5.574 2.168 164 HA SER 26 HA SER 26 -6.781 7.419 2.258 165 HB2 SER 26 1HB SER 26 -8.646 6.501 4.452 166 HB3 SER 26 2HB SER 26 -7.572 7.889 4.621 167 HG SER 26 HG SER 26 -9.947 7.935 3.626 168 H HIS 27 H HIS 27 -7.153 4.602 4.409 169 HA HIS 27 HA HIS 27 -4.882 4.915 5.943 170 HB2 HIS 27 1HB HIS 27 -5.940 2.261 4.956 171 HB3 HIS 27 2HB HIS 27 -5.015 2.554 6.425 172 HD1 HIS 27 HD1 HIS 27 -7.732 1.178 6.606 173 HD2 HIS 27 HD2 HIS 27 -7.202 5.284 6.951 174 HE1 HIS 27 HE1 HIS 27 -9.731 2.009 7.887 175 H LEU 28 H LEU 28 -5.197 3.554 2.711 176 HA LEU 28 HA LEU 28 -2.456 2.696 2.582 177 HB2 LEU 28 1HB LEU 28 -3.883 1.428 1.257 178 HB3 LEU 28 2HB LEU 28 -4.727 2.847 0.640 179 HG LEU 28 HG LEU 28 -2.864 3.384 -0.797 180 HD11 LEU 28 1HD1 LEU 28 -1.332 0.950 -0.378 181 HD12 LEU 28 2HD1 LEU 28 -1.334 2.010 1.031 182 HD13 LEU 28 3HD1 LEU 28 -0.788 2.620 -0.531 183 HD21 LEU 28 3HD2 LEU 28 -3.636 0.473 -0.962 184 HD22 LEU 28 1HD2 LEU 28 -2.892 1.406 -2.261 185 HD23 LEU 28 2HD2 LEU 28 -4.501 1.834 -1.679 186 H ALA 29 H ALA 29 -4.219 5.006 0.514 187 HA ALA 29 HA ALA 29 -2.165 6.275 -0.698 188 HB1 ALA 29 3HB ALA 29 -4.828 6.749 -0.514 189 HB2 ALA 29 1HB ALA 29 -4.174 8.164 0.310 190 HB3 ALA 29 2HB ALA 29 -3.682 7.800 -1.345 191 H ARG 30 H ARG 30 -3.433 7.110 2.521 192 HA ARG 30 HA ARG 30 -1.682 9.232 3.045 193 HB2 ARG 30 1HB ARG 30 -2.462 9.167 5.241 194 HB3 ARG 30 2HB ARG 30 -3.790 8.462 4.329 195 HG2 ARG 30 1HG ARG 30 -3.033 6.225 4.948 196 HG3 ARG 30 2HG ARG 30 -1.694 6.930 5.856 197 HD2 ARG 30 1HD ARG 30 -4.628 7.369 6.406 198 HD3 ARG 30 2HD ARG 30 -3.558 6.306 7.319 199 HE ARG 30 HE ARG 30 -3.709 9.182 7.482 200 HH11 ARG 30 1HH1 ARG 30 -1.788 6.346 8.104 201 HH12 ARG 30 2HH1 ARG 30 -0.831 7.104 9.333 202 HH21 ARG 30 1HH2 ARG 30 -2.456 10.191 9.099 203 HH22 ARG 30 2HH2 ARG 30 -1.212 9.291 9.899 204 H HIS 31 H HIS 31 -1.344 5.760 3.536 205 HA HIS 31 HA HIS 31 1.039 5.849 5.051 206 HB2 HIS 31 1HB HIS 31 0.038 3.781 5.198 207 HB3 HIS 31 2HB HIS 31 -0.418 3.762 3.497 208 HD1 HIS 31 HD1 HIS 31 2.585 3.207 5.721 209 HD2 HIS 31 HD2 HIS 31 1.318 2.432 1.841 210 HE1 HIS 31 HE1 HIS 31 4.328 1.684 4.737 211 H ARG 32 H ARG 32 0.463 5.396 1.572 212 HA ARG 32 HA ARG 32 3.014 4.977 0.672 213 HB2 ARG 32 1HB ARG 32 0.750 6.545 -0.551 214 HB3 ARG 32 2HB ARG 32 2.264 6.272 -1.403 215 HG2 ARG 32 1HG ARG 32 1.860 4.040 -1.695 216 HG3 ARG 32 2HG ARG 32 0.830 3.929 -0.266 217 HD2 ARG 32 1HD ARG 32 -1.025 4.697 -1.376 218 HD3 ARG 32 2HD ARG 32 -0.076 5.610 -2.549 219 HE ARG 32 HE ARG 32 -0.895 2.857 -2.741 220 HH11 ARG 32 1HH1 ARG 32 1.380 5.264 -3.814 221 HH12 ARG 32 2HH1 ARG 32 1.760 4.436 -5.288 222 HH21 ARG 32 1HH2 ARG 32 -0.403 1.757 -4.679 223 HH22 ARG 32 2HH2 ARG 32 0.744 2.442 -5.779 224 H GLY 33 H GLY 33 1.742 7.829 2.113 225 HA2 GLY 33 1HA GLY 33 3.348 9.828 1.040 226 HA3 GLY 33 2HA GLY 33 2.725 9.823 2.683 227 H ILE 34 H ILE 34 4.154 7.335 3.356 228 HA ILE 34 HA ILE 34 6.515 8.481 4.380 229 HB ILE 34 HB ILE 34 7.092 6.294 5.181 230 HG12 ILE 34 1HG1 ILE 34 4.993 5.271 3.258 231 HG13 ILE 34 2HG1 ILE 34 6.729 5.003 3.152 232 HG21 ILE 34 1HG2 ILE 34 4.801 5.580 6.127 233 HG22 ILE 34 2HG2 ILE 34 5.419 7.182 6.524 234 HG23 ILE 34 3HG2 ILE 34 4.184 6.997 5.278 235 HD11 ILE 34 3HD1 ILE 34 6.481 3.879 5.446 236 HD12 ILE 34 1HD1 ILE 34 4.758 3.835 5.071 237 HD13 ILE 34 2HD1 ILE 34 5.912 3.017 4.017 238 H HIS 35 H HIS 35 5.843 6.651 1.472 239 HA HIS 35 HA HIS 35 8.650 6.345 0.820 240 HB2 HIS 35 1HB HIS 35 6.232 5.745 -0.894 241 HB3 HIS 35 2HB HIS 35 7.880 5.183 -1.161 242 HD1 HIS 35 HD1 HIS 35 8.791 3.713 1.069 243 HD2 HIS 35 HD2 HIS 35 4.714 3.861 0.287 244 HE1 HIS 35 HE1 HIS 35 7.804 1.741 2.277 245 H THR 36 H THR 36 5.918 8.337 -0.145 246 HA THR 36 HA THR 36 7.419 9.645 -2.247 247 HB THR 36 HB THR 36 5.417 11.024 -2.567 248 HG1 THR 36 HG1 THR 36 4.830 11.011 -0.272 249 HG21 THR 36 3HG2 THR 36 5.499 8.846 -3.660 250 HG22 THR 36 1HG2 THR 36 3.847 9.232 -3.180 251 HG23 THR 36 2HG2 THR 36 4.795 8.086 -2.232 252 H GLY 37 H GLY 37 9.162 10.451 -0.916 253 HA2 GLY 37 1HA GLY 37 8.503 13.070 0.199 254 HA3 GLY 37 2HA GLY 37 9.289 11.925 1.277 255 H GLU 38 H GLU 38 11.459 11.594 1.126 256 HA GLU 38 HA GLU 38 12.940 13.509 -0.453 257 HB2 GLU 38 1HB GLU 38 13.405 12.726 1.990 258 HB3 GLU 38 2HB GLU 38 14.207 11.365 1.218 259 HG2 GLU 38 1HG GLU 38 15.684 13.287 1.869 260 HG3 GLU 38 2HG GLU 38 15.806 12.755 0.193 261 H LYS 39 H LYS 39 12.478 12.712 -2.565 262 HA LYS 39 HA LYS 39 13.778 10.162 -3.242 263 HB2 LYS 39 1HB LYS 39 11.680 9.922 -4.124 264 HB3 LYS 39 2HB LYS 39 11.460 11.652 -4.352 265 HG2 LYS 39 1HG LYS 39 12.701 11.647 -6.356 266 HG3 LYS 39 2HG LYS 39 13.329 10.026 -6.050 267 HD2 LYS 39 1HD LYS 39 10.386 10.534 -6.356 268 HD3 LYS 39 2HD LYS 39 11.427 10.287 -7.760 269 HE2 LYS 39 1HE LYS 39 12.099 8.117 -6.915 270 HE3 LYS 39 2HE LYS 39 11.157 8.370 -5.446 271 HZ1 LYS 39 3HZ LYS 39 10.207 7.843 -8.183 272 HZ2 LYS 39 1HZ LYS 39 9.205 8.644 -7.080 273 HZ3 LYS 39 2HZ LYS 39 9.765 7.086 -6.736 274 HA PRO 40 HA PRO 40 17.039 12.391 -5.210 275 HB2 PRO 40 1HB PRO 40 18.015 10.371 -6.738 276 HB3 PRO 40 2HB PRO 40 18.272 10.465 -4.992 277 HG2 PRO 40 1HG PRO 40 16.270 8.854 -6.527 278 HG3 PRO 40 2HG PRO 40 17.266 8.374 -5.141 279 HD2 PRO 40 1HD PRO 40 14.661 9.069 -4.891 280 HD3 PRO 40 2HD PRO 40 15.859 9.383 -3.619 281 H SER 41 H SER 41 17.972 12.496 -7.570 282 HA SER 41 HA SER 41 16.188 13.789 -9.196 283 HB2 SER 41 1HB SER 41 18.578 12.191 -10.145 284 HB3 SER 41 2HB SER 41 17.800 13.516 -11.010 285 HG SER 41 HG SER 41 19.404 14.526 -9.994 286 H GLY 42 H GLY 42 17.343 10.455 -9.761 287 HA2 GLY 42 1HA GLY 42 16.430 8.780 -11.066 288 HA3 GLY 42 2HA GLY 42 14.998 9.142 -10.113 289 HA PRO 43 HA PRO 43 13.844 9.759 -14.528 290 HB2 PRO 43 1HB PRO 43 11.371 8.672 -14.258 291 HB3 PRO 43 2HB PRO 43 12.817 7.704 -14.572 292 HG2 PRO 43 1HG PRO 43 11.401 8.211 -11.983 293 HG3 PRO 43 2HG PRO 43 12.070 6.695 -12.615 294 HD2 PRO 43 1HD PRO 43 13.360 8.199 -10.769 295 HD3 PRO 43 2HD PRO 43 14.221 7.235 -11.987 296 H SER 44 H SER 44 12.126 11.063 -15.438 297 HA SER 44 HA SER 44 11.530 13.340 -13.849 298 HB2 SER 44 1HB SER 44 10.612 12.490 -16.600 299 HB3 SER 44 2HB SER 44 10.165 14.031 -15.867 300 HG SER 44 HG SER 44 11.972 14.475 -17.001 301 H SER 45 H SER 45 10.305 12.664 -12.086 302 HA SER 45 HA SER 45 8.092 11.034 -12.048 303 HB2 SER 45 1HB SER 45 7.415 12.205 -10.002 304 HB3 SER 45 2HB SER 45 9.160 11.949 -10.022 305 HG SER 45 HG SER 45 8.511 14.096 -9.396 306 H GLY 46 H GLY 46 6.145 11.117 -12.948 307 HA2 GLY 46 1HA GLY 46 5.314 13.446 -14.419 308 HA3 GLY 46 2HA GLY 46 4.438 11.929 -14.283 Start of MODEL 10 1 H1 GLY 1 H GLY 1 9.989 -28.637 8.733 2 HA2 GLY 1 1HA GLY 1 9.971 -27.062 6.525 3 HA3 GLY 1 2HA GLY 1 8.903 -28.382 6.072 4 H SER 2 H SER 2 8.208 -25.604 6.364 5 HA SER 2 HA SER 2 6.403 -25.726 8.688 6 HB2 SER 2 1HB SER 2 7.520 -23.340 7.201 7 HB3 SER 2 2HB SER 2 6.280 -23.229 8.449 8 HG SER 2 HG SER 2 7.720 -23.818 9.959 9 H SER 3 H SER 3 4.399 -24.218 8.254 10 HA SER 3 HA SER 3 3.348 -24.800 5.567 11 HB2 SER 3 1HB SER 3 1.301 -25.598 6.424 12 HB3 SER 3 2HB SER 3 2.522 -26.362 7.441 13 HG SER 3 HG SER 3 0.529 -24.717 8.154 14 H GLY 4 H GLY 4 1.188 -23.553 5.252 15 HA2 GLY 4 1HA GLY 4 1.790 -20.761 5.829 16 HA3 GLY 4 2HA GLY 4 0.588 -21.356 4.693 17 H SER 5 H SER 5 0.839 -19.602 7.360 18 HA SER 5 HA SER 5 -1.060 -20.718 9.131 19 HB2 SER 5 1HB SER 5 0.631 -18.859 9.612 20 HB3 SER 5 2HB SER 5 -0.512 -17.765 8.833 21 HG SER 5 HG SER 5 -1.440 -19.473 10.848 22 H SER 6 H SER 6 -1.407 -17.950 6.904 23 HA SER 6 HA SER 6 -4.007 -18.823 6.059 24 HB2 SER 6 1HB SER 6 -3.741 -16.445 7.902 25 HB3 SER 6 2HB SER 6 -5.136 -16.688 6.852 26 HG SER 6 HG SER 6 -5.739 -17.674 8.674 27 H GLY 7 H GLY 7 -5.065 -16.939 4.722 28 HA2 GLY 7 1HA GLY 7 -3.597 -14.857 3.636 29 HA3 GLY 7 2HA GLY 7 -3.199 -16.276 2.679 30 H THR 8 H THR 8 -6.272 -15.286 4.161 31 HA THR 8 HA THR 8 -7.576 -15.676 1.576 32 HB THR 8 HB THR 8 -8.580 -16.776 3.531 33 HG1 THR 8 HG1 THR 8 -9.872 -15.842 1.729 34 HG21 THR 8 3HG2 THR 8 -7.932 -14.516 4.911 35 HG22 THR 8 1HG2 THR 8 -9.062 -15.746 5.475 36 HG23 THR 8 2HG2 THR 8 -9.665 -14.297 4.670 37 H GLY 9 H GLY 9 -6.692 -13.164 3.804 38 HA2 GLY 9 1HA GLY 9 -8.492 -11.170 2.868 39 HA3 GLY 9 2HA GLY 9 -7.021 -10.887 3.787 40 H GLU 10 H GLU 10 -5.145 -10.326 2.737 41 HA GLU 10 HA GLU 10 -3.853 -9.414 1.102 42 HB2 GLU 10 1HB GLU 10 -4.435 -11.836 0.199 43 HB3 GLU 10 2HB GLU 10 -5.314 -10.922 -1.018 44 HG2 GLU 10 1HG GLU 10 -3.098 -9.615 -1.286 45 HG3 GLU 10 2HG GLU 10 -2.380 -11.005 -0.473 46 H LYS 11 H LYS 11 -6.002 -7.879 1.850 47 HA LYS 11 HA LYS 11 -7.845 -6.963 0.114 48 HB2 LYS 11 1HB LYS 11 -6.103 -5.586 2.095 49 HB3 LYS 11 2HB LYS 11 -7.028 -4.576 0.993 50 HG2 LYS 11 1HG LYS 11 -8.386 -4.784 2.873 51 HG3 LYS 11 2HG LYS 11 -9.058 -5.941 1.722 52 HD2 LYS 11 1HD LYS 11 -7.976 -7.769 2.841 53 HD3 LYS 11 2HD LYS 11 -7.095 -6.662 3.896 54 HE2 LYS 11 1HE LYS 11 -9.456 -5.856 4.600 55 HE3 LYS 11 2HE LYS 11 -10.003 -7.381 3.905 56 HZ1 LYS 11 3HZ LYS 11 -9.637 -7.932 6.094 57 HZ2 LYS 11 1HZ LYS 11 -8.286 -6.925 6.251 58 HZ3 LYS 11 2HZ LYS 11 -8.163 -8.378 5.394 59 HA PRO 12 HA PRO 12 -5.845 -5.611 -3.566 60 HB2 PRO 12 1HB PRO 12 -7.726 -3.877 -4.474 61 HB3 PRO 12 2HB PRO 12 -7.931 -5.631 -4.530 62 HG2 PRO 12 1HG PRO 12 -9.008 -3.661 -2.550 63 HG3 PRO 12 2HG PRO 12 -9.821 -5.042 -3.310 64 HD2 PRO 12 1HD PRO 12 -8.827 -5.142 -0.794 65 HD3 PRO 12 2HD PRO 12 -8.871 -6.561 -1.860 66 H TYR 13 H TYR 13 -6.192 -3.735 -0.854 67 HA TYR 13 HA TYR 13 -5.123 -1.309 -2.106 68 HB2 TYR 13 1HB TYR 13 -6.123 -1.768 0.712 69 HB3 TYR 13 2HB TYR 13 -5.576 -0.226 0.062 70 HD1 TYR 13 HD2 TYR 13 -8.036 -2.925 -0.749 71 HD2 TYR 13 HD1 TYR 13 -7.186 1.243 -0.688 72 HE1 TYR 13 HE2 TYR 13 -10.318 -2.454 -1.535 73 HE2 TYR 13 HE1 TYR 13 -9.466 1.726 -1.473 74 HH TYR 13 HH TYR 13 -11.273 0.577 -2.700 75 H LYS 14 H LYS 14 -3.336 -3.336 -2.176 76 HA LYS 14 HA LYS 14 -1.584 -3.139 0.138 77 HB2 LYS 14 1HB LYS 14 -1.630 -5.327 -0.657 78 HB3 LYS 14 2HB LYS 14 -1.638 -4.821 -2.341 79 HG2 LYS 14 1HG LYS 14 0.693 -4.175 -2.188 80 HG3 LYS 14 2HG LYS 14 0.714 -4.594 -0.473 81 HD2 LYS 14 1HD LYS 14 -0.121 -6.651 -2.468 82 HD3 LYS 14 2HD LYS 14 1.595 -6.285 -2.274 83 HE2 LYS 14 1HE LYS 14 1.397 -7.937 -0.718 84 HE3 LYS 14 2HE LYS 14 0.978 -6.552 0.289 85 HZ1 LYS 14 3HZ LYS 14 -1.065 -8.155 -1.135 86 HZ2 LYS 14 1HZ LYS 14 -1.298 -7.050 0.125 87 HZ3 LYS 14 2HZ LYS 14 -0.544 -8.533 0.430 88 H CYS 15 H CYS 15 0.509 -2.308 0.094 89 HA CYS 15 HA CYS 15 0.928 -0.236 -1.911 90 HB2 CYS 15 1HB CYS 15 1.155 0.347 0.470 91 HB3 CYS 15 2HB CYS 15 2.450 -0.835 0.635 92 H ASN 16 H ASN 16 2.111 -0.633 -3.649 93 HA ASN 16 HA ASN 16 3.695 -2.974 -3.939 94 HB2 ASN 16 1HB ASN 16 2.483 -1.639 -5.770 95 HB3 ASN 16 2HB ASN 16 3.868 -0.552 -5.723 96 HD21 ASN 16 1HD2 ASN 16 2.620 -3.478 -6.890 97 HD22 ASN 16 2HD2 ASN 16 4.049 -4.052 -7.675 98 H GLU 17 H GLU 17 4.369 0.318 -3.013 99 HA GLU 17 HA GLU 17 7.100 0.469 -3.481 100 HB2 GLU 17 1HB GLU 17 5.657 1.613 -1.086 101 HB3 GLU 17 2HB GLU 17 7.169 2.185 -1.776 102 HG2 GLU 17 1HG GLU 17 4.568 2.179 -3.280 103 HG3 GLU 17 2HG GLU 17 5.137 3.546 -2.323 104 H CYS 18 H CYS 18 5.454 -0.611 -0.510 105 HA CYS 18 HA CYS 18 7.958 -1.939 0.291 106 HB2 CYS 18 1HB CYS 18 6.978 -1.892 2.603 107 HB3 CYS 18 2HB CYS 18 7.327 -0.304 1.927 108 H GLY 19 H GLY 19 4.417 -2.316 0.382 109 HA2 GLY 19 1HA GLY 19 3.630 -4.475 -0.617 110 HA3 GLY 19 2HA GLY 19 4.844 -5.241 0.397 111 H LYS 20 H LYS 20 3.197 -2.556 1.754 112 HA LYS 20 HA LYS 20 2.050 -4.211 3.800 113 HB2 LYS 20 1HB LYS 20 2.991 -1.734 3.883 114 HB3 LYS 20 2HB LYS 20 1.320 -1.332 3.511 115 HG2 LYS 20 1HG LYS 20 0.543 -2.077 5.531 116 HG3 LYS 20 2HG LYS 20 1.873 -3.218 5.745 117 HD2 LYS 20 1HD LYS 20 3.400 -1.405 6.227 118 HD3 LYS 20 2HD LYS 20 2.139 -0.215 5.894 119 HE2 LYS 20 1HE LYS 20 1.980 -0.297 8.166 120 HE3 LYS 20 2HE LYS 20 0.859 -1.593 7.756 121 HZ1 LYS 20 3HZ LYS 20 2.249 -3.169 8.541 122 HZ2 LYS 20 1HZ LYS 20 2.830 -1.893 9.489 123 HZ3 LYS 20 2HZ LYS 20 3.653 -2.343 8.081 124 H VAL 21 H VAL 21 -0.293 -3.695 4.491 125 HA VAL 21 HA VAL 21 -2.044 -3.554 2.131 126 HB VAL 21 HB VAL 21 -2.212 -5.578 4.365 127 HG11 VAL 21 1HG1 VAL 21 -4.221 -6.406 3.099 128 HG12 VAL 21 2HG1 VAL 21 -4.443 -4.872 3.942 129 HG13 VAL 21 3HG1 VAL 21 -4.186 -4.891 2.197 130 HG21 VAL 21 3HG2 VAL 21 -0.713 -6.439 2.821 131 HG22 VAL 21 1HG2 VAL 21 -2.249 -7.106 2.268 132 HG23 VAL 21 2HG2 VAL 21 -1.548 -5.710 1.450 133 H PHE 22 H PHE 22 -4.241 -2.928 2.590 134 HA PHE 22 HA PHE 22 -4.824 -1.859 5.224 135 HB2 PHE 22 1HB PHE 22 -4.777 -0.059 2.792 136 HB3 PHE 22 2HB PHE 22 -5.307 0.400 4.407 137 HD1 PHE 22 HD1 PHE 22 -3.671 0.587 6.239 138 HD2 PHE 22 HD2 PHE 22 -2.473 -0.150 2.222 139 HE1 PHE 22 HE1 PHE 22 -1.371 1.251 6.807 140 HE2 PHE 22 HE2 PHE 22 -0.171 0.511 2.784 141 HZ PHE 22 HZ PHE 22 0.383 1.212 5.079 142 H THR 23 H THR 23 -7.057 -1.193 5.458 143 HA THR 23 HA THR 23 -8.805 -2.548 3.514 144 HB THR 23 HB THR 23 -9.493 -1.902 6.382 145 HG1 THR 23 HG1 THR 23 -9.091 -4.243 6.627 146 HG21 THR 23 3HG2 THR 23 -11.509 -2.732 5.913 147 HG22 THR 23 1HG2 THR 23 -10.803 -4.181 5.200 148 HG23 THR 23 2HG2 THR 23 -11.048 -2.742 4.211 149 H GLN 24 H GLN 24 -7.786 0.273 3.483 150 HA GLN 24 HA GLN 24 -10.206 1.519 2.678 151 HB2 GLN 24 1HB GLN 24 -10.030 3.429 4.345 152 HB3 GLN 24 2HB GLN 24 -10.672 1.912 4.960 153 HG2 GLN 24 1HG GLN 24 -8.130 1.512 5.574 154 HG3 GLN 24 2HG GLN 24 -8.111 3.275 5.560 155 HE21 GLN 24 1HE2 GLN 24 -9.041 0.459 7.245 156 HE22 GLN 24 2HE2 GLN 24 -9.776 1.234 8.603 157 H ASN 25 H ASN 25 -9.571 2.605 0.947 158 HA ASN 25 HA ASN 25 -7.131 3.118 -0.005 159 HB2 ASN 25 1HB ASN 25 -8.073 5.165 -1.135 160 HB3 ASN 25 2HB ASN 25 -9.044 3.707 -1.319 161 HD21 ASN 25 1HD2 ASN 25 -11.005 3.537 -0.225 162 HD22 ASN 25 2HD2 ASN 25 -11.807 4.921 0.428 163 H SER 26 H SER 26 -8.871 5.469 2.037 164 HA SER 26 HA SER 26 -7.045 7.457 2.267 165 HB2 SER 26 1HB SER 26 -9.238 7.464 3.401 166 HB3 SER 26 2HB SER 26 -8.629 6.294 4.573 167 HG SER 26 HG SER 26 -7.873 7.926 5.637 168 H HIS 27 H HIS 27 -7.086 4.521 4.283 169 HA HIS 27 HA HIS 27 -4.787 5.086 5.770 170 HB2 HIS 27 1HB HIS 27 -6.256 2.575 5.069 171 HB3 HIS 27 2HB HIS 27 -4.692 2.458 5.869 172 HD1 HIS 27 HD1 HIS 27 -5.878 1.458 7.967 173 HD2 HIS 27 HD2 HIS 27 -7.015 5.340 7.018 174 HE1 HIS 27 HE1 HIS 27 -7.094 2.317 9.994 175 H LEU 28 H LEU 28 -5.184 3.479 2.652 176 HA LEU 28 HA LEU 28 -2.459 2.705 2.387 177 HB2 LEU 28 1HB LEU 28 -3.989 1.494 1.096 178 HB3 LEU 28 2HB LEU 28 -4.760 2.955 0.482 179 HG LEU 28 HG LEU 28 -2.824 3.408 -0.924 180 HD11 LEU 28 1HD1 LEU 28 -1.568 0.797 -0.532 181 HD12 LEU 28 2HD1 LEU 28 -1.417 1.884 0.848 182 HD13 LEU 28 3HD1 LEU 28 -0.841 2.390 -0.740 183 HD21 LEU 28 3HD2 LEU 28 -3.906 2.201 -2.438 184 HD22 LEU 28 1HD2 LEU 28 -4.595 1.183 -1.174 185 HD23 LEU 28 2HD2 LEU 28 -3.038 0.766 -1.890 186 H ALA 29 H ALA 29 -4.289 5.143 0.530 187 HA ALA 29 HA ALA 29 -2.247 6.398 -0.757 188 HB1 ALA 29 3HB ALA 29 -4.167 7.366 -1.416 189 HB2 ALA 29 1HB ALA 29 -4.907 7.228 0.179 190 HB3 ALA 29 2HB ALA 29 -3.783 8.545 -0.162 191 H ARG 30 H ARG 30 -3.467 7.319 2.467 192 HA ARG 30 HA ARG 30 -1.598 9.327 2.981 193 HB2 ARG 30 1HB ARG 30 -2.340 9.284 5.205 194 HB3 ARG 30 2HB ARG 30 -3.727 8.723 4.280 195 HG2 ARG 30 1HG ARG 30 -3.279 6.443 4.885 196 HG3 ARG 30 2HG ARG 30 -1.772 6.910 5.677 197 HD2 ARG 30 1HD ARG 30 -3.183 8.376 7.186 198 HD3 ARG 30 2HD ARG 30 -4.590 7.552 6.514 199 HE ARG 30 HE ARG 30 -4.046 5.677 7.732 200 HH11 ARG 30 1HH1 ARG 30 -1.413 7.953 7.829 201 HH12 ARG 30 2HH1 ARG 30 -0.550 7.100 9.065 202 HH21 ARG 30 1HH2 ARG 30 -2.919 4.545 9.360 203 HH22 ARG 30 2HH2 ARG 30 -1.406 5.161 9.935 204 H HIS 31 H HIS 31 -1.450 5.847 3.551 205 HA HIS 31 HA HIS 31 0.924 5.804 5.053 206 HB2 HIS 31 1HB HIS 31 -0.157 3.778 5.153 207 HB3 HIS 31 2HB HIS 31 -0.608 3.812 3.450 208 HD1 HIS 31 HD1 HIS 31 2.401 3.138 5.647 209 HD2 HIS 31 HD2 HIS 31 1.032 2.379 1.798 210 HE1 HIS 31 HE1 HIS 31 4.066 1.542 4.643 211 H ARG 32 H ARG 32 0.395 5.375 1.559 212 HA ARG 32 HA ARG 32 2.943 4.885 0.702 213 HB2 ARG 32 1HB ARG 32 0.921 6.696 -0.630 214 HB3 ARG 32 2HB ARG 32 2.317 5.975 -1.419 215 HG2 ARG 32 1HG ARG 32 1.403 3.747 -1.005 216 HG3 ARG 32 2HG ARG 32 0.002 4.473 -0.215 217 HD2 ARG 32 1HD ARG 32 -0.584 5.610 -2.299 218 HD3 ARG 32 2HD ARG 32 0.823 4.896 -3.086 219 HE ARG 32 HE ARG 32 -1.684 3.598 -2.485 220 HH11 ARG 32 1HH1 ARG 32 1.687 3.175 -3.248 221 HH12 ARG 32 2HH1 ARG 32 1.480 1.567 -3.861 222 HH21 ARG 32 1HH2 ARG 32 -1.968 1.483 -3.290 223 HH22 ARG 32 2HH2 ARG 32 -0.599 0.606 -3.885 224 H GLY 33 H GLY 33 1.757 7.758 2.159 225 HA2 GLY 33 1HA GLY 33 3.459 9.704 1.111 226 HA3 GLY 33 2HA GLY 33 2.784 9.728 2.733 227 H ILE 34 H ILE 34 4.070 7.249 3.545 228 HA ILE 34 HA ILE 34 6.421 8.273 4.646 229 HB ILE 34 HB ILE 34 6.916 6.062 5.413 230 HG12 ILE 34 1HG1 ILE 34 4.830 5.012 3.494 231 HG13 ILE 34 2HG1 ILE 34 6.561 4.965 3.179 232 HG21 ILE 34 1HG2 ILE 34 3.941 6.531 5.300 233 HG22 ILE 34 2HG2 ILE 34 4.737 5.386 6.379 234 HG23 ILE 34 3HG2 ILE 34 5.062 7.113 6.531 235 HD11 ILE 34 3HD1 ILE 34 6.724 3.684 5.390 236 HD12 ILE 34 1HD1 ILE 34 4.982 3.463 5.227 237 HD13 ILE 34 2HD1 ILE 34 6.070 2.845 3.984 238 H HIS 35 H HIS 35 5.830 6.746 1.587 239 HA HIS 35 HA HIS 35 8.651 6.292 1.066 240 HB2 HIS 35 1HB HIS 35 6.295 5.962 -0.801 241 HB3 HIS 35 2HB HIS 35 7.925 5.341 -1.045 242 HD1 HIS 35 HD1 HIS 35 8.650 3.697 1.167 243 HD2 HIS 35 HD2 HIS 35 4.653 4.020 0.078 244 HE1 HIS 35 HE1 HIS 35 7.521 1.674 2.145 245 H THR 36 H THR 36 6.043 8.393 -0.084 246 HA THR 36 HA THR 36 7.610 9.759 -2.016 247 HB THR 36 HB THR 36 5.802 11.432 -2.039 248 HG1 THR 36 HG1 THR 36 4.051 11.163 -0.597 249 HG21 THR 36 3HG2 THR 36 3.908 9.816 -2.531 250 HG22 THR 36 1HG2 THR 36 5.003 8.528 -2.032 251 HG23 THR 36 2HG2 THR 36 5.409 9.544 -3.415 252 H GLY 37 H GLY 37 9.548 10.303 -0.902 253 HA2 GLY 37 1HA GLY 37 9.629 12.928 0.094 254 HA3 GLY 37 2HA GLY 37 9.667 11.822 1.459 255 H GLU 38 H GLU 38 11.737 13.646 0.668 256 HA GLU 38 HA GLU 38 13.819 11.985 -0.500 257 HB2 GLU 38 1HB GLU 38 15.218 14.071 -0.175 258 HB3 GLU 38 2HB GLU 38 13.852 14.225 -1.270 259 HG2 GLU 38 1HG GLU 38 13.447 14.947 1.579 260 HG3 GLU 38 2HG GLU 38 14.381 16.042 0.562 261 H LYS 39 H LYS 39 12.564 12.593 2.549 262 HA LYS 39 HA LYS 39 15.050 11.652 3.820 263 HB2 LYS 39 1HB LYS 39 13.061 13.689 4.812 264 HB3 LYS 39 2HB LYS 39 14.198 12.883 5.886 265 HG2 LYS 39 1HG LYS 39 16.063 13.781 4.595 266 HG3 LYS 39 2HG LYS 39 14.926 14.584 3.509 267 HD2 LYS 39 1HD LYS 39 15.406 16.308 4.940 268 HD3 LYS 39 2HD LYS 39 14.014 15.600 5.764 269 HE2 LYS 39 1HE LYS 39 15.549 14.313 7.196 270 HE3 LYS 39 2HE LYS 39 16.919 15.078 6.393 271 HZ1 LYS 39 3HZ LYS 39 16.320 16.127 8.525 272 HZ2 LYS 39 1HZ LYS 39 14.815 16.553 7.879 273 HZ3 LYS 39 2HZ LYS 39 16.232 17.201 7.221 274 HA PRO 40 HA PRO 40 12.621 8.244 5.207 275 HB2 PRO 40 1HB PRO 40 14.229 7.403 7.227 276 HB3 PRO 40 2HB PRO 40 14.618 7.151 5.521 277 HG2 PRO 40 1HG PRO 40 15.622 9.251 7.402 278 HG3 PRO 40 2HG PRO 40 16.520 8.300 6.205 279 HD2 PRO 40 1HD PRO 40 15.736 10.852 5.748 280 HD3 PRO 40 2HD PRO 40 15.853 9.643 4.454 281 H SER 41 H SER 41 11.906 7.300 7.428 282 HA SER 41 HA SER 41 10.288 9.215 8.697 283 HB2 SER 41 1HB SER 41 11.081 6.480 9.726 284 HB3 SER 41 2HB SER 41 9.692 7.429 10.254 285 HG SER 41 HG SER 41 9.917 6.906 7.529 286 H GLY 42 H GLY 42 13.231 7.559 9.829 287 HA2 GLY 42 1HA GLY 42 13.558 9.742 11.794 288 HA3 GLY 42 2HA GLY 42 13.916 8.068 12.189 289 HA PRO 43 HA PRO 43 17.492 10.417 9.931 290 HB2 PRO 43 1HB PRO 43 18.641 11.830 11.944 291 HB3 PRO 43 2HB PRO 43 17.406 12.509 10.877 292 HG2 PRO 43 1HG PRO 43 17.116 11.391 13.639 293 HG3 PRO 43 2HG PRO 43 16.391 12.851 12.941 294 HD2 PRO 43 1HD PRO 43 15.025 10.528 13.201 295 HD3 PRO 43 2HD PRO 43 14.728 11.667 11.872 296 H SER 44 H SER 44 19.882 10.270 10.609 297 HA SER 44 HA SER 44 20.365 7.618 11.522 298 HB2 SER 44 1HB SER 44 21.732 8.989 9.824 299 HB3 SER 44 2HB SER 44 22.487 9.738 11.230 300 HG SER 44 HG SER 44 23.631 8.003 11.496 301 H SER 45 H SER 45 20.461 6.956 13.552 302 HA SER 45 HA SER 45 21.486 8.809 15.598 303 HB2 SER 45 1HB SER 45 19.034 8.634 15.794 304 HB3 SER 45 2HB SER 45 19.173 6.881 15.933 305 HG SER 45 HG SER 45 19.308 7.309 17.990 306 H GLY 46 H GLY 46 23.452 7.978 16.009 307 HA2 GLY 46 1HA GLY 46 23.558 5.134 16.796 308 HA3 GLY 46 2HA GLY 46 24.804 5.843 15.780 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.899 -32.329 8.548 2 HA2 GLY 1 1HA GLY 1 8.714 -29.992 8.260 3 HA3 GLY 1 2HA GLY 1 10.143 -30.029 7.237 4 H SER 2 H SER 2 9.522 -29.201 5.343 5 HA SER 2 HA SER 2 8.411 -28.908 3.379 6 HB2 SER 2 1HB SER 2 8.975 -31.278 3.059 7 HB3 SER 2 2HB SER 2 7.500 -31.749 3.903 8 HG SER 2 HG SER 2 6.467 -30.359 2.173 9 H SER 3 H SER 3 7.139 -27.872 5.615 10 HA SER 3 HA SER 3 4.395 -27.829 4.674 11 HB2 SER 3 1HB SER 3 5.200 -28.898 7.360 12 HB3 SER 3 2HB SER 3 3.661 -28.055 7.178 13 HG SER 3 HG SER 3 4.531 -30.388 5.823 14 H GLY 4 H GLY 4 3.552 -25.836 4.810 15 HA2 GLY 4 1HA GLY 4 3.763 -23.973 6.800 16 HA3 GLY 4 2HA GLY 4 5.192 -23.702 5.812 17 H SER 5 H SER 5 1.684 -24.194 5.401 18 HA SER 5 HA SER 5 1.730 -22.428 3.079 19 HB2 SER 5 1HB SER 5 0.488 -24.589 2.985 20 HB3 SER 5 2HB SER 5 -0.592 -23.985 4.241 21 HG SER 5 HG SER 5 -0.179 -22.757 1.714 22 H SER 6 H SER 6 1.588 -20.324 3.475 23 HA SER 6 HA SER 6 -0.467 -19.391 5.351 24 HB2 SER 6 1HB SER 6 1.020 -17.734 6.300 25 HB3 SER 6 2HB SER 6 1.772 -19.320 6.463 26 HG SER 6 HG SER 6 2.512 -17.149 4.898 27 H GLY 7 H GLY 7 -1.324 -17.318 4.897 28 HA2 GLY 7 1HA GLY 7 -1.561 -15.351 3.608 29 HA3 GLY 7 2HA GLY 7 -0.468 -16.032 2.411 30 H THR 8 H THR 8 -3.741 -15.717 3.446 31 HA THR 8 HA THR 8 -4.612 -17.113 1.003 32 HB THR 8 HB THR 8 -6.749 -17.644 2.301 33 HG1 THR 8 HG1 THR 8 -5.158 -17.544 4.615 34 HG21 THR 8 3HG2 THR 8 -5.268 -19.464 3.682 35 HG22 THR 8 1HG2 THR 8 -4.121 -18.951 2.445 36 HG23 THR 8 2HG2 THR 8 -5.690 -19.607 1.976 37 H GLY 9 H GLY 9 -4.826 -15.220 -0.183 38 HA2 GLY 9 1HA GLY 9 -6.315 -13.645 -1.073 39 HA3 GLY 9 2HA GLY 9 -7.220 -13.682 0.433 40 H GLU 10 H GLU 10 -6.307 -11.383 -1.130 41 HA GLU 10 HA GLU 10 -5.031 -9.948 1.057 42 HB2 GLU 10 1HB GLU 10 -3.783 -10.426 -1.606 43 HB3 GLU 10 2HB GLU 10 -3.575 -8.841 -0.874 44 HG2 GLU 10 1HG GLU 10 -2.370 -9.680 0.916 45 HG3 GLU 10 2HG GLU 10 -2.979 -11.318 0.686 46 H LYS 11 H LYS 11 -5.201 -7.627 0.851 47 HA LYS 11 HA LYS 11 -7.672 -6.859 -0.433 48 HB2 LYS 11 1HB LYS 11 -5.752 -5.489 1.430 49 HB3 LYS 11 2HB LYS 11 -7.030 -4.585 0.628 50 HG2 LYS 11 1HG LYS 11 -7.958 -5.130 2.678 51 HG3 LYS 11 2HG LYS 11 -8.611 -6.365 1.598 52 HD2 LYS 11 1HD LYS 11 -6.554 -7.753 2.346 53 HD3 LYS 11 2HD LYS 11 -6.482 -6.612 3.691 54 HE2 LYS 11 1HE LYS 11 -8.714 -7.196 4.371 55 HE3 LYS 11 2HE LYS 11 -8.929 -8.207 2.943 56 HZ1 LYS 11 3HZ LYS 11 -6.647 -8.886 4.587 57 HZ2 LYS 11 1HZ LYS 11 -7.802 -9.891 3.868 58 HZ3 LYS 11 2HZ LYS 11 -8.147 -9.120 5.333 59 HA PRO 12 HA PRO 12 -5.951 -5.108 -4.083 60 HB2 PRO 12 1HB PRO 12 -7.855 -3.256 -4.641 61 HB3 PRO 12 2HB PRO 12 -8.106 -4.990 -4.870 62 HG2 PRO 12 1HG PRO 12 -8.976 -3.233 -2.608 63 HG3 PRO 12 2HG PRO 12 -9.879 -4.509 -3.445 64 HD2 PRO 12 1HD PRO 12 -8.692 -4.900 -1.043 65 HD3 PRO 12 2HD PRO 12 -8.855 -6.192 -2.249 66 H TYR 13 H TYR 13 -6.248 -3.415 -1.178 67 HA TYR 13 HA TYR 13 -5.019 -0.987 -2.276 68 HB2 TYR 13 1HB TYR 13 -6.138 -1.479 0.491 69 HB3 TYR 13 2HB TYR 13 -5.559 0.060 -0.135 70 HD1 TYR 13 HD2 TYR 13 -8.127 -2.568 -0.739 71 HD2 TYR 13 HD1 TYR 13 -7.036 1.519 -1.196 72 HE1 TYR 13 HE2 TYR 13 -10.385 -2.065 -1.574 73 HE2 TYR 13 HE1 TYR 13 -9.292 2.034 -2.032 74 HH TYR 13 HH TYR 13 -11.181 0.617 -3.224 75 H LYS 14 H LYS 14 -3.425 -3.270 -2.219 76 HA LYS 14 HA LYS 14 -1.711 -3.032 0.129 77 HB2 LYS 14 1HB LYS 14 -2.024 -5.280 -0.433 78 HB3 LYS 14 2HB LYS 14 -1.887 -4.967 -2.158 79 HG2 LYS 14 1HG LYS 14 0.465 -4.704 -2.013 80 HG3 LYS 14 2HG LYS 14 0.416 -4.680 -0.248 81 HD2 LYS 14 1HD LYS 14 -0.708 -7.054 -0.624 82 HD3 LYS 14 2HD LYS 14 0.208 -6.971 -2.130 83 HE2 LYS 14 1HE LYS 14 1.759 -7.951 -0.762 84 HE3 LYS 14 2HE LYS 14 2.158 -6.251 -0.520 85 HZ1 LYS 14 3HZ LYS 14 0.141 -7.246 1.279 86 HZ2 LYS 14 1HZ LYS 14 1.527 -6.333 1.606 87 HZ3 LYS 14 2HZ LYS 14 1.639 -8.013 1.452 88 H CYS 15 H CYS 15 0.096 -1.866 0.163 89 HA CYS 15 HA CYS 15 0.853 -0.219 -1.999 90 HB2 CYS 15 1HB CYS 15 1.341 0.543 0.203 91 HB3 CYS 15 2HB CYS 15 2.222 -0.931 0.594 92 H ASN 16 H ASN 16 2.857 -0.207 -3.172 93 HA ASN 16 HA ASN 16 3.840 -2.926 -3.707 94 HB2 ASN 16 1HB ASN 16 2.784 -1.775 -5.617 95 HB3 ASN 16 2HB ASN 16 3.954 -0.467 -5.469 96 HD21 ASN 16 1HD2 ASN 16 4.646 -0.846 -7.592 97 HD22 ASN 16 2HD2 ASN 16 5.671 -2.181 -7.982 98 H GLU 17 H GLU 17 4.795 0.315 -2.839 99 HA GLU 17 HA GLU 17 7.530 0.213 -3.308 100 HB2 GLU 17 1HB GLU 17 5.863 1.647 -1.263 101 HB3 GLU 17 2HB GLU 17 7.616 1.779 -1.238 102 HG2 GLU 17 1HG GLU 17 5.796 2.549 -3.507 103 HG3 GLU 17 2HG GLU 17 6.649 3.645 -2.422 104 H CYS 18 H CYS 18 5.816 -0.593 -0.286 105 HA CYS 18 HA CYS 18 8.188 -2.118 0.556 106 HB2 CYS 18 1HB CYS 18 7.293 -1.906 2.851 107 HB3 CYS 18 2HB CYS 18 7.588 -0.339 2.106 108 H GLY 19 H GLY 19 4.633 -2.225 0.516 109 HA2 GLY 19 1HA GLY 19 3.656 -4.310 -0.388 110 HA3 GLY 19 2HA GLY 19 4.839 -5.173 0.584 111 H LYS 20 H LYS 20 2.962 -2.369 1.604 112 HA LYS 20 HA LYS 20 2.006 -3.855 3.900 113 HB2 LYS 20 1HB LYS 20 2.817 -1.340 3.728 114 HB3 LYS 20 2HB LYS 20 1.130 -1.060 3.319 115 HG2 LYS 20 1HG LYS 20 0.387 -1.593 5.408 116 HG3 LYS 20 2HG LYS 20 1.733 -2.690 5.727 117 HD2 LYS 20 1HD LYS 20 3.235 -0.805 6.013 118 HD3 LYS 20 2HD LYS 20 1.938 0.319 5.603 119 HE2 LYS 20 1HE LYS 20 1.535 -1.597 7.851 120 HE3 LYS 20 2HE LYS 20 2.561 -0.187 8.109 121 HZ1 LYS 20 3HZ LYS 20 0.436 0.494 8.733 122 HZ2 LYS 20 1HZ LYS 20 -0.312 -0.263 7.418 123 HZ3 LYS 20 2HZ LYS 20 0.616 1.130 7.176 124 H VAL 21 H VAL 21 -0.313 -3.626 4.557 125 HA VAL 21 HA VAL 21 -2.118 -3.656 2.232 126 HB VAL 21 HB VAL 21 -2.268 -5.595 4.543 127 HG11 VAL 21 1HG1 VAL 21 -4.176 -4.764 2.602 128 HG12 VAL 21 2HG1 VAL 21 -3.734 -6.440 2.274 129 HG13 VAL 21 3HG1 VAL 21 -4.344 -5.983 3.864 130 HG21 VAL 21 3HG2 VAL 21 -1.605 -7.304 2.899 131 HG22 VAL 21 1HG2 VAL 21 -1.343 -6.032 1.705 132 HG23 VAL 21 2HG2 VAL 21 -0.341 -6.101 3.155 133 H PHE 22 H PHE 22 -4.112 -2.756 2.528 134 HA PHE 22 HA PHE 22 -4.854 -1.875 5.223 135 HB2 PHE 22 1HB PHE 22 -4.903 -0.058 2.805 136 HB3 PHE 22 2HB PHE 22 -5.385 0.367 4.444 137 HD1 PHE 22 HD1 PHE 22 -3.712 0.680 6.191 138 HD2 PHE 22 HD2 PHE 22 -2.596 -0.169 2.172 139 HE1 PHE 22 HE1 PHE 22 -1.412 1.408 6.679 140 HE2 PHE 22 HE2 PHE 22 -0.295 0.556 2.654 141 HZ PHE 22 HZ PHE 22 0.300 1.345 4.910 142 H THR 23 H THR 23 -7.126 -1.185 5.370 143 HA THR 23 HA THR 23 -8.792 -2.683 3.457 144 HB THR 23 HB THR 23 -9.517 -1.939 6.295 145 HG1 THR 23 HG1 THR 23 -8.612 -3.766 6.914 146 HG21 THR 23 3HG2 THR 23 -11.553 -2.694 5.799 147 HG22 THR 23 1HG2 THR 23 -10.878 -4.224 5.238 148 HG23 THR 23 2HG2 THR 23 -11.054 -2.874 4.117 149 H GLN 24 H GLN 24 -7.832 0.194 3.415 150 HA GLN 24 HA GLN 24 -10.219 1.336 2.405 151 HB2 GLN 24 1HB GLN 24 -11.023 1.900 4.475 152 HB3 GLN 24 2HB GLN 24 -9.420 1.992 5.193 153 HG2 GLN 24 1HG GLN 24 -9.115 4.164 4.586 154 HG3 GLN 24 2HG GLN 24 -10.153 4.031 3.168 155 HE21 GLN 24 1HE2 GLN 24 -10.444 3.678 6.691 156 HE22 GLN 24 2HE2 GLN 24 -11.904 4.590 6.832 157 H ASN 25 H ASN 25 -9.647 2.726 0.865 158 HA ASN 25 HA ASN 25 -7.111 3.251 0.046 159 HB2 ASN 25 1HB ASN 25 -7.979 4.936 -1.365 160 HB3 ASN 25 2HB ASN 25 -9.315 3.814 -1.124 161 HD21 ASN 25 1HD2 ASN 25 -8.661 6.938 -1.395 162 HD22 ASN 25 2HD2 ASN 25 -9.886 7.618 -0.383 163 H SER 26 H SER 26 -9.064 5.404 2.105 164 HA SER 26 HA SER 26 -7.271 7.453 2.477 165 HB2 SER 26 1HB SER 26 -9.469 6.301 4.125 166 HB3 SER 26 2HB SER 26 -8.372 7.435 4.913 167 HG SER 26 HG SER 26 -8.874 8.655 2.763 168 H HIS 27 H HIS 27 -7.264 4.264 3.909 169 HA HIS 27 HA HIS 27 -5.244 4.867 5.860 170 HB2 HIS 27 1HB HIS 27 -6.328 2.230 4.849 171 HB3 HIS 27 2HB HIS 27 -5.191 2.392 6.185 172 HD1 HIS 27 HD1 HIS 27 -7.904 1.090 6.674 173 HD2 HIS 27 HD2 HIS 27 -7.173 5.147 7.191 174 HE1 HIS 27 HE1 HIS 27 -9.665 1.891 8.280 175 H LEU 28 H LEU 28 -5.322 3.633 2.589 176 HA LEU 28 HA LEU 28 -2.572 2.793 2.590 177 HB2 LEU 28 1HB LEU 28 -3.952 1.603 1.122 178 HB3 LEU 28 2HB LEU 28 -4.688 3.073 0.486 179 HG LEU 28 HG LEU 28 -2.612 3.604 -0.695 180 HD11 LEU 28 1HD1 LEU 28 -0.662 2.558 -0.372 181 HD12 LEU 28 2HD1 LEU 28 -1.414 0.963 -0.325 182 HD13 LEU 28 3HD1 LEU 28 -1.393 1.971 1.122 183 HD21 LEU 28 3HD2 LEU 28 -4.477 1.744 -1.388 184 HD22 LEU 28 1HD2 LEU 28 -2.979 0.832 -1.570 185 HD23 LEU 28 2HD2 LEU 28 -3.204 2.343 -2.452 186 H ALA 29 H ALA 29 -4.298 5.304 0.730 187 HA ALA 29 HA ALA 29 -2.295 6.646 -0.445 188 HB1 ALA 29 3HB ALA 29 -4.003 7.981 -0.912 189 HB2 ALA 29 1HB ALA 29 -4.928 7.320 0.437 190 HB3 ALA 29 2HB ALA 29 -3.854 8.697 0.693 191 H ARG 30 H ARG 30 -3.334 7.328 2.901 192 HA ARG 30 HA ARG 30 -1.411 9.215 3.537 193 HB2 ARG 30 1HB ARG 30 -2.100 8.996 5.718 194 HB3 ARG 30 2HB ARG 30 -3.458 8.250 4.887 195 HG2 ARG 30 1HG ARG 30 -2.635 6.056 5.378 196 HG3 ARG 30 2HG ARG 30 -1.138 6.718 6.038 197 HD2 ARG 30 1HD ARG 30 -2.849 8.015 7.597 198 HD3 ARG 30 2HD ARG 30 -3.865 6.626 7.212 199 HE ARG 30 HE ARG 30 -1.471 6.644 8.837 200 HH11 ARG 30 1HH1 ARG 30 -3.764 4.735 7.043 201 HH12 ARG 30 2HH1 ARG 30 -3.403 3.268 7.891 202 HH21 ARG 30 1HH2 ARG 30 -0.987 4.718 9.961 203 HH22 ARG 30 2HH2 ARG 30 -1.824 3.260 9.551 204 H HIS 31 H HIS 31 -1.227 5.687 3.749 205 HA HIS 31 HA HIS 31 1.289 5.529 4.992 206 HB2 HIS 31 1HB HIS 31 0.201 3.501 5.037 207 HB3 HIS 31 2HB HIS 31 -0.404 3.667 3.391 208 HD1 HIS 31 HD1 HIS 31 2.715 2.717 5.286 209 HD2 HIS 31 HD2 HIS 31 1.146 2.487 1.446 210 HE1 HIS 31 HE1 HIS 31 4.293 1.238 4.002 211 H ARG 32 H ARG 32 0.398 5.399 1.550 212 HA ARG 32 HA ARG 32 2.865 4.996 0.417 213 HB2 ARG 32 1HB ARG 32 0.499 6.612 -0.496 214 HB3 ARG 32 2HB ARG 32 1.949 6.486 -1.483 215 HG2 ARG 32 1HG ARG 32 1.592 3.910 -1.093 216 HG3 ARG 32 2HG ARG 32 -0.073 4.419 -0.807 217 HD2 ARG 32 1HD ARG 32 0.142 3.858 -3.120 218 HD3 ARG 32 2HD ARG 32 -0.010 5.611 -2.995 219 HE ARG 32 HE ARG 32 2.707 4.654 -3.079 220 HH11 ARG 32 1HH1 ARG 32 -0.042 5.704 -4.938 221 HH12 ARG 32 2HH1 ARG 32 0.901 6.159 -6.319 222 HH21 ARG 32 1HH2 ARG 32 3.960 5.248 -4.890 223 HH22 ARG 32 2HH2 ARG 32 3.177 5.898 -6.291 224 H GLY 33 H GLY 33 1.810 7.711 2.208 225 HA2 GLY 33 1HA GLY 33 3.353 9.772 1.110 226 HA3 GLY 33 2HA GLY 33 2.837 9.679 2.787 227 H ILE 34 H ILE 34 4.255 7.137 3.226 228 HA ILE 34 HA ILE 34 6.705 8.186 4.144 229 HB ILE 34 HB ILE 34 7.264 5.982 4.848 230 HG12 ILE 34 1HG1 ILE 34 5.039 4.921 3.097 231 HG13 ILE 34 2HG1 ILE 34 6.739 4.902 2.641 232 HG21 ILE 34 1HG2 ILE 34 4.413 6.786 5.086 233 HG22 ILE 34 2HG2 ILE 34 4.890 5.205 5.702 234 HG23 ILE 34 3HG2 ILE 34 5.661 6.663 6.326 235 HD11 ILE 34 3HD1 ILE 34 5.403 2.900 3.934 236 HD12 ILE 34 1HD1 ILE 34 7.154 3.100 3.876 237 HD13 ILE 34 2HD1 ILE 34 6.241 3.720 5.252 238 H HIS 35 H HIS 35 5.759 6.746 1.141 239 HA HIS 35 HA HIS 35 8.526 6.347 0.302 240 HB2 HIS 35 1HB HIS 35 6.002 5.856 -1.286 241 HB3 HIS 35 2HB HIS 35 7.620 5.264 -1.651 242 HD1 HIS 35 HD1 HIS 35 8.593 3.709 0.507 243 HD2 HIS 35 HD2 HIS 35 4.494 3.950 -0.128 244 HE1 HIS 35 HE1 HIS 35 7.613 1.715 1.684 245 H THR 36 H THR 36 5.706 8.325 -0.480 246 HA THR 36 HA THR 36 7.190 9.801 -2.499 247 HB THR 36 HB THR 36 5.079 11.088 -2.782 248 HG1 THR 36 HG1 THR 36 4.385 10.661 -0.534 249 HG21 THR 36 3HG2 THR 36 5.199 9.327 -4.280 250 HG22 THR 36 1HG2 THR 36 3.680 8.988 -3.450 251 HG23 THR 36 2HG2 THR 36 5.143 8.105 -3.010 252 H GLY 37 H GLY 37 8.735 11.019 -1.493 253 HA2 GLY 37 1HA GLY 37 9.313 13.157 -0.676 254 HA3 GLY 37 2HA GLY 37 7.738 13.262 0.096 255 H GLU 38 H GLU 38 10.720 11.316 0.257 256 HA GLU 38 HA GLU 38 10.277 10.862 3.097 257 HB2 GLU 38 1HB GLU 38 12.230 9.385 2.955 258 HB3 GLU 38 2HB GLU 38 11.033 8.985 1.730 259 HG2 GLU 38 1HG GLU 38 12.424 10.444 0.158 260 HG3 GLU 38 2HG GLU 38 13.684 10.333 1.386 261 H LYS 39 H LYS 39 12.146 11.145 4.599 262 HA LYS 39 HA LYS 39 12.944 13.818 4.712 263 HB2 LYS 39 1HB LYS 39 13.610 11.337 6.185 264 HB3 LYS 39 2HB LYS 39 14.777 12.647 6.312 265 HG2 LYS 39 1HG LYS 39 12.706 14.098 6.883 266 HG3 LYS 39 2HG LYS 39 11.938 12.548 7.232 267 HD2 LYS 39 1HD LYS 39 14.580 13.365 8.421 268 HD3 LYS 39 2HD LYS 39 13.033 13.727 9.190 269 HE2 LYS 39 1HE LYS 39 12.587 11.188 8.904 270 HE3 LYS 39 2HE LYS 39 14.335 11.074 8.705 271 HZ1 LYS 39 3HZ LYS 39 14.696 11.884 10.856 272 HZ2 LYS 39 1HZ LYS 39 13.430 10.776 11.030 273 HZ3 LYS 39 2HZ LYS 39 13.106 12.436 11.026 274 HA PRO 40 HA PRO 40 17.336 12.435 3.261 275 HB2 PRO 40 1HB PRO 40 17.606 9.900 2.327 276 HB3 PRO 40 2HB PRO 40 17.820 10.325 4.029 277 HG2 PRO 40 1HG PRO 40 15.439 9.137 2.657 278 HG3 PRO 40 2HG PRO 40 16.159 8.707 4.220 279 HD2 PRO 40 1HD PRO 40 13.948 10.255 4.012 280 HD3 PRO 40 2HD PRO 40 15.136 10.458 5.316 281 H SER 41 H SER 41 18.286 11.445 1.037 282 HA SER 41 HA SER 41 16.298 11.976 -1.069 283 HB2 SER 41 1HB SER 41 17.765 13.947 -0.732 284 HB3 SER 41 2HB SER 41 19.171 12.935 -1.062 285 HG SER 41 HG SER 41 18.503 12.688 -3.150 286 H GLY 42 H GLY 42 19.452 10.544 -0.296 287 HA2 GLY 42 1HA GLY 42 19.413 8.076 -1.017 288 HA3 GLY 42 2HA GLY 42 19.147 8.755 -2.616 289 HA PRO 43 HA PRO 43 23.661 9.849 -1.159 290 HB2 PRO 43 1HB PRO 43 24.661 8.166 0.722 291 HB3 PRO 43 2HB PRO 43 23.836 9.677 1.125 292 HG2 PRO 43 1HG PRO 43 22.772 6.879 1.127 293 HG3 PRO 43 2HG PRO 43 22.527 8.170 2.318 294 HD2 PRO 43 1HD PRO 43 20.674 7.546 0.445 295 HD3 PRO 43 2HD PRO 43 20.897 9.199 1.055 296 H SER 44 H SER 44 23.934 8.985 -3.266 297 HA SER 44 HA SER 44 24.657 6.150 -3.439 298 HB2 SER 44 1HB SER 44 22.996 7.251 -5.053 299 HB3 SER 44 2HB SER 44 24.395 8.058 -5.761 300 HG SER 44 HG SER 44 25.269 5.804 -5.896 301 H SER 45 H SER 45 26.598 7.089 -2.106 302 HA SER 45 HA SER 45 28.875 6.950 -3.780 303 HB2 SER 45 1HB SER 45 29.797 9.184 -3.445 304 HB3 SER 45 2HB SER 45 28.234 9.299 -4.252 305 HG SER 45 HG SER 45 27.431 9.554 -1.961 306 H GLY 46 H GLY 46 30.361 5.945 -2.601 307 HA2 GLY 46 1HA GLY 46 31.771 6.344 -0.513 308 HA3 GLY 46 2HA GLY 46 30.233 6.237 0.331 Start of MODEL 12 1 H1 GLY 1 H GLY 1 8.392 -28.609 13.314 2 HA2 GLY 1 1HA GLY 1 9.668 -29.025 10.873 3 HA3 GLY 1 2HA GLY 1 7.972 -28.733 10.518 4 H SER 2 H SER 2 7.406 -26.694 10.185 5 HA SER 2 HA SER 2 8.387 -24.523 11.743 6 HB2 SER 2 1HB SER 2 9.495 -23.305 9.853 7 HB3 SER 2 2HB SER 2 10.374 -24.738 10.385 8 HG SER 2 HG SER 2 9.377 -24.176 7.958 9 H SER 3 H SER 3 7.126 -22.713 11.525 10 HA SER 3 HA SER 3 5.401 -22.316 9.264 11 HB2 SER 3 1HB SER 3 3.283 -22.457 10.577 12 HB3 SER 3 2HB SER 3 4.084 -24.016 10.383 13 HG SER 3 HG SER 3 3.717 -24.007 12.491 14 H GLY 4 H GLY 4 4.638 -20.237 9.141 15 HA2 GLY 4 1HA GLY 4 4.533 -18.487 11.402 16 HA3 GLY 4 2HA GLY 4 5.960 -18.194 10.419 17 H SER 5 H SER 5 2.632 -17.621 10.792 18 HA SER 5 HA SER 5 2.563 -16.264 8.177 19 HB2 SER 5 1HB SER 5 1.072 -18.294 8.329 20 HB3 SER 5 2HB SER 5 0.163 -17.451 9.583 21 HG SER 5 HG SER 5 0.308 -16.956 6.841 22 H SER 6 H SER 6 1.261 -16.291 11.478 23 HA SER 6 HA SER 6 0.379 -14.633 12.781 24 HB2 SER 6 1HB SER 6 2.665 -13.196 11.422 25 HB3 SER 6 2HB SER 6 1.756 -12.514 12.770 26 HG SER 6 HG SER 6 2.355 -14.759 13.713 27 H GLY 7 H GLY 7 -1.114 -14.989 10.479 28 HA2 GLY 7 1HA GLY 7 -3.031 -13.351 10.211 29 HA3 GLY 7 2HA GLY 7 -1.789 -12.231 9.672 30 H THR 8 H THR 8 -4.207 -13.964 8.526 31 HA THR 8 HA THR 8 -2.837 -14.498 5.974 32 HB THR 8 HB THR 8 -5.112 -16.162 7.065 33 HG1 THR 8 HG1 THR 8 -3.589 -17.122 8.170 34 HG21 THR 8 3HG2 THR 8 -4.686 -17.626 5.221 35 HG22 THR 8 1HG2 THR 8 -3.251 -16.714 4.756 36 HG23 THR 8 2HG2 THR 8 -4.850 -15.993 4.575 37 H GLY 9 H GLY 9 -3.939 -13.955 4.111 38 HA2 GLY 9 1HA GLY 9 -6.252 -13.519 3.188 39 HA3 GLY 9 2HA GLY 9 -6.419 -12.408 4.540 40 H GLU 10 H GLU 10 -6.636 -11.823 1.711 41 HA GLU 10 HA GLU 10 -4.537 -9.774 1.555 42 HB2 GLU 10 1HB GLU 10 -4.303 -10.129 -0.843 43 HB3 GLU 10 2HB GLU 10 -3.931 -11.607 0.032 44 HG2 GLU 10 1HG GLU 10 -5.779 -12.700 -0.740 45 HG3 GLU 10 2HG GLU 10 -6.703 -11.215 -0.957 46 H LYS 11 H LYS 11 -5.178 -7.800 0.795 47 HA LYS 11 HA LYS 11 -8.040 -7.521 0.149 48 HB2 LYS 11 1HB LYS 11 -6.240 -5.949 1.920 49 HB3 LYS 11 2HB LYS 11 -7.455 -5.060 1.010 50 HG2 LYS 11 1HG LYS 11 -8.455 -5.522 3.070 51 HG3 LYS 11 2HG LYS 11 -9.145 -6.706 1.957 52 HD2 LYS 11 1HD LYS 11 -8.617 -7.962 3.855 53 HD3 LYS 11 2HD LYS 11 -7.263 -8.259 2.762 54 HE2 LYS 11 1HE LYS 11 -6.127 -7.806 4.695 55 HE3 LYS 11 2HE LYS 11 -6.235 -6.184 4.015 56 HZ1 LYS 11 3HZ LYS 11 -8.121 -7.302 6.018 57 HZ2 LYS 11 1HZ LYS 11 -8.107 -5.718 5.423 58 HZ3 LYS 11 2HZ LYS 11 -6.829 -6.272 6.381 59 HA PRO 12 HA PRO 12 -7.046 -5.534 -3.635 60 HB2 PRO 12 1HB PRO 12 -8.888 -3.544 -3.763 61 HB3 PRO 12 2HB PRO 12 -9.301 -5.250 -3.974 62 HG2 PRO 12 1HG PRO 12 -9.581 -3.520 -1.547 63 HG3 PRO 12 2HG PRO 12 -10.719 -4.704 -2.214 64 HD2 PRO 12 1HD PRO 12 -9.112 -5.255 -0.106 65 HD3 PRO 12 2HD PRO 12 -9.601 -6.491 -1.283 66 H TYR 13 H TYR 13 -6.538 -4.000 -0.707 67 HA TYR 13 HA TYR 13 -5.247 -1.700 -2.023 68 HB2 TYR 13 1HB TYR 13 -6.346 -1.867 0.791 69 HB3 TYR 13 2HB TYR 13 -5.541 -0.469 0.087 70 HD1 TYR 13 HD2 TYR 13 -8.600 -2.504 0.067 71 HD2 TYR 13 HD1 TYR 13 -6.686 0.972 -1.469 72 HE1 TYR 13 HE2 TYR 13 -10.764 -1.691 -0.773 73 HE2 TYR 13 HE1 TYR 13 -8.845 1.795 -2.313 74 HH TYR 13 HH TYR 13 -11.819 -0.106 -1.910 75 H LYS 14 H LYS 14 -3.248 -2.639 -2.329 76 HA LYS 14 HA LYS 14 -1.696 -3.072 0.124 77 HB2 LYS 14 1HB LYS 14 -2.069 -5.295 -0.548 78 HB3 LYS 14 2HB LYS 14 -1.892 -4.903 -2.253 79 HG2 LYS 14 1HG LYS 14 0.410 -4.867 -2.145 80 HG3 LYS 14 2HG LYS 14 0.427 -4.559 -0.407 81 HD2 LYS 14 1HD LYS 14 -0.202 -6.806 0.076 82 HD3 LYS 14 2HD LYS 14 -0.547 -7.138 -1.623 83 HE2 LYS 14 1HE LYS 14 2.179 -6.422 -0.554 84 HE3 LYS 14 2HE LYS 14 1.618 -8.074 -0.803 85 HZ1 LYS 14 3HZ LYS 14 1.173 -6.574 -3.143 86 HZ2 LYS 14 1HZ LYS 14 2.165 -7.928 -2.928 87 HZ3 LYS 14 2HZ LYS 14 2.784 -6.376 -2.668 88 H CYS 15 H CYS 15 0.049 -1.827 0.166 89 HA CYS 15 HA CYS 15 0.778 -0.129 -1.950 90 HB2 CYS 15 1HB CYS 15 1.291 0.499 0.314 91 HB3 CYS 15 2HB CYS 15 2.270 -0.945 0.547 92 H ASN 16 H ASN 16 2.715 -0.075 -3.202 93 HA ASN 16 HA ASN 16 3.704 -2.764 -3.855 94 HB2 ASN 16 1HB ASN 16 3.320 -0.261 -5.453 95 HB3 ASN 16 2HB ASN 16 4.537 -1.427 -5.964 96 HD21 ASN 16 1HD2 ASN 16 1.456 -0.500 -6.421 97 HD22 ASN 16 2HD2 ASN 16 0.768 -1.987 -6.970 98 H GLU 17 H GLU 17 4.684 0.455 -2.914 99 HA GLU 17 HA GLU 17 7.407 0.361 -3.441 100 HB2 GLU 17 1HB GLU 17 5.826 1.718 -1.270 101 HB3 GLU 17 2HB GLU 17 7.572 1.892 -1.382 102 HG2 GLU 17 1HG GLU 17 6.659 3.763 -2.468 103 HG3 GLU 17 2HG GLU 17 7.224 2.688 -3.746 104 H CYS 18 H CYS 18 5.805 -0.450 -0.357 105 HA CYS 18 HA CYS 18 8.181 -2.011 0.383 106 HB2 CYS 18 1HB CYS 18 7.307 -1.884 2.693 107 HB3 CYS 18 2HB CYS 18 7.577 -0.291 1.993 108 H GLY 19 H GLY 19 4.627 -2.168 0.404 109 HA2 GLY 19 1HA GLY 19 3.668 -4.240 -0.561 110 HA3 GLY 19 2HA GLY 19 4.874 -5.114 0.373 111 H LYS 20 H LYS 20 3.054 -2.357 1.565 112 HA LYS 20 HA LYS 20 2.081 -3.965 3.770 113 HB2 LYS 20 1HB LYS 20 2.984 -1.489 3.787 114 HB3 LYS 20 2HB LYS 20 1.318 -1.100 3.379 115 HG2 LYS 20 1HG LYS 20 0.503 -1.918 5.402 116 HG3 LYS 20 2HG LYS 20 1.971 -2.845 5.724 117 HD2 LYS 20 1HD LYS 20 3.195 -0.914 6.276 118 HD3 LYS 20 2HD LYS 20 1.992 0.156 5.554 119 HE2 LYS 20 1HE LYS 20 1.470 0.414 7.763 120 HE3 LYS 20 2HE LYS 20 0.427 -0.949 7.366 121 HZ1 LYS 20 3HZ LYS 20 2.111 -2.445 8.244 122 HZ2 LYS 20 1HZ LYS 20 1.629 -1.331 9.422 123 HZ3 LYS 20 2HZ LYS 20 3.109 -1.134 8.628 124 H VAL 21 H VAL 21 -0.190 -3.868 4.446 125 HA VAL 21 HA VAL 21 -2.022 -3.679 2.143 126 HB VAL 21 HB VAL 21 -2.087 -5.685 4.400 127 HG11 VAL 21 1HG1 VAL 21 -4.131 -4.831 2.437 128 HG12 VAL 21 2HG1 VAL 21 -3.977 -6.564 2.733 129 HG13 VAL 21 3HG1 VAL 21 -4.321 -5.466 4.071 130 HG21 VAL 21 3HG2 VAL 21 -0.457 -6.306 2.767 131 HG22 VAL 21 1HG2 VAL 21 -1.881 -7.315 2.512 132 HG23 VAL 21 2HG2 VAL 21 -1.566 -5.948 1.443 133 H PHE 22 H PHE 22 -4.109 -2.909 2.529 134 HA PHE 22 HA PHE 22 -4.710 -1.907 5.211 135 HB2 PHE 22 1HB PHE 22 -4.777 -0.195 2.717 136 HB3 PHE 22 2HB PHE 22 -5.367 0.296 4.302 137 HD1 PHE 22 HD1 PHE 22 -3.822 0.795 6.106 138 HD2 PHE 22 HD2 PHE 22 -2.422 -0.310 2.241 139 HE1 PHE 22 HE1 PHE 22 -1.578 1.619 6.687 140 HE2 PHE 22 HE2 PHE 22 -0.175 0.511 2.817 141 HZ PHE 22 HZ PHE 22 0.250 1.476 5.042 142 H THR 23 H THR 23 -6.999 -1.034 5.301 143 HA THR 23 HA THR 23 -8.728 -2.881 3.824 144 HB THR 23 HB THR 23 -9.439 -1.176 6.217 145 HG1 THR 23 HG1 THR 23 -9.330 -3.500 7.129 146 HG21 THR 23 3HG2 THR 23 -11.478 -2.187 6.236 147 HG22 THR 23 1HG2 THR 23 -10.864 -3.687 5.541 148 HG23 THR 23 2HG2 THR 23 -11.164 -2.292 4.504 149 H GLN 24 H GLN 24 -8.290 0.549 4.519 150 HA GLN 24 HA GLN 24 -10.379 1.170 2.541 151 HB2 GLN 24 1HB GLN 24 -10.638 2.048 4.903 152 HB3 GLN 24 2HB GLN 24 -9.234 3.061 4.594 153 HG2 GLN 24 1HG GLN 24 -11.396 4.224 4.301 154 HG3 GLN 24 2HG GLN 24 -10.377 4.240 2.863 155 HE21 GLN 24 1HE2 GLN 24 -11.991 4.504 1.391 156 HE22 GLN 24 2HE2 GLN 24 -13.199 3.311 1.071 157 H ASN 25 H ASN 25 -9.982 3.140 1.225 158 HA ASN 25 HA ASN 25 -7.494 2.935 -0.118 159 HB2 ASN 25 1HB ASN 25 -8.385 5.129 -1.227 160 HB3 ASN 25 2HB ASN 25 -9.220 3.607 -1.521 161 HD21 ASN 25 1HD2 ASN 25 -11.145 4.651 -1.996 162 HD22 ASN 25 2HD2 ASN 25 -12.119 5.386 -0.773 163 H SER 26 H SER 26 -8.880 5.429 1.999 164 HA SER 26 HA SER 26 -6.827 7.286 1.892 165 HB2 SER 26 1HB SER 26 -8.660 6.563 4.186 166 HB3 SER 26 2HB SER 26 -7.601 7.972 4.187 167 HG SER 26 HG SER 26 -9.879 8.226 3.431 168 H HIS 27 H HIS 27 -7.278 4.831 4.444 169 HA HIS 27 HA HIS 27 -5.005 5.146 5.883 170 HB2 HIS 27 1HB HIS 27 -6.047 2.432 5.059 171 HB3 HIS 27 2HB HIS 27 -5.152 2.827 6.523 172 HD1 HIS 27 HD1 HIS 27 -7.939 1.475 6.616 173 HD2 HIS 27 HD2 HIS 27 -7.283 5.565 6.947 174 HE1 HIS 27 HE1 HIS 27 -9.946 2.382 7.830 175 H LEU 28 H LEU 28 -5.273 3.679 2.710 176 HA LEU 28 HA LEU 28 -2.554 2.741 2.671 177 HB2 LEU 28 1HB LEU 28 -3.874 1.445 1.317 178 HB3 LEU 28 2HB LEU 28 -4.827 2.816 0.753 179 HG LEU 28 HG LEU 28 -2.895 3.510 -0.649 180 HD11 LEU 28 1HD1 LEU 28 -1.657 1.269 0.773 181 HD12 LEU 28 2HD1 LEU 28 -0.921 2.670 -0.005 182 HD13 LEU 28 3HD1 LEU 28 -1.387 1.270 -0.970 183 HD21 LEU 28 3HD2 LEU 28 -4.828 1.716 -1.191 184 HD22 LEU 28 1HD2 LEU 28 -3.397 0.733 -1.499 185 HD23 LEU 28 2HD2 LEU 28 -3.629 2.249 -2.370 186 H ALA 29 H ALA 29 -4.278 5.153 0.681 187 HA ALA 29 HA ALA 29 -2.184 6.305 -0.620 188 HB1 ALA 29 3HB ALA 29 -4.587 7.707 0.542 189 HB2 ALA 29 1HB ALA 29 -3.503 8.396 -0.667 190 HB3 ALA 29 2HB ALA 29 -4.461 6.966 -1.054 191 H ARG 30 H ARG 30 -3.343 7.198 2.624 192 HA ARG 30 HA ARG 30 -1.517 9.250 3.119 193 HB2 ARG 30 1HB ARG 30 -2.097 9.035 5.429 194 HB3 ARG 30 2HB ARG 30 -3.545 8.699 4.490 195 HG2 ARG 30 1HG ARG 30 -3.346 6.359 4.874 196 HG3 ARG 30 2HG ARG 30 -1.743 6.556 5.586 197 HD2 ARG 30 1HD ARG 30 -2.763 7.891 7.403 198 HD3 ARG 30 2HD ARG 30 -4.352 7.570 6.709 199 HE ARG 30 HE ARG 30 -4.295 5.494 7.658 200 HH11 ARG 30 1HH1 ARG 30 -1.057 6.771 7.552 201 HH12 ARG 30 2HH1 ARG 30 -0.374 5.469 8.470 202 HH21 ARG 30 1HH2 ARG 30 -3.407 3.776 8.867 203 HH22 ARG 30 2HH2 ARG 30 -1.712 3.766 9.216 204 H HIS 31 H HIS 31 -1.250 5.765 3.608 205 HA HIS 31 HA HIS 31 1.183 5.771 5.022 206 HB2 HIS 31 1HB HIS 31 0.146 3.719 5.142 207 HB3 HIS 31 2HB HIS 31 -0.354 3.751 3.454 208 HD1 HIS 31 HD1 HIS 31 2.647 3.013 5.611 209 HD2 HIS 31 HD2 HIS 31 1.362 2.505 1.693 210 HE1 HIS 31 HE1 HIS 31 4.346 1.503 4.537 211 H ARG 32 H ARG 32 0.508 5.408 1.549 212 HA ARG 32 HA ARG 32 3.005 4.957 0.552 213 HB2 ARG 32 1HB ARG 32 0.692 6.548 -0.496 214 HB3 ARG 32 2HB ARG 32 2.201 6.504 -1.398 215 HG2 ARG 32 1HG ARG 32 2.058 4.042 -1.456 216 HG3 ARG 32 2HG ARG 32 0.499 4.141 -0.634 217 HD2 ARG 32 1HD ARG 32 0.188 3.885 -3.031 218 HD3 ARG 32 2HD ARG 32 -0.392 5.461 -2.494 219 HE ARG 32 HE ARG 32 1.862 4.927 -4.231 220 HH11 ARG 32 1HH1 ARG 32 0.213 7.232 -2.210 221 HH12 ARG 32 2HH1 ARG 32 0.933 8.612 -2.972 222 HH21 ARG 32 1HH2 ARG 32 2.817 6.735 -5.242 223 HH22 ARG 32 2HH2 ARG 32 2.413 8.327 -4.697 224 H GLY 33 H GLY 33 1.892 7.794 2.149 225 HA2 GLY 33 1HA GLY 33 3.590 9.749 1.102 226 HA3 GLY 33 2HA GLY 33 2.949 9.743 2.738 227 H ILE 34 H ILE 34 4.183 7.350 3.629 228 HA ILE 34 HA ILE 34 6.589 8.298 4.622 229 HB ILE 34 HB ILE 34 7.033 6.116 5.440 230 HG12 ILE 34 1HG1 ILE 34 5.007 5.017 3.484 231 HG13 ILE 34 2HG1 ILE 34 6.746 4.986 3.212 232 HG21 ILE 34 1HG2 ILE 34 5.121 5.716 6.670 233 HG22 ILE 34 2HG2 ILE 34 4.866 7.375 6.130 234 HG23 ILE 34 3HG2 ILE 34 4.050 6.045 5.307 235 HD11 ILE 34 3HD1 ILE 34 6.674 3.816 5.606 236 HD12 ILE 34 1HD1 ILE 34 5.076 3.359 5.017 237 HD13 ILE 34 2HD1 ILE 34 6.514 2.925 4.092 238 H HIS 35 H HIS 35 5.895 6.913 1.549 239 HA HIS 35 HA HIS 35 8.687 6.317 0.980 240 HB2 HIS 35 1HB HIS 35 6.237 6.082 -0.779 241 HB3 HIS 35 2HB HIS 35 7.851 5.506 -1.187 242 HD1 HIS 35 HD1 HIS 35 8.766 3.800 0.939 243 HD2 HIS 35 HD2 HIS 35 4.713 4.026 0.050 244 HE1 HIS 35 HE1 HIS 35 7.753 1.697 1.875 245 H THR 36 H THR 36 6.151 8.550 -0.072 246 HA THR 36 HA THR 36 8.254 10.257 -1.230 247 HB THR 36 HB THR 36 7.209 9.544 -3.174 248 HG1 THR 36 HG1 THR 36 5.578 11.344 -3.608 249 HG21 THR 36 3HG2 THR 36 4.933 9.109 -1.412 250 HG22 THR 36 1HG2 THR 36 5.377 8.284 -2.905 251 HG23 THR 36 2HG2 THR 36 4.465 9.792 -2.969 252 H GLY 37 H GLY 37 8.401 11.708 0.431 253 HA2 GLY 37 1HA GLY 37 7.189 13.981 0.696 254 HA3 GLY 37 2HA GLY 37 5.919 12.973 1.373 255 H GLU 38 H GLU 38 6.031 12.366 3.468 256 HA GLU 38 HA GLU 38 8.011 13.637 5.115 257 HB2 GLU 38 1HB GLU 38 5.502 13.220 5.630 258 HB3 GLU 38 2HB GLU 38 6.027 11.612 6.106 259 HG2 GLU 38 1HG GLU 38 7.402 13.995 7.248 260 HG3 GLU 38 2HG GLU 38 5.822 13.519 7.868 261 H LYS 39 H LYS 39 10.004 12.776 5.021 262 HA LYS 39 HA LYS 39 10.931 10.347 4.415 263 HB2 LYS 39 1HB LYS 39 11.866 12.006 6.763 264 HB3 LYS 39 2HB LYS 39 12.782 10.691 6.038 265 HG2 LYS 39 1HG LYS 39 11.866 12.976 4.349 266 HG3 LYS 39 2HG LYS 39 13.293 13.143 5.374 267 HD2 LYS 39 1HD LYS 39 13.063 10.748 3.615 268 HD3 LYS 39 2HD LYS 39 13.490 12.298 2.886 269 HE2 LYS 39 1HE LYS 39 15.421 12.501 4.264 270 HE3 LYS 39 2HE LYS 39 14.928 11.134 5.262 271 HZ1 LYS 39 3HZ LYS 39 16.088 11.141 2.565 272 HZ2 LYS 39 1HZ LYS 39 15.058 9.873 3.007 273 HZ3 LYS 39 2HZ LYS 39 16.467 10.167 3.896 274 HA PRO 40 HA PRO 40 9.254 7.345 7.162 275 HB2 PRO 40 1HB PRO 40 11.140 5.411 6.894 276 HB3 PRO 40 2HB PRO 40 9.953 5.776 5.636 277 HG2 PRO 40 1HG PRO 40 12.810 6.645 5.855 278 HG3 PRO 40 2HG PRO 40 11.922 6.067 4.433 279 HD2 PRO 40 1HD PRO 40 12.388 8.695 4.892 280 HD3 PRO 40 2HD PRO 40 10.927 8.114 4.067 281 H SER 41 H SER 41 10.137 5.770 8.936 282 HA SER 41 HA SER 41 12.388 6.790 10.435 283 HB2 SER 41 1HB SER 41 9.608 6.917 11.628 284 HB3 SER 41 2HB SER 41 11.114 7.309 12.457 285 HG SER 41 HG SER 41 11.326 9.112 11.254 286 H GLY 42 H GLY 42 13.419 4.965 10.905 287 HA2 GLY 42 1HA GLY 42 12.853 3.100 12.716 288 HA3 GLY 42 2HA GLY 42 11.919 2.506 11.350 289 HA PRO 43 HA PRO 43 16.102 0.587 11.065 290 HB2 PRO 43 1HB PRO 43 15.171 -1.854 10.323 291 HB3 PRO 43 2HB PRO 43 15.313 -1.352 12.012 292 HG2 PRO 43 1HG PRO 43 12.898 -1.389 10.243 293 HG3 PRO 43 2HG PRO 43 13.052 -1.890 11.937 294 HD2 PRO 43 1HD PRO 43 12.007 0.501 11.215 295 HD3 PRO 43 2HD PRO 43 12.919 0.273 12.721 296 H SER 44 H SER 44 13.407 0.982 8.939 297 HA SER 44 HA SER 44 13.172 0.880 6.660 298 HB2 SER 44 1HB SER 44 14.698 2.300 5.486 299 HB3 SER 44 2HB SER 44 14.545 2.958 7.115 300 HG SER 44 HG SER 44 16.606 2.687 7.328 301 H SER 45 H SER 45 13.934 -1.589 7.624 302 HA SER 45 HA SER 45 15.716 -2.549 5.483 303 HB2 SER 45 1HB SER 45 16.621 -2.636 7.906 304 HB3 SER 45 2HB SER 45 15.471 -3.953 8.134 305 HG SER 45 HG SER 45 16.497 -4.941 6.257 306 H GLY 46 H GLY 46 15.281 -4.701 4.703 307 HA2 GLY 46 1HA GLY 46 12.628 -5.767 5.378 308 HA3 GLY 46 2HA GLY 46 12.974 -5.362 3.703 Start of MODEL 13 1 H1 GLY 1 H GLY 1 5.006 -35.330 6.106 2 HA2 GLY 1 1HA GLY 1 6.752 -33.307 6.952 3 HA3 GLY 1 2HA GLY 1 6.619 -33.208 5.203 4 H SER 2 H SER 2 5.603 -31.192 5.286 5 HA SER 2 HA SER 2 2.835 -31.262 6.298 6 HB2 SER 2 1HB SER 2 4.757 -28.926 6.196 7 HB3 SER 2 2HB SER 2 3.043 -28.783 6.590 8 HG SER 2 HG SER 2 3.488 -29.418 8.534 9 H SER 3 H SER 3 1.447 -29.544 5.173 10 HA SER 3 HA SER 3 1.940 -29.755 2.281 11 HB2 SER 3 1HB SER 3 -0.654 -29.357 3.791 12 HB3 SER 3 2HB SER 3 -0.508 -29.427 2.035 13 HG SER 3 HG SER 3 -1.089 -31.447 3.068 14 H GLY 4 H GLY 4 0.414 -27.526 4.618 15 HA2 GLY 4 1HA GLY 4 1.584 -25.242 4.522 16 HA3 GLY 4 2HA GLY 4 1.133 -25.302 2.825 17 H SER 5 H SER 5 0.007 -24.872 6.086 18 HA SER 5 HA SER 5 -2.750 -24.501 5.237 19 HB2 SER 5 1HB SER 5 -1.423 -24.326 7.950 20 HB3 SER 5 2HB SER 5 -3.144 -24.052 7.677 21 HG SER 5 HG SER 5 -1.916 -26.420 6.779 22 H SER 6 H SER 6 -3.599 -22.606 4.695 23 HA SER 6 HA SER 6 -2.356 -20.141 5.694 24 HB2 SER 6 1HB SER 6 -3.100 -20.685 2.809 25 HB3 SER 6 2HB SER 6 -2.607 -19.115 3.444 26 HG SER 6 HG SER 6 -0.919 -21.263 3.960 27 H GLY 7 H GLY 7 -3.754 -18.292 5.696 28 HA2 GLY 7 1HA GLY 7 -6.416 -18.260 4.863 29 HA3 GLY 7 2HA GLY 7 -6.397 -18.888 6.504 30 H THR 8 H THR 8 -4.346 -16.394 5.043 31 HA THR 8 HA THR 8 -5.018 -14.610 7.245 32 HB THR 8 HB THR 8 -2.649 -14.880 6.637 33 HG1 THR 8 HG1 THR 8 -2.273 -12.530 6.324 34 HG21 THR 8 3HG2 THR 8 -2.057 -13.509 4.456 35 HG22 THR 8 1HG2 THR 8 -3.671 -14.026 3.973 36 HG23 THR 8 2HG2 THR 8 -2.445 -15.227 4.380 37 H GLY 9 H GLY 9 -5.922 -12.573 7.009 38 HA2 GLY 9 1HA GLY 9 -7.908 -12.232 5.092 39 HA3 GLY 9 2HA GLY 9 -7.243 -10.941 6.082 40 H GLU 10 H GLU 10 -7.967 -11.523 3.061 41 HA GLU 10 HA GLU 10 -5.524 -10.289 1.967 42 HB2 GLU 10 1HB GLU 10 -6.156 -11.220 -0.203 43 HB3 GLU 10 2HB GLU 10 -6.002 -12.489 1.003 44 HG2 GLU 10 1HG GLU 10 -8.575 -12.141 1.272 45 HG3 GLU 10 2HG GLU 10 -8.442 -11.433 -0.337 46 H LYS 11 H LYS 11 -5.989 -8.147 2.206 47 HA LYS 11 HA LYS 11 -8.564 -7.075 1.468 48 HB2 LYS 11 1HB LYS 11 -6.045 -5.998 2.632 49 HB3 LYS 11 2HB LYS 11 -7.102 -4.867 1.797 50 HG2 LYS 11 1HG LYS 11 -7.617 -4.836 4.133 51 HG3 LYS 11 2HG LYS 11 -8.959 -5.586 3.266 52 HD2 LYS 11 1HD LYS 11 -6.813 -7.351 4.326 53 HD3 LYS 11 2HD LYS 11 -7.955 -6.649 5.475 54 HE2 LYS 11 1HE LYS 11 -9.814 -7.558 4.130 55 HE3 LYS 11 2HE LYS 11 -8.640 -8.312 3.052 56 HZ1 LYS 11 3HZ LYS 11 -9.710 -9.407 5.325 57 HZ2 LYS 11 1HZ LYS 11 -8.137 -8.975 5.776 58 HZ3 LYS 11 2HZ LYS 11 -8.387 -9.997 4.452 59 HA PRO 12 HA PRO 12 -7.713 -6.265 -2.772 60 HB2 PRO 12 1HB PRO 12 -9.417 -4.191 -3.180 61 HB3 PRO 12 2HB PRO 12 -9.963 -5.862 -2.996 62 HG2 PRO 12 1HG PRO 12 -9.903 -3.654 -0.975 63 HG3 PRO 12 2HG PRO 12 -11.176 -4.847 -1.290 64 HD2 PRO 12 1HD PRO 12 -9.426 -5.092 0.762 65 HD3 PRO 12 2HD PRO 12 -10.103 -6.496 -0.088 66 H TYR 13 H TYR 13 -6.804 -4.240 -0.283 67 HA TYR 13 HA TYR 13 -5.525 -2.342 -2.140 68 HB2 TYR 13 1HB TYR 13 -6.292 -1.916 0.755 69 HB3 TYR 13 2HB TYR 13 -5.470 -0.741 -0.265 70 HD1 TYR 13 HD2 TYR 13 -8.653 -2.500 0.324 71 HD2 TYR 13 HD1 TYR 13 -6.676 0.559 -1.875 72 HE1 TYR 13 HE2 TYR 13 -10.831 -1.644 -0.433 73 HE2 TYR 13 HE1 TYR 13 -8.849 1.425 -2.636 74 HH TYR 13 HH TYR 13 -11.695 -0.290 -2.400 75 H LYS 14 H LYS 14 -3.395 -2.477 -2.297 76 HA LYS 14 HA LYS 14 -1.794 -3.232 0.017 77 HB2 LYS 14 1HB LYS 14 -2.049 -5.387 -0.902 78 HB3 LYS 14 2HB LYS 14 -1.914 -4.793 -2.552 79 HG2 LYS 14 1HG LYS 14 0.431 -4.403 -2.291 80 HG3 LYS 14 2HG LYS 14 0.346 -4.762 -0.565 81 HD2 LYS 14 1HD LYS 14 -0.645 -7.049 -1.472 82 HD3 LYS 14 2HD LYS 14 0.291 -6.601 -2.900 83 HE2 LYS 14 1HE LYS 14 1.805 -7.848 -1.666 84 HE3 LYS 14 2HE LYS 14 2.212 -6.192 -1.220 85 HZ1 LYS 14 3HZ LYS 14 0.414 -6.759 0.644 86 HZ2 LYS 14 1HZ LYS 14 2.069 -7.049 0.843 87 HZ3 LYS 14 2HZ LYS 14 1.039 -8.310 0.387 88 H CYS 15 H CYS 15 0.092 -2.154 0.105 89 HA CYS 15 HA CYS 15 0.608 -0.104 -1.816 90 HB2 CYS 15 1HB CYS 15 1.120 0.391 0.458 91 HB3 CYS 15 2HB CYS 15 2.102 -1.061 0.624 92 H ASN 16 H ASN 16 2.504 0.166 -3.085 93 HA ASN 16 HA ASN 16 3.639 -2.391 -3.981 94 HB2 ASN 16 1HB ASN 16 3.498 0.290 -5.380 95 HB3 ASN 16 2HB ASN 16 4.236 -1.161 -6.054 96 HD21 ASN 16 1HD2 ASN 16 1.333 0.540 -5.454 97 HD22 ASN 16 2HD2 ASN 16 0.252 -0.589 -6.192 98 H GLU 17 H GLU 17 4.455 0.755 -2.711 99 HA GLU 17 HA GLU 17 7.184 0.841 -3.257 100 HB2 GLU 17 1HB GLU 17 5.651 1.895 -0.877 101 HB3 GLU 17 2HB GLU 17 7.331 2.287 -1.213 102 HG2 GLU 17 1HG GLU 17 5.259 2.777 -3.299 103 HG3 GLU 17 2HG GLU 17 5.432 3.900 -1.951 104 H CYS 18 H CYS 18 5.590 -0.338 -0.290 105 HA CYS 18 HA CYS 18 8.038 -1.851 0.325 106 HB2 CYS 18 1HB CYS 18 7.197 -1.918 2.650 107 HB3 CYS 18 2HB CYS 18 7.417 -0.271 2.068 108 H GLY 19 H GLY 19 4.501 -2.090 0.233 109 HA2 GLY 19 1HA GLY 19 3.610 -4.126 -0.841 110 HA3 GLY 19 2HA GLY 19 4.814 -5.025 0.070 111 H LYS 20 H LYS 20 3.267 -2.416 1.684 112 HA LYS 20 HA LYS 20 2.195 -4.136 3.678 113 HB2 LYS 20 1HB LYS 20 2.968 -1.602 3.757 114 HB3 LYS 20 2HB LYS 20 1.268 -1.311 3.413 115 HG2 LYS 20 1HG LYS 20 0.579 -2.076 5.447 116 HG3 LYS 20 2HG LYS 20 1.948 -3.176 5.622 117 HD2 LYS 20 1HD LYS 20 3.415 -1.386 6.184 118 HD3 LYS 20 2HD LYS 20 2.210 -0.176 5.735 119 HE2 LYS 20 1HE LYS 20 1.945 -0.162 8.002 120 HE3 LYS 20 2HE LYS 20 0.787 -1.421 7.576 121 HZ1 LYS 20 3HZ LYS 20 2.095 -3.047 8.436 122 HZ2 LYS 20 1HZ LYS 20 2.590 -1.776 9.437 123 HZ3 LYS 20 2HZ LYS 20 3.543 -2.233 8.117 124 H VAL 21 H VAL 21 -0.176 -3.718 4.417 125 HA VAL 21 HA VAL 21 -1.974 -3.697 2.093 126 HB VAL 21 HB VAL 21 -1.931 -5.774 4.282 127 HG11 VAL 21 1HG1 VAL 21 -4.079 -5.005 2.348 128 HG12 VAL 21 2HG1 VAL 21 -3.925 -6.677 2.891 129 HG13 VAL 21 3HG1 VAL 21 -4.205 -5.390 4.064 130 HG21 VAL 21 3HG2 VAL 21 -1.740 -7.345 2.400 131 HG22 VAL 21 1HG2 VAL 21 -1.693 -5.983 1.282 132 HG23 VAL 21 2HG2 VAL 21 -0.393 -6.209 2.451 133 H PHE 22 H PHE 22 -4.071 -2.971 2.489 134 HA PHE 22 HA PHE 22 -4.743 -2.099 5.192 135 HB2 PHE 22 1HB PHE 22 -4.908 -0.183 2.863 136 HB3 PHE 22 2HB PHE 22 -5.196 0.168 4.564 137 HD1 PHE 22 HD2 PHE 22 -2.586 -0.727 2.107 138 HD2 PHE 22 HD1 PHE 22 -3.437 0.779 5.996 139 HE1 PHE 22 HE2 PHE 22 -0.228 -0.073 2.366 140 HE2 PHE 22 HE1 PHE 22 -1.081 1.437 6.261 141 HZ PHE 22 HZ PHE 22 0.527 1.010 4.445 142 H THR 23 H THR 23 -7.026 -1.219 5.259 143 HA THR 23 HA THR 23 -8.709 -2.897 3.534 144 HB THR 23 HB THR 23 -9.563 -1.521 6.081 145 HG1 THR 23 HG1 THR 23 -8.071 -2.915 6.829 146 HG21 THR 23 3HG2 THR 23 -11.191 -2.493 4.277 147 HG22 THR 23 1HG2 THR 23 -11.475 -2.815 5.987 148 HG23 THR 23 2HG2 THR 23 -10.720 -4.044 4.972 149 H GLN 24 H GLN 24 -7.977 0.382 4.334 150 HA GLN 24 HA GLN 24 -10.249 1.300 2.701 151 HB2 GLN 24 1HB GLN 24 -8.736 3.189 4.439 152 HB3 GLN 24 2HB GLN 24 -10.435 3.199 3.986 153 HG2 GLN 24 1HG GLN 24 -9.205 1.232 5.900 154 HG3 GLN 24 2HG GLN 24 -10.018 2.719 6.382 155 HE21 GLN 24 1HE2 GLN 24 -12.177 2.825 4.803 156 HE22 GLN 24 2HE2 GLN 24 -13.209 1.467 5.074 157 H ASN 25 H ASN 25 -9.859 3.178 1.328 158 HA ASN 25 HA ASN 25 -7.406 2.883 -0.135 159 HB2 ASN 25 1HB ASN 25 -9.765 3.399 -1.065 160 HB3 ASN 25 2HB ASN 25 -9.425 5.064 -0.602 161 HD21 ASN 25 1HD2 ASN 25 -9.708 5.394 -2.931 162 HD22 ASN 25 2HD2 ASN 25 -8.339 5.184 -3.964 163 H SER 26 H SER 26 -8.744 5.179 2.140 164 HA SER 26 HA SER 26 -6.840 7.243 1.685 165 HB2 SER 26 1HB SER 26 -8.552 6.688 4.121 166 HB3 SER 26 2HB SER 26 -7.675 8.186 3.808 167 HG SER 26 HG SER 26 -9.952 8.167 3.188 168 H HIS 27 H HIS 27 -7.102 4.667 4.115 169 HA HIS 27 HA HIS 27 -4.835 5.317 5.612 170 HB2 HIS 27 1HB HIS 27 -6.046 2.594 5.090 171 HB3 HIS 27 2HB HIS 27 -4.883 2.958 6.361 172 HD1 HIS 27 HD1 HIS 27 -6.796 2.089 8.004 173 HD2 HIS 27 HD2 HIS 27 -7.607 5.635 5.997 174 HE1 HIS 27 HE1 HIS 27 -8.718 3.137 9.241 175 H LEU 28 H LEU 28 -5.170 3.646 2.568 176 HA LEU 28 HA LEU 28 -2.489 2.614 2.544 177 HB2 LEU 28 1HB LEU 28 -3.786 1.308 1.214 178 HB3 LEU 28 2HB LEU 28 -4.802 2.653 0.699 179 HG LEU 28 HG LEU 28 -2.950 3.388 -0.801 180 HD11 LEU 28 1HD1 LEU 28 -0.931 2.552 -0.369 181 HD12 LEU 28 2HD1 LEU 28 -1.487 1.084 -1.171 182 HD13 LEU 28 3HD1 LEU 28 -1.592 1.223 0.583 183 HD21 LEU 28 3HD2 LEU 28 -4.486 0.877 -1.063 184 HD22 LEU 28 1HD2 LEU 28 -3.186 1.133 -2.228 185 HD23 LEU 28 2HD2 LEU 28 -4.481 2.321 -2.078 186 H ALA 29 H ALA 29 -4.173 5.178 0.727 187 HA ALA 29 HA ALA 29 -1.992 6.152 -0.690 188 HB1 ALA 29 3HB ALA 29 -3.670 8.340 0.038 189 HB2 ALA 29 1HB ALA 29 -3.560 7.491 -1.504 190 HB3 ALA 29 2HB ALA 29 -4.674 6.921 -0.260 191 H ARG 30 H ARG 30 -3.314 7.445 2.365 192 HA ARG 30 HA ARG 30 -1.399 9.376 2.847 193 HB2 ARG 30 1HB ARG 30 -2.158 9.432 5.075 194 HB3 ARG 30 2HB ARG 30 -3.548 8.896 4.139 195 HG2 ARG 30 1HG ARG 30 -3.131 6.595 4.796 196 HG3 ARG 30 2HG ARG 30 -1.697 7.100 5.693 197 HD2 ARG 30 1HD ARG 30 -3.281 8.641 6.987 198 HD3 ARG 30 2HD ARG 30 -4.583 7.682 6.283 199 HE ARG 30 HE ARG 30 -4.091 6.023 7.769 200 HH11 ARG 30 1HH1 ARG 30 -1.342 8.143 7.515 201 HH12 ARG 30 2HH1 ARG 30 -0.456 7.360 8.782 202 HH21 ARG 30 1HH2 ARG 30 -2.936 4.983 9.438 203 HH22 ARG 30 2HH2 ARG 30 -1.363 5.562 9.874 204 H HIS 31 H HIS 31 -1.227 5.918 3.322 205 HA HIS 31 HA HIS 31 1.097 5.905 4.956 206 HB2 HIS 31 1HB HIS 31 -0.017 3.895 5.100 207 HB3 HIS 31 2HB HIS 31 -0.422 3.873 3.386 208 HD1 HIS 31 HD1 HIS 31 2.534 3.272 5.676 209 HD2 HIS 31 HD2 HIS 31 1.237 2.355 1.837 210 HE1 HIS 31 HE1 HIS 31 4.210 1.627 4.775 211 H ARG 32 H ARG 32 0.603 5.392 1.470 212 HA ARG 32 HA ARG 32 3.152 4.844 0.653 213 HB2 ARG 32 1HB ARG 32 0.921 6.381 -0.627 214 HB3 ARG 32 2HB ARG 32 2.479 6.270 -1.434 215 HG2 ARG 32 1HG ARG 32 2.305 3.970 -1.728 216 HG3 ARG 32 2HG ARG 32 1.066 3.811 -0.481 217 HD2 ARG 32 1HD ARG 32 -0.032 3.565 -2.568 218 HD3 ARG 32 2HD ARG 32 -0.446 5.168 -1.963 219 HE ARG 32 HE ARG 32 1.671 5.691 -3.522 220 HH11 ARG 32 1HH1 ARG 32 -1.214 3.821 -4.070 221 HH12 ARG 32 2HH1 ARG 32 -1.251 4.136 -5.773 222 HH21 ARG 32 1HH2 ARG 32 1.633 6.113 -5.763 223 HH22 ARG 32 2HH2 ARG 32 0.369 5.439 -6.736 224 H GLY 33 H GLY 33 1.999 7.765 2.035 225 HA2 GLY 33 1HA GLY 33 3.820 9.616 0.950 226 HA3 GLY 33 2HA GLY 33 3.011 9.771 2.503 227 H ILE 34 H ILE 34 4.105 7.390 3.669 228 HA ILE 34 HA ILE 34 6.368 8.376 4.905 229 HB ILE 34 HB ILE 34 6.712 6.241 5.849 230 HG12 ILE 34 1HG1 ILE 34 5.073 5.043 3.606 231 HG13 ILE 34 2HG1 ILE 34 6.832 5.023 3.673 232 HG21 ILE 34 1HG2 ILE 34 4.158 7.376 5.708 233 HG22 ILE 34 2HG2 ILE 34 3.920 5.636 5.550 234 HG23 ILE 34 3HG2 ILE 34 4.781 6.285 6.945 235 HD11 ILE 34 3HD1 ILE 34 4.856 3.520 5.315 236 HD12 ILE 34 1HD1 ILE 34 6.299 2.945 4.481 237 HD13 ILE 34 2HD1 ILE 34 6.453 3.873 5.973 238 H HIS 35 H HIS 35 6.070 6.848 1.822 239 HA HIS 35 HA HIS 35 8.898 6.251 1.601 240 HB2 HIS 35 1HB HIS 35 6.754 6.126 -0.529 241 HB3 HIS 35 2HB HIS 35 8.359 5.406 -0.611 242 HD1 HIS 35 HD1 HIS 35 8.691 3.724 1.714 243 HD2 HIS 35 HD2 HIS 35 4.941 4.209 -0.007 244 HE1 HIS 35 HE1 HIS 35 7.345 1.738 2.466 245 H THR 36 H THR 36 6.587 8.598 0.327 246 HA THR 36 HA THR 36 8.669 9.958 -1.183 247 HB THR 36 HB THR 36 6.817 11.527 -1.823 248 HG1 THR 36 HG1 THR 36 4.665 10.696 -1.311 249 HG21 THR 36 3HG2 THR 36 6.466 8.574 -2.326 250 HG22 THR 36 1HG2 THR 36 7.338 9.739 -3.323 251 HG23 THR 36 2HG2 THR 36 5.581 9.826 -3.197 252 H GLY 37 H GLY 37 9.414 10.037 1.388 253 HA2 GLY 37 1HA GLY 37 8.664 12.746 2.301 254 HA3 GLY 37 2HA GLY 37 9.161 11.450 3.379 255 H GLU 38 H GLU 38 11.368 10.829 3.439 256 HA GLU 38 HA GLU 38 13.202 12.813 2.264 257 HB2 GLU 38 1HB GLU 38 13.392 11.518 4.989 258 HB3 GLU 38 2HB GLU 38 14.606 12.577 4.286 259 HG2 GLU 38 1HG GLU 38 11.767 13.434 4.754 260 HG3 GLU 38 2HG GLU 38 13.042 13.625 5.955 261 H LYS 39 H LYS 39 13.382 11.240 0.517 262 HA LYS 39 HA LYS 39 14.263 8.618 0.791 263 HB2 LYS 39 1HB LYS 39 14.307 10.653 -1.358 264 HB3 LYS 39 2HB LYS 39 15.451 9.329 -1.532 265 HG2 LYS 39 1HG LYS 39 13.676 8.432 -2.624 266 HG3 LYS 39 2HG LYS 39 13.309 7.879 -0.989 267 HD2 LYS 39 1HD LYS 39 11.281 8.762 -1.630 268 HD3 LYS 39 2HD LYS 39 12.020 10.151 -0.830 269 HE2 LYS 39 1HE LYS 39 12.178 9.655 -3.797 270 HE3 LYS 39 2HE LYS 39 10.923 10.635 -3.040 271 HZ1 LYS 39 3HZ LYS 39 13.789 11.194 -3.339 272 HZ2 LYS 39 1HZ LYS 39 12.969 11.844 -2.009 273 HZ3 LYS 39 2HZ LYS 39 12.463 12.216 -3.579 274 HA PRO 40 HA PRO 40 18.817 10.172 0.419 275 HB2 PRO 40 1HB PRO 40 19.246 12.849 0.576 276 HB3 PRO 40 2HB PRO 40 18.939 12.013 -0.951 277 HG2 PRO 40 1HG PRO 40 17.050 13.578 0.766 278 HG3 PRO 40 2HG PRO 40 17.228 13.588 -0.998 279 HD2 PRO 40 1HD PRO 40 15.265 12.212 0.260 280 HD3 PRO 40 2HD PRO 40 15.997 11.657 -1.259 281 H SER 41 H SER 41 19.279 9.357 2.403 282 HA SER 41 HA SER 41 18.574 10.825 4.806 283 HB2 SER 41 1HB SER 41 18.321 8.388 4.797 284 HB3 SER 41 2HB SER 41 20.040 8.198 4.453 285 HG SER 41 HG SER 41 20.493 8.589 6.480 286 H GLY 42 H GLY 42 20.010 11.753 6.240 287 HA2 GLY 42 1HA GLY 42 22.200 12.225 7.062 288 HA3 GLY 42 2HA GLY 42 22.851 11.779 5.491 289 HA PRO 43 HA PRO 43 21.805 16.471 5.977 290 HB2 PRO 43 1HB PRO 43 24.016 17.423 7.233 291 HB3 PRO 43 2HB PRO 43 22.558 16.925 8.100 292 HG2 PRO 43 1HG PRO 43 25.107 15.419 7.659 293 HG3 PRO 43 2HG PRO 43 24.130 15.558 9.133 294 HD2 PRO 43 1HD PRO 43 24.026 13.389 7.515 295 HD3 PRO 43 2HD PRO 43 22.619 13.965 8.432 296 H SER 44 H SER 44 22.180 17.179 3.976 297 HA SER 44 HA SER 44 24.431 16.436 2.426 298 HB2 SER 44 1HB SER 44 22.401 16.953 1.273 299 HB3 SER 44 2HB SER 44 22.301 18.543 2.030 300 HG SER 44 HG SER 44 23.169 19.007 0.116 301 H SER 45 H SER 45 26.410 17.068 3.032 302 HA SER 45 HA SER 45 27.060 19.387 4.443 303 HB2 SER 45 1HB SER 45 29.409 18.948 3.466 304 HB3 SER 45 2HB SER 45 28.685 17.685 4.461 305 HG SER 45 HG SER 45 29.019 17.777 1.667 306 H GLY 46 H GLY 46 26.276 18.959 1.140 307 HA2 GLY 46 1HA GLY 46 26.573 20.316 -0.728 308 HA3 GLY 46 2HA GLY 46 25.881 21.490 0.381 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -8.877 -21.690 -20.831 2 HA2 GLY 1 1HA GLY 1 -6.875 -23.144 -21.459 3 HA3 GLY 1 2HA GLY 1 -5.935 -21.720 -21.036 4 H SER 2 H SER 2 -6.824 -24.636 -19.930 5 HA SER 2 HA SER 2 -7.784 -24.455 -17.392 6 HB2 SER 2 1HB SER 2 -6.722 -26.524 -16.911 7 HB3 SER 2 2HB SER 2 -7.024 -26.543 -18.648 8 HG SER 2 HG SER 2 -4.965 -26.947 -18.771 9 H SER 3 H SER 3 -6.862 -24.267 -15.302 10 HA SER 3 HA SER 3 -4.154 -23.329 -14.995 11 HB2 SER 3 1HB SER 3 -5.532 -21.301 -15.713 12 HB3 SER 3 2HB SER 3 -6.353 -21.437 -14.158 13 HG SER 3 HG SER 3 -4.442 -20.003 -14.292 14 H GLY 4 H GLY 4 -3.622 -22.908 -12.694 15 HA2 GLY 4 1HA GLY 4 -5.436 -23.638 -10.627 16 HA3 GLY 4 2HA GLY 4 -4.393 -24.991 -11.041 17 H SER 5 H SER 5 -4.634 -21.956 -9.443 18 HA SER 5 HA SER 5 -1.958 -22.362 -8.325 19 HB2 SER 5 1HB SER 5 -1.490 -20.718 -9.975 20 HB3 SER 5 2HB SER 5 -2.964 -19.823 -9.609 21 HG SER 5 HG SER 5 -0.662 -20.091 -7.973 22 H SER 6 H SER 6 -1.622 -21.276 -6.285 23 HA SER 6 HA SER 6 -3.946 -21.379 -4.627 24 HB2 SER 6 1HB SER 6 -2.472 -21.065 -2.797 25 HB3 SER 6 2HB SER 6 -1.556 -22.012 -3.970 26 HG SER 6 HG SER 6 -0.497 -20.099 -2.973 27 H GLY 7 H GLY 7 -4.781 -19.674 -3.308 28 HA2 GLY 7 1HA GLY 7 -4.513 -17.038 -4.604 29 HA3 GLY 7 2HA GLY 7 -5.948 -17.600 -3.759 30 H THR 8 H THR 8 -3.258 -15.668 -3.535 31 HA THR 8 HA THR 8 -2.641 -15.959 -0.765 32 HB THR 8 HB THR 8 -1.408 -13.843 -1.007 33 HG1 THR 8 HG1 THR 8 -2.048 -12.502 -2.502 34 HG21 THR 8 3HG2 THR 8 -0.806 -16.243 -2.166 35 HG22 THR 8 1HG2 THR 8 0.297 -14.872 -2.054 36 HG23 THR 8 2HG2 THR 8 -0.639 -15.133 -3.526 37 H GLY 9 H GLY 9 -3.412 -14.886 0.992 38 HA2 GLY 9 1HA GLY 9 -5.980 -13.607 0.729 39 HA3 GLY 9 2HA GLY 9 -5.112 -13.911 2.227 40 H GLU 10 H GLU 10 -4.691 -11.921 -0.707 41 HA GLU 10 HA GLU 10 -3.736 -9.743 1.019 42 HB2 GLU 10 1HB GLU 10 -2.762 -8.779 -1.012 43 HB3 GLU 10 2HB GLU 10 -2.190 -10.421 -0.749 44 HG2 GLU 10 1HG GLU 10 -3.706 -11.259 -2.432 45 HG3 GLU 10 2HG GLU 10 -4.390 -9.649 -2.652 46 H LYS 11 H LYS 11 -4.281 -7.501 0.131 47 HA LYS 11 HA LYS 11 -7.120 -7.456 -0.661 48 HB2 LYS 11 1HB LYS 11 -5.583 -5.845 1.335 49 HB3 LYS 11 2HB LYS 11 -6.949 -5.102 0.515 50 HG2 LYS 11 1HG LYS 11 -7.868 -5.943 2.471 51 HG3 LYS 11 2HG LYS 11 -8.271 -7.168 1.265 52 HD2 LYS 11 1HD LYS 11 -6.072 -8.299 2.021 53 HD3 LYS 11 2HD LYS 11 -6.213 -7.263 3.443 54 HE2 LYS 11 1HE LYS 11 -8.525 -8.938 2.543 55 HE3 LYS 11 2HE LYS 11 -7.227 -9.648 3.501 56 HZ1 LYS 11 3HZ LYS 11 -9.152 -7.551 4.262 57 HZ2 LYS 11 1HZ LYS 11 -7.662 -7.664 5.056 58 HZ3 LYS 11 2HZ LYS 11 -8.738 -8.968 5.087 59 HA PRO 12 HA PRO 12 -6.150 -4.968 -4.142 60 HB2 PRO 12 1HB PRO 12 -8.256 -3.256 -4.224 61 HB3 PRO 12 2HB PRO 12 -8.393 -4.969 -4.641 62 HG2 PRO 12 1HG PRO 12 -9.096 -3.580 -2.085 63 HG3 PRO 12 2HG PRO 12 -9.996 -4.831 -2.962 64 HD2 PRO 12 1HD PRO 12 -8.473 -5.382 -0.791 65 HD3 PRO 12 2HD PRO 12 -8.689 -6.535 -2.124 66 H TYR 13 H TYR 13 -6.178 -3.671 -1.032 67 HA TYR 13 HA TYR 13 -5.204 -1.061 -1.983 68 HB2 TYR 13 1HB TYR 13 -6.191 -1.794 0.781 69 HB3 TYR 13 2HB TYR 13 -5.745 -0.186 0.223 70 HD1 TYR 13 HD2 TYR 13 -8.233 -2.894 -0.136 71 HD2 TYR 13 HD1 TYR 13 -7.281 1.164 -0.990 72 HE1 TYR 13 HE2 TYR 13 -10.554 -2.507 -0.851 73 HE2 TYR 13 HE1 TYR 13 -9.600 1.563 -1.707 74 HH TYR 13 HH TYR 13 -11.692 -0.727 -2.523 75 H LYS 14 H LYS 14 -3.591 -3.441 -1.991 76 HA LYS 14 HA LYS 14 -1.789 -3.197 0.270 77 HB2 LYS 14 1HB LYS 14 -2.096 -5.426 -0.434 78 HB3 LYS 14 2HB LYS 14 -1.907 -5.006 -2.131 79 HG2 LYS 14 1HG LYS 14 0.403 -4.838 -1.964 80 HG3 LYS 14 2HG LYS 14 0.359 -4.659 -0.208 81 HD2 LYS 14 1HD LYS 14 -0.730 -7.074 -0.370 82 HD3 LYS 14 2HD LYS 14 0.181 -7.110 -1.881 83 HE2 LYS 14 1HE LYS 14 2.237 -6.692 -0.724 84 HE3 LYS 14 2HE LYS 14 1.383 -6.405 0.792 85 HZ1 LYS 14 3HZ LYS 14 1.870 -8.546 1.165 86 HZ2 LYS 14 1HZ LYS 14 2.115 -8.903 -0.471 87 HZ3 LYS 14 2HZ LYS 14 0.547 -8.868 0.161 88 H CYS 15 H CYS 15 -0.089 -1.891 0.320 89 HA CYS 15 HA CYS 15 0.569 -0.128 -1.756 90 HB2 CYS 15 1HB CYS 15 1.153 0.536 0.436 91 HB3 CYS 15 2HB CYS 15 2.019 -0.965 0.748 92 H ASN 16 H ASN 16 2.465 0.012 -3.054 93 HA ASN 16 HA ASN 16 3.508 -2.627 -3.812 94 HB2 ASN 16 1HB ASN 16 3.058 -0.072 -5.311 95 HB3 ASN 16 2HB ASN 16 4.275 -1.208 -5.887 96 HD21 ASN 16 1HD2 ASN 16 2.880 -1.298 -7.774 97 HD22 ASN 16 2HD2 ASN 16 1.534 -2.382 -7.771 98 H GLU 17 H GLU 17 4.442 0.585 -2.790 99 HA GLU 17 HA GLU 17 7.151 0.577 -3.360 100 HB2 GLU 17 1HB GLU 17 5.553 1.805 -1.133 101 HB3 GLU 17 2HB GLU 17 7.301 1.985 -1.187 102 HG2 GLU 17 1HG GLU 17 5.586 2.706 -3.533 103 HG3 GLU 17 2HG GLU 17 5.856 3.833 -2.205 104 H CYS 18 H CYS 18 5.711 -0.312 -0.216 105 HA CYS 18 HA CYS 18 8.112 -1.896 0.360 106 HB2 CYS 18 1HB CYS 18 7.323 -1.864 2.703 107 HB3 CYS 18 2HB CYS 18 7.541 -0.243 2.052 108 H GLY 19 H GLY 19 4.563 -2.109 0.504 109 HA2 GLY 19 1HA GLY 19 3.633 -4.181 -0.522 110 HA3 GLY 19 2HA GLY 19 4.850 -5.050 0.400 111 H LYS 20 H LYS 20 3.018 -2.329 1.644 112 HA LYS 20 HA LYS 20 2.072 -3.964 3.835 113 HB2 LYS 20 1HB LYS 20 2.903 -1.460 3.841 114 HB3 LYS 20 2HB LYS 20 1.222 -1.124 3.445 115 HG2 LYS 20 1HG LYS 20 0.450 -1.891 5.480 116 HG3 LYS 20 2HG LYS 20 1.883 -2.880 5.768 117 HD2 LYS 20 1HD LYS 20 3.169 -1.048 6.406 118 HD3 LYS 20 2HD LYS 20 2.093 0.105 5.614 119 HE2 LYS 20 1HE LYS 20 1.801 0.280 7.992 120 HE3 LYS 20 2HE LYS 20 0.353 -0.444 7.295 121 HZ1 LYS 20 3HZ LYS 20 1.374 -2.649 7.896 122 HZ2 LYS 20 1HZ LYS 20 0.864 -1.697 9.198 123 HZ3 LYS 20 2HZ LYS 20 2.508 -1.792 8.813 124 H VAL 21 H VAL 21 -0.222 -3.828 4.535 125 HA VAL 21 HA VAL 21 -2.059 -3.714 2.232 126 HB VAL 21 HB VAL 21 -2.163 -5.719 4.490 127 HG11 VAL 21 1HG1 VAL 21 -4.226 -6.262 3.845 128 HG12 VAL 21 2HG1 VAL 21 -4.233 -4.752 2.932 129 HG13 VAL 21 3HG1 VAL 21 -3.775 -6.260 2.140 130 HG21 VAL 21 3HG2 VAL 21 -0.341 -6.233 2.987 131 HG22 VAL 21 1HG2 VAL 21 -1.659 -7.376 2.726 132 HG23 VAL 21 2HG2 VAL 21 -1.401 -6.052 1.590 133 H PHE 22 H PHE 22 -4.029 -2.782 2.562 134 HA PHE 22 HA PHE 22 -4.739 -1.955 5.283 135 HB2 PHE 22 1HB PHE 22 -4.755 -0.095 2.897 136 HB3 PHE 22 2HB PHE 22 -5.269 0.308 4.532 137 HD1 PHE 22 HD2 PHE 22 -2.390 -0.415 2.378 138 HD2 PHE 22 HD1 PHE 22 -3.679 0.786 6.252 139 HE1 PHE 22 HE2 PHE 22 -0.095 0.287 2.920 140 HE2 PHE 22 HE1 PHE 22 -1.386 1.490 6.801 141 HZ PHE 22 HZ PHE 22 0.410 1.240 5.134 142 H THR 23 H THR 23 -7.012 -1.060 5.350 143 HA THR 23 HA THR 23 -8.720 -2.793 3.725 144 HB THR 23 HB THR 23 -9.396 -1.191 6.200 145 HG1 THR 23 HG1 THR 23 -9.172 -4.013 5.966 146 HG21 THR 23 3HG2 THR 23 -11.111 -2.207 4.259 147 HG22 THR 23 1HG2 THR 23 -11.544 -1.725 5.899 148 HG23 THR 23 2HG2 THR 23 -11.144 -3.407 5.550 149 H GLN 24 H GLN 24 -8.405 0.603 4.700 150 HA GLN 24 HA GLN 24 -10.353 1.340 2.630 151 HB2 GLN 24 1HB GLN 24 -10.588 2.131 5.055 152 HB3 GLN 24 2HB GLN 24 -9.218 3.182 4.725 153 HG2 GLN 24 1HG GLN 24 -11.421 4.287 4.498 154 HG3 GLN 24 2HG GLN 24 -10.431 4.355 3.041 155 HE21 GLN 24 1HE2 GLN 24 -13.206 2.866 4.552 156 HE22 GLN 24 2HE2 GLN 24 -13.949 2.314 3.093 157 H ASN 25 H ASN 25 -9.885 3.021 1.147 158 HA ASN 25 HA ASN 25 -7.343 2.911 -0.012 159 HB2 ASN 25 1HB ASN 25 -8.118 4.893 -1.349 160 HB3 ASN 25 2HB ASN 25 -9.233 3.529 -1.359 161 HD21 ASN 25 1HD2 ASN 25 -11.252 3.791 -0.602 162 HD22 ASN 25 2HD2 ASN 25 -11.868 5.269 0.047 163 H SER 26 H SER 26 -8.814 5.375 2.072 164 HA SER 26 HA SER 26 -6.801 7.279 2.010 165 HB2 SER 26 1HB SER 26 -8.829 7.866 3.089 166 HB3 SER 26 2HB SER 26 -8.734 6.490 4.188 167 HG SER 26 HG SER 26 -6.608 8.262 4.278 168 H HIS 27 H HIS 27 -7.209 4.668 4.407 169 HA HIS 27 HA HIS 27 -4.953 5.065 5.916 170 HB2 HIS 27 1HB HIS 27 -5.923 2.325 5.100 171 HB3 HIS 27 2HB HIS 27 -5.111 2.777 6.596 172 HD1 HIS 27 HD1 HIS 27 -7.899 1.353 6.495 173 HD2 HIS 27 HD2 HIS 27 -7.300 5.439 6.953 174 HE1 HIS 27 HE1 HIS 27 -9.978 2.216 7.617 175 H LEU 28 H LEU 28 -5.209 3.574 2.749 176 HA LEU 28 HA LEU 28 -2.479 2.670 2.715 177 HB2 LEU 28 1HB LEU 28 -3.861 1.361 1.399 178 HB3 LEU 28 2HB LEU 28 -4.721 2.753 0.743 179 HG LEU 28 HG LEU 28 -2.676 3.302 -0.579 180 HD11 LEU 28 1HD1 LEU 28 -0.757 2.243 -0.256 181 HD12 LEU 28 2HD1 LEU 28 -1.525 0.676 -0.512 182 HD13 LEU 28 3HD1 LEU 28 -1.499 1.392 1.100 183 HD21 LEU 28 3HD2 LEU 28 -3.455 2.079 -2.298 184 HD22 LEU 28 1HD2 LEU 28 -4.704 1.599 -1.148 185 HD23 LEU 28 2HD2 LEU 28 -3.307 0.557 -1.419 186 H ALA 29 H ALA 29 -4.206 4.988 0.620 187 HA ALA 29 HA ALA 29 -2.144 6.168 -0.667 188 HB1 ALA 29 3HB ALA 29 -4.813 7.008 0.123 189 HB2 ALA 29 1HB ALA 29 -3.694 8.360 -0.050 190 HB3 ALA 29 2HB ALA 29 -3.952 7.250 -1.397 191 H ARG 30 H ARG 30 -3.342 7.208 2.528 192 HA ARG 30 HA ARG 30 -1.477 9.224 2.982 193 HB2 ARG 30 1HB ARG 30 -2.144 9.173 5.247 194 HB3 ARG 30 2HB ARG 30 -3.561 8.673 4.333 195 HG2 ARG 30 1HG ARG 30 -3.036 6.325 4.842 196 HG3 ARG 30 2HG ARG 30 -1.663 6.864 5.811 197 HD2 ARG 30 1HD ARG 30 -4.534 7.642 6.307 198 HD3 ARG 30 2HD ARG 30 -3.681 6.354 7.156 199 HE ARG 30 HE ARG 30 -3.435 9.178 7.601 200 HH11 ARG 30 1HH1 ARG 30 -1.840 6.096 7.879 201 HH12 ARG 30 2HH1 ARG 30 -0.789 6.608 9.158 202 HH21 ARG 30 1HH2 ARG 30 -2.057 9.864 9.284 203 HH22 ARG 30 2HH2 ARG 30 -0.915 8.752 9.957 204 H HIS 31 H HIS 31 -1.271 5.754 3.563 205 HA HIS 31 HA HIS 31 1.157 5.792 5.010 206 HB2 HIS 31 1HB HIS 31 0.076 3.777 5.266 207 HB3 HIS 31 2HB HIS 31 -0.440 3.717 3.583 208 HD1 HIS 31 HD1 HIS 31 2.555 3.026 5.762 209 HD2 HIS 31 HD2 HIS 31 1.235 2.333 1.884 210 HE1 HIS 31 HE1 HIS 31 4.207 1.412 4.768 211 H ARG 32 H ARG 32 0.456 5.225 1.570 212 HA ARG 32 HA ARG 32 2.973 4.676 0.627 213 HB2 ARG 32 1HB ARG 32 0.672 6.175 -0.596 214 HB3 ARG 32 2HB ARG 32 2.173 5.943 -1.482 215 HG2 ARG 32 1HG ARG 32 1.891 3.642 -1.608 216 HG3 ARG 32 2HG ARG 32 0.738 3.614 -0.272 217 HD2 ARG 32 1HD ARG 32 -0.528 3.278 -2.239 218 HD3 ARG 32 2HD ARG 32 -0.815 4.948 -1.751 219 HE ARG 32 HE ARG 32 1.229 5.174 -3.497 220 HH11 ARG 32 1HH1 ARG 32 -1.866 3.588 -3.655 221 HH12 ARG 32 2HH1 ARG 32 -2.032 3.797 -5.367 222 HH21 ARG 32 1HH2 ARG 32 1.022 5.455 -5.751 223 HH22 ARG 32 2HH2 ARG 32 -0.388 4.858 -6.558 224 H GLY 33 H GLY 33 1.855 7.597 2.014 225 HA2 GLY 33 1HA GLY 33 3.541 9.466 0.750 226 HA3 GLY 33 2HA GLY 33 2.841 9.642 2.352 227 H ILE 34 H ILE 34 4.107 7.235 3.399 228 HA ILE 34 HA ILE 34 6.426 8.337 4.471 229 HB ILE 34 HB ILE 34 6.904 6.215 5.418 230 HG12 ILE 34 1HG1 ILE 34 5.000 4.943 3.444 231 HG13 ILE 34 2HG1 ILE 34 6.747 4.974 3.230 232 HG21 ILE 34 1HG2 ILE 34 4.284 7.307 5.444 233 HG22 ILE 34 2HG2 ILE 34 4.148 5.551 5.523 234 HG23 ILE 34 3HG2 ILE 34 5.117 6.415 6.717 235 HD11 ILE 34 3HD1 ILE 34 5.090 3.276 4.921 236 HD12 ILE 34 1HD1 ILE 34 6.707 3.006 4.270 237 HD13 ILE 34 2HD1 ILE 34 6.496 3.950 5.745 238 H HIS 35 H HIS 35 5.916 6.948 1.403 239 HA HIS 35 HA HIS 35 8.742 6.337 0.996 240 HB2 HIS 35 1HB HIS 35 6.454 6.064 -0.962 241 HB3 HIS 35 2HB HIS 35 8.067 5.376 -1.119 242 HD1 HIS 35 HD1 HIS 35 8.599 3.782 1.217 243 HD2 HIS 35 HD2 HIS 35 4.715 4.154 -0.210 244 HE1 HIS 35 HE1 HIS 35 7.350 1.807 2.146 245 H THR 36 H THR 36 7.257 9.089 1.183 246 HA THR 36 HA THR 36 8.999 10.423 -0.664 247 HB THR 36 HB THR 36 7.376 10.038 -2.322 248 HG1 THR 36 HG1 THR 36 6.774 12.567 -1.145 249 HG21 THR 36 3HG2 THR 36 4.968 11.099 -1.202 250 HG22 THR 36 1HG2 THR 36 5.590 9.837 -0.141 251 HG23 THR 36 2HG2 THR 36 5.273 9.484 -1.839 252 H GLY 37 H GLY 37 8.769 12.817 -0.521 253 HA2 GLY 37 1HA GLY 37 7.923 13.546 2.205 254 HA3 GLY 37 2HA GLY 37 9.162 14.373 1.274 255 H GLU 38 H GLU 38 5.979 14.463 2.282 256 HA GLU 38 HA GLU 38 4.367 15.437 0.395 257 HB2 GLU 38 1HB GLU 38 3.888 15.400 2.850 258 HB3 GLU 38 2HB GLU 38 4.797 16.897 3.005 259 HG2 GLU 38 1HG GLU 38 3.211 17.984 1.463 260 HG3 GLU 38 2HG GLU 38 2.277 16.490 1.410 261 H LYS 39 H LYS 39 4.524 16.853 -1.200 262 HA LYS 39 HA LYS 39 6.429 19.081 -0.927 263 HB2 LYS 39 1HB LYS 39 5.376 17.741 -3.424 264 HB3 LYS 39 2HB LYS 39 6.472 19.116 -3.404 265 HG2 LYS 39 1HG LYS 39 7.950 17.525 -1.940 266 HG3 LYS 39 2HG LYS 39 6.988 16.266 -2.717 267 HD2 LYS 39 1HD LYS 39 7.622 17.153 -4.916 268 HD3 LYS 39 2HD LYS 39 8.598 18.395 -4.128 269 HE2 LYS 39 1HE LYS 39 9.029 15.443 -3.725 270 HE3 LYS 39 2HE LYS 39 9.859 16.381 -4.966 271 HZ1 LYS 39 3HZ LYS 39 11.057 17.548 -3.408 272 HZ2 LYS 39 1HZ LYS 39 10.969 16.026 -2.674 273 HZ3 LYS 39 2HZ LYS 39 9.946 17.272 -2.163 274 HA PRO 40 HA PRO 40 3.080 21.936 -1.042 275 HB2 PRO 40 1HB PRO 40 4.407 24.122 -1.953 276 HB3 PRO 40 2HB PRO 40 4.589 23.505 -0.307 277 HG2 PRO 40 1HG PRO 40 6.362 23.107 -2.685 278 HG3 PRO 40 2HG PRO 40 6.806 23.457 -1.005 279 HD2 PRO 40 1HD PRO 40 6.931 20.964 -2.055 280 HD3 PRO 40 2HD PRO 40 6.549 21.263 -0.347 281 H SER 41 H SER 41 1.556 22.637 -2.459 282 HA SER 41 HA SER 41 1.856 21.881 -5.225 283 HB2 SER 41 1HB SER 41 -0.442 23.111 -3.689 284 HB3 SER 41 2HB SER 41 -0.523 22.689 -5.400 285 HG SER 41 HG SER 41 0.157 20.842 -3.359 286 H GLY 42 H GLY 42 3.556 23.378 -5.790 287 HA2 GLY 42 1HA GLY 42 2.479 25.840 -6.854 288 HA3 GLY 42 2HA GLY 42 3.678 26.071 -5.590 289 HA PRO 43 HA PRO 43 5.875 25.849 -9.670 290 HB2 PRO 43 1HB PRO 43 7.428 28.030 -9.221 291 HB3 PRO 43 2HB PRO 43 5.809 28.132 -9.921 292 HG2 PRO 43 1HG PRO 43 6.684 28.599 -7.096 293 HG3 PRO 43 2HG PRO 43 5.546 29.534 -8.084 294 HD2 PRO 43 1HD PRO 43 4.732 27.745 -6.221 295 HD3 PRO 43 2HD PRO 43 3.815 28.058 -7.708 296 H SER 44 H SER 44 8.420 26.178 -9.888 297 HA SER 44 HA SER 44 9.614 24.155 -8.347 298 HB2 SER 44 1HB SER 44 10.808 26.289 -10.123 299 HB3 SER 44 2HB SER 44 11.768 25.014 -9.372 300 HG SER 44 HG SER 44 10.270 24.904 -11.592 301 H SER 45 H SER 45 10.142 27.679 -8.283 302 HA SER 45 HA SER 45 10.947 29.072 -6.674 303 HB2 SER 45 1HB SER 45 8.991 27.790 -5.466 304 HB3 SER 45 2HB SER 45 10.307 27.059 -4.548 305 HG SER 45 HG SER 45 9.211 29.468 -4.242 306 H GLY 46 H GLY 46 12.845 27.475 -7.911 307 HA2 GLY 46 1HA GLY 46 15.032 26.812 -7.701 308 HA3 GLY 46 2HA GLY 46 15.052 27.752 -6.216 Start of MODEL 15 1 H1 GLY 1 H GLY 1 2.031 -29.018 3.262 2 HA2 GLY 1 1HA GLY 1 1.482 -29.529 6.037 3 HA3 GLY 1 2HA GLY 1 3.086 -28.860 5.775 4 H SER 2 H SER 2 2.573 -27.102 3.689 5 HA SER 2 HA SER 2 1.851 -24.786 4.957 6 HB2 SER 2 1HB SER 2 1.740 -25.563 2.050 7 HB3 SER 2 2HB SER 2 1.287 -23.944 2.582 8 HG SER 2 HG SER 2 3.774 -25.129 2.433 9 H SER 3 H SER 3 0.029 -24.524 6.090 10 HA SER 3 HA SER 3 -2.517 -25.400 4.927 11 HB2 SER 3 1HB SER 3 -1.555 -24.890 7.706 12 HB3 SER 3 2HB SER 3 -3.269 -24.651 7.365 13 HG SER 3 HG SER 3 -1.866 -27.014 6.677 14 H GLY 4 H GLY 4 -4.372 -23.982 5.022 15 HA2 GLY 4 1HA GLY 4 -4.640 -21.415 5.749 16 HA3 GLY 4 2HA GLY 4 -3.643 -21.264 4.310 17 H SER 5 H SER 5 -4.751 -23.300 2.749 18 HA SER 5 HA SER 5 -6.400 -23.631 1.217 19 HB2 SER 5 1HB SER 5 -7.910 -23.133 3.747 20 HB3 SER 5 2HB SER 5 -8.810 -23.194 2.232 21 HG SER 5 HG SER 5 -7.355 -25.245 2.021 22 H SER 6 H SER 6 -5.127 -21.200 1.024 23 HA SER 6 HA SER 6 -6.999 -19.038 0.852 24 HB2 SER 6 1HB SER 6 -5.178 -17.727 0.058 25 HB3 SER 6 2HB SER 6 -4.493 -18.828 1.254 26 HG SER 6 HG SER 6 -4.014 -18.642 -1.434 27 H GLY 7 H GLY 7 -7.655 -17.950 -1.078 28 HA2 GLY 7 1HA GLY 7 -7.480 -19.548 -3.542 29 HA3 GLY 7 2HA GLY 7 -9.058 -19.064 -2.940 30 H THR 8 H THR 8 -5.901 -17.669 -3.810 31 HA THR 8 HA THR 8 -5.371 -15.562 -4.572 32 HB THR 8 HB THR 8 -7.649 -15.781 -6.490 33 HG1 THR 8 HG1 THR 8 -5.356 -17.427 -6.758 34 HG21 THR 8 3HG2 THR 8 -4.735 -15.399 -7.100 35 HG22 THR 8 1HG2 THR 8 -5.724 -14.061 -6.517 36 HG23 THR 8 2HG2 THR 8 -6.141 -14.873 -8.026 37 H GLY 9 H GLY 9 -6.795 -15.145 -2.337 38 HA2 GLY 9 1HA GLY 9 -8.627 -12.953 -3.094 39 HA3 GLY 9 2HA GLY 9 -8.937 -14.002 -1.719 40 H GLU 10 H GLU 10 -6.514 -11.743 -3.008 41 HA GLU 10 HA GLU 10 -5.632 -11.171 -0.277 42 HB2 GLU 10 1HB GLU 10 -4.462 -10.752 -2.992 43 HB3 GLU 10 2HB GLU 10 -3.960 -9.685 -1.688 44 HG2 GLU 10 1HG GLU 10 -3.318 -11.674 -0.366 45 HG3 GLU 10 2HG GLU 10 -3.715 -12.683 -1.756 46 H LYS 11 H LYS 11 -5.348 -8.942 0.402 47 HA LYS 11 HA LYS 11 -7.660 -7.399 0.088 48 HB2 LYS 11 1HB LYS 11 -5.726 -7.383 1.900 49 HB3 LYS 11 2HB LYS 11 -5.102 -6.085 0.890 50 HG2 LYS 11 1HG LYS 11 -6.417 -5.163 2.680 51 HG3 LYS 11 2HG LYS 11 -7.241 -4.893 1.142 52 HD2 LYS 11 1HD LYS 11 -8.780 -6.668 1.574 53 HD3 LYS 11 2HD LYS 11 -7.864 -7.192 2.989 54 HE2 LYS 11 1HE LYS 11 -9.615 -6.005 3.932 55 HE3 LYS 11 2HE LYS 11 -8.327 -4.803 3.871 56 HZ1 LYS 11 3HZ LYS 11 -9.340 -4.130 1.662 57 HZ2 LYS 11 1HZ LYS 11 -10.212 -3.723 3.054 58 HZ3 LYS 11 2HZ LYS 11 -10.691 -5.044 2.111 59 HA PRO 12 HA PRO 12 -6.923 -5.373 -3.770 60 HB2 PRO 12 1HB PRO 12 -8.808 -3.435 -3.523 61 HB3 PRO 12 2HB PRO 12 -9.204 -5.119 -3.887 62 HG2 PRO 12 1HG PRO 12 -9.308 -3.671 -1.268 63 HG3 PRO 12 2HG PRO 12 -10.476 -4.809 -1.965 64 HD2 PRO 12 1HD PRO 12 -8.683 -5.539 -0.072 65 HD3 PRO 12 2HD PRO 12 -9.246 -6.654 -1.334 66 H TYR 13 H TYR 13 -6.384 -4.032 -0.696 67 HA TYR 13 HA TYR 13 -5.127 -1.648 -1.888 68 HB2 TYR 13 1HB TYR 13 -6.124 -1.991 0.947 69 HB3 TYR 13 2HB TYR 13 -5.429 -0.528 0.259 70 HD1 TYR 13 HD2 TYR 13 -8.382 -2.699 0.352 71 HD2 TYR 13 HD1 TYR 13 -6.716 0.882 -1.229 72 HE1 TYR 13 HE2 TYR 13 -10.624 -1.973 -0.352 73 HE2 TYR 13 HE1 TYR 13 -8.953 1.618 -1.936 74 HH TYR 13 HH TYR 13 -11.135 1.184 -1.888 75 H LYS 14 H LYS 14 -3.111 -2.499 -2.279 76 HA LYS 14 HA LYS 14 -1.522 -3.097 0.116 77 HB2 LYS 14 1HB LYS 14 -1.865 -5.263 -0.750 78 HB3 LYS 14 2HB LYS 14 -1.687 -4.719 -2.413 79 HG2 LYS 14 1HG LYS 14 0.673 -4.407 -2.119 80 HG3 LYS 14 2HG LYS 14 0.545 -4.754 -0.393 81 HD2 LYS 14 1HD LYS 14 -0.436 -7.018 -1.153 82 HD3 LYS 14 2HD LYS 14 0.270 -6.623 -2.722 83 HE2 LYS 14 1HE LYS 14 1.993 -7.794 -1.764 84 HE3 LYS 14 2HE LYS 14 2.413 -6.150 -1.284 85 HZ1 LYS 14 3HZ LYS 14 2.101 -6.627 0.858 86 HZ2 LYS 14 1HZ LYS 14 2.157 -8.254 0.396 87 HZ3 LYS 14 2HZ LYS 14 0.666 -7.476 0.574 88 H CYS 15 H CYS 15 0.227 -1.859 0.242 89 HA CYS 15 HA CYS 15 0.881 0.069 -1.686 90 HB2 CYS 15 1HB CYS 15 1.445 0.294 0.699 91 HB3 CYS 15 2HB CYS 15 2.605 -1.021 0.549 92 H ASN 16 H ASN 16 2.208 0.082 -3.402 93 HA ASN 16 HA ASN 16 3.517 -2.435 -4.113 94 HB2 ASN 16 1HB ASN 16 1.916 -0.974 -5.635 95 HB3 ASN 16 2HB ASN 16 3.408 -0.103 -5.976 96 HD21 ASN 16 1HD2 ASN 16 4.228 -0.735 -7.825 97 HD22 ASN 16 2HD2 ASN 16 4.299 -2.360 -8.410 98 H GLU 17 H GLU 17 4.552 -0.403 -2.151 99 HA GLU 17 HA GLU 17 7.124 0.160 -3.475 100 HB2 GLU 17 1HB GLU 17 5.847 1.616 -1.153 101 HB3 GLU 17 2HB GLU 17 7.422 1.982 -1.843 102 HG2 GLU 17 1HG GLU 17 4.840 2.119 -3.379 103 HG3 GLU 17 2HG GLU 17 5.590 3.496 -2.573 104 H CYS 18 H CYS 18 5.563 -0.911 -0.493 105 HA CYS 18 HA CYS 18 8.125 -2.118 0.326 106 HB2 CYS 18 1HB CYS 18 7.241 -1.942 2.677 107 HB3 CYS 18 2HB CYS 18 7.595 -0.399 1.905 108 H GLY 19 H GLY 19 4.603 -2.467 0.297 109 HA2 GLY 19 1HA GLY 19 3.764 -4.657 -0.457 110 HA3 GLY 19 2HA GLY 19 4.997 -5.384 0.563 111 H LYS 20 H LYS 20 3.121 -2.617 1.578 112 HA LYS 20 HA LYS 20 2.104 -4.148 3.824 113 HB2 LYS 20 1HB LYS 20 3.055 -1.676 3.765 114 HB3 LYS 20 2HB LYS 20 1.385 -1.286 3.378 115 HG2 LYS 20 1HG LYS 20 0.601 -2.042 5.432 116 HG3 LYS 20 2HG LYS 20 2.054 -2.994 5.743 117 HD2 LYS 20 1HD LYS 20 3.340 -1.050 6.184 118 HD3 LYS 20 2HD LYS 20 2.079 0.011 5.553 119 HE2 LYS 20 1HE LYS 20 1.967 0.161 7.914 120 HE3 LYS 20 2HE LYS 20 0.600 -0.832 7.411 121 HZ1 LYS 20 3HZ LYS 20 3.168 -2.017 8.281 122 HZ2 LYS 20 1HZ LYS 20 1.660 -2.771 8.143 123 HZ3 LYS 20 2HZ LYS 20 1.934 -1.646 9.376 124 H VAL 21 H VAL 21 -0.221 -3.665 4.504 125 HA VAL 21 HA VAL 21 -2.003 -3.585 2.164 126 HB VAL 21 HB VAL 21 -2.123 -5.569 4.437 127 HG11 VAL 21 1HG1 VAL 21 -4.140 -4.880 2.317 128 HG12 VAL 21 2HG1 VAL 21 -4.132 -6.438 3.145 129 HG13 VAL 21 3HG1 VAL 21 -4.365 -4.951 4.065 130 HG21 VAL 21 3HG2 VAL 21 -2.109 -7.178 2.458 131 HG22 VAL 21 1HG2 VAL 21 -1.597 -5.797 1.488 132 HG23 VAL 21 2HG2 VAL 21 -0.596 -6.352 2.830 133 H PHE 22 H PHE 22 -4.219 -3.007 2.660 134 HA PHE 22 HA PHE 22 -4.754 -1.864 5.274 135 HB2 PHE 22 1HB PHE 22 -4.827 -0.150 2.782 136 HB3 PHE 22 2HB PHE 22 -5.313 0.352 4.398 137 HD1 PHE 22 HD2 PHE 22 -2.496 -0.391 2.197 138 HD2 PHE 22 HD1 PHE 22 -3.668 0.825 6.104 139 HE1 PHE 22 HE2 PHE 22 -0.192 0.342 2.657 140 HE2 PHE 22 HE1 PHE 22 -1.367 1.561 6.569 141 HZ PHE 22 HZ PHE 22 0.375 1.319 4.845 142 H THR 23 H THR 23 -7.027 -0.876 5.286 143 HA THR 23 HA THR 23 -8.786 -2.713 3.824 144 HB THR 23 HB THR 23 -9.475 -0.980 6.203 145 HG1 THR 23 HG1 THR 23 -8.410 -2.446 7.289 146 HG21 THR 23 3HG2 THR 23 -11.487 -2.188 6.344 147 HG22 THR 23 1HG2 THR 23 -10.920 -3.431 5.231 148 HG23 THR 23 2HG2 THR 23 -11.310 -1.820 4.628 149 H GLN 24 H GLN 24 -8.417 0.718 4.639 150 HA GLN 24 HA GLN 24 -10.356 1.364 2.521 151 HB2 GLN 24 1HB GLN 24 -10.912 2.158 4.817 152 HB3 GLN 24 2HB GLN 24 -9.440 3.121 4.803 153 HG2 GLN 24 1HG GLN 24 -11.416 4.458 4.293 154 HG3 GLN 24 2HG GLN 24 -10.275 4.430 2.950 155 HE21 GLN 24 1HE2 GLN 24 -11.818 4.939 1.425 156 HE22 GLN 24 2HE2 GLN 24 -13.047 3.829 0.933 157 H ASN 25 H ASN 25 -9.800 2.714 0.871 158 HA ASN 25 HA ASN 25 -7.277 2.821 -0.124 159 HB2 ASN 25 1HB ASN 25 -9.319 3.524 -1.348 160 HB3 ASN 25 2HB ASN 25 -9.326 5.027 -0.430 161 HD21 ASN 25 1HD2 ASN 25 -8.793 4.047 -3.347 162 HD22 ASN 25 2HD2 ASN 25 -7.435 5.007 -3.815 163 H SER 26 H SER 26 -8.793 5.461 1.734 164 HA SER 26 HA SER 26 -6.731 7.243 1.851 165 HB2 SER 26 1HB SER 26 -9.105 7.306 2.941 166 HB3 SER 26 2HB SER 26 -8.278 6.661 4.359 167 HG SER 26 HG SER 26 -7.068 8.483 4.492 168 H HIS 27 H HIS 27 -7.295 4.663 4.251 169 HA HIS 27 HA HIS 27 -5.093 5.000 5.840 170 HB2 HIS 27 1HB HIS 27 -6.162 2.313 4.957 171 HB3 HIS 27 2HB HIS 27 -5.280 2.661 6.441 172 HD1 HIS 27 HD1 HIS 27 -8.054 1.366 6.564 173 HD2 HIS 27 HD2 HIS 27 -7.394 5.462 6.781 174 HE1 HIS 27 HE1 HIS 27 -10.068 2.310 7.738 175 H LEU 28 H LEU 28 -5.231 3.633 2.628 176 HA LEU 28 HA LEU 28 -2.509 2.662 2.717 177 HB2 LEU 28 1HB LEU 28 -3.808 1.334 1.356 178 HB3 LEU 28 2HB LEU 28 -4.699 2.703 0.694 179 HG LEU 28 HG LEU 28 -2.719 3.310 -0.645 180 HD11 LEU 28 1HD1 LEU 28 -1.400 0.729 -0.298 181 HD12 LEU 28 2HD1 LEU 28 -1.317 1.769 1.124 182 HD13 LEU 28 3HD1 LEU 28 -0.715 2.348 -0.429 183 HD21 LEU 28 3HD2 LEU 28 -4.068 0.667 -0.910 184 HD22 LEU 28 1HD2 LEU 28 -2.758 1.072 -2.019 185 HD23 LEU 28 2HD2 LEU 28 -4.187 2.103 -1.928 186 H ALA 29 H ALA 29 -4.177 4.991 0.586 187 HA ALA 29 HA ALA 29 -2.044 6.150 -0.638 188 HB1 ALA 29 3HB ALA 29 -3.956 8.174 0.208 189 HB2 ALA 29 1HB ALA 29 -3.547 7.606 -1.412 190 HB3 ALA 29 2HB ALA 29 -4.727 6.726 -0.440 191 H ARG 30 H ARG 30 -3.370 7.093 2.526 192 HA ARG 30 HA ARG 30 -1.632 9.205 3.060 193 HB2 ARG 30 1HB ARG 30 -2.376 9.102 5.280 194 HB3 ARG 30 2HB ARG 30 -3.718 8.448 4.351 195 HG2 ARG 30 1HG ARG 30 -3.030 6.185 4.918 196 HG3 ARG 30 2HG ARG 30 -1.652 6.822 5.818 197 HD2 ARG 30 1HD ARG 30 -4.404 7.752 6.499 198 HD3 ARG 30 2HD ARG 30 -3.868 6.166 7.053 199 HE ARG 30 HE ARG 30 -3.045 8.710 8.065 200 HH11 ARG 30 1HH1 ARG 30 -2.048 5.411 7.577 201 HH12 ARG 30 2HH1 ARG 30 -0.900 5.429 8.874 202 HH21 ARG 30 1HH2 ARG 30 -1.537 8.747 9.775 203 HH22 ARG 30 2HH2 ARG 30 -0.611 7.326 10.125 204 H HIS 31 H HIS 31 -1.249 5.738 3.584 205 HA HIS 31 HA HIS 31 1.144 5.874 5.077 206 HB2 HIS 31 1HB HIS 31 0.130 3.803 5.242 207 HB3 HIS 31 2HB HIS 31 -0.268 3.743 3.528 208 HD1 HIS 31 HD1 HIS 31 2.672 3.288 5.858 209 HD2 HIS 31 HD2 HIS 31 1.537 2.399 1.962 210 HE1 HIS 31 HE1 HIS 31 4.467 1.770 4.965 211 H ARG 32 H ARG 32 0.536 5.431 1.606 212 HA ARG 32 HA ARG 32 3.073 5.001 0.674 213 HB2 ARG 32 1HB ARG 32 0.787 6.567 -0.502 214 HB3 ARG 32 2HB ARG 32 2.297 6.347 -1.375 215 HG2 ARG 32 1HG ARG 32 1.996 4.026 -1.532 216 HG3 ARG 32 2HG ARG 32 0.731 4.026 -0.301 217 HD2 ARG 32 1HD ARG 32 -0.518 3.848 -2.223 218 HD3 ARG 32 2HD ARG 32 -0.500 5.595 -1.988 219 HE ARG 32 HE ARG 32 0.669 5.795 -3.936 220 HH11 ARG 32 1HH1 ARG 32 0.951 2.518 -2.794 221 HH12 ARG 32 2HH1 ARG 32 1.780 1.959 -4.208 222 HH21 ARG 32 1HH2 ARG 32 1.761 5.070 -5.803 223 HH22 ARG 32 2HH2 ARG 32 2.242 3.411 -5.919 224 H GLY 33 H GLY 33 1.854 7.833 2.182 225 HA2 GLY 33 1HA GLY 33 3.482 9.824 1.089 226 HA3 GLY 33 2HA GLY 33 2.835 9.835 2.723 227 H ILE 34 H ILE 34 4.175 7.446 3.594 228 HA ILE 34 HA ILE 34 6.563 8.549 4.556 229 HB ILE 34 HB ILE 34 7.027 6.460 5.548 230 HG12 ILE 34 1HG1 ILE 34 5.178 5.223 3.497 231 HG13 ILE 34 2HG1 ILE 34 6.932 5.077 3.532 232 HG21 ILE 34 1HG2 ILE 34 4.129 6.011 5.500 233 HG22 ILE 34 2HG2 ILE 34 5.207 6.336 6.857 234 HG23 ILE 34 3HG2 ILE 34 4.615 7.667 5.863 235 HD11 ILE 34 3HD1 ILE 34 6.171 3.074 4.423 236 HD12 ILE 34 1HD1 ILE 34 6.602 4.028 5.842 237 HD13 ILE 34 2HD1 ILE 34 4.910 3.863 5.370 238 H HIS 35 H HIS 35 5.855 6.822 1.637 239 HA HIS 35 HA HIS 35 8.665 6.322 1.062 240 HB2 HIS 35 1HB HIS 35 6.210 5.766 -0.617 241 HB3 HIS 35 2HB HIS 35 7.845 5.210 -0.962 242 HD1 HIS 35 HD1 HIS 35 8.851 3.743 1.247 243 HD2 HIS 35 HD2 HIS 35 4.753 3.841 0.573 244 HE1 HIS 35 HE1 HIS 35 7.922 1.750 2.466 245 H THR 36 H THR 36 6.076 8.479 0.129 246 HA THR 36 HA THR 36 7.713 9.698 -1.958 247 HB THR 36 HB THR 36 5.728 11.085 -2.434 248 HG1 THR 36 HG1 THR 36 4.029 11.073 -1.133 249 HG21 THR 36 3HG2 THR 36 5.765 9.144 -3.726 250 HG22 THR 36 1HG2 THR 36 4.164 9.102 -2.989 251 HG23 THR 36 2HG2 THR 36 5.461 8.099 -2.339 252 H GLY 37 H GLY 37 8.881 10.024 0.489 253 HA2 GLY 37 1HA GLY 37 8.768 12.922 0.767 254 HA3 GLY 37 2HA GLY 37 8.382 11.994 2.209 255 H GLU 38 H GLU 38 10.097 10.119 2.534 256 HA GLU 38 HA GLU 38 12.464 11.296 3.342 257 HB2 GLU 38 1HB GLU 38 11.620 9.090 4.114 258 HB3 GLU 38 2HB GLU 38 12.087 8.399 2.566 259 HG2 GLU 38 1HG GLU 38 14.433 9.087 3.050 260 HG3 GLU 38 2HG GLU 38 13.902 9.561 4.662 261 H LYS 39 H LYS 39 14.664 10.964 2.576 262 HA LYS 39 HA LYS 39 14.888 11.560 -0.220 263 HB2 LYS 39 1HB LYS 39 16.319 12.590 1.557 264 HB3 LYS 39 2HB LYS 39 17.101 11.029 1.769 265 HG2 LYS 39 1HG LYS 39 18.555 12.179 0.382 266 HG3 LYS 39 2HG LYS 39 17.627 11.182 -0.741 267 HD2 LYS 39 1HD LYS 39 17.669 13.287 -1.755 268 HD3 LYS 39 2HD LYS 39 16.088 13.223 -0.972 269 HE2 LYS 39 1HE LYS 39 16.962 15.353 -0.470 270 HE3 LYS 39 2HE LYS 39 17.172 14.396 0.995 271 HZ1 LYS 39 3HZ LYS 39 19.160 15.556 -0.746 272 HZ2 LYS 39 1HZ LYS 39 19.483 13.956 -0.300 273 HZ3 LYS 39 2HZ LYS 39 19.264 15.137 0.890 274 HA PRO 40 HA PRO 40 15.440 7.435 -1.693 275 HB2 PRO 40 1HB PRO 40 16.544 8.038 -4.099 276 HB3 PRO 40 2HB PRO 40 14.825 8.257 -3.748 277 HG2 PRO 40 1HG PRO 40 17.032 10.280 -3.745 278 HG3 PRO 40 2HG PRO 40 15.387 10.420 -4.391 279 HD2 PRO 40 1HD PRO 40 16.106 11.467 -2.000 280 HD3 PRO 40 2HD PRO 40 14.474 10.847 -2.319 281 H SER 41 H SER 41 17.124 5.954 -2.343 282 HA SER 41 HA SER 41 19.632 6.536 -1.032 283 HB2 SER 41 1HB SER 41 18.581 4.341 -0.728 284 HB3 SER 41 2HB SER 41 18.689 4.038 -2.462 285 HG SER 41 HG SER 41 21.093 4.590 -1.889 286 H GLY 42 H GLY 42 18.513 5.835 -4.319 287 HA2 GLY 42 1HA GLY 42 21.203 6.187 -5.381 288 HA3 GLY 42 2HA GLY 42 19.773 5.731 -6.294 289 HA PRO 43 HA PRO 43 20.893 10.308 -6.832 290 HB2 PRO 43 1HB PRO 43 21.754 10.169 -9.403 291 HB3 PRO 43 2HB PRO 43 22.834 9.977 -8.016 292 HG2 PRO 43 1HG PRO 43 21.577 7.879 -9.743 293 HG3 PRO 43 2HG PRO 43 23.237 7.973 -9.124 294 HD2 PRO 43 1HD PRO 43 21.345 6.402 -7.989 295 HD3 PRO 43 2HD PRO 43 22.642 7.167 -7.048 296 H SER 44 H SER 44 18.643 10.646 -6.756 297 HA SER 44 HA SER 44 17.430 11.141 -9.305 298 HB2 SER 44 1HB SER 44 16.315 8.956 -7.536 299 HB3 SER 44 2HB SER 44 15.402 9.722 -8.836 300 HG SER 44 HG SER 44 17.034 7.693 -9.045 301 H SER 45 H SER 45 16.167 12.879 -9.139 302 HA SER 45 HA SER 45 14.542 13.405 -6.837 303 HB2 SER 45 1HB SER 45 16.988 15.109 -7.344 304 HB3 SER 45 2HB SER 45 15.641 15.613 -6.324 305 HG SER 45 HG SER 45 16.104 13.447 -5.257 306 H GLY 46 H GLY 46 13.314 15.454 -7.072 307 HA2 GLY 46 1HA GLY 46 12.797 15.944 -9.924 308 HA3 GLY 46 2HA GLY 46 11.663 16.233 -8.613 Start of MODEL 16 1 H1 GLY 1 H GLY 1 15.607 -13.606 19.096 2 HA2 GLY 1 1HA GLY 1 14.652 -15.686 17.576 3 HA3 GLY 1 2HA GLY 1 14.510 -16.246 19.236 4 H SER 2 H SER 2 12.609 -15.280 16.978 5 HA SER 2 HA SER 2 10.608 -14.260 18.707 6 HB2 SER 2 1HB SER 2 11.816 -12.171 18.551 7 HB3 SER 2 2HB SER 2 11.891 -12.297 16.794 8 HG SER 2 HG SER 2 9.637 -12.069 16.737 9 H SER 3 H SER 3 8.699 -14.848 17.903 10 HA SER 3 HA SER 3 8.135 -14.766 15.081 11 HB2 SER 3 1HB SER 3 8.416 -17.408 16.520 12 HB3 SER 3 2HB SER 3 7.508 -17.227 15.019 13 HG SER 3 HG SER 3 10.079 -17.619 15.263 14 H GLY 4 H GLY 4 5.878 -15.936 14.737 15 HA2 GLY 4 1HA GLY 4 4.040 -16.250 16.783 16 HA3 GLY 4 2HA GLY 4 4.037 -14.536 16.394 17 H SER 5 H SER 5 1.976 -14.476 15.561 18 HA SER 5 HA SER 5 1.708 -15.511 12.861 19 HB2 SER 5 1HB SER 5 0.741 -17.367 13.966 20 HB3 SER 5 2HB SER 5 -0.092 -16.342 15.134 21 HG SER 5 HG SER 5 -1.612 -16.939 13.662 22 H SER 6 H SER 6 1.263 -13.707 11.786 23 HA SER 6 HA SER 6 -0.232 -11.555 13.016 24 HB2 SER 6 1HB SER 6 0.877 -11.772 10.206 25 HB3 SER 6 2HB SER 6 0.276 -10.305 10.979 26 HG SER 6 HG SER 6 2.465 -10.280 11.224 27 H GLY 7 H GLY 7 -0.611 -13.680 10.184 28 HA2 GLY 7 1HA GLY 7 -2.472 -14.290 8.987 29 HA3 GLY 7 2HA GLY 7 -3.345 -14.099 10.500 30 H THR 8 H THR 8 -2.064 -12.249 7.755 31 HA THR 8 HA THR 8 -4.012 -10.134 8.258 32 HB THR 8 HB THR 8 -1.732 -9.429 7.739 33 HG1 THR 8 HG1 THR 8 -3.717 -8.300 6.889 34 HG21 THR 8 3HG2 THR 8 -1.143 -11.382 6.320 35 HG22 THR 8 1HG2 THR 8 -0.716 -9.837 5.586 36 HG23 THR 8 2HG2 THR 8 -2.147 -10.710 5.036 37 H GLY 9 H GLY 9 -5.777 -9.761 7.029 38 HA2 GLY 9 1HA GLY 9 -6.792 -11.802 5.367 39 HA3 GLY 9 2HA GLY 9 -7.463 -10.186 5.530 40 H GLU 10 H GLU 10 -7.876 -10.797 3.165 41 HA GLU 10 HA GLU 10 -5.561 -9.975 1.538 42 HB2 GLU 10 1HB GLU 10 -7.923 -11.694 0.763 43 HB3 GLU 10 2HB GLU 10 -6.672 -11.153 -0.347 44 HG2 GLU 10 1HG GLU 10 -5.919 -12.673 2.106 45 HG3 GLU 10 2HG GLU 10 -6.555 -13.525 0.700 46 H LYS 11 H LYS 11 -5.780 -7.844 1.216 47 HA LYS 11 HA LYS 11 -8.382 -6.873 0.226 48 HB2 LYS 11 1HB LYS 11 -6.493 -5.727 2.217 49 HB3 LYS 11 2HB LYS 11 -7.305 -4.601 1.137 50 HG2 LYS 11 1HG LYS 11 -8.740 -4.651 2.927 51 HG3 LYS 11 2HG LYS 11 -9.455 -5.870 1.868 52 HD2 LYS 11 1HD LYS 11 -9.414 -6.786 4.065 53 HD3 LYS 11 2HD LYS 11 -8.146 -7.597 3.142 54 HE2 LYS 11 1HE LYS 11 -6.457 -6.214 4.156 55 HE3 LYS 11 2HE LYS 11 -7.684 -5.243 4.969 56 HZ1 LYS 11 3HZ LYS 11 -7.701 -8.115 5.484 57 HZ2 LYS 11 1HZ LYS 11 -8.038 -6.826 6.527 58 HZ3 LYS 11 2HZ LYS 11 -6.435 -7.223 6.164 59 HA PRO 12 HA PRO 12 -6.254 -5.714 -3.453 60 HB2 PRO 12 1HB PRO 12 -8.000 -3.851 -4.375 61 HB3 PRO 12 2HB PRO 12 -8.330 -5.587 -4.430 62 HG2 PRO 12 1HG PRO 12 -9.276 -3.541 -2.460 63 HG3 PRO 12 2HG PRO 12 -10.181 -4.862 -3.224 64 HD2 PRO 12 1HD PRO 12 -9.212 -5.028 -0.701 65 HD3 PRO 12 2HD PRO 12 -9.351 -6.442 -1.766 66 H TYR 13 H TYR 13 -6.451 -3.833 -0.741 67 HA TYR 13 HA TYR 13 -5.222 -1.480 -1.988 68 HB2 TYR 13 1HB TYR 13 -6.299 -1.899 0.807 69 HB3 TYR 13 2HB TYR 13 -5.565 -0.407 0.230 70 HD1 TYR 13 HD2 TYR 13 -8.207 -2.784 -0.951 71 HD2 TYR 13 HD1 TYR 13 -7.055 1.260 -0.302 72 HE1 TYR 13 HE2 TYR 13 -10.398 -2.033 -1.779 73 HE2 TYR 13 HE1 TYR 13 -9.243 2.022 -1.127 74 HH TYR 13 HH TYR 13 -11.862 0.199 -1.345 75 H LYS 14 H LYS 14 -3.388 -3.165 -2.299 76 HA LYS 14 HA LYS 14 -1.668 -3.224 0.086 77 HB2 LYS 14 1HB LYS 14 -1.900 -5.426 -0.686 78 HB3 LYS 14 2HB LYS 14 -1.813 -4.942 -2.374 79 HG2 LYS 14 1HG LYS 14 0.518 -4.608 -2.262 80 HG3 LYS 14 2HG LYS 14 0.518 -4.685 -0.498 81 HD2 LYS 14 1HD LYS 14 0.166 -7.000 -0.486 82 HD3 LYS 14 2HD LYS 14 -0.379 -7.015 -2.165 83 HE2 LYS 14 1HE LYS 14 1.915 -6.385 -2.862 84 HE3 LYS 14 2HE LYS 14 2.427 -6.507 -1.180 85 HZ1 LYS 14 3HZ LYS 14 1.140 -8.775 -2.571 86 HZ2 LYS 14 1HZ LYS 14 2.086 -8.798 -1.168 87 HZ3 LYS 14 2HZ LYS 14 2.808 -8.510 -2.670 88 H CYS 15 H CYS 15 0.256 -2.197 0.113 89 HA CYS 15 HA CYS 15 0.792 -0.258 -1.926 90 HB2 CYS 15 1HB CYS 15 1.254 0.335 0.360 91 HB3 CYS 15 2HB CYS 15 2.308 -1.061 0.561 92 H ASN 16 H ASN 16 2.738 -0.073 -3.154 93 HA ASN 16 HA ASN 16 3.856 -2.692 -3.877 94 HB2 ASN 16 1HB ASN 16 3.350 -0.167 -5.393 95 HB3 ASN 16 2HB ASN 16 4.669 -1.211 -5.915 96 HD21 ASN 16 1HD2 ASN 16 4.208 -2.888 -7.168 97 HD22 ASN 16 2HD2 ASN 16 2.620 -3.480 -7.504 98 H GLU 17 H GLU 17 4.677 0.508 -2.765 99 HA GLU 17 HA GLU 17 7.424 0.521 -3.262 100 HB2 GLU 17 1HB GLU 17 5.690 1.845 -1.204 101 HB3 GLU 17 2HB GLU 17 7.439 2.005 -1.117 102 HG2 GLU 17 1HG GLU 17 6.762 3.889 -2.288 103 HG3 GLU 17 2HG GLU 17 7.305 2.783 -3.548 104 H CYS 18 H CYS 18 5.688 -0.504 -0.325 105 HA CYS 18 HA CYS 18 8.116 -1.944 0.511 106 HB2 CYS 18 1HB CYS 18 7.170 -1.878 2.791 107 HB3 CYS 18 2HB CYS 18 7.392 -0.264 2.122 108 H GLY 19 H GLY 19 4.572 -2.214 0.381 109 HA2 GLY 19 1HA GLY 19 3.707 -4.294 -0.636 110 HA3 GLY 19 2HA GLY 19 4.916 -5.149 0.311 111 H LYS 20 H LYS 20 3.117 -2.475 1.638 112 HA LYS 20 HA LYS 20 2.091 -4.173 3.731 113 HB2 LYS 20 1HB LYS 20 2.923 -1.658 3.806 114 HB3 LYS 20 2HB LYS 20 1.236 -1.328 3.430 115 HG2 LYS 20 1HG LYS 20 0.482 -2.220 5.437 116 HG3 LYS 20 2HG LYS 20 1.973 -3.127 5.705 117 HD2 LYS 20 1HD LYS 20 3.153 -1.225 6.363 118 HD3 LYS 20 2HD LYS 20 1.986 -0.129 5.619 119 HE2 LYS 20 1HE LYS 20 1.375 0.107 7.802 120 HE3 LYS 20 2HE LYS 20 0.358 -1.267 7.369 121 HZ1 LYS 20 3HZ LYS 20 1.957 -1.254 9.480 122 HZ2 LYS 20 1HZ LYS 20 3.027 -1.895 8.337 123 HZ3 LYS 20 2HZ LYS 20 1.555 -2.668 8.643 124 H VAL 21 H VAL 21 -0.270 -3.768 4.424 125 HA VAL 21 HA VAL 21 -2.039 -3.671 2.078 126 HB VAL 21 HB VAL 21 -2.164 -5.754 4.263 127 HG11 VAL 21 1HG1 VAL 21 -4.036 -6.686 2.943 128 HG12 VAL 21 2HG1 VAL 21 -4.393 -5.093 3.614 129 HG13 VAL 21 3HG1 VAL 21 -3.981 -5.261 1.907 130 HG21 VAL 21 3HG2 VAL 21 -0.403 -6.110 2.550 131 HG22 VAL 21 1HG2 VAL 21 -1.651 -7.356 2.540 132 HG23 VAL 21 2HG2 VAL 21 -1.655 -6.094 1.309 133 H PHE 22 H PHE 22 -4.171 -2.994 2.487 134 HA PHE 22 HA PHE 22 -4.853 -2.141 5.187 135 HB2 PHE 22 1HB PHE 22 -4.962 -0.174 2.898 136 HB3 PHE 22 2HB PHE 22 -5.273 0.144 4.601 137 HD1 PHE 22 HD2 PHE 22 -2.650 -0.651 2.136 138 HD2 PHE 22 HD1 PHE 22 -3.514 0.629 6.102 139 HE1 PHE 22 HE2 PHE 22 -0.290 -0.029 2.445 140 HE2 PHE 22 HE1 PHE 22 -1.155 1.253 6.418 141 HZ PHE 22 HZ PHE 22 0.461 0.924 4.588 142 H THR 23 H THR 23 -7.127 -1.026 5.080 143 HA THR 23 HA THR 23 -8.804 -2.686 3.315 144 HB THR 23 HB THR 23 -9.526 -1.521 6.012 145 HG1 THR 23 HG1 THR 23 -9.627 -4.007 6.316 146 HG21 THR 23 3HG2 THR 23 -11.554 -1.689 4.897 147 HG22 THR 23 1HG2 THR 23 -11.432 -3.262 5.684 148 HG23 THR 23 2HG2 THR 23 -11.045 -3.100 3.971 149 H GLN 24 H GLN 24 -8.163 0.533 4.484 150 HA GLN 24 HA GLN 24 -10.365 1.582 2.842 151 HB2 GLN 24 1HB GLN 24 -8.803 3.240 4.791 152 HB3 GLN 24 2HB GLN 24 -10.446 3.471 4.209 153 HG2 GLN 24 1HG GLN 24 -9.630 1.183 5.977 154 HG3 GLN 24 2HG GLN 24 -10.225 2.724 6.591 155 HE21 GLN 24 1HE2 GLN 24 -11.737 0.943 7.476 156 HE22 GLN 24 2HE2 GLN 24 -13.181 0.685 6.562 157 H ASN 25 H ASN 25 -9.985 3.350 1.437 158 HA ASN 25 HA ASN 25 -7.555 3.177 -0.010 159 HB2 ASN 25 1HB ASN 25 -9.920 3.886 -0.819 160 HB3 ASN 25 2HB ASN 25 -9.458 5.491 -0.258 161 HD21 ASN 25 1HD2 ASN 25 -9.248 3.220 -2.752 162 HD22 ASN 25 2HD2 ASN 25 -8.134 4.070 -3.763 163 H SER 26 H SER 26 -8.842 5.536 2.286 164 HA SER 26 HA SER 26 -6.817 7.464 2.011 165 HB2 SER 26 1HB SER 26 -8.594 6.803 4.369 166 HB3 SER 26 2HB SER 26 -7.556 8.225 4.284 167 HG SER 26 HG SER 26 -9.546 8.853 3.566 168 H HIS 27 H HIS 27 -7.192 4.868 4.422 169 HA HIS 27 HA HIS 27 -4.867 5.286 5.860 170 HB2 HIS 27 1HB HIS 27 -6.091 2.600 5.198 171 HB3 HIS 27 2HB HIS 27 -5.032 2.959 6.559 172 HD1 HIS 27 HD1 HIS 27 -7.277 1.874 7.772 173 HD2 HIS 27 HD2 HIS 27 -7.537 5.753 6.306 174 HE1 HIS 27 HE1 HIS 27 -9.245 2.907 8.948 175 H LEU 28 H LEU 28 -5.330 3.536 2.833 176 HA LEU 28 HA LEU 28 -2.669 2.524 2.696 177 HB2 LEU 28 1HB LEU 28 -4.055 1.282 1.382 178 HB3 LEU 28 2HB LEU 28 -5.010 2.676 0.883 179 HG LEU 28 HG LEU 28 -3.113 3.337 -0.611 180 HD11 LEU 28 1HD1 LEU 28 -1.955 0.926 0.628 181 HD12 LEU 28 2HD1 LEU 28 -1.167 2.362 -0.026 182 HD13 LEU 28 3HD1 LEU 28 -1.726 1.091 -1.114 183 HD21 LEU 28 3HD2 LEU 28 -4.994 1.173 -0.909 184 HD22 LEU 28 1HD2 LEU 28 -3.555 0.899 -1.892 185 HD23 LEU 28 2HD2 LEU 28 -4.482 2.388 -2.082 186 H ALA 29 H ALA 29 -4.327 5.157 0.955 187 HA ALA 29 HA ALA 29 -2.147 6.107 -0.481 188 HB1 ALA 29 3HB ALA 29 -3.428 7.962 -0.986 189 HB2 ALA 29 1HB ALA 29 -4.656 6.768 -0.565 190 HB3 ALA 29 2HB ALA 29 -4.187 8.002 0.605 191 H ARG 30 H ARG 30 -3.394 7.365 2.620 192 HA ARG 30 HA ARG 30 -1.456 9.263 3.111 193 HB2 ARG 30 1HB ARG 30 -2.167 9.270 5.349 194 HB3 ARG 30 2HB ARG 30 -3.576 8.729 4.447 195 HG2 ARG 30 1HG ARG 30 -3.315 6.509 5.156 196 HG3 ARG 30 2HG ARG 30 -1.664 6.795 5.710 197 HD2 ARG 30 1HD ARG 30 -2.468 8.190 7.510 198 HD3 ARG 30 2HD ARG 30 -4.122 8.058 6.915 199 HE ARG 30 HE ARG 30 -4.276 5.974 7.872 200 HH11 ARG 30 1HH1 ARG 30 -0.959 7.030 7.882 201 HH12 ARG 30 2HH1 ARG 30 -0.417 5.746 8.912 202 HH21 ARG 30 1HH2 ARG 30 -3.575 4.279 9.228 203 HH22 ARG 30 2HH2 ARG 30 -1.905 4.181 9.676 204 H HIS 31 H HIS 31 -1.309 5.789 3.570 205 HA HIS 31 HA HIS 31 1.055 5.715 5.117 206 HB2 HIS 31 1HB HIS 31 -0.030 3.694 5.205 207 HB3 HIS 31 2HB HIS 31 -0.506 3.752 3.511 208 HD1 HIS 31 HD1 HIS 31 2.637 3.187 5.572 209 HD2 HIS 31 HD2 HIS 31 0.988 2.164 1.898 210 HE1 HIS 31 HE1 HIS 31 4.246 1.549 4.546 211 H ARG 32 H ARG 32 0.510 5.335 1.621 212 HA ARG 32 HA ARG 32 3.113 4.876 0.814 213 HB2 ARG 32 1HB ARG 32 0.792 6.240 -0.519 214 HB3 ARG 32 2HB ARG 32 2.350 6.126 -1.327 215 HG2 ARG 32 1HG ARG 32 2.264 3.689 -1.149 216 HG3 ARG 32 2HG ARG 32 0.696 3.809 -0.347 217 HD2 ARG 32 1HD ARG 32 0.390 3.290 -2.691 218 HD3 ARG 32 2HD ARG 32 -0.220 4.908 -2.347 219 HE ARG 32 HE ARG 32 2.060 4.213 -3.994 220 HH11 ARG 32 1HH1 ARG 32 0.326 6.709 -2.296 221 HH12 ARG 32 2HH1 ARG 32 1.017 8.000 -3.222 222 HH21 ARG 32 1HH2 ARG 32 2.977 5.904 -5.220 223 HH22 ARG 32 2HH2 ARG 32 2.524 7.541 -4.885 224 H GLY 33 H GLY 33 1.717 7.757 2.073 225 HA2 GLY 33 1HA GLY 33 3.314 9.739 0.942 226 HA3 GLY 33 2HA GLY 33 2.615 9.813 2.553 227 H ILE 34 H ILE 34 4.208 7.224 3.090 228 HA ILE 34 HA ILE 34 6.470 8.560 4.246 229 HB ILE 34 HB ILE 34 7.022 6.485 5.267 230 HG12 ILE 34 1HG1 ILE 34 5.053 5.151 3.397 231 HG13 ILE 34 2HG1 ILE 34 6.803 5.098 3.215 232 HG21 ILE 34 1HG2 ILE 34 4.291 7.451 5.270 233 HG22 ILE 34 2HG2 ILE 34 4.391 5.746 5.709 234 HG23 ILE 34 3HG2 ILE 34 5.311 6.945 6.617 235 HD11 ILE 34 3HD1 ILE 34 6.851 4.067 5.534 236 HD12 ILE 34 1HD1 ILE 34 5.111 3.852 5.350 237 HD13 ILE 34 2HD1 ILE 34 6.220 3.072 4.222 238 H HIS 35 H HIS 35 5.865 6.636 1.410 239 HA HIS 35 HA HIS 35 8.685 6.225 0.868 240 HB2 HIS 35 1HB HIS 35 6.350 5.635 -0.954 241 HB3 HIS 35 2HB HIS 35 7.975 4.963 -1.045 242 HD1 HIS 35 HD1 HIS 35 8.575 3.685 1.453 243 HD2 HIS 35 HD2 HIS 35 4.655 3.824 0.085 244 HE1 HIS 35 HE1 HIS 35 7.377 1.830 2.657 245 H THR 36 H THR 36 5.996 8.130 -0.416 246 HA THR 36 HA THR 36 7.610 9.354 -2.460 247 HB THR 36 HB THR 36 5.510 10.951 -2.494 248 HG1 THR 36 HG1 THR 36 4.823 9.750 -0.438 249 HG21 THR 36 3HG2 THR 36 4.494 8.441 -3.427 250 HG22 THR 36 1HG2 THR 36 6.218 8.542 -3.781 251 HG23 THR 36 2HG2 THR 36 5.124 9.798 -4.360 252 H GLY 37 H GLY 37 7.162 9.859 0.855 253 HA2 GLY 37 1HA GLY 37 7.670 12.724 0.759 254 HA3 GLY 37 2HA GLY 37 7.416 11.757 2.204 255 H GLU 38 H GLU 38 9.411 13.659 2.097 256 HA GLU 38 HA GLU 38 11.903 12.233 1.578 257 HB2 GLU 38 1HB GLU 38 11.502 14.661 0.911 258 HB3 GLU 38 2HB GLU 38 11.612 15.046 2.622 259 HG2 GLU 38 1HG GLU 38 13.869 14.319 2.727 260 HG3 GLU 38 2HG GLU 38 13.782 13.620 1.111 261 H LYS 39 H LYS 39 10.044 11.545 3.800 262 HA LYS 39 HA LYS 39 11.069 12.394 6.272 263 HB2 LYS 39 1HB LYS 39 9.350 10.179 5.319 264 HB3 LYS 39 2HB LYS 39 10.140 9.928 6.870 265 HG2 LYS 39 1HG LYS 39 8.755 12.513 6.441 266 HG3 LYS 39 2HG LYS 39 7.761 11.070 6.657 267 HD2 LYS 39 1HD LYS 39 7.999 11.748 8.837 268 HD3 LYS 39 2HD LYS 39 9.376 10.654 8.688 269 HE2 LYS 39 1HE LYS 39 9.790 13.509 7.985 270 HE3 LYS 39 2HE LYS 39 9.609 13.104 9.691 271 HZ1 LYS 39 3HZ LYS 39 11.747 12.569 9.660 272 HZ2 LYS 39 1HZ LYS 39 11.841 12.702 7.976 273 HZ3 LYS 39 2HZ LYS 39 11.361 11.243 8.683 274 HA PRO 40 HA PRO 40 13.772 8.394 6.290 275 HB2 PRO 40 1HB PRO 40 13.920 6.972 3.982 276 HB3 PRO 40 2HB PRO 40 12.689 6.676 5.216 277 HG2 PRO 40 1HG PRO 40 12.479 8.228 2.665 278 HG3 PRO 40 2HG PRO 40 11.328 7.080 3.375 279 HD2 PRO 40 1HD PRO 40 11.022 9.763 3.576 280 HD3 PRO 40 2HD PRO 40 10.483 8.643 4.844 281 H SER 41 H SER 41 15.941 7.879 5.446 282 HA SER 41 HA SER 41 17.030 10.174 3.989 283 HB2 SER 41 1HB SER 41 18.120 9.812 6.087 284 HB3 SER 41 2HB SER 41 18.315 8.090 5.761 285 HG SER 41 HG SER 41 19.701 8.717 3.999 286 H GLY 42 H GLY 42 17.497 6.635 4.109 287 HA2 GLY 42 1HA GLY 42 17.398 6.390 1.267 288 HA3 GLY 42 2HA GLY 42 19.054 6.327 1.853 289 HA PRO 43 HA PRO 43 18.486 1.995 2.379 290 HB2 PRO 43 1HB PRO 43 20.589 1.510 4.027 291 HB3 PRO 43 2HB PRO 43 20.778 1.843 2.301 292 HG2 PRO 43 1HG PRO 43 21.111 3.689 4.634 293 HG3 PRO 43 2HG PRO 43 22.122 3.520 3.188 294 HD2 PRO 43 1HD PRO 43 20.301 5.505 3.469 295 HD3 PRO 43 2HD PRO 43 20.702 4.793 1.893 296 H SER 44 H SER 44 16.906 1.159 3.580 297 HA SER 44 HA SER 44 17.073 1.387 6.496 298 HB2 SER 44 1HB SER 44 15.391 3.039 5.282 299 HB3 SER 44 2HB SER 44 14.367 1.604 5.247 300 HG SER 44 HG SER 44 14.929 1.489 7.596 301 H SER 45 H SER 45 16.187 -0.340 7.636 302 HA SER 45 HA SER 45 16.486 -2.859 6.811 303 HB2 SER 45 1HB SER 45 14.491 -1.685 8.715 304 HB3 SER 45 2HB SER 45 14.435 -3.411 8.360 305 HG SER 45 HG SER 45 15.887 -3.462 9.898 306 H GLY 46 H GLY 46 13.485 -1.009 6.351 307 HA2 GLY 46 1HA GLY 46 12.662 -1.527 3.939 308 HA3 GLY 46 2HA GLY 46 12.477 -3.144 4.603 Start of MODEL 17 1 H1 GLY 1 H GLY 1 12.255 -20.375 10.086 2 HA2 GLY 1 1HA GLY 1 9.708 -20.150 9.628 3 HA3 GLY 1 2HA GLY 1 9.594 -20.738 11.280 4 H SER 2 H SER 2 12.028 -18.520 10.017 5 HA SER 2 HA SER 2 11.365 -16.623 12.104 6 HB2 SER 2 1HB SER 2 13.383 -15.465 11.453 7 HB3 SER 2 2HB SER 2 13.732 -17.193 11.509 8 HG SER 2 HG SER 2 12.987 -16.839 9.087 9 H SER 3 H SER 3 10.952 -16.976 8.667 10 HA SER 3 HA SER 3 10.082 -14.214 8.352 11 HB2 SER 3 1HB SER 3 10.583 -16.487 6.449 12 HB3 SER 3 2HB SER 3 9.672 -15.069 5.932 13 HG SER 3 HG SER 3 11.534 -13.832 6.721 14 H GLY 4 H GLY 4 8.079 -13.738 8.970 15 HA2 GLY 4 1HA GLY 4 5.970 -15.763 8.573 16 HA3 GLY 4 2HA GLY 4 5.917 -14.479 9.772 17 H SER 5 H SER 5 6.432 -14.655 6.246 18 HA SER 5 HA SER 5 4.624 -12.362 5.954 19 HB2 SER 5 1HB SER 5 5.639 -12.004 3.787 20 HB3 SER 5 2HB SER 5 6.923 -12.210 4.978 21 HG SER 5 HG SER 5 6.279 -13.751 2.810 22 H SER 6 H SER 6 3.461 -14.850 6.503 23 HA SER 6 HA SER 6 2.691 -16.419 4.371 24 HB2 SER 6 1HB SER 6 2.099 -17.041 6.627 25 HB3 SER 6 2HB SER 6 1.098 -15.601 6.811 26 HG SER 6 HG SER 6 -0.191 -16.476 5.052 27 H GLY 7 H GLY 7 0.910 -13.602 5.654 28 HA2 GLY 7 1HA GLY 7 -0.199 -11.956 4.422 29 HA3 GLY 7 2HA GLY 7 0.103 -12.882 2.959 30 H THR 8 H THR 8 -1.804 -12.997 5.959 31 HA THR 8 HA THR 8 -3.744 -14.781 4.807 32 HB THR 8 HB THR 8 -3.353 -14.950 7.177 33 HG1 THR 8 HG1 THR 8 -5.415 -15.429 7.162 34 HG21 THR 8 3HG2 THR 8 -3.029 -13.193 8.512 35 HG22 THR 8 1HG2 THR 8 -4.593 -12.504 8.077 36 HG23 THR 8 2HG2 THR 8 -3.172 -12.161 7.089 37 H GLY 9 H GLY 9 -5.641 -14.295 3.856 38 HA2 GLY 9 1HA GLY 9 -7.227 -13.028 2.780 39 HA3 GLY 9 2HA GLY 9 -7.235 -12.072 4.255 40 H GLU 10 H GLU 10 -6.101 -12.302 0.986 41 HA GLU 10 HA GLU 10 -4.441 -9.957 1.119 42 HB2 GLU 10 1HB GLU 10 -5.503 -11.514 -1.245 43 HB3 GLU 10 2HB GLU 10 -4.342 -10.199 -1.355 44 HG2 GLU 10 1HG GLU 10 -3.957 -12.871 -0.036 45 HG3 GLU 10 2HG GLU 10 -3.151 -12.253 -1.476 46 H LYS 11 H LYS 11 -4.840 -7.974 0.004 47 HA LYS 11 HA LYS 11 -7.650 -7.409 -0.621 48 HB2 LYS 11 1HB LYS 11 -5.900 -5.812 1.254 49 HB3 LYS 11 2HB LYS 11 -7.417 -5.219 0.592 50 HG2 LYS 11 1HG LYS 11 -7.193 -7.738 2.218 51 HG3 LYS 11 2HG LYS 11 -7.548 -6.153 2.909 52 HD2 LYS 11 1HD LYS 11 -9.190 -7.201 0.638 53 HD3 LYS 11 2HD LYS 11 -9.501 -7.757 2.284 54 HE2 LYS 11 1HE LYS 11 -9.323 -4.835 1.623 55 HE3 LYS 11 2HE LYS 11 -10.824 -5.734 1.409 56 HZ1 LYS 11 3HZ LYS 11 -11.152 -5.126 3.532 57 HZ2 LYS 11 1HZ LYS 11 -9.508 -4.884 3.848 58 HZ3 LYS 11 2HZ LYS 11 -10.156 -6.446 3.887 59 HA PRO 12 HA PRO 12 -5.991 -5.329 -4.120 60 HB2 PRO 12 1HB PRO 12 -8.001 -3.574 -4.620 61 HB3 PRO 12 2HB PRO 12 -8.134 -5.306 -4.948 62 HG2 PRO 12 1HG PRO 12 -9.158 -3.736 -2.614 63 HG3 PRO 12 2HG PRO 12 -9.961 -5.019 -3.539 64 HD2 PRO 12 1HD PRO 12 -8.796 -5.466 -1.136 65 HD3 PRO 12 2HD PRO 12 -8.852 -6.697 -2.414 66 H TYR 13 H TYR 13 -6.226 -3.934 -1.123 67 HA TYR 13 HA TYR 13 -5.186 -1.345 -2.067 68 HB2 TYR 13 1HB TYR 13 -6.653 -2.126 0.444 69 HB3 TYR 13 2HB TYR 13 -5.727 -0.632 0.346 70 HD1 TYR 13 HD2 TYR 13 -7.862 -2.257 -2.239 71 HD2 TYR 13 HD1 TYR 13 -7.328 1.061 0.370 72 HE1 TYR 13 HE2 TYR 13 -9.788 -1.136 -3.279 73 HE2 TYR 13 HE1 TYR 13 -9.254 2.190 -0.662 74 HH TYR 13 HH TYR 13 -10.556 2.170 -2.641 75 H LYS 14 H LYS 14 -3.289 -3.094 -2.280 76 HA LYS 14 HA LYS 14 -1.711 -2.970 0.205 77 HB2 LYS 14 1HB LYS 14 -1.877 -5.237 -0.275 78 HB3 LYS 14 2HB LYS 14 -1.832 -4.977 -2.014 79 HG2 LYS 14 1HG LYS 14 0.500 -4.619 -1.999 80 HG3 LYS 14 2HG LYS 14 0.540 -4.479 -0.240 81 HD2 LYS 14 1HD LYS 14 0.000 -6.814 0.006 82 HD3 LYS 14 2HD LYS 14 -0.232 -6.983 -1.736 83 HE2 LYS 14 1HE LYS 14 2.201 -6.215 -1.944 84 HE3 LYS 14 2HE LYS 14 2.320 -6.536 -0.214 85 HZ1 LYS 14 3HZ LYS 14 2.406 -8.719 -0.568 86 HZ2 LYS 14 1HZ LYS 14 2.702 -8.354 -2.193 87 HZ3 LYS 14 2HZ LYS 14 1.128 -8.697 -1.677 88 H CYS 15 H CYS 15 0.147 -1.858 0.219 89 HA CYS 15 HA CYS 15 0.812 -0.144 -1.929 90 HB2 CYS 15 1HB CYS 15 1.325 0.534 0.320 91 HB3 CYS 15 2HB CYS 15 2.320 -0.895 0.580 92 H ASN 16 H ASN 16 2.876 -0.058 -3.063 93 HA ASN 16 HA ASN 16 3.814 -2.758 -3.754 94 HB2 ASN 16 1HB ASN 16 4.680 -1.558 -5.849 95 HB3 ASN 16 2HB ASN 16 2.936 -1.753 -5.698 96 HD21 ASN 16 1HD2 ASN 16 5.339 0.369 -6.431 97 HD22 ASN 16 2HD2 ASN 16 4.491 1.855 -6.189 98 H GLU 17 H GLU 17 4.848 0.460 -2.816 99 HA GLU 17 HA GLU 17 7.578 0.286 -3.227 100 HB2 GLU 17 1HB GLU 17 5.906 1.724 -1.196 101 HB3 GLU 17 2HB GLU 17 7.659 1.781 -1.087 102 HG2 GLU 17 1HG GLU 17 6.188 2.521 -3.593 103 HG3 GLU 17 2HG GLU 17 6.513 3.682 -2.307 104 H CYS 18 H CYS 18 5.845 -0.484 -0.204 105 HA CYS 18 HA CYS 18 8.163 -2.080 0.637 106 HB2 CYS 18 1HB CYS 18 7.216 -1.940 2.901 107 HB3 CYS 18 2HB CYS 18 7.461 -0.340 2.209 108 H GLY 19 H GLY 19 4.612 -2.208 0.472 109 HA2 GLY 19 1HA GLY 19 3.652 -4.245 -0.527 110 HA3 GLY 19 2HA GLY 19 4.841 -5.154 0.395 111 H LYS 20 H LYS 20 3.034 -2.424 1.660 112 HA LYS 20 HA LYS 20 2.008 -4.105 3.789 113 HB2 LYS 20 1HB LYS 20 2.948 -1.632 3.895 114 HB3 LYS 20 2HB LYS 20 1.279 -1.221 3.525 115 HG2 LYS 20 1HG LYS 20 0.491 -2.035 5.531 116 HG3 LYS 20 2HG LYS 20 1.875 -3.107 5.759 117 HD2 LYS 20 1HD LYS 20 3.298 -1.267 6.308 118 HD3 LYS 20 2HD LYS 20 2.058 -0.099 5.845 119 HE2 LYS 20 1HE LYS 20 1.507 -2.104 7.995 120 HE3 LYS 20 2HE LYS 20 2.443 -0.655 8.359 121 HZ1 LYS 20 3HZ LYS 20 0.565 0.649 7.419 122 HZ2 LYS 20 1HZ LYS 20 0.173 -0.203 8.828 123 HZ3 LYS 20 2HZ LYS 20 -0.333 -0.782 7.321 124 H VAL 21 H VAL 21 -0.272 -3.979 4.444 125 HA VAL 21 HA VAL 21 -2.055 -3.742 2.107 126 HB VAL 21 HB VAL 21 -2.274 -5.659 4.432 127 HG11 VAL 21 1HG1 VAL 21 -4.169 -6.601 3.045 128 HG12 VAL 21 2HG1 VAL 21 -4.483 -5.058 3.841 129 HG13 VAL 21 3HG1 VAL 21 -4.112 -5.102 2.117 130 HG21 VAL 21 3HG2 VAL 21 -1.606 -6.063 1.522 131 HG22 VAL 21 1HG2 VAL 21 -0.583 -6.399 2.918 132 HG23 VAL 21 2HG2 VAL 21 -2.023 -7.374 2.625 133 H PHE 22 H PHE 22 -4.284 -3.170 2.575 134 HA PHE 22 HA PHE 22 -4.848 -1.974 5.157 135 HB2 PHE 22 1HB PHE 22 -4.951 -0.286 2.649 136 HB3 PHE 22 2HB PHE 22 -5.346 0.233 4.285 137 HD1 PHE 22 HD2 PHE 22 -2.622 -0.724 2.012 138 HD2 PHE 22 HD1 PHE 22 -3.644 0.835 5.839 139 HE1 PHE 22 HE2 PHE 22 -0.286 -0.030 2.350 140 HE2 PHE 22 HE1 PHE 22 -1.309 1.531 6.183 141 HZ PHE 22 HZ PHE 22 0.374 1.098 4.437 142 H THR 23 H THR 23 -7.122 -0.913 5.054 143 HA THR 23 HA THR 23 -8.858 -2.691 3.469 144 HB THR 23 HB THR 23 -10.562 -2.403 5.230 145 HG1 THR 23 HG1 THR 23 -10.069 -1.290 7.094 146 HG21 THR 23 3HG2 THR 23 -8.187 -3.266 6.777 147 HG22 THR 23 1HG2 THR 23 -8.495 -4.107 5.259 148 HG23 THR 23 2HG2 THR 23 -9.729 -4.082 6.519 149 H GLN 24 H GLN 24 -8.209 0.589 4.455 150 HA GLN 24 HA GLN 24 -10.324 1.508 2.623 151 HB2 GLN 24 1HB GLN 24 -11.151 2.228 4.662 152 HB3 GLN 24 2HB GLN 24 -9.548 2.492 5.337 153 HG2 GLN 24 1HG GLN 24 -9.362 4.577 4.451 154 HG3 GLN 24 2HG GLN 24 -10.384 4.200 3.065 155 HE21 GLN 24 1HE2 GLN 24 -11.525 6.138 3.405 156 HE22 GLN 24 2HE2 GLN 24 -12.702 6.279 4.662 157 H ASN 25 H ASN 25 -9.725 2.870 1.045 158 HA ASN 25 HA ASN 25 -7.191 3.189 0.152 159 HB2 ASN 25 1HB ASN 25 -8.693 3.961 -1.395 160 HB3 ASN 25 2HB ASN 25 -9.676 4.786 -0.189 161 HD21 ASN 25 1HD2 ASN 25 -9.367 6.903 0.176 162 HD22 ASN 25 2HD2 ASN 25 -8.178 7.870 -0.622 163 H SER 26 H SER 26 -8.899 5.649 2.092 164 HA SER 26 HA SER 26 -6.947 7.514 2.403 165 HB2 SER 26 1HB SER 26 -8.866 6.516 4.520 166 HB3 SER 26 2HB SER 26 -7.939 8.011 4.641 167 HG SER 26 HG SER 26 -10.246 7.547 3.336 168 H HIS 27 H HIS 27 -7.287 4.522 4.273 169 HA HIS 27 HA HIS 27 -5.103 4.974 6.001 170 HB2 HIS 27 1HB HIS 27 -6.158 2.286 5.111 171 HB3 HIS 27 2HB HIS 27 -5.293 2.652 6.601 172 HD1 HIS 27 HD1 HIS 27 -7.863 1.297 7.043 173 HD2 HIS 27 HD2 HIS 27 -7.644 5.420 6.583 174 HE1 HIS 27 HE1 HIS 27 -9.949 2.205 8.114 175 H LEU 28 H LEU 28 -5.350 3.614 2.784 176 HA LEU 28 HA LEU 28 -2.625 2.661 2.768 177 HB2 LEU 28 1HB LEU 28 -4.012 1.359 1.447 178 HB3 LEU 28 2HB LEU 28 -4.859 2.757 0.786 179 HG LEU 28 HG LEU 28 -2.750 3.292 -0.486 180 HD11 LEU 28 1HD1 LEU 28 -1.949 0.744 0.818 181 HD12 LEU 28 2HD1 LEU 28 -0.993 2.181 0.458 182 HD13 LEU 28 3HD1 LEU 28 -1.407 1.052 -0.832 183 HD21 LEU 28 3HD2 LEU 28 -4.821 2.029 -1.329 184 HD22 LEU 28 1HD2 LEU 28 -3.814 0.585 -1.216 185 HD23 LEU 28 2HD2 LEU 28 -3.335 1.913 -2.274 186 H ALA 29 H ALA 29 -4.343 4.984 0.672 187 HA ALA 29 HA ALA 29 -2.278 6.168 -0.604 188 HB1 ALA 29 3HB ALA 29 -4.964 6.871 -0.020 189 HB2 ALA 29 1HB ALA 29 -3.959 8.302 0.214 190 HB3 ALA 29 2HB ALA 29 -3.935 7.449 -1.330 191 H ARG 30 H ARG 30 -3.444 7.113 2.625 192 HA ARG 30 HA ARG 30 -1.660 9.181 3.115 193 HB2 ARG 30 1HB ARG 30 -2.299 9.052 5.354 194 HB3 ARG 30 2HB ARG 30 -3.673 8.352 4.508 195 HG2 ARG 30 1HG ARG 30 -2.847 6.110 5.018 196 HG3 ARG 30 2HG ARG 30 -1.471 6.815 5.870 197 HD2 ARG 30 1HD ARG 30 -4.386 7.090 6.592 198 HD3 ARG 30 2HD ARG 30 -3.165 6.163 7.463 199 HE ARG 30 HE ARG 30 -2.436 8.904 7.243 200 HH11 ARG 30 1HH1 ARG 30 -4.479 6.696 8.995 201 HH12 ARG 30 2HH1 ARG 30 -4.539 7.679 10.421 202 HH21 ARG 30 1HH2 ARG 30 -2.508 10.207 9.114 203 HH22 ARG 30 2HH2 ARG 30 -3.419 9.676 10.487 204 H HIS 31 H HIS 31 -1.275 5.705 3.659 205 HA HIS 31 HA HIS 31 1.200 5.799 4.974 206 HB2 HIS 31 1HB HIS 31 0.196 3.722 5.126 207 HB3 HIS 31 2HB HIS 31 -0.285 3.713 3.432 208 HD1 HIS 31 HD1 HIS 31 2.620 2.963 5.677 209 HD2 HIS 31 HD2 HIS 31 1.588 2.652 1.664 210 HE1 HIS 31 HE1 HIS 31 4.407 1.535 4.632 211 H ARG 32 H ARG 32 0.392 5.618 1.535 212 HA ARG 32 HA ARG 32 2.854 5.145 0.421 213 HB2 ARG 32 1HB ARG 32 0.832 7.134 -0.626 214 HB3 ARG 32 2HB ARG 32 2.064 6.300 -1.563 215 HG2 ARG 32 1HG ARG 32 0.102 4.656 -0.060 216 HG3 ARG 32 2HG ARG 32 -0.440 5.485 -1.521 217 HD2 ARG 32 1HD ARG 32 1.821 3.508 -1.270 218 HD3 ARG 32 2HD ARG 32 0.292 3.280 -2.118 219 HE ARG 32 HE ARG 32 1.337 5.409 -3.381 220 HH11 ARG 32 1HH1 ARG 32 2.657 2.298 -2.545 221 HH12 ARG 32 2HH1 ARG 32 3.733 2.245 -3.902 222 HH21 ARG 32 1HH2 ARG 32 2.749 5.350 -5.172 223 HH22 ARG 32 2HH2 ARG 32 3.785 3.981 -5.395 224 H GLY 33 H GLY 33 1.877 7.871 2.240 225 HA2 GLY 33 1HA GLY 33 3.518 9.883 1.185 226 HA3 GLY 33 2HA GLY 33 2.961 9.799 2.849 227 H ILE 34 H ILE 34 4.281 7.169 3.237 228 HA ILE 34 HA ILE 34 6.765 8.142 4.206 229 HB ILE 34 HB ILE 34 7.190 5.949 5.000 230 HG12 ILE 34 1HG1 ILE 34 4.989 4.928 3.196 231 HG13 ILE 34 2HG1 ILE 34 6.704 4.813 2.819 232 HG21 ILE 34 1HG2 ILE 34 4.849 5.286 5.890 233 HG22 ILE 34 2HG2 ILE 34 5.538 6.841 6.352 234 HG23 ILE 34 3HG2 ILE 34 4.314 6.761 5.085 235 HD11 ILE 34 3HD1 ILE 34 6.989 3.504 4.926 236 HD12 ILE 34 1HD1 ILE 34 5.233 3.484 5.076 237 HD13 ILE 34 2HD1 ILE 34 6.008 2.720 3.688 238 H HIS 35 H HIS 35 5.770 6.900 1.182 239 HA HIS 35 HA HIS 35 8.525 6.272 0.396 240 HB2 HIS 35 1HB HIS 35 5.951 5.793 -1.119 241 HB3 HIS 35 2HB HIS 35 7.552 5.223 -1.582 242 HD1 HIS 35 HD1 HIS 35 8.672 3.626 0.436 243 HD2 HIS 35 HD2 HIS 35 4.535 3.904 0.181 244 HE1 HIS 35 HE1 HIS 35 7.786 1.623 1.673 245 H THR 36 H THR 36 5.768 8.303 -0.485 246 HA THR 36 HA THR 36 7.417 9.738 -2.430 247 HB THR 36 HB THR 36 5.365 10.840 -3.140 248 HG1 THR 36 HG1 THR 36 4.330 9.571 -0.840 249 HG21 THR 36 3HG2 THR 36 4.274 8.981 -4.128 250 HG22 THR 36 1HG2 THR 36 4.749 7.909 -2.812 251 HG23 THR 36 2HG2 THR 36 5.962 8.509 -3.942 252 H GLY 37 H GLY 37 8.167 10.068 0.250 253 HA2 GLY 37 1HA GLY 37 7.715 12.949 0.520 254 HA3 GLY 37 2HA GLY 37 7.326 11.931 1.899 255 H GLU 38 H GLU 38 8.851 12.525 3.342 256 HA GLU 38 HA GLU 38 11.604 12.885 2.554 257 HB2 GLU 38 1HB GLU 38 10.432 14.233 4.344 258 HB3 GLU 38 2HB GLU 38 10.491 12.798 5.357 259 HG2 GLU 38 1HG GLU 38 12.306 14.195 5.973 260 HG3 GLU 38 2HG GLU 38 12.969 12.808 5.109 261 H LYS 39 H LYS 39 12.851 11.181 2.177 262 HA LYS 39 HA LYS 39 12.913 9.017 4.141 263 HB2 LYS 39 1HB LYS 39 11.396 8.371 2.225 264 HB3 LYS 39 2HB LYS 39 12.806 8.452 1.176 265 HG2 LYS 39 1HG LYS 39 12.653 6.201 1.684 266 HG3 LYS 39 2HG LYS 39 13.862 6.784 2.830 267 HD2 LYS 39 1HD LYS 39 12.127 6.956 4.557 268 HD3 LYS 39 2HD LYS 39 10.930 6.353 3.408 269 HE2 LYS 39 1HE LYS 39 11.789 4.216 3.434 270 HE3 LYS 39 2HE LYS 39 13.397 4.754 3.917 271 HZ1 LYS 39 3HZ LYS 39 11.012 4.804 5.684 272 HZ2 LYS 39 1HZ LYS 39 12.605 5.164 6.125 273 HZ3 LYS 39 2HZ LYS 39 12.184 3.584 5.693 274 HA PRO 40 HA PRO 40 17.252 9.682 3.628 275 HB2 PRO 40 1HB PRO 40 18.114 7.481 4.964 276 HB3 PRO 40 2HB PRO 40 17.461 8.907 5.780 277 HG2 PRO 40 1HG PRO 40 16.111 6.318 5.118 278 HG3 PRO 40 2HG PRO 40 16.030 7.272 6.611 279 HD2 PRO 40 1HD PRO 40 14.080 7.334 4.734 280 HD3 PRO 40 2HD PRO 40 14.486 8.743 5.735 281 H SER 41 H SER 41 18.578 9.237 1.984 282 HA SER 41 HA SER 41 17.986 7.217 0.090 283 HB2 SER 41 1HB SER 41 20.153 9.237 0.444 284 HB3 SER 41 2HB SER 41 20.439 7.905 -0.675 285 HG SER 41 HG SER 41 18.944 10.105 -1.022 286 H GLY 42 H GLY 42 18.991 5.282 -0.368 287 HA2 GLY 42 1HA GLY 42 21.256 4.390 1.198 288 HA3 GLY 42 2HA GLY 42 19.748 3.573 1.579 289 HA PRO 43 HA PRO 43 21.922 1.381 -1.936 290 HB2 PRO 43 1HB PRO 43 21.985 -1.054 -0.739 291 HB3 PRO 43 2HB PRO 43 23.263 0.150 -0.534 292 HG2 PRO 43 1HG PRO 43 20.977 -0.515 1.281 293 HG3 PRO 43 2HG PRO 43 22.674 -0.199 1.688 294 HD2 PRO 43 1HD PRO 43 20.734 1.669 1.976 295 HD3 PRO 43 2HD PRO 43 22.409 2.088 1.562 296 H SER 44 H SER 44 20.565 0.835 -3.512 297 HA SER 44 HA SER 44 17.846 0.159 -3.045 298 HB2 SER 44 1HB SER 44 17.791 -0.242 -5.520 299 HB3 SER 44 2HB SER 44 18.437 1.335 -5.068 300 HG SER 44 HG SER 44 19.771 0.402 -6.614 301 H SER 45 H SER 45 16.813 -1.811 -3.997 302 HA SER 45 HA SER 45 18.424 -4.198 -4.166 303 HB2 SER 45 1HB SER 45 17.966 -3.677 -1.659 304 HB3 SER 45 2HB SER 45 16.323 -4.209 -2.015 305 HG SER 45 HG SER 45 17.535 -6.118 -2.984 306 H GLY 46 H GLY 46 17.506 -5.604 -5.528 307 HA2 GLY 46 1HA GLY 46 15.595 -6.860 -6.292 308 HA3 GLY 46 2HA GLY 46 14.590 -5.466 -5.929 Start of MODEL 18 1 H1 GLY 1 H GLY 1 6.875 -29.334 6.775 2 HA2 GLY 1 1HA GLY 1 6.823 -26.675 7.530 3 HA3 GLY 1 2HA GLY 1 7.667 -26.714 5.989 4 H SER 2 H SER 2 5.100 -25.493 6.657 5 HA SER 2 HA SER 2 3.470 -26.887 4.647 6 HB2 SER 2 1HB SER 2 2.500 -27.455 6.801 7 HB3 SER 2 2HB SER 2 2.478 -25.757 7.276 8 HG SER 2 HG SER 2 1.192 -25.817 5.030 9 H SER 3 H SER 3 2.208 -25.574 3.330 10 HA SER 3 HA SER 3 2.395 -22.678 3.712 11 HB2 SER 3 1HB SER 3 3.105 -22.310 1.408 12 HB3 SER 3 2HB SER 3 4.277 -23.334 2.237 13 HG SER 3 HG SER 3 2.708 -23.881 0.075 14 H GLY 4 H GLY 4 0.343 -22.043 3.781 15 HA2 GLY 4 1HA GLY 4 -1.417 -22.710 1.562 16 HA3 GLY 4 2HA GLY 4 -1.948 -23.257 3.145 17 H SER 5 H SER 5 -3.697 -21.698 2.069 18 HA SER 5 HA SER 5 -3.725 -19.374 3.724 19 HB2 SER 5 1HB SER 5 -2.364 -18.334 2.082 20 HB3 SER 5 2HB SER 5 -3.285 -19.046 0.757 21 HG SER 5 HG SER 5 -3.775 -16.808 1.175 22 H SER 6 H SER 6 -5.771 -18.470 3.904 23 HA SER 6 HA SER 6 -7.898 -19.967 2.524 24 HB2 SER 6 1HB SER 6 -7.925 -20.291 4.940 25 HB3 SER 6 2HB SER 6 -7.948 -18.547 5.198 26 HG SER 6 HG SER 6 -10.025 -18.621 4.980 27 H GLY 7 H GLY 7 -9.823 -18.821 1.908 28 HA2 GLY 7 1HA GLY 7 -9.235 -16.026 1.186 29 HA3 GLY 7 2HA GLY 7 -10.344 -17.083 0.326 30 H THR 8 H THR 8 -9.972 -16.075 3.727 31 HA THR 8 HA THR 8 -12.852 -15.832 3.971 32 HB THR 8 HB THR 8 -11.700 -16.847 5.832 33 HG1 THR 8 HG1 THR 8 -12.381 -14.244 6.727 34 HG21 THR 8 3HG2 THR 8 -9.522 -16.077 5.861 35 HG22 THR 8 1HG2 THR 8 -10.215 -15.203 7.226 36 HG23 THR 8 2HG2 THR 8 -10.003 -14.391 5.675 37 H GLY 9 H GLY 9 -10.149 -13.801 3.371 38 HA2 GLY 9 1HA GLY 9 -11.924 -11.459 3.504 39 HA3 GLY 9 2HA GLY 9 -10.359 -11.394 4.302 40 H GLU 10 H GLU 10 -10.906 -9.520 2.438 41 HA GLU 10 HA GLU 10 -9.287 -10.376 0.128 42 HB2 GLU 10 1HB GLU 10 -11.645 -8.508 0.255 43 HB3 GLU 10 2HB GLU 10 -10.498 -8.457 -1.076 44 HG2 GLU 10 1HG GLU 10 -10.977 -10.876 -1.474 45 HG3 GLU 10 2HG GLU 10 -12.262 -10.754 -0.273 46 H LYS 11 H LYS 11 -7.814 -8.853 -0.731 47 HA LYS 11 HA LYS 11 -7.251 -6.526 0.974 48 HB2 LYS 11 1HB LYS 11 -5.133 -8.388 -0.111 49 HB3 LYS 11 2HB LYS 11 -4.877 -6.992 0.928 50 HG2 LYS 11 1HG LYS 11 -5.877 -8.069 2.780 51 HG3 LYS 11 2HG LYS 11 -6.509 -9.371 1.769 52 HD2 LYS 11 1HD LYS 11 -4.661 -10.362 2.749 53 HD3 LYS 11 2HD LYS 11 -4.007 -9.798 1.209 54 HE2 LYS 11 1HE LYS 11 -2.857 -8.041 2.198 55 HE3 LYS 11 2HE LYS 11 -3.875 -8.056 3.638 56 HZ1 LYS 11 3HZ LYS 11 -1.962 -9.029 4.403 57 HZ2 LYS 11 1HZ LYS 11 -1.621 -9.808 2.940 58 HZ3 LYS 11 2HZ LYS 11 -2.842 -10.401 3.950 59 HA PRO 12 HA PRO 12 -7.387 -5.472 -3.568 60 HB2 PRO 12 1HB PRO 12 -9.093 -3.379 -3.287 61 HB3 PRO 12 2HB PRO 12 -9.644 -5.043 -3.513 62 HG2 PRO 12 1HG PRO 12 -9.413 -3.451 -0.989 63 HG3 PRO 12 2HG PRO 12 -10.719 -4.529 -1.516 64 HD2 PRO 12 1HD PRO 12 -8.828 -5.295 0.264 65 HD3 PRO 12 2HD PRO 12 -9.581 -6.428 -0.876 66 H TYR 13 H TYR 13 -6.684 -3.854 -0.606 67 HA TYR 13 HA TYR 13 -5.254 -1.731 -2.063 68 HB2 TYR 13 1HB TYR 13 -6.160 -1.745 0.824 69 HB3 TYR 13 2HB TYR 13 -5.372 -0.410 -0.010 70 HD1 TYR 13 HD2 TYR 13 -8.490 -2.303 0.365 71 HD2 TYR 13 HD1 TYR 13 -6.593 0.973 -1.578 72 HE1 TYR 13 HE2 TYR 13 -10.689 -1.450 -0.332 73 HE2 TYR 13 HE1 TYR 13 -8.787 1.836 -2.279 74 HH TYR 13 HH TYR 13 -11.178 1.647 -1.482 75 H LYS 14 H LYS 14 -3.177 -2.211 -2.299 76 HA LYS 14 HA LYS 14 -1.627 -2.981 0.043 77 HB2 LYS 14 1HB LYS 14 -2.027 -5.149 -0.786 78 HB3 LYS 14 2HB LYS 14 -1.857 -4.634 -2.459 79 HG2 LYS 14 1HG LYS 14 0.457 -4.576 -2.342 80 HG3 LYS 14 2HG LYS 14 0.463 -4.476 -0.580 81 HD2 LYS 14 1HD LYS 14 -0.595 -6.817 -0.646 82 HD3 LYS 14 2HD LYS 14 -0.066 -6.858 -2.330 83 HE2 LYS 14 1HE LYS 14 2.217 -6.626 -1.700 84 HE3 LYS 14 2HE LYS 14 1.784 -6.254 -0.032 85 HZ1 LYS 14 3HZ LYS 14 2.528 -8.506 -0.155 86 HZ2 LYS 14 1HZ LYS 14 1.454 -8.860 -1.414 87 HZ3 LYS 14 2HZ LYS 14 0.861 -8.525 0.134 88 H CYS 15 H CYS 15 0.257 -1.927 0.116 89 HA CYS 15 HA CYS 15 0.930 -0.061 -1.934 90 HB2 CYS 15 1HB CYS 15 1.404 0.587 0.306 91 HB3 CYS 15 2HB CYS 15 2.297 -0.897 0.621 92 H ASN 16 H ASN 16 2.795 0.003 -3.230 93 HA ASN 16 HA ASN 16 3.857 -2.653 -3.875 94 HB2 ASN 16 1HB ASN 16 2.740 -1.060 -5.602 95 HB3 ASN 16 2HB ASN 16 4.277 -0.201 -5.560 96 HD21 ASN 16 1HD2 ASN 16 5.712 -0.810 -6.998 97 HD22 ASN 16 2HD2 ASN 16 5.794 -2.354 -7.769 98 H GLU 17 H GLU 17 4.799 0.545 -2.837 99 HA GLU 17 HA GLU 17 7.527 0.502 -3.313 100 HB2 GLU 17 1HB GLU 17 5.994 1.694 -0.999 101 HB3 GLU 17 2HB GLU 17 7.697 2.006 -1.305 102 HG2 GLU 17 1HG GLU 17 5.772 2.489 -3.510 103 HG3 GLU 17 2HG GLU 17 5.804 3.626 -2.163 104 H CYS 18 H CYS 18 5.827 -0.589 -0.376 105 HA CYS 18 HA CYS 18 8.221 -2.160 0.317 106 HB2 CYS 18 1HB CYS 18 7.431 -2.074 2.647 107 HB3 CYS 18 2HB CYS 18 7.682 -0.460 1.989 108 H GLY 19 H GLY 19 4.664 -2.208 0.405 109 HA2 GLY 19 1HA GLY 19 3.669 -4.249 -0.634 110 HA3 GLY 19 2HA GLY 19 4.815 -5.160 0.338 111 H LYS 20 H LYS 20 3.215 -2.340 1.608 112 HA LYS 20 HA LYS 20 2.125 -3.854 3.779 113 HB2 LYS 20 1HB LYS 20 2.953 -1.344 3.645 114 HB3 LYS 20 2HB LYS 20 1.270 -1.046 3.232 115 HG2 LYS 20 1HG LYS 20 0.505 -1.675 5.306 116 HG3 LYS 20 2HG LYS 20 1.915 -2.684 5.637 117 HD2 LYS 20 1HD LYS 20 3.268 -0.819 6.116 118 HD3 LYS 20 2HD LYS 20 2.119 0.304 5.384 119 HE2 LYS 20 1HE LYS 20 1.979 0.497 7.776 120 HE3 LYS 20 2HE LYS 20 0.503 -0.259 7.178 121 HZ1 LYS 20 3HZ LYS 20 2.726 -1.965 8.057 122 HZ2 LYS 20 1HZ LYS 20 1.063 -2.274 8.073 123 HZ3 LYS 20 2HZ LYS 20 1.741 -1.238 9.224 124 H VAL 21 H VAL 21 -0.241 -3.372 4.433 125 HA VAL 21 HA VAL 21 -2.024 -3.417 2.106 126 HB VAL 21 HB VAL 21 -2.030 -5.484 4.308 127 HG11 VAL 21 1HG1 VAL 21 -3.903 -6.352 2.595 128 HG12 VAL 21 2HG1 VAL 21 -4.269 -5.351 4.002 129 HG13 VAL 21 3HG1 VAL 21 -4.116 -4.612 2.407 130 HG21 VAL 21 3HG2 VAL 21 -1.970 -6.169 1.420 131 HG22 VAL 21 1HG2 VAL 21 -0.489 -5.549 2.150 132 HG23 VAL 21 2HG2 VAL 21 -1.249 -7.002 2.797 133 H PHE 22 H PHE 22 -4.130 -2.711 2.503 134 HA PHE 22 HA PHE 22 -4.804 -1.840 5.207 135 HB2 PHE 22 1HB PHE 22 -4.845 0.035 2.832 136 HB3 PHE 22 2HB PHE 22 -5.396 0.417 4.460 137 HD1 PHE 22 HD2 PHE 22 -2.485 -0.137 2.320 138 HD2 PHE 22 HD1 PHE 22 -3.825 0.836 6.241 139 HE1 PHE 22 HE2 PHE 22 -0.217 0.616 2.905 140 HE2 PHE 22 HE1 PHE 22 -1.560 1.592 6.832 141 HZ PHE 22 HZ PHE 22 0.248 1.482 5.163 142 H THR 23 H THR 23 -7.093 -1.018 5.304 143 HA THR 23 HA THR 23 -8.766 -2.729 3.610 144 HB THR 23 HB THR 23 -9.049 -3.052 6.008 145 HG1 THR 23 HG1 THR 23 -11.374 -1.651 5.263 146 HG21 THR 23 3HG2 THR 23 -10.033 -1.233 7.387 147 HG22 THR 23 1HG2 THR 23 -9.772 -0.120 6.045 148 HG23 THR 23 2HG2 THR 23 -8.394 -0.882 6.840 149 H GLN 24 H GLN 24 -8.354 0.614 4.637 150 HA GLN 24 HA GLN 24 -10.392 1.417 2.668 151 HB2 GLN 24 1HB GLN 24 -10.954 2.073 4.958 152 HB3 GLN 24 2HB GLN 24 -9.411 2.903 5.111 153 HG2 GLN 24 1HG GLN 24 -10.757 4.668 4.634 154 HG3 GLN 24 2HG GLN 24 -10.280 4.206 3.001 155 HE21 GLN 24 1HE2 GLN 24 -11.775 3.260 1.640 156 HE22 GLN 24 2HE2 GLN 24 -13.469 3.248 1.982 157 H ASN 25 H ASN 25 -9.768 2.566 0.954 158 HA ASN 25 HA ASN 25 -7.267 2.847 0.019 159 HB2 ASN 25 1HB ASN 25 -9.334 3.467 -1.221 160 HB3 ASN 25 2HB ASN 25 -9.393 4.975 -0.313 161 HD21 ASN 25 1HD2 ASN 25 -9.090 4.423 -3.198 162 HD22 ASN 25 2HD2 ASN 25 -7.653 5.256 -3.674 163 H SER 26 H SER 26 -8.914 5.356 1.940 164 HA SER 26 HA SER 26 -6.968 7.268 2.062 165 HB2 SER 26 1HB SER 26 -8.651 6.402 4.424 166 HB3 SER 26 2HB SER 26 -7.931 7.991 4.167 167 HG SER 26 HG SER 26 -10.265 7.583 3.570 168 H HIS 27 H HIS 27 -7.293 4.512 4.297 169 HA HIS 27 HA HIS 27 -5.080 4.989 5.885 170 HB2 HIS 27 1HB HIS 27 -6.103 2.283 4.999 171 HB3 HIS 27 2HB HIS 27 -5.115 2.606 6.421 172 HD1 HIS 27 HD1 HIS 27 -7.874 1.252 6.666 173 HD2 HIS 27 HD2 HIS 27 -7.224 5.335 7.067 174 HE1 HIS 27 HE1 HIS 27 -9.801 2.108 8.036 175 H LEU 28 H LEU 28 -5.258 3.591 2.678 176 HA LEU 28 HA LEU 28 -2.493 2.766 2.669 177 HB2 LEU 28 1HB LEU 28 -3.857 1.412 1.355 178 HB3 LEU 28 2HB LEU 28 -4.706 2.788 0.653 179 HG LEU 28 HG LEU 28 -2.649 3.335 -0.628 180 HD11 LEU 28 1HD1 LEU 28 -1.678 0.692 0.449 181 HD12 LEU 28 2HD1 LEU 28 -1.017 2.279 0.841 182 HD13 LEU 28 3HD1 LEU 28 -0.888 1.652 -0.802 183 HD21 LEU 28 3HD2 LEU 28 -4.595 1.508 -1.181 184 HD22 LEU 28 1HD2 LEU 28 -3.128 0.560 -1.431 185 HD23 LEU 28 2HD2 LEU 28 -3.371 2.061 -2.325 186 H ALA 29 H ALA 29 -4.286 4.982 0.522 187 HA ALA 29 HA ALA 29 -2.318 6.262 -0.764 188 HB1 ALA 29 3HB ALA 29 -3.746 8.047 -1.124 189 HB2 ALA 29 1HB ALA 29 -4.861 6.747 -0.701 190 HB3 ALA 29 2HB ALA 29 -4.428 7.964 0.500 191 H ARG 30 H ARG 30 -3.330 7.046 2.552 192 HA ARG 30 HA ARG 30 -1.489 9.144 2.947 193 HB2 ARG 30 1HB ARG 30 -2.067 9.027 5.255 194 HB3 ARG 30 2HB ARG 30 -3.526 8.653 4.347 195 HG2 ARG 30 1HG ARG 30 -3.183 6.274 4.759 196 HG3 ARG 30 2HG ARG 30 -1.709 6.641 5.657 197 HD2 ARG 30 1HD ARG 30 -3.239 8.144 7.097 198 HD3 ARG 30 2HD ARG 30 -4.558 7.216 6.383 199 HE ARG 30 HE ARG 30 -2.966 5.271 7.283 200 HH11 ARG 30 1HH1 ARG 30 -4.099 8.194 8.797 201 HH12 ARG 30 2HH1 ARG 30 -4.080 7.528 10.396 202 HH21 ARG 30 1HH2 ARG 30 -2.937 4.383 9.384 203 HH22 ARG 30 2HH2 ARG 30 -3.418 5.360 10.729 204 H HIS 31 H HIS 31 -1.312 5.672 3.596 205 HA HIS 31 HA HIS 31 1.105 5.625 4.990 206 HB2 HIS 31 1HB HIS 31 0.049 3.584 5.069 207 HB3 HIS 31 2HB HIS 31 -0.434 3.648 3.376 208 HD1 HIS 31 HD1 HIS 31 2.589 2.915 5.523 209 HD2 HIS 31 HD2 HIS 31 1.227 2.322 1.643 210 HE1 HIS 31 HE1 HIS 31 4.263 1.375 4.451 211 H ARG 32 H ARG 32 0.557 5.077 1.507 212 HA ARG 32 HA ARG 32 3.086 4.707 0.607 213 HB2 ARG 32 1HB ARG 32 1.042 6.502 -0.713 214 HB3 ARG 32 2HB ARG 32 2.405 5.728 -1.509 215 HG2 ARG 32 1HG ARG 32 1.438 3.527 -0.965 216 HG3 ARG 32 2HG ARG 32 0.044 4.344 -0.256 217 HD2 ARG 32 1HD ARG 32 0.952 4.517 -3.127 218 HD3 ARG 32 2HD ARG 32 -0.446 3.627 -2.526 219 HE ARG 32 HE ARG 32 -0.626 6.353 -1.796 220 HH11 ARG 32 1HH1 ARG 32 -0.931 4.226 -4.535 221 HH12 ARG 32 2HH1 ARG 32 -2.054 5.249 -5.369 222 HH21 ARG 32 1HH2 ARG 32 -2.104 7.708 -2.884 223 HH22 ARG 32 2HH2 ARG 32 -2.719 7.229 -4.429 224 H GLY 33 H GLY 33 1.800 7.606 1.981 225 HA2 GLY 33 1HA GLY 33 3.480 9.557 0.935 226 HA3 GLY 33 2HA GLY 33 2.796 9.593 2.553 227 H ILE 34 H ILE 34 4.075 7.302 3.595 228 HA ILE 34 HA ILE 34 6.397 8.339 4.642 229 HB ILE 34 HB ILE 34 6.952 6.153 5.432 230 HG12 ILE 34 1HG1 ILE 34 4.924 4.972 3.534 231 HG13 ILE 34 2HG1 ILE 34 6.638 5.076 3.146 232 HG21 ILE 34 1HG2 ILE 34 5.235 6.325 6.824 233 HG22 ILE 34 2HG2 ILE 34 4.325 7.237 5.621 234 HG23 ILE 34 3HG2 ILE 34 4.220 5.478 5.657 235 HD11 ILE 34 3HD1 ILE 34 5.213 3.227 4.892 236 HD12 ILE 34 1HD1 ILE 34 6.753 3.044 4.052 237 HD13 ILE 34 2HD1 ILE 34 6.686 3.891 5.598 238 H HIS 35 H HIS 35 5.926 6.699 1.605 239 HA HIS 35 HA HIS 35 8.754 6.333 1.127 240 HB2 HIS 35 1HB HIS 35 6.428 6.010 -0.780 241 HB3 HIS 35 2HB HIS 35 8.073 5.437 -1.036 242 HD1 HIS 35 HD1 HIS 35 8.819 3.781 1.187 243 HD2 HIS 35 HD2 HIS 35 4.846 3.975 -0.013 244 HE1 HIS 35 HE1 HIS 35 7.741 1.697 2.091 245 H THR 36 H THR 36 6.190 8.523 0.105 246 HA THR 36 HA THR 36 7.918 9.947 -1.722 247 HB THR 36 HB THR 36 5.987 11.497 -1.976 248 HG1 THR 36 HG1 THR 36 5.037 11.283 0.068 249 HG21 THR 36 3HG2 THR 36 5.756 8.555 -2.404 250 HG22 THR 36 1HG2 THR 36 5.890 9.857 -3.585 251 HG23 THR 36 2HG2 THR 36 4.361 9.575 -2.753 252 H GLY 37 H GLY 37 8.979 9.890 0.871 253 HA2 GLY 37 1HA GLY 37 8.919 12.767 1.495 254 HA3 GLY 37 2HA GLY 37 8.740 11.593 2.791 255 H GLU 38 H GLU 38 10.523 10.212 3.297 256 HA GLU 38 HA GLU 38 13.022 11.555 3.197 257 HB2 GLU 38 1HB GLU 38 12.365 10.130 5.086 258 HB3 GLU 38 2HB GLU 38 12.386 8.720 4.035 259 HG2 GLU 38 1HG GLU 38 14.402 8.643 5.214 260 HG3 GLU 38 2HG GLU 38 14.826 9.246 3.613 261 H LYS 39 H LYS 39 14.984 10.852 2.239 262 HA LYS 39 HA LYS 39 14.960 10.312 -0.429 263 HB2 LYS 39 1HB LYS 39 17.310 9.541 -0.175 264 HB3 LYS 39 2HB LYS 39 16.975 11.043 0.675 265 HG2 LYS 39 1HG LYS 39 16.980 9.974 2.775 266 HG3 LYS 39 2HG LYS 39 16.913 8.369 2.041 267 HD2 LYS 39 1HD LYS 39 19.216 10.259 1.615 268 HD3 LYS 39 2HD LYS 39 19.165 9.104 2.949 269 HE2 LYS 39 1HE LYS 39 19.413 7.296 1.572 270 HE3 LYS 39 2HE LYS 39 18.637 8.093 0.205 271 HZ1 LYS 39 3HZ LYS 39 21.089 9.358 0.968 272 HZ2 LYS 39 1HZ LYS 39 20.587 8.808 -0.552 273 HZ3 LYS 39 2HZ LYS 39 21.315 7.738 0.538 274 HA PRO 40 HA PRO 40 13.657 6.110 -0.835 275 HB2 PRO 40 1HB PRO 40 14.429 5.735 -3.411 276 HB3 PRO 40 2HB PRO 40 13.009 6.686 -2.963 277 HG2 PRO 40 1HG PRO 40 15.759 7.617 -3.690 278 HG3 PRO 40 2HG PRO 40 14.188 8.271 -4.188 279 HD2 PRO 40 1HD PRO 40 15.677 9.394 -2.226 280 HD3 PRO 40 2HD PRO 40 13.902 9.428 -2.215 281 H SER 41 H SER 41 14.517 4.016 -0.972 282 HA SER 41 HA SER 41 17.225 3.760 -0.133 283 HB2 SER 41 1HB SER 41 16.781 1.344 -0.134 284 HB3 SER 41 2HB SER 41 15.462 2.223 0.638 285 HG SER 41 HG SER 41 14.188 1.380 -0.787 286 H GLY 42 H GLY 42 15.504 2.929 -3.129 287 HA2 GLY 42 1HA GLY 42 17.490 3.577 -4.905 288 HA3 GLY 42 2HA GLY 42 17.853 1.925 -4.428 289 HA PRO 43 HA PRO 43 13.599 2.038 -6.800 290 HB2 PRO 43 1HB PRO 43 13.376 4.112 -8.538 291 HB3 PRO 43 2HB PRO 43 12.781 4.184 -6.875 292 HG2 PRO 43 1HG PRO 43 15.329 5.256 -8.022 293 HG3 PRO 43 2HG PRO 43 14.214 6.015 -6.872 294 HD2 PRO 43 1HD PRO 43 16.520 4.826 -6.097 295 HD3 PRO 43 2HD PRO 43 15.065 4.842 -5.080 296 H SER 44 H SER 44 13.942 0.433 -8.196 297 HA SER 44 HA SER 44 16.156 0.369 -9.989 298 HB2 SER 44 1HB SER 44 13.713 -1.405 -9.781 299 HB3 SER 44 2HB SER 44 15.097 -1.734 -10.823 300 HG SER 44 HG SER 44 15.909 -1.210 -8.307 301 H SER 45 H SER 45 12.641 0.386 -10.609 302 HA SER 45 HA SER 45 13.068 1.124 -13.369 303 HB2 SER 45 1HB SER 45 11.205 -0.407 -12.457 304 HB3 SER 45 2HB SER 45 10.400 1.084 -11.967 305 HG SER 45 HG SER 45 9.719 1.174 -13.943 306 H GLY 46 H GLY 46 11.570 2.939 -14.240 307 HA2 GLY 46 1HA GLY 46 10.542 5.090 -13.162 308 HA3 GLY 46 2HA GLY 46 12.214 5.338 -12.681 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -4.105 -29.159 -10.839 2 HA2 GLY 1 1HA GLY 1 -5.499 -29.150 -8.893 3 HA3 GLY 1 2HA GLY 1 -6.075 -30.749 -9.342 4 H SER 2 H SER 2 -2.991 -29.138 -8.557 5 HA SER 2 HA SER 2 -2.106 -31.594 -7.233 6 HB2 SER 2 1HB SER 2 -0.617 -29.097 -8.064 7 HB3 SER 2 2HB SER 2 0.121 -30.414 -7.153 8 HG SER 2 HG SER 2 0.536 -30.963 -9.199 9 H SER 3 H SER 3 -1.975 -28.088 -6.576 10 HA SER 3 HA SER 3 -3.020 -28.410 -3.935 11 HB2 SER 3 1HB SER 3 -0.465 -29.090 -3.927 12 HB3 SER 3 2HB SER 3 -0.225 -27.343 -3.911 13 HG SER 3 HG SER 3 -0.988 -28.985 -1.905 14 H GLY 4 H GLY 4 -3.699 -26.481 -3.059 15 HA2 GLY 4 1HA GLY 4 -2.796 -23.960 -4.161 16 HA3 GLY 4 2HA GLY 4 -4.444 -24.390 -4.590 17 H SER 5 H SER 5 -3.794 -22.094 -3.131 18 HA SER 5 HA SER 5 -5.112 -22.717 -0.579 19 HB2 SER 5 1HB SER 5 -3.667 -21.292 0.657 20 HB3 SER 5 2HB SER 5 -2.606 -22.291 -0.337 21 HG SER 5 HG SER 5 -1.886 -20.245 -0.617 22 H SER 6 H SER 6 -6.376 -21.007 0.307 23 HA SER 6 HA SER 6 -7.123 -18.953 -1.671 24 HB2 SER 6 1HB SER 6 -9.395 -19.171 -1.078 25 HB3 SER 6 2HB SER 6 -8.809 -20.832 -1.163 26 HG SER 6 HG SER 6 -10.094 -20.191 0.754 27 H GLY 7 H GLY 7 -8.204 -17.019 -0.660 28 HA2 GLY 7 1HA GLY 7 -6.724 -16.292 1.786 29 HA3 GLY 7 2HA GLY 7 -7.253 -15.155 0.554 30 H THR 8 H THR 8 -7.846 -16.168 3.600 31 HA THR 8 HA THR 8 -10.646 -16.361 3.745 32 HB THR 8 HB THR 8 -8.808 -15.284 5.890 33 HG1 THR 8 HG1 THR 8 -9.648 -17.979 5.573 34 HG21 THR 8 3HG2 THR 8 -10.803 -14.968 6.895 35 HG22 THR 8 1HG2 THR 8 -10.749 -16.712 7.143 36 HG23 THR 8 2HG2 THR 8 -11.649 -16.043 5.782 37 H GLY 9 H GLY 9 -8.509 -13.563 4.325 38 HA2 GLY 9 1HA GLY 9 -10.823 -11.792 4.393 39 HA3 GLY 9 2HA GLY 9 -9.157 -11.343 4.726 40 H GLU 10 H GLU 10 -9.444 -9.495 3.382 41 HA GLU 10 HA GLU 10 -8.977 -10.107 0.566 42 HB2 GLU 10 1HB GLU 10 -11.476 -9.542 1.127 43 HB3 GLU 10 2HB GLU 10 -10.883 -7.889 1.214 44 HG2 GLU 10 1HG GLU 10 -9.930 -8.242 -1.096 45 HG3 GLU 10 2HG GLU 10 -10.855 -9.741 -1.149 46 H LYS 11 H LYS 11 -7.542 -8.764 -0.394 47 HA LYS 11 HA LYS 11 -6.696 -6.376 1.109 48 HB2 LYS 11 1HB LYS 11 -4.370 -6.861 0.277 49 HB3 LYS 11 2HB LYS 11 -4.985 -7.996 1.472 50 HG2 LYS 11 1HG LYS 11 -5.700 -9.383 -0.610 51 HG3 LYS 11 2HG LYS 11 -4.499 -8.394 -1.444 52 HD2 LYS 11 1HD LYS 11 -3.203 -10.170 -0.780 53 HD3 LYS 11 2HD LYS 11 -2.986 -9.079 0.590 54 HE2 LYS 11 1HE LYS 11 -5.027 -10.318 1.587 55 HE3 LYS 11 2HE LYS 11 -4.658 -11.556 0.388 56 HZ1 LYS 11 3HZ LYS 11 -2.951 -12.275 1.591 57 HZ2 LYS 11 1HZ LYS 11 -3.529 -11.319 2.861 58 HZ3 LYS 11 2HZ LYS 11 -2.336 -10.717 1.825 59 HA PRO 12 HA PRO 12 -7.827 -5.332 -3.298 60 HB2 PRO 12 1HB PRO 12 -9.471 -3.270 -2.654 61 HB3 PRO 12 2HB PRO 12 -10.028 -4.944 -2.764 62 HG2 PRO 12 1HG PRO 12 -9.294 -3.346 -0.341 63 HG3 PRO 12 2HG PRO 12 -10.663 -4.447 -0.583 64 HD2 PRO 12 1HD PRO 12 -8.424 -5.177 0.754 65 HD3 PRO 12 2HD PRO 12 -9.381 -6.325 -0.205 66 H TYR 13 H TYR 13 -6.510 -3.723 -0.557 67 HA TYR 13 HA TYR 13 -5.251 -1.745 -2.338 68 HB2 TYR 13 1HB TYR 13 -6.144 -1.234 0.507 69 HB3 TYR 13 2HB TYR 13 -5.361 -0.076 -0.563 70 HD1 TYR 13 HD1 TYR 13 -6.588 0.787 -2.550 71 HD2 TYR 13 HD2 TYR 13 -8.485 -1.643 0.381 72 HE1 TYR 13 HE1 TYR 13 -8.786 1.516 -3.378 73 HE2 TYR 13 HE2 TYR 13 -10.689 -0.923 -0.439 74 HH TYR 13 HH TYR 13 -11.345 0.223 -3.186 75 H LYS 14 H LYS 14 -3.248 -2.568 -2.523 76 HA LYS 14 HA LYS 14 -1.722 -2.950 -0.039 77 HB2 LYS 14 1HB LYS 14 -2.047 -5.173 -0.702 78 HB3 LYS 14 2HB LYS 14 -1.900 -4.783 -2.411 79 HG2 LYS 14 1HG LYS 14 0.423 -4.642 -2.303 80 HG3 LYS 14 2HG LYS 14 0.424 -4.475 -0.546 81 HD2 LYS 14 1HD LYS 14 -0.264 -6.775 -0.285 82 HD3 LYS 14 2HD LYS 14 -0.431 -6.958 -2.033 83 HE2 LYS 14 1HE LYS 14 1.984 -6.515 -2.277 84 HE3 LYS 14 2HE LYS 14 2.124 -6.417 -0.522 85 HZ1 LYS 14 3HZ LYS 14 2.766 -8.591 -1.232 86 HZ2 LYS 14 1HZ LYS 14 1.336 -8.797 -2.111 87 HZ3 LYS 14 2HZ LYS 14 1.287 -8.724 -0.422 88 H CYS 15 H CYS 15 0.154 -1.880 0.020 89 HA CYS 15 HA CYS 15 0.871 -0.094 -2.056 90 HB2 CYS 15 1HB CYS 15 1.386 0.485 0.220 91 HB3 CYS 15 2HB CYS 15 2.343 -0.979 0.430 92 H ASN 16 H ASN 16 3.004 -0.012 -3.112 93 HA ASN 16 HA ASN 16 3.868 -2.712 -3.906 94 HB2 ASN 16 1HB ASN 16 3.725 -0.113 -5.412 95 HB3 ASN 16 2HB ASN 16 4.778 -1.415 -5.955 96 HD21 ASN 16 1HD2 ASN 16 3.620 -1.695 -7.850 97 HD22 ASN 16 2HD2 ASN 16 2.057 -2.433 -7.876 98 H GLU 17 H GLU 17 4.943 0.464 -2.880 99 HA GLU 17 HA GLU 17 7.679 0.237 -3.292 100 HB2 GLU 17 1HB GLU 17 6.062 1.688 -1.212 101 HB3 GLU 17 2HB GLU 17 7.819 1.763 -1.217 102 HG2 GLU 17 1HG GLU 17 6.068 2.557 -3.531 103 HG3 GLU 17 2HG GLU 17 6.740 3.674 -2.345 104 H CYS 18 H CYS 18 5.940 -0.430 -0.246 105 HA CYS 18 HA CYS 18 8.204 -2.082 0.616 106 HB2 CYS 18 1HB CYS 18 7.224 -1.930 2.861 107 HB3 CYS 18 2HB CYS 18 7.479 -0.330 2.171 108 H GLY 19 H GLY 19 4.657 -2.179 0.368 109 HA2 GLY 19 1HA GLY 19 3.694 -4.204 -0.642 110 HA3 GLY 19 2HA GLY 19 4.862 -5.126 0.292 111 H LYS 20 H LYS 20 3.131 -2.388 1.607 112 HA LYS 20 HA LYS 20 2.061 -4.051 3.709 113 HB2 LYS 20 1HB LYS 20 2.963 -1.564 3.787 114 HB3 LYS 20 2HB LYS 20 1.292 -1.183 3.392 115 HG2 LYS 20 1HG LYS 20 0.494 -1.955 5.404 116 HG3 LYS 20 2HG LYS 20 1.869 -3.032 5.657 117 HD2 LYS 20 1HD LYS 20 3.236 -1.323 6.408 118 HD3 LYS 20 2HD LYS 20 2.290 -0.073 5.597 119 HE2 LYS 20 1HE LYS 20 0.543 -0.244 7.207 120 HE3 LYS 20 2HE LYS 20 1.254 -1.694 7.914 121 HZ1 LYS 20 3HZ LYS 20 2.038 -0.186 9.379 122 HZ2 LYS 20 1HZ LYS 20 1.984 1.101 8.282 123 HZ3 LYS 20 2HZ LYS 20 3.262 -0.005 8.225 124 H VAL 21 H VAL 21 -0.266 -3.736 4.380 125 HA VAL 21 HA VAL 21 -2.044 -3.503 2.048 126 HB VAL 21 HB VAL 21 -2.157 -5.680 4.140 127 HG11 VAL 21 1HG1 VAL 21 -4.173 -4.600 2.318 128 HG12 VAL 21 2HG1 VAL 21 -3.962 -6.349 2.199 129 HG13 VAL 21 3HG1 VAL 21 -4.362 -5.611 3.750 130 HG21 VAL 21 3HG2 VAL 21 -1.910 -7.147 2.099 131 HG22 VAL 21 1HG2 VAL 21 -1.483 -5.687 1.207 132 HG23 VAL 21 2HG2 VAL 21 -0.480 -6.222 2.556 133 H PHE 22 H PHE 22 -4.045 -2.618 2.428 134 HA PHE 22 HA PHE 22 -4.730 -1.906 5.188 135 HB2 PHE 22 1HB PHE 22 -4.821 0.064 2.896 136 HB3 PHE 22 2HB PHE 22 -5.229 0.386 4.578 137 HD1 PHE 22 HD1 PHE 22 -3.487 0.579 6.266 138 HD2 PHE 22 HD2 PHE 22 -2.539 -0.063 2.166 139 HE1 PHE 22 HE1 PHE 22 -1.157 1.237 6.705 140 HE2 PHE 22 HE2 PHE 22 -0.207 0.593 2.599 141 HZ PHE 22 HZ PHE 22 0.487 1.243 4.871 142 H THR 23 H THR 23 -6.969 -1.392 5.510 143 HA THR 23 HA THR 23 -8.694 -2.685 3.512 144 HB THR 23 HB THR 23 -8.712 -3.674 5.782 145 HG1 THR 23 HG1 THR 23 -10.777 -4.083 5.496 146 HG21 THR 23 3HG2 THR 23 -8.847 -2.431 7.627 147 HG22 THR 23 1HG2 THR 23 -10.339 -1.678 7.065 148 HG23 THR 23 2HG2 THR 23 -8.779 -0.992 6.609 149 H GLN 24 H GLN 24 -7.788 0.079 3.302 150 HA GLN 24 HA GLN 24 -10.245 1.296 2.631 151 HB2 GLN 24 1HB GLN 24 -10.549 1.669 4.977 152 HB3 GLN 24 2HB GLN 24 -8.902 2.258 5.156 153 HG2 GLN 24 1HG GLN 24 -9.392 4.312 4.311 154 HG3 GLN 24 2HG GLN 24 -10.691 3.704 3.287 155 HE21 GLN 24 1HE2 GLN 24 -12.401 2.516 4.884 156 HE22 GLN 24 2HE2 GLN 24 -13.004 3.581 6.102 157 H ASN 25 H ASN 25 -9.604 2.190 0.787 158 HA ASN 25 HA ASN 25 -7.193 2.782 -0.183 159 HB2 ASN 25 1HB ASN 25 -8.193 4.169 -1.758 160 HB3 ASN 25 2HB ASN 25 -9.565 3.227 -1.181 161 HD21 ASN 25 1HD2 ASN 25 -11.203 4.226 -0.130 162 HD22 ASN 25 2HD2 ASN 25 -11.294 5.934 0.113 163 H SER 26 H SER 26 -8.982 4.850 2.052 164 HA SER 26 HA SER 26 -7.353 7.095 2.032 165 HB2 SER 26 1HB SER 26 -9.591 6.597 3.302 166 HB3 SER 26 2HB SER 26 -8.519 6.108 4.614 167 HG SER 26 HG SER 26 -8.690 8.204 4.999 168 H HIS 27 H HIS 27 -7.258 4.600 4.579 169 HA HIS 27 HA HIS 27 -4.949 5.300 5.833 170 HB2 HIS 27 1HB HIS 27 -5.618 2.419 5.231 171 HB3 HIS 27 2HB HIS 27 -4.781 3.061 6.642 172 HD1 HIS 27 HD1 HIS 27 -7.323 1.290 6.877 173 HD2 HIS 27 HD2 HIS 27 -7.311 5.444 6.940 174 HE1 HIS 27 HE1 HIS 27 -9.433 1.950 8.075 175 H LEU 28 H LEU 28 -5.264 3.754 2.721 176 HA LEU 28 HA LEU 28 -2.510 3.007 2.493 177 HB2 LEU 28 1HB LEU 28 -3.923 1.722 1.179 178 HB3 LEU 28 2HB LEU 28 -4.843 3.121 0.628 179 HG LEU 28 HG LEU 28 -2.886 3.788 -0.758 180 HD11 LEU 28 1HD1 LEU 28 -1.673 1.604 0.703 181 HD12 LEU 28 2HD1 LEU 28 -0.921 2.877 -0.258 182 HD13 LEU 28 3HD1 LEU 28 -1.501 1.407 -1.041 183 HD21 LEU 28 3HD2 LEU 28 -4.852 2.348 -1.526 184 HD22 LEU 28 1HD2 LEU 28 -3.733 0.987 -1.431 185 HD23 LEU 28 2HD2 LEU 28 -3.395 2.332 -2.521 186 H ALA 29 H ALA 29 -4.418 5.372 0.620 187 HA ALA 29 HA ALA 29 -2.467 6.694 -0.701 188 HB1 ALA 29 3HB ALA 29 -4.631 8.250 0.678 189 HB2 ALA 29 1HB ALA 29 -3.902 8.531 -0.904 190 HB3 ALA 29 2HB ALA 29 -4.980 7.156 -0.660 191 H ARG 30 H ARG 30 -3.279 7.082 2.709 192 HA ARG 30 HA ARG 30 -1.470 9.259 3.135 193 HB2 ARG 30 1HB ARG 30 -1.978 8.968 5.496 194 HB3 ARG 30 2HB ARG 30 -3.457 8.910 4.547 195 HG2 ARG 30 1HG ARG 30 -3.553 6.518 4.742 196 HG3 ARG 30 2HG ARG 30 -1.980 6.484 5.542 197 HD2 ARG 30 1HD ARG 30 -4.490 7.780 6.601 198 HD3 ARG 30 2HD ARG 30 -3.796 6.257 7.156 199 HE ARG 30 HE ARG 30 -2.180 7.434 8.312 200 HH11 ARG 30 1HH1 ARG 30 -4.014 9.582 6.276 201 HH12 ARG 30 2HH1 ARG 30 -3.380 11.022 7.002 202 HH21 ARG 30 1HH2 ARG 30 -1.338 9.323 9.275 203 HH22 ARG 30 2HH2 ARG 30 -1.857 10.873 8.707 204 H HIS 31 H HIS 31 -1.303 5.772 3.380 205 HA HIS 31 HA HIS 31 1.091 5.606 4.873 206 HB2 HIS 31 1HB HIS 31 -0.013 3.586 4.845 207 HB3 HIS 31 2HB HIS 31 -0.480 3.742 3.155 208 HD1 HIS 31 HD1 HIS 31 2.518 2.860 5.283 209 HD2 HIS 31 HD2 HIS 31 1.166 2.464 1.374 210 HE1 HIS 31 HE1 HIS 31 4.172 1.342 4.150 211 H ARG 32 H ARG 32 0.475 5.452 1.372 212 HA ARG 32 HA ARG 32 2.974 4.996 0.393 213 HB2 ARG 32 1HB ARG 32 0.841 6.866 -0.632 214 HB3 ARG 32 2HB ARG 32 2.306 6.510 -1.537 215 HG2 ARG 32 1HG ARG 32 1.684 4.332 -1.952 216 HG3 ARG 32 2HG ARG 32 0.592 4.270 -0.567 217 HD2 ARG 32 1HD ARG 32 -0.923 4.423 -2.277 218 HD3 ARG 32 2HD ARG 32 -0.689 6.131 -1.909 219 HE ARG 32 HE ARG 32 0.206 6.399 -3.988 220 HH11 ARG 32 1HH1 ARG 32 0.347 3.025 -3.143 221 HH12 ARG 32 2HH1 ARG 32 0.927 2.526 -4.697 222 HH21 ARG 32 1HH2 ARG 32 0.970 5.755 -6.038 223 HH22 ARG 32 2HH2 ARG 32 1.283 4.079 -6.343 224 H GLY 33 H GLY 33 1.893 7.794 2.098 225 HA2 GLY 33 1HA GLY 33 3.666 9.748 1.215 226 HA3 GLY 33 2HA GLY 33 3.009 9.656 2.842 227 H ILE 34 H ILE 34 4.150 7.259 3.695 228 HA ILE 34 HA ILE 34 6.582 8.063 4.714 229 HB ILE 34 HB ILE 34 6.943 5.843 5.453 230 HG12 ILE 34 1HG1 ILE 34 4.963 4.903 3.368 231 HG13 ILE 34 2HG1 ILE 34 6.712 4.779 3.211 232 HG21 ILE 34 1HG2 ILE 34 4.916 5.333 6.537 233 HG22 ILE 34 2HG2 ILE 34 4.881 7.075 6.270 234 HG23 ILE 34 3HG2 ILE 34 3.952 6.003 5.222 235 HD11 ILE 34 3HD1 ILE 34 6.289 2.704 3.989 236 HD12 ILE 34 1HD1 ILE 34 6.426 3.531 5.540 237 HD13 ILE 34 2HD1 ILE 34 4.835 3.202 4.854 238 H HIS 35 H HIS 35 5.871 6.870 1.573 239 HA HIS 35 HA HIS 35 8.664 6.235 1.005 240 HB2 HIS 35 1HB HIS 35 6.238 6.051 -0.793 241 HB3 HIS 35 2HB HIS 35 7.846 5.434 -1.157 242 HD1 HIS 35 HD1 HIS 35 8.627 3.763 1.105 243 HD2 HIS 35 HD2 HIS 35 4.665 3.971 -0.130 244 HE1 HIS 35 HE1 HIS 35 7.540 1.669 1.975 245 H THR 36 H THR 36 6.117 8.454 -0.074 246 HA THR 36 HA THR 36 8.212 10.131 -1.297 247 HB THR 36 HB THR 36 6.788 9.365 -3.054 248 HG1 THR 36 HG1 THR 36 7.194 11.814 -2.641 249 HG21 THR 36 3HG2 THR 36 4.663 8.791 -2.713 250 HG22 THR 36 1HG2 THR 36 4.249 10.464 -2.339 251 HG23 THR 36 2HG2 THR 36 4.785 9.380 -1.055 252 H GLY 37 H GLY 37 8.619 11.867 -0.098 253 HA2 GLY 37 1HA GLY 37 6.923 13.920 0.466 254 HA3 GLY 37 2HA GLY 37 6.729 12.844 1.842 255 H GLU 38 H GLU 38 9.189 11.949 2.389 256 HA GLU 38 HA GLU 38 10.818 14.376 2.748 257 HB2 GLU 38 1HB GLU 38 11.458 13.500 4.984 258 HB3 GLU 38 2HB GLU 38 9.752 13.904 4.858 259 HG2 GLU 38 1HG GLU 38 9.116 11.640 4.764 260 HG3 GLU 38 2HG GLU 38 10.772 11.109 4.474 261 H LYS 39 H LYS 39 11.029 12.307 0.724 262 HA LYS 39 HA LYS 39 12.732 10.271 0.965 263 HB2 LYS 39 1HB LYS 39 13.014 12.467 -1.095 264 HB3 LYS 39 2HB LYS 39 13.706 10.856 -1.231 265 HG2 LYS 39 1HG LYS 39 10.780 11.086 -0.785 266 HG3 LYS 39 2HG LYS 39 11.420 11.492 -2.379 267 HD2 LYS 39 1HD LYS 39 12.249 8.947 -1.046 268 HD3 LYS 39 2HD LYS 39 10.681 9.045 -1.851 269 HE2 LYS 39 1HE LYS 39 12.163 10.078 -3.790 270 HE3 LYS 39 2HE LYS 39 13.423 9.137 -2.996 271 HZ1 LYS 39 3HZ LYS 39 12.661 7.446 -4.203 272 HZ2 LYS 39 1HZ LYS 39 11.230 8.249 -4.614 273 HZ3 LYS 39 2HZ LYS 39 11.337 7.407 -3.151 274 HA PRO 40 HA PRO 40 16.463 11.605 2.882 275 HB2 PRO 40 1HB PRO 40 18.128 9.651 1.998 276 HB3 PRO 40 2HB PRO 40 16.900 9.378 3.239 277 HG2 PRO 40 1HG PRO 40 16.806 8.755 0.313 278 HG3 PRO 40 2HG PRO 40 16.270 7.767 1.685 279 HD2 PRO 40 1HD PRO 40 14.551 9.205 0.165 280 HD3 PRO 40 2HD PRO 40 14.282 8.914 1.896 281 H SER 41 H SER 41 16.791 10.576 -0.516 282 HA SER 41 HA SER 41 18.231 13.031 -1.113 283 HB2 SER 41 1HB SER 41 19.473 10.325 -1.105 284 HB3 SER 41 2HB SER 41 19.895 11.405 -2.434 285 HG SER 41 HG SER 41 20.537 12.947 -0.877 286 H GLY 42 H GLY 42 18.799 13.047 -3.556 287 HA2 GLY 42 1HA GLY 42 18.188 12.204 -5.752 288 HA3 GLY 42 2HA GLY 42 16.657 11.685 -5.062 289 HA PRO 43 HA PRO 43 16.556 16.519 -5.589 290 HB2 PRO 43 1HB PRO 43 18.337 17.498 -7.389 291 HB3 PRO 43 2HB PRO 43 18.688 17.373 -5.661 292 HG2 PRO 43 1HG PRO 43 19.484 15.544 -7.894 293 HG3 PRO 43 2HG PRO 43 20.450 16.125 -6.525 294 HD2 PRO 43 1HD PRO 43 19.325 13.663 -6.572 295 HD3 PRO 43 2HD PRO 43 19.547 14.582 -5.070 296 H SER 44 H SER 44 14.672 15.600 -6.637 297 HA SER 44 HA SER 44 14.753 15.199 -9.502 298 HB2 SER 44 1HB SER 44 13.324 13.816 -7.958 299 HB3 SER 44 2HB SER 44 12.327 15.247 -7.696 300 HG SER 44 HG SER 44 11.312 14.541 -9.399 301 H SER 45 H SER 45 14.882 16.953 -10.743 302 HA SER 45 HA SER 45 14.446 18.988 -11.662 303 HB2 SER 45 1HB SER 45 11.826 18.230 -10.434 304 HB3 SER 45 2HB SER 45 12.019 19.857 -11.086 305 HG SER 45 HG SER 45 12.521 17.452 -12.510 306 H GLY 46 H GLY 46 15.915 19.028 -9.297 307 HA2 GLY 46 1HA GLY 46 16.749 20.597 -7.836 308 HA3 GLY 46 2HA GLY 46 15.636 21.757 -8.546 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -2.728 -32.842 14.716 2 HA2 GLY 1 1HA GLY 1 -5.129 -32.547 13.066 3 HA3 GLY 1 2HA GLY 1 -5.298 -32.303 14.798 4 H SER 2 H SER 2 -5.485 -30.515 12.332 5 HA SER 2 HA SER 2 -4.334 -28.202 13.570 6 HB2 SER 2 1HB SER 2 -2.827 -27.570 11.755 7 HB3 SER 2 2HB SER 2 -2.346 -29.132 12.418 8 HG SER 2 HG SER 2 -4.008 -28.863 10.140 9 H SER 3 H SER 3 -5.640 -26.542 13.180 10 HA SER 3 HA SER 3 -6.757 -25.942 10.650 11 HB2 SER 3 1HB SER 3 -8.169 -27.928 11.409 12 HB3 SER 3 2HB SER 3 -8.806 -26.867 12.665 13 HG SER 3 HG SER 3 -9.681 -27.072 10.230 14 H GLY 4 H GLY 4 -8.574 -24.211 10.940 15 HA2 GLY 4 1HA GLY 4 -9.409 -22.603 12.696 16 HA3 GLY 4 2HA GLY 4 -7.718 -22.451 13.152 17 H SER 5 H SER 5 -9.617 -22.315 10.133 18 HA SER 5 HA SER 5 -8.625 -19.628 9.638 19 HB2 SER 5 1HB SER 5 -6.988 -21.357 8.652 20 HB3 SER 5 2HB SER 5 -8.261 -21.699 7.480 21 HG SER 5 HG SER 5 -6.842 -19.293 7.894 22 H SER 6 H SER 6 -9.765 -18.532 7.934 23 HA SER 6 HA SER 6 -12.133 -19.843 6.859 24 HB2 SER 6 1HB SER 6 -12.956 -18.977 8.975 25 HB3 SER 6 2HB SER 6 -12.277 -17.388 8.626 26 HG SER 6 HG SER 6 -14.040 -16.959 7.590 27 H GLY 7 H GLY 7 -13.158 -18.634 5.150 28 HA2 GLY 7 1HA GLY 7 -11.218 -17.063 3.661 29 HA3 GLY 7 2HA GLY 7 -12.753 -17.672 3.059 30 H THR 8 H THR 8 -12.175 -15.721 5.953 31 HA THR 8 HA THR 8 -13.933 -13.661 4.798 32 HB THR 8 HB THR 8 -14.263 -12.933 7.190 33 HG1 THR 8 HG1 THR 8 -13.294 -14.008 8.751 34 HG21 THR 8 3HG2 THR 8 -16.124 -14.064 6.550 35 HG22 THR 8 1HG2 THR 8 -15.524 -15.250 7.709 36 HG23 THR 8 2HG2 THR 8 -15.211 -15.464 5.987 37 H GLY 9 H GLY 9 -12.610 -12.206 3.840 38 HA2 GLY 9 1HA GLY 9 -11.467 -10.096 4.750 39 HA3 GLY 9 2HA GLY 9 -10.286 -11.239 5.373 40 H GLU 10 H GLU 10 -10.403 -9.012 3.204 41 HA GLU 10 HA GLU 10 -8.840 -10.541 1.244 42 HB2 GLU 10 1HB GLU 10 -10.883 -8.421 0.557 43 HB3 GLU 10 2HB GLU 10 -9.823 -9.230 -0.588 44 HG2 GLU 10 1HG GLU 10 -11.722 -10.779 1.129 45 HG3 GLU 10 2HG GLU 10 -12.244 -10.036 -0.382 46 H LYS 11 H LYS 11 -7.659 -8.921 -0.270 47 HA LYS 11 HA LYS 11 -6.720 -6.614 1.296 48 HB2 LYS 11 1HB LYS 11 -4.419 -7.095 0.439 49 HB3 LYS 11 2HB LYS 11 -5.034 -8.296 1.566 50 HG2 LYS 11 1HG LYS 11 -5.780 -9.533 -0.608 51 HG3 LYS 11 2HG LYS 11 -4.551 -8.518 -1.366 52 HD2 LYS 11 1HD LYS 11 -3.304 -10.368 -0.810 53 HD3 LYS 11 2HD LYS 11 -3.068 -9.366 0.625 54 HE2 LYS 11 1HE LYS 11 -3.628 -11.329 1.636 55 HE3 LYS 11 2HE LYS 11 -5.241 -10.651 1.425 56 HZ1 LYS 11 3HZ LYS 11 -4.024 -12.438 -0.593 57 HZ2 LYS 11 1HZ LYS 11 -5.654 -12.028 -0.400 58 HZ3 LYS 11 2HZ LYS 11 -4.899 -13.043 0.722 59 HA PRO 12 HA PRO 12 -7.937 -5.441 -3.055 60 HB2 PRO 12 1HB PRO 12 -9.538 -3.375 -2.320 61 HB3 PRO 12 2HB PRO 12 -10.120 -5.038 -2.459 62 HG2 PRO 12 1HG PRO 12 -9.308 -3.513 -0.014 63 HG3 PRO 12 2HG PRO 12 -10.697 -4.590 -0.252 64 HD2 PRO 12 1HD PRO 12 -8.437 -5.383 1.012 65 HD3 PRO 12 2HD PRO 12 -9.432 -6.493 0.048 66 H TYR 13 H TYR 13 -6.465 -3.979 -0.335 67 HA TYR 13 HA TYR 13 -5.269 -1.932 -2.079 68 HB2 TYR 13 1HB TYR 13 -5.912 -1.503 0.841 69 HB3 TYR 13 2HB TYR 13 -5.323 -0.309 -0.311 70 HD1 TYR 13 HD1 TYR 13 -6.828 0.542 -2.087 71 HD2 TYR 13 HD2 TYR 13 -8.233 -2.047 0.983 72 HE1 TYR 13 HE1 TYR 13 -9.144 1.178 -2.618 73 HE2 TYR 13 HE2 TYR 13 -10.552 -1.420 0.459 74 HH TYR 13 HH TYR 13 -11.714 -0.450 -1.873 75 H LYS 14 H LYS 14 -3.258 -2.654 -2.383 76 HA LYS 14 HA LYS 14 -1.648 -3.259 -0.000 77 HB2 LYS 14 1HB LYS 14 -1.976 -5.417 -0.834 78 HB3 LYS 14 2HB LYS 14 -1.923 -4.882 -2.509 79 HG2 LYS 14 1HG LYS 14 0.370 -4.836 -2.567 80 HG3 LYS 14 2HG LYS 14 0.518 -4.609 -0.823 81 HD2 LYS 14 1HD LYS 14 -0.294 -6.936 -0.507 82 HD3 LYS 14 2HD LYS 14 -0.275 -7.141 -2.261 83 HE2 LYS 14 1HE LYS 14 2.122 -6.699 -2.296 84 HE3 LYS 14 2HE LYS 14 2.112 -6.446 -0.551 85 HZ1 LYS 14 3HZ LYS 14 2.867 -8.685 -1.253 86 HZ2 LYS 14 1HZ LYS 14 1.315 -8.989 -1.855 87 HZ3 LYS 14 2HZ LYS 14 1.543 -8.718 -0.201 88 H CYS 15 H CYS 15 0.010 -1.910 0.130 89 HA CYS 15 HA CYS 15 0.714 -0.076 -1.867 90 HB2 CYS 15 1HB CYS 15 1.245 0.492 0.372 91 HB3 CYS 15 2HB CYS 15 2.129 -1.009 0.625 92 H ASN 16 H ASN 16 2.673 0.114 -3.087 93 HA ASN 16 HA ASN 16 3.706 -2.501 -3.939 94 HB2 ASN 16 1HB ASN 16 2.598 -1.104 -5.667 95 HB3 ASN 16 2HB ASN 16 3.807 0.148 -5.399 96 HD21 ASN 16 1HD2 ASN 16 5.006 0.175 -7.168 97 HD22 ASN 16 2HD2 ASN 16 5.765 -1.199 -7.891 98 H GLU 17 H GLU 17 4.645 0.662 -2.770 99 HA GLU 17 HA GLU 17 7.372 0.628 -3.255 100 HB2 GLU 17 1HB GLU 17 5.763 1.795 -0.992 101 HB3 GLU 17 2HB GLU 17 7.504 2.011 -1.100 102 HG2 GLU 17 1HG GLU 17 5.430 2.939 -3.069 103 HG3 GLU 17 2HG GLU 17 6.433 3.936 -2.018 104 H CYS 18 H CYS 18 5.741 -0.429 -0.261 105 HA CYS 18 HA CYS 18 8.117 -2.046 0.366 106 HB2 CYS 18 1HB CYS 18 7.288 -2.046 2.689 107 HB3 CYS 18 2HB CYS 18 7.542 -0.412 2.084 108 H GLY 19 H GLY 19 4.570 -2.145 0.297 109 HA2 GLY 19 1HA GLY 19 3.598 -4.155 -0.763 110 HA3 GLY 19 2HA GLY 19 4.767 -5.092 0.155 111 H LYS 20 H LYS 20 3.165 -2.371 1.605 112 HA LYS 20 HA LYS 20 2.089 -4.026 3.680 113 HB2 LYS 20 1HB LYS 20 2.932 -1.523 3.724 114 HB3 LYS 20 2HB LYS 20 1.254 -1.178 3.324 115 HG2 LYS 20 1HG LYS 20 0.473 -1.930 5.348 116 HG3 LYS 20 2HG LYS 20 1.863 -2.985 5.614 117 HD2 LYS 20 1HD LYS 20 3.228 -1.219 6.287 118 HD3 LYS 20 2HD LYS 20 2.187 -0.006 5.538 119 HE2 LYS 20 1HE LYS 20 1.658 0.269 7.758 120 HE3 LYS 20 2HE LYS 20 0.426 -0.889 7.259 121 HZ1 LYS 20 3HZ LYS 20 2.015 -1.221 9.376 122 HZ2 LYS 20 1HZ LYS 20 2.906 -2.051 8.202 123 HZ3 LYS 20 2HZ LYS 20 1.308 -2.500 8.524 124 H VAL 21 H VAL 21 -0.244 -3.725 4.377 125 HA VAL 21 HA VAL 21 -2.050 -3.585 2.061 126 HB VAL 21 HB VAL 21 -2.083 -5.726 4.192 127 HG11 VAL 21 1HG1 VAL 21 -4.139 -4.761 2.320 128 HG12 VAL 21 2HG1 VAL 21 -3.920 -6.511 2.373 129 HG13 VAL 21 3HG1 VAL 21 -4.308 -5.624 3.848 130 HG21 VAL 21 3HG2 VAL 21 -0.409 -5.937 2.321 131 HG22 VAL 21 1HG2 VAL 21 -1.558 -7.268 2.465 132 HG23 VAL 21 2HG2 VAL 21 -1.777 -6.045 1.213 133 H PHE 22 H PHE 22 -4.070 -2.744 2.449 134 HA PHE 22 HA PHE 22 -4.735 -1.988 5.202 135 HB2 PHE 22 1HB PHE 22 -4.825 -0.090 2.848 136 HB3 PHE 22 2HB PHE 22 -5.360 0.274 4.485 137 HD1 PHE 22 HD2 PHE 22 -2.473 -0.227 2.304 138 HD2 PHE 22 HD1 PHE 22 -3.770 0.672 6.257 139 HE1 PHE 22 HE2 PHE 22 -0.204 0.535 2.871 140 HE2 PHE 22 HE1 PHE 22 -1.502 1.437 6.830 141 HZ PHE 22 HZ PHE 22 0.284 1.368 5.137 142 H THR 23 H THR 23 -7.039 -0.978 5.207 143 HA THR 23 HA THR 23 -8.741 -2.766 3.612 144 HB THR 23 HB THR 23 -10.481 -2.380 5.297 145 HG1 THR 23 HG1 THR 23 -10.298 -0.759 6.637 146 HG21 THR 23 3HG2 THR 23 -7.833 -3.494 5.964 147 HG22 THR 23 1HG2 THR 23 -9.426 -4.246 6.024 148 HG23 THR 23 2HG2 THR 23 -8.900 -3.189 7.334 149 H GLN 24 H GLN 24 -8.261 0.596 4.533 150 HA GLN 24 HA GLN 24 -10.296 1.373 2.549 151 HB2 GLN 24 1HB GLN 24 -10.747 2.026 4.935 152 HB3 GLN 24 2HB GLN 24 -9.312 3.040 4.867 153 HG2 GLN 24 1HG GLN 24 -11.303 4.361 4.518 154 HG3 GLN 24 2HG GLN 24 -10.315 4.339 3.058 155 HE21 GLN 24 1HE2 GLN 24 -13.382 3.985 4.273 156 HE22 GLN 24 2HE2 GLN 24 -14.121 3.194 2.927 157 H ASN 25 H ASN 25 -9.636 2.465 0.814 158 HA ASN 25 HA ASN 25 -7.137 2.725 -0.106 159 HB2 ASN 25 1HB ASN 25 -7.917 4.230 -1.696 160 HB3 ASN 25 2HB ASN 25 -9.412 3.475 -1.151 161 HD21 ASN 25 1HD2 ASN 25 -7.364 6.305 -0.817 162 HD22 ASN 25 2HD2 ASN 25 -8.615 7.380 -0.302 163 H SER 26 H SER 26 -8.752 5.240 1.830 164 HA SER 26 HA SER 26 -6.821 7.158 1.935 165 HB2 SER 26 1HB SER 26 -9.000 7.393 3.036 166 HB3 SER 26 2HB SER 26 -8.522 6.211 4.255 167 HG SER 26 HG SER 26 -7.566 7.759 5.285 168 H HIS 27 H HIS 27 -7.101 4.505 4.306 169 HA HIS 27 HA HIS 27 -4.838 4.947 5.776 170 HB2 HIS 27 1HB HIS 27 -5.757 2.200 4.916 171 HB3 HIS 27 2HB HIS 27 -4.876 2.618 6.383 172 HD1 HIS 27 HD1 HIS 27 -7.564 1.122 6.518 173 HD2 HIS 27 HD2 HIS 27 -7.167 5.248 6.801 174 HE1 HIS 27 HE1 HIS 27 -9.616 1.913 7.739 175 H LEU 28 H LEU 28 -5.075 3.593 2.561 176 HA LEU 28 HA LEU 28 -2.306 2.778 2.485 177 HB2 LEU 28 1HB LEU 28 -3.678 1.422 1.189 178 HB3 LEU 28 2HB LEU 28 -4.568 2.792 0.527 179 HG LEU 28 HG LEU 28 -2.518 3.387 -0.779 180 HD11 LEU 28 1HD1 LEU 28 -1.206 0.951 -0.924 181 HD12 LEU 28 2HD1 LEU 28 -1.443 1.217 0.803 182 HD13 LEU 28 3HD1 LEU 28 -0.608 2.428 -0.169 183 HD21 LEU 28 3HD2 LEU 28 -4.355 2.218 -1.832 184 HD22 LEU 28 1HD2 LEU 28 -3.741 0.671 -1.250 185 HD23 LEU 28 2HD2 LEU 28 -2.822 1.592 -2.441 186 H ALA 29 H ALA 29 -4.183 5.030 0.449 187 HA ALA 29 HA ALA 29 -2.214 6.326 -0.866 188 HB1 ALA 29 3HB ALA 29 -3.703 8.019 -1.297 189 HB2 ALA 29 1HB ALA 29 -4.799 6.746 -0.759 190 HB3 ALA 29 2HB ALA 29 -4.331 8.034 0.351 191 H ARG 30 H ARG 30 -3.334 7.187 2.403 192 HA ARG 30 HA ARG 30 -1.467 9.269 2.794 193 HB2 ARG 30 1HB ARG 30 -2.238 9.367 5.000 194 HB3 ARG 30 2HB ARG 30 -3.623 8.758 4.103 195 HG2 ARG 30 1HG ARG 30 -2.759 6.428 4.765 196 HG3 ARG 30 2HG ARG 30 -1.796 7.294 5.964 197 HD2 ARG 30 1HD ARG 30 -4.098 8.433 6.515 198 HD3 ARG 30 2HD ARG 30 -4.754 6.979 5.763 199 HE ARG 30 HE ARG 30 -4.042 5.747 7.573 200 HH11 ARG 30 1HH1 ARG 30 -2.686 8.950 7.712 201 HH12 ARG 30 2HH1 ARG 30 -2.096 8.771 9.331 202 HH21 ARG 30 1HH2 ARG 30 -3.269 5.499 9.704 203 HH22 ARG 30 2HH2 ARG 30 -2.427 6.807 10.463 204 H HIS 31 H HIS 31 -1.372 5.813 3.439 205 HA HIS 31 HA HIS 31 0.939 5.745 5.026 206 HB2 HIS 31 1HB HIS 31 -0.149 3.721 5.060 207 HB3 HIS 31 2HB HIS 31 -0.532 3.776 3.342 208 HD1 HIS 31 HD1 HIS 31 2.351 3.018 5.666 209 HD2 HIS 31 HD2 HIS 31 1.201 2.402 1.721 210 HE1 HIS 31 HE1 HIS 31 4.057 1.439 4.707 211 H ARG 32 H ARG 32 0.545 5.445 1.508 212 HA ARG 32 HA ARG 32 3.165 4.950 0.791 213 HB2 ARG 32 1HB ARG 32 1.140 6.650 -0.676 214 HB3 ARG 32 2HB ARG 32 2.606 5.983 -1.382 215 HG2 ARG 32 1HG ARG 32 1.750 3.708 -0.870 216 HG3 ARG 32 2HG ARG 32 0.240 4.448 -0.333 217 HD2 ARG 32 1HD ARG 32 0.091 3.646 -2.644 218 HD3 ARG 32 2HD ARG 32 -0.104 5.396 -2.544 219 HE ARG 32 HE ARG 32 1.787 5.635 -3.803 220 HH11 ARG 32 1HH1 ARG 32 1.700 2.408 -2.499 221 HH12 ARG 32 2HH1 ARG 32 3.074 1.865 -3.404 222 HH21 ARG 32 1HH2 ARG 32 3.597 4.932 -4.999 223 HH22 ARG 32 2HH2 ARG 32 4.153 3.302 -4.825 224 H GLY 33 H GLY 33 1.848 7.767 2.198 225 HA2 GLY 33 1HA GLY 33 3.516 9.769 1.167 226 HA3 GLY 33 2HA GLY 33 2.760 9.798 2.753 227 H ILE 34 H ILE 34 4.181 7.232 3.436 228 HA ILE 34 HA ILE 34 6.433 8.414 4.691 229 HB ILE 34 HB ILE 34 6.916 6.269 5.592 230 HG12 ILE 34 1HG1 ILE 34 5.058 5.093 3.514 231 HG13 ILE 34 2HG1 ILE 34 6.816 5.023 3.450 232 HG21 ILE 34 1HG2 ILE 34 4.473 5.458 6.131 233 HG22 ILE 34 2HG2 ILE 34 5.082 6.990 6.755 234 HG23 ILE 34 3HG2 ILE 34 4.036 6.970 5.335 235 HD11 ILE 34 3HD1 ILE 34 6.654 3.855 5.721 236 HD12 ILE 34 1HD1 ILE 34 4.949 3.635 5.329 237 HD13 ILE 34 2HD1 ILE 34 6.191 2.949 4.281 238 H HIS 35 H HIS 35 5.978 6.642 1.719 239 HA HIS 35 HA HIS 35 8.810 6.239 1.294 240 HB2 HIS 35 1HB HIS 35 6.522 5.844 -0.645 241 HB3 HIS 35 2HB HIS 35 8.160 5.219 -0.811 242 HD1 HIS 35 HD1 HIS 35 8.789 3.692 1.541 243 HD2 HIS 35 HD2 HIS 35 4.871 3.885 0.175 244 HE1 HIS 35 HE1 HIS 35 7.634 1.688 2.528 245 H THR 36 H THR 36 6.319 8.487 0.310 246 HA THR 36 HA THR 36 7.956 9.749 -1.703 247 HB THR 36 HB THR 36 6.135 11.378 -1.901 248 HG1 THR 36 HG1 THR 36 4.207 10.823 -0.537 249 HG21 THR 36 3HG2 THR 36 5.213 8.508 -1.744 250 HG22 THR 36 1HG2 THR 36 5.906 9.318 -3.148 251 HG23 THR 36 2HG2 THR 36 4.324 9.807 -2.539 252 H GLY 37 H GLY 37 9.809 10.320 -0.450 253 HA2 GLY 37 1HA GLY 37 10.487 12.707 0.174 254 HA3 GLY 37 2HA GLY 37 9.357 12.484 1.501 255 H GLU 38 H GLU 38 11.481 9.975 0.262 256 HA GLU 38 HA GLU 38 13.104 10.198 2.707 257 HB2 GLU 38 1HB GLU 38 11.362 8.334 2.747 258 HB3 GLU 38 2HB GLU 38 12.308 7.562 1.482 259 HG2 GLU 38 1HG GLU 38 14.139 7.224 2.899 260 HG3 GLU 38 2HG GLU 38 13.532 8.368 4.096 261 H LYS 39 H LYS 39 14.729 11.242 1.501 262 HA LYS 39 HA LYS 39 16.089 9.544 -0.486 263 HB2 LYS 39 1HB LYS 39 17.214 11.835 -1.053 264 HB3 LYS 39 2HB LYS 39 15.602 11.477 -1.657 265 HG2 LYS 39 1HG LYS 39 14.580 12.889 -0.092 266 HG3 LYS 39 2HG LYS 39 16.033 12.973 0.907 267 HD2 LYS 39 1HD LYS 39 16.159 14.997 -0.159 268 HD3 LYS 39 2HD LYS 39 17.071 13.996 -1.292 269 HE2 LYS 39 1HE LYS 39 15.604 15.205 -2.650 270 HE3 LYS 39 2HE LYS 39 14.830 13.631 -2.478 271 HZ1 LYS 39 3HZ LYS 39 13.770 14.953 -0.419 272 HZ2 LYS 39 1HZ LYS 39 13.057 14.878 -1.951 273 HZ3 LYS 39 2HZ LYS 39 13.978 16.227 -1.512 274 HA PRO 40 HA PRO 40 18.940 9.412 3.074 275 HB2 PRO 40 1HB PRO 40 20.035 7.030 2.367 276 HB3 PRO 40 2HB PRO 40 18.520 7.161 3.268 277 HG2 PRO 40 1HG PRO 40 18.950 6.696 0.342 278 HG3 PRO 40 2HG PRO 40 17.799 5.914 1.442 279 HD2 PRO 40 1HD PRO 40 17.078 7.902 -0.250 280 HD3 PRO 40 2HD PRO 40 16.311 7.671 1.335 281 H SER 41 H SER 41 19.692 8.522 -0.290 282 HA SER 41 HA SER 41 22.111 10.171 -0.118 283 HB2 SER 41 1HB SER 41 21.969 7.291 -0.996 284 HB3 SER 41 2HB SER 41 23.267 8.359 -1.528 285 HG SER 41 HG SER 41 22.922 8.568 1.131 286 H GLY 42 H GLY 42 22.590 11.305 -1.944 287 HA2 GLY 42 1HA GLY 42 20.661 11.035 -4.158 288 HA3 GLY 42 2HA GLY 42 21.495 12.520 -3.725 289 HA PRO 43 HA PRO 43 23.676 10.382 -7.283 290 HB2 PRO 43 1HB PRO 43 23.487 12.459 -9.020 291 HB3 PRO 43 2HB PRO 43 22.245 11.211 -8.877 292 HG2 PRO 43 1HG PRO 43 22.311 13.961 -7.696 293 HG3 PRO 43 2HG PRO 43 20.962 13.107 -8.469 294 HD2 PRO 43 1HD PRO 43 21.217 13.296 -5.780 295 HD3 PRO 43 2HD PRO 43 20.483 11.888 -6.573 296 H SER 44 H SER 44 25.826 10.618 -7.624 297 HA SER 44 HA SER 44 27.459 12.073 -6.008 298 HB2 SER 44 1HB SER 44 27.966 10.269 -7.880 299 HB3 SER 44 2HB SER 44 28.357 11.699 -8.835 300 HG SER 44 HG SER 44 29.773 12.298 -7.064 301 H SER 45 H SER 45 28.906 13.905 -6.480 302 HA SER 45 HA SER 45 27.390 16.069 -7.737 303 HB2 SER 45 1HB SER 45 29.803 16.158 -5.910 304 HB3 SER 45 2HB SER 45 28.944 17.568 -6.527 305 HG SER 45 HG SER 45 27.430 15.627 -5.229 306 H GLY 46 H GLY 46 27.972 16.960 -9.611 307 HA2 GLY 46 1HA GLY 46 30.688 16.384 -10.626 308 HA3 GLY 46 2HA GLY 46 29.265 16.332 -11.656
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