NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625886 | 5nao | 34109 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 6.389 4.430 -5.469 2 HA MET 1 HA MET 1 7.004 4.578 -2.636 3 HB2 MET 1 HB2 MET 1 5.219 5.987 -3.470 4 HB3 MET 1 HB3 MET 1 4.378 4.592 -4.132 5 HG2 MET 1 HG2 MET 1 3.265 4.394 -2.238 6 HG3 MET 1 HG3 MET 1 4.780 4.066 -1.400 7 HE1 MET 1 HE1 MET 1 4.617 5.625 1.095 8 HE2 MET 1 HE2 MET 1 3.043 6.416 1.020 9 HE3 MET 1 HE3 MET 1 3.224 4.756 0.451 10 H ASN 2 H ASN 2 7.253 2.833 -1.421 11 HA ASN 2 HA ASN 2 6.862 0.209 -2.330 12 HB2 ASN 2 HB2 ASN 2 7.099 1.234 0.508 13 HB3 ASN 2 HB3 ASN 2 7.251 -0.453 0.026 14 HD21 ASN 2 HD21 ASN 2 9.174 1.298 1.336 15 HD22 ASN 2 HD22 ASN 2 10.573 1.315 0.323 16 H ILE 3 H ILE 3 5.081 -0.964 -2.539 17 HA ILE 3 HA ILE 3 2.622 -0.048 -1.239 18 HB ILE 3 HB ILE 3 2.828 -2.191 -3.345 19 HG12 ILE 3 HG12 ILE 3 2.446 0.785 -3.743 20 HG13 ILE 3 HG13 ILE 3 3.864 -0.143 -4.216 21 HG21 ILE 3 HG21 ILE 3 0.474 -0.472 -3.253 22 HG22 ILE 3 HG22 ILE 3 0.594 -2.229 -3.317 23 HG23 ILE 3 HG23 ILE 3 0.730 -1.392 -1.771 24 HD11 ILE 3 HD11 ILE 3 1.128 -0.139 -5.410 25 HD12 ILE 3 HD12 ILE 3 2.694 0.081 -6.192 26 HD13 ILE 3 HD13 ILE 3 2.205 -1.517 -5.630 27 H THR 4 H THR 4 4.653 -1.444 0.271 28 HA THR 4 HA THR 4 4.997 -3.312 1.575 29 HB THR 4 HB THR 4 3.300 -2.066 2.824 30 HG1 THR 4 HG1 THR 4 3.002 -3.709 4.172 31 HG21 THR 4 HG21 THR 4 1.331 -3.741 1.262 32 HG22 THR 4 HG22 THR 4 1.515 -1.988 1.194 33 HG23 THR 4 HG23 THR 4 0.921 -2.757 2.666 34 H SER 5 H SER 5 4.763 -4.104 -1.083 35 HA SER 5 HA SER 5 2.851 -6.201 -1.395 36 HB2 SER 5 HB2 SER 5 3.580 -5.282 -3.425 37 HB3 SER 5 HB3 SER 5 5.275 -5.316 -2.941 38 HG SER 5 HG SER 5 3.823 -7.204 -4.213 39 H GLN 6 H GLN 6 6.413 -6.327 -1.181 40 HA GLN 6 HA GLN 6 6.188 -8.735 0.462 41 HB2 GLN 6 HB2 GLN 6 8.010 -9.800 -0.927 42 HB3 GLN 6 HB3 GLN 6 6.431 -9.702 -1.694 43 HG2 GLN 6 HG2 GLN 6 7.103 -8.052 -3.169 44 HG3 GLN 6 HG3 GLN 6 8.472 -7.573 -2.166 45 HE21 GLN 6 HE21 GLN 6 9.234 -7.808 -4.570 46 HE22 GLN 6 HE22 GLN 6 10.000 -9.314 -4.929 47 H MET 7 H MET 7 8.126 -9.253 1.637 48 HA MET 7 HA MET 7 10.289 -7.320 1.612 49 HB2 MET 7 HB2 MET 7 8.299 -7.545 3.837 50 HB3 MET 7 HB3 MET 7 9.973 -7.161 4.214 51 HG2 MET 7 HG2 MET 7 9.841 -5.231 2.687 52 HG3 MET 7 HG3 MET 7 8.140 -5.599 2.410 53 HE1 MET 7 HE1 MET 7 9.378 -2.534 5.095 54 HE2 MET 7 HE2 MET 7 10.661 -3.719 4.847 55 HE3 MET 7 HE3 MET 7 9.807 -3.040 3.460 56 H ASN 8 H ASN 8 12.177 -8.067 2.596 57 HA ASN 8 HA ASN 8 12.385 -10.924 2.775 58 HB2 ASN 8 HB2 ASN 8 14.288 -8.626 2.871 59 HB3 ASN 8 HB3 ASN 8 14.815 -10.169 3.538 60 HD21 ASN 8 HD21 ASN 8 15.641 -8.620 1.139 61 HD22 ASN 8 HD22 ASN 8 15.512 -9.734 -0.176 62 H LYS 9 H LYS 9 12.465 -12.179 4.543 63 HA LYS 9 HA LYS 9 11.578 -11.227 7.032 64 HB2 LYS 9 HB2 LYS 9 11.305 -13.560 6.261 65 HB3 LYS 9 HB3 LYS 9 13.039 -13.805 6.425 66 HG2 LYS 9 HG2 LYS 9 12.137 -14.736 8.358 67 HG3 LYS 9 HG3 LYS 9 12.720 -13.152 8.873 68 HD2 LYS 9 HD2 LYS 9 10.614 -13.253 9.838 69 HD3 LYS 9 HD3 LYS 9 10.307 -12.365 8.344 70 HE2 LYS 9 HE2 LYS 9 8.589 -13.968 8.491 71 HE3 LYS 9 HE3 LYS 9 9.726 -14.605 7.304 72 HZ1 LYS 9 HZ1 LYS 9 9.048 -15.606 9.946 73 HZ2 LYS 9 HZ2 LYS 9 10.683 -15.700 9.523 74 HZ3 LYS 9 HZ3 LYS 9 9.515 -16.448 8.555 75 H THR 10 H THR 10 14.799 -11.838 5.763 76 HA THR 10 HA THR 10 16.265 -11.713 8.134 77 HB THR 10 HB THR 10 17.474 -10.440 5.742 78 HG1 THR 10 HG1 THR 10 17.412 -12.265 4.530 79 HG21 THR 10 HG21 THR 10 19.302 -12.011 6.308 80 HG22 THR 10 HG22 THR 10 18.308 -12.660 7.612 81 HG23 THR 10 HG23 THR 10 18.846 -10.982 7.665 82 H ILE 11 H ILE 11 15.082 -9.137 6.031 83 HA ILE 11 HA ILE 11 16.453 -6.984 7.157 84 HB ILE 11 HB ILE 11 13.652 -6.940 6.029 85 HG12 ILE 11 HG12 ILE 11 15.302 -7.967 4.491 86 HG13 ILE 11 HG13 ILE 11 14.688 -6.432 3.886 87 HG21 ILE 11 HG21 ILE 11 14.537 -4.569 5.377 88 HG22 ILE 11 HG22 ILE 11 13.897 -4.866 6.992 89 HG23 ILE 11 HG23 ILE 11 15.640 -4.829 6.728 90 HD11 ILE 11 HD11 ILE 11 17.331 -6.832 5.269 91 HD12 ILE 11 HD12 ILE 11 17.089 -6.670 3.529 92 HD13 ILE 11 HD13 ILE 11 16.719 -5.319 4.600 93 H ILE 12 H ILE 12 13.216 -8.238 7.953 94 HA ILE 12 HA ILE 12 12.543 -6.468 9.965 95 HB ILE 12 HB ILE 12 11.898 -9.418 9.910 96 HG12 ILE 12 HG12 ILE 12 10.424 -7.059 8.719 97 HG13 ILE 12 HG13 ILE 12 11.275 -8.306 7.815 98 HG21 ILE 12 HG21 ILE 12 10.675 -9.092 11.733 99 HG22 ILE 12 HG22 ILE 12 11.357 -7.471 11.852 100 HG23 ILE 12 HG23 ILE 12 9.844 -7.729 10.984 101 HD11 ILE 12 HD11 ILE 12 9.369 -9.418 7.710 102 HD12 ILE 12 HD12 ILE 12 9.475 -9.670 9.453 103 HD13 ILE 12 HD13 ILE 12 8.589 -8.286 8.814 104 H GLY 13 H GLY 13 14.342 -9.525 10.243 105 HA2 GLY 13 HA2 GLY 13 14.655 -9.654 12.981 106 HA3 GLY 13 HA3 GLY 13 15.848 -10.234 11.828 107 H VAL 14 H VAL 14 17.136 -8.319 10.793 108 HA VAL 14 HA VAL 14 18.785 -7.228 12.709 109 HB VAL 14 HB VAL 14 18.220 -6.053 9.983 110 HG11 VAL 14 HG11 VAL 14 19.438 -4.436 11.157 111 HG12 VAL 14 HG12 VAL 14 20.430 -5.646 11.973 112 HG13 VAL 14 HG13 VAL 14 20.660 -5.330 10.253 113 HG21 VAL 14 HG21 VAL 14 20.491 -7.391 9.626 114 HG22 VAL 14 HG22 VAL 14 19.794 -8.396 10.896 115 HG23 VAL 14 HG23 VAL 14 18.911 -8.140 9.391 116 H SER 15 H SER 15 15.965 -5.750 11.156 117 HA SER 15 HA SER 15 16.145 -3.178 12.127 118 HB2 SER 15 HB2 SER 15 14.382 -4.244 10.556 119 HB3 SER 15 HB3 SER 15 13.500 -4.612 12.039 120 HG SER 15 HG SER 15 14.438 -2.007 11.489 121 H VAL 16 H VAL 16 14.595 -5.970 13.694 122 HA VAL 16 HA VAL 16 13.788 -4.625 16.028 123 HB VAL 16 HB VAL 16 14.530 -7.544 15.893 124 HG11 VAL 16 HG11 VAL 16 13.661 -6.015 17.994 125 HG12 VAL 16 HG12 VAL 16 12.161 -6.716 17.383 126 HG13 VAL 16 HG13 VAL 16 13.494 -7.766 17.863 127 HG21 VAL 16 HG21 VAL 16 12.376 -6.078 14.545 128 HG22 VAL 16 HG22 VAL 16 13.063 -7.664 14.194 129 HG23 VAL 16 HG23 VAL 16 11.848 -7.489 15.460 130 H LEU 17 H LEU 17 16.739 -6.425 15.256 131 HA LEU 17 HA LEU 17 17.927 -6.413 17.772 132 HB2 LEU 17 HB2 LEU 17 19.021 -6.437 14.986 133 HB3 LEU 17 HB3 LEU 17 20.107 -6.365 16.372 134 HG LEU 17 HG LEU 17 18.085 -8.557 15.925 135 HD11 LEU 17 HD11 LEU 17 20.712 -8.114 14.755 136 HD12 LEU 17 HD12 LEU 17 19.456 -9.272 14.319 137 HD13 LEU 17 HD13 LEU 17 20.589 -9.648 15.617 138 HD21 LEU 17 HD21 LEU 17 19.642 -9.717 17.564 139 HD22 LEU 17 HD22 LEU 17 18.608 -8.445 18.215 140 HD23 LEU 17 HD23 LEU 17 20.312 -8.119 17.895 141 H SER 18 H SER 18 17.963 -3.956 15.231 142 HA SER 18 HA SER 18 19.777 -2.221 16.587 143 HB2 SER 18 HB2 SER 18 18.239 -0.667 14.823 144 HB3 SER 18 HB3 SER 18 19.822 -1.378 14.509 145 HG SER 18 HG SER 18 17.964 -1.919 13.049 146 H VAL 19 H VAL 19 16.311 -2.644 16.567 147 HA VAL 19 HA VAL 19 15.573 -0.185 17.728 148 HB VAL 19 HB VAL 19 14.198 -2.869 17.904 149 HG11 VAL 19 HG11 VAL 19 12.171 -1.509 18.399 150 HG12 VAL 19 HG12 VAL 19 13.389 -1.470 19.676 151 HG13 VAL 19 HG13 VAL 19 13.215 -0.100 18.577 152 HG21 VAL 19 HG21 VAL 19 14.602 -1.177 15.716 153 HG22 VAL 19 HG22 VAL 19 13.479 -2.533 15.826 154 HG23 VAL 19 HG23 VAL 19 12.936 -0.903 16.223 155 H LEU 20 H LEU 20 15.970 -3.389 19.249 156 HA LEU 20 HA LEU 20 15.638 -2.505 21.891 157 HB2 LEU 20 HB2 LEU 20 16.864 -4.631 22.475 158 HB3 LEU 20 HB3 LEU 20 15.416 -4.809 21.486 159 HG LEU 20 HG LEU 20 17.387 -4.676 19.593 160 HD11 LEU 20 HD11 LEU 20 18.923 -4.870 21.729 161 HD12 LEU 20 HD12 LEU 20 19.308 -5.724 20.235 162 HD13 LEU 20 HD13 LEU 20 18.531 -6.582 21.566 163 HD21 LEU 20 HD21 LEU 20 16.084 -7.008 20.973 164 HD22 LEU 20 HD22 LEU 20 17.123 -7.198 19.560 165 HD23 LEU 20 HD23 LEU 20 15.639 -6.250 19.444 166 H VAL 21 H VAL 21 18.606 -3.119 20.026 167 HA VAL 21 HA VAL 21 20.510 -2.566 21.926 168 HB VAL 21 HB VAL 21 20.503 -1.985 18.971 169 HG11 VAL 21 HG11 VAL 21 22.695 -1.528 20.979 170 HG12 VAL 21 HG12 VAL 21 23.008 -1.747 19.256 171 HG13 VAL 21 HG13 VAL 21 22.029 -0.389 19.810 172 HG21 VAL 21 HG21 VAL 21 22.413 -3.897 20.057 173 HG22 VAL 21 HG22 VAL 21 20.736 -4.334 20.387 174 HG23 VAL 21 HG23 VAL 21 21.268 -4.072 18.726 175 H VAL 22 H VAL 22 19.275 -0.174 19.579 176 HA VAL 22 HA VAL 22 20.471 2.078 20.627 177 HB VAL 22 HB VAL 22 17.747 1.881 19.335 178 HG11 VAL 22 HG11 VAL 22 17.722 3.982 20.321 179 HG12 VAL 22 HG12 VAL 22 19.454 4.224 20.084 180 HG13 VAL 22 HG13 VAL 22 18.353 4.314 18.709 181 HG21 VAL 22 HG21 VAL 22 19.984 1.124 18.168 182 HG22 VAL 22 HG22 VAL 22 18.765 2.046 17.289 183 HG23 VAL 22 HG23 VAL 22 20.187 2.861 17.940 184 H SER 23 H SER 23 17.231 0.816 21.406 185 HA SER 23 HA SER 23 16.470 2.723 23.261 186 HB2 SER 23 HB2 SER 23 15.120 0.750 22.304 187 HB3 SER 23 HB3 SER 23 15.820 -0.198 23.616 188 HG SER 23 HG SER 23 14.186 2.109 23.826 189 H VAL 24 H VAL 24 18.181 -0.340 23.861 190 HA VAL 24 HA VAL 24 18.436 -0.189 26.605 191 HB VAL 24 HB VAL 24 20.472 -1.256 24.645 192 HG11 VAL 24 HG11 VAL 24 20.709 -2.763 26.896 193 HG12 VAL 24 HG12 VAL 24 21.752 -1.399 26.486 194 HG13 VAL 24 HG13 VAL 24 20.384 -1.168 27.575 195 HG21 VAL 24 HG21 VAL 24 17.861 -2.122 25.230 196 HG22 VAL 24 HG22 VAL 24 19.096 -2.965 24.294 197 HG23 VAL 24 HG23 VAL 24 18.954 -3.253 26.028 198 H VAL 25 H VAL 25 20.754 1.014 24.177 199 HA VAL 25 HA VAL 25 22.642 2.105 25.862 200 HB VAL 25 HB VAL 25 21.710 3.203 23.206 201 HG11 VAL 25 HG11 VAL 25 22.945 4.906 24.359 202 HG12 VAL 25 HG12 VAL 25 24.207 3.755 24.802 203 HG13 VAL 25 HG13 VAL 25 23.983 4.213 23.114 204 HG21 VAL 25 HG21 VAL 25 22.831 1.551 22.221 205 HG22 VAL 25 HG22 VAL 25 24.249 1.822 23.234 206 HG23 VAL 25 HG23 VAL 25 22.944 0.782 23.805 207 H ALA 26 H ALA 26 19.829 3.789 24.459 208 HA ALA 26 HA ALA 26 20.158 6.260 25.634 209 HB1 ALA 26 HB1 ALA 26 18.247 6.674 24.585 210 HB2 ALA 26 HB2 ALA 26 18.146 4.960 24.183 211 HB3 ALA 26 HB3 ALA 26 17.372 5.569 25.645 212 H VAL 27 H VAL 27 18.724 3.342 27.007 213 HA VAL 27 HA VAL 27 17.835 4.594 29.414 214 HB VAL 27 HB VAL 27 18.342 1.668 28.852 215 HG11 VAL 27 HG11 VAL 27 16.431 1.701 30.745 216 HG12 VAL 27 HG12 VAL 27 18.154 1.570 31.101 217 HG13 VAL 27 HG13 VAL 27 17.346 3.135 31.209 218 HG21 VAL 27 HG21 VAL 27 15.582 2.351 29.014 219 HG22 VAL 27 HG22 VAL 27 16.361 3.428 27.854 220 HG23 VAL 27 HG23 VAL 27 16.475 1.680 27.649 221 H LEU 28 H LEU 28 20.636 2.575 28.577 222 HA LEU 28 HA LEU 28 21.817 2.307 31.043 223 HB2 LEU 28 HB2 LEU 28 22.916 2.550 28.278 224 HB3 LEU 28 HB3 LEU 28 24.020 2.488 29.650 225 HG LEU 28 HG LEU 28 21.946 0.360 29.332 226 HD11 LEU 28 HD11 LEU 28 24.463 0.666 27.731 227 HD12 LEU 28 HD12 LEU 28 22.838 0.264 27.177 228 HD13 LEU 28 HD13 LEU 28 23.777 -0.919 28.087 229 HD21 LEU 28 HD21 LEU 28 23.111 0.203 31.354 230 HD22 LEU 28 HD22 LEU 28 24.652 0.620 30.604 231 HD23 LEU 28 HD23 LEU 28 23.918 -0.954 30.295 232 H VAL 29 H VAL 29 22.291 4.977 28.736 233 HA VAL 29 HA VAL 29 24.015 6.473 30.411 234 HB VAL 29 HB VAL 29 22.246 7.572 28.227 235 HG11 VAL 29 HG11 VAL 29 23.399 9.186 29.747 236 HG12 VAL 29 HG12 VAL 29 24.937 8.523 29.193 237 HG13 VAL 29 HG13 VAL 29 23.860 9.325 28.050 238 HG21 VAL 29 HG21 VAL 29 24.976 6.305 28.018 239 HG22 VAL 29 HG22 VAL 29 23.470 5.674 27.349 240 HG23 VAL 29 HG23 VAL 29 24.157 7.171 26.718 241 H TYR 30 H TYR 30 20.523 6.614 29.819 242 HA TYR 30 HA TYR 30 19.837 8.879 31.204 243 HB2 TYR 30 HB2 TYR 30 18.465 6.725 30.101 244 HB3 TYR 30 HB3 TYR 30 17.991 6.708 31.796 245 HD1 TYR 30 HD1 TYR 30 16.008 7.789 32.218 246 HD2 TYR 30 HD2 TYR 30 18.561 9.331 29.184 247 HE1 TYR 30 HE1 TYR 30 14.396 9.598 31.789 248 HE2 TYR 30 HE2 TYR 30 16.958 11.144 28.747 249 HH TYR 30 HH TYR 30 13.835 11.116 29.746 250 H LYS 31 H LYS 31 20.498 5.662 32.508 251 HA LYS 31 HA LYS 31 20.005 6.552 35.227 252 HB2 LYS 31 HB2 LYS 31 21.170 3.899 34.404 253 HB3 LYS 31 HB3 LYS 31 20.292 4.291 35.876 254 HG2 LYS 31 HG2 LYS 31 18.231 4.447 34.704 255 HG3 LYS 31 HG3 LYS 31 19.045 4.359 33.141 256 HD2 LYS 31 HD2 LYS 31 19.288 2.111 33.245 257 HD3 LYS 31 HD3 LYS 31 19.547 2.114 34.991 258 HE2 LYS 31 HE2 LYS 31 17.219 2.278 35.422 259 HE3 LYS 31 HE3 LYS 31 16.863 2.631 33.731 260 HZ1 LYS 31 HZ1 LYS 31 16.328 0.341 34.317 261 HZ2 LYS 31 HZ2 LYS 31 17.937 0.058 34.754 262 HZ3 LYS 31 HZ3 LYS 31 17.545 0.400 33.144 263 H PHE 32 H PHE 32 22.762 5.250 33.383 264 HA PHE 32 HA PHE 32 24.724 5.432 35.302 265 HB2 PHE 32 HB2 PHE 32 24.741 5.642 32.322 266 HB3 PHE 32 HB3 PHE 32 26.220 6.015 33.201 267 HD1 PHE 32 HD1 PHE 32 23.596 3.428 33.757 268 HD2 PHE 32 HD2 PHE 32 27.681 4.263 32.905 269 HE1 PHE 32 HE1 PHE 32 24.112 1.026 33.895 270 HE2 PHE 32 HE2 PHE 32 28.204 1.863 33.041 271 HZ PHE 32 HZ PHE 32 26.418 0.241 33.535 272 H TYR 33 H TYR 33 23.119 7.983 33.621 273 HA TYR 33 HA TYR 33 25.021 9.943 34.720 274 HB2 TYR 33 HB2 TYR 33 23.171 10.054 32.346 275 HB3 TYR 33 HB3 TYR 33 23.855 11.513 33.053 276 HD1 TYR 33 HD1 TYR 33 25.087 8.134 32.007 277 HD2 TYR 33 HD2 TYR 33 25.711 12.343 31.980 278 HE1 TYR 33 HE1 TYR 33 27.126 7.817 30.670 279 HE2 TYR 33 HE2 TYR 33 27.751 12.037 30.642 280 HH TYR 33 HH TYR 33 29.471 9.969 30.355 281 H PHE 34 H PHE 34 21.547 9.432 34.135 282 HA PHE 34 HA PHE 34 20.991 11.198 36.426 283 HB2 PHE 34 HB2 PHE 34 19.041 10.502 34.231 284 HB3 PHE 34 HB3 PHE 34 18.910 11.788 35.427 285 HD1 PHE 34 HD1 PHE 34 20.685 10.690 32.390 286 HD2 PHE 34 HD2 PHE 34 19.917 13.901 35.077 287 HE1 PHE 34 HE1 PHE 34 21.728 12.259 30.808 288 HE2 PHE 34 HE2 PHE 34 20.958 15.475 33.498 289 HZ PHE 34 HZ PHE 34 21.864 14.655 31.360 290 H HIS 35 H HIS 35 21.673 8.714 37.134 291 HA HIS 35 HA HIS 35 19.843 6.670 37.154 292 HB2 HIS 35 HB2 HIS 35 21.989 6.295 38.116 293 HB3 HIS 35 HB3 HIS 35 21.760 7.578 39.300 294 HD1 HIS 35 HD1 HIS 35 21.566 6.532 41.524 295 HD2 HIS 35 HD2 HIS 35 19.560 4.345 38.617 296 HE1 HIS 35 HE1 HIS 35 20.470 4.630 42.751 Start of MODEL 2 1 H1 MET 1 H MET 1 4.405 1.636 -0.861 2 HA MET 1 HA MET 1 4.532 1.832 -3.762 3 HB2 MET 1 HB2 MET 1 6.395 2.783 -2.601 4 HB3 MET 1 HB3 MET 1 6.624 1.324 -1.647 5 HG2 MET 1 HG2 MET 1 8.322 1.453 -3.336 6 HG3 MET 1 HG3 MET 1 7.239 0.110 -3.694 7 HE1 MET 1 HE1 MET 1 9.347 1.388 -5.554 8 HE2 MET 1 HE2 MET 1 8.339 0.206 -6.390 9 HE3 MET 1 HE3 MET 1 8.587 1.806 -7.090 10 H ASN 2 H ASN 2 4.900 -0.605 -1.219 11 HA ASN 2 HA ASN 2 5.270 -2.720 -3.170 12 HB2 ASN 2 HB2 ASN 2 4.997 -2.877 -0.160 13 HB3 ASN 2 HB3 ASN 2 5.486 -4.193 -1.223 14 HD21 ASN 2 HD21 ASN 2 6.462 -1.390 0.469 15 HD22 ASN 2 HD22 ASN 2 8.133 -1.431 0.031 16 H ILE 3 H ILE 3 2.998 -1.829 -3.940 17 HA ILE 3 HA ILE 3 0.633 -2.403 -2.653 18 HB ILE 3 HB ILE 3 1.180 -2.732 -5.606 19 HG12 ILE 3 HG12 ILE 3 0.149 -0.335 -4.073 20 HG13 ILE 3 HG13 ILE 3 1.788 -0.504 -4.692 21 HG21 ILE 3 HG21 ILE 3 -1.402 -2.357 -4.096 22 HG22 ILE 3 HG22 ILE 3 -1.239 -2.285 -5.850 23 HG23 ILE 3 HG23 ILE 3 -0.899 -3.789 -4.994 24 HD11 ILE 3 HD11 ILE 3 -0.461 0.552 -5.996 25 HD12 ILE 3 HD12 ILE 3 1.157 0.296 -6.650 26 HD13 ILE 3 HD13 ILE 3 -0.068 -0.962 -6.809 27 H THR 4 H THR 4 2.318 -4.552 -4.951 28 HA THR 4 HA THR 4 0.958 -6.829 -3.662 29 HB THR 4 HB THR 4 1.718 -7.879 -6.033 30 HG1 THR 4 HG1 THR 4 2.373 -6.149 -7.146 31 HG21 THR 4 HG21 THR 4 -0.619 -7.486 -6.782 32 HG22 THR 4 HG22 THR 4 -0.823 -6.358 -5.442 33 HG23 THR 4 HG23 THR 4 -0.510 -8.063 -5.120 34 H SER 5 H SER 5 3.961 -5.425 -4.607 35 HA SER 5 HA SER 5 5.531 -7.810 -4.468 36 HB2 SER 5 HB2 SER 5 6.036 -5.468 -5.590 37 HB3 SER 5 HB3 SER 5 6.737 -5.112 -4.012 38 HG SER 5 HG SER 5 8.403 -6.035 -4.978 39 H GLN 6 H GLN 6 7.554 -7.630 -2.892 40 HA GLN 6 HA GLN 6 6.785 -6.756 -0.229 41 HB2 GLN 6 HB2 GLN 6 7.008 -8.894 0.811 42 HB3 GLN 6 HB3 GLN 6 5.874 -9.077 -0.521 43 HG2 GLN 6 HG2 GLN 6 7.894 -9.861 -1.882 44 HG3 GLN 6 HG3 GLN 6 8.706 -10.028 -0.326 45 HE21 GLN 6 HE21 GLN 6 8.313 -11.775 0.893 46 HE22 GLN 6 HE22 GLN 6 7.177 -13.016 0.498 47 H MET 7 H MET 7 8.630 -7.421 1.366 48 HA MET 7 HA MET 7 11.233 -7.299 0.020 49 HB2 MET 7 HB2 MET 7 10.110 -5.052 1.063 50 HB3 MET 7 HB3 MET 7 11.005 -5.651 2.454 51 HG2 MET 7 HG2 MET 7 12.620 -4.375 1.521 52 HG3 MET 7 HG3 MET 7 12.928 -5.876 0.652 53 HE1 MET 7 HE1 MET 7 13.903 -3.438 -1.871 54 HE2 MET 7 HE2 MET 7 13.259 -2.236 -0.752 55 HE3 MET 7 HE3 MET 7 14.168 -3.618 -0.136 56 H ASN 8 H ASN 8 13.050 -7.798 1.485 57 HA ASN 8 HA ASN 8 12.598 -10.164 2.918 58 HB2 ASN 8 HB2 ASN 8 14.912 -8.304 2.593 59 HB3 ASN 8 HB3 ASN 8 14.989 -9.521 3.864 60 HD21 ASN 8 HD21 ASN 8 15.195 -11.660 3.330 61 HD22 ASN 8 HD22 ASN 8 15.528 -12.203 1.724 62 H LYS 9 H LYS 9 11.603 -10.392 4.798 63 HA LYS 9 HA LYS 9 11.175 -8.216 6.595 64 HB2 LYS 9 HB2 LYS 9 9.620 -10.179 6.224 65 HB3 LYS 9 HB3 LYS 9 10.744 -11.149 7.168 66 HG2 LYS 9 HG2 LYS 9 9.003 -10.472 8.623 67 HG3 LYS 9 HG3 LYS 9 10.430 -9.522 9.045 68 HD2 LYS 9 HD2 LYS 9 9.575 -7.593 7.961 69 HD3 LYS 9 HD3 LYS 9 8.290 -8.518 7.180 70 HE2 LYS 9 HE2 LYS 9 7.460 -7.191 9.074 71 HE3 LYS 9 HE3 LYS 9 7.238 -8.921 9.326 72 HZ1 LYS 9 HZ1 LYS 9 8.796 -8.979 10.969 73 HZ2 LYS 9 HZ2 LYS 9 8.221 -7.404 11.195 74 HZ3 LYS 9 HZ3 LYS 9 9.672 -7.664 10.364 75 H THR 10 H THR 10 13.549 -10.721 6.310 76 HA THR 10 HA THR 10 14.488 -10.933 8.913 77 HB THR 10 HB THR 10 16.530 -10.866 6.755 78 HG1 THR 10 HG1 THR 10 15.717 -12.895 5.964 79 HG21 THR 10 HG21 THR 10 15.807 -12.840 8.924 80 HG22 THR 10 HG22 THR 10 17.121 -11.664 8.969 81 HG23 THR 10 HG23 THR 10 17.174 -13.001 7.822 82 H ILE 11 H ILE 11 15.462 -8.633 6.381 83 HA ILE 11 HA ILE 11 17.430 -7.285 7.834 84 HB ILE 11 HB ILE 11 15.606 -6.095 5.742 85 HG12 ILE 11 HG12 ILE 11 16.729 -8.168 4.979 86 HG13 ILE 11 HG13 ILE 11 17.297 -6.742 4.117 87 HG21 ILE 11 HG21 ILE 11 17.805 -5.040 7.281 88 HG22 ILE 11 HG22 ILE 11 18.160 -4.999 5.555 89 HG23 ILE 11 HG23 ILE 11 16.708 -4.213 6.176 90 HD11 ILE 11 HD11 ILE 11 18.863 -8.658 5.311 91 HD12 ILE 11 HD12 ILE 11 19.388 -7.055 4.795 92 HD13 ILE 11 HD13 ILE 11 18.893 -7.327 6.466 93 H ILE 12 H ILE 12 13.956 -6.616 7.529 94 HA ILE 12 HA ILE 12 13.900 -4.272 9.064 95 HB ILE 12 HB ILE 12 11.716 -6.337 8.759 96 HG12 ILE 12 HG12 ILE 12 12.544 -5.469 6.605 97 HG13 ILE 12 HG13 ILE 12 10.903 -4.924 6.937 98 HG21 ILE 12 HG21 ILE 12 11.275 -4.854 10.619 99 HG22 ILE 12 HG22 ILE 12 11.600 -3.447 9.608 100 HG23 ILE 12 HG23 ILE 12 10.199 -4.466 9.277 101 HD11 ILE 12 HD11 ILE 12 12.144 -3.106 6.023 102 HD12 ILE 12 HD12 ILE 12 11.852 -2.771 7.730 103 HD13 ILE 12 HD13 ILE 12 13.438 -3.330 7.200 104 H GLY 13 H GLY 13 13.391 -7.662 10.015 105 HA2 GLY 13 HA2 GLY 13 12.730 -7.319 12.673 106 HA3 GLY 13 HA3 GLY 13 13.628 -8.696 12.053 107 H VAL 14 H VAL 14 16.031 -8.078 11.556 108 HA VAL 14 HA VAL 14 17.345 -7.662 13.941 109 HB VAL 14 HB VAL 14 18.413 -7.025 11.187 110 HG11 VAL 14 HG11 VAL 14 19.623 -7.077 13.871 111 HG12 VAL 14 HG12 VAL 14 20.533 -7.906 12.606 112 HG13 VAL 14 HG13 VAL 14 20.112 -6.203 12.420 113 HG21 VAL 14 HG21 VAL 14 17.663 -9.507 12.421 114 HG22 VAL 14 HG22 VAL 14 18.262 -9.208 10.789 115 HG23 VAL 14 HG23 VAL 14 19.399 -9.483 12.109 116 H SER 15 H SER 15 16.570 -5.282 11.431 117 HA SER 15 HA SER 15 17.923 -3.083 12.393 118 HB2 SER 15 HB2 SER 15 16.374 -3.395 10.291 119 HB3 SER 15 HB3 SER 15 15.134 -2.732 11.354 120 HG SER 15 HG SER 15 16.383 -1.184 10.051 121 H VAL 16 H VAL 16 14.672 -4.195 13.296 122 HA VAL 16 HA VAL 16 14.126 -2.128 15.132 123 HB VAL 16 HB VAL 16 13.035 -4.932 15.316 124 HG11 VAL 16 HG11 VAL 16 12.147 -3.879 17.124 125 HG12 VAL 16 HG12 VAL 16 12.290 -2.276 16.400 126 HG13 VAL 16 HG13 VAL 16 10.979 -3.351 15.912 127 HG21 VAL 16 HG21 VAL 16 12.324 -4.657 13.211 128 HG22 VAL 16 HG22 VAL 16 11.182 -3.499 13.894 129 HG23 VAL 16 HG23 VAL 16 12.706 -2.935 13.210 130 H LEU 17 H LEU 17 15.507 -5.366 15.565 131 HA LEU 17 HA LEU 17 15.675 -5.362 18.350 132 HB2 LEU 17 HB2 LEU 17 17.377 -6.690 16.256 133 HB3 LEU 17 HB3 LEU 17 17.586 -6.975 17.982 134 HG LEU 17 HG LEU 17 14.992 -7.501 16.549 135 HD11 LEU 17 HD11 LEU 17 15.773 -9.388 15.687 136 HD12 LEU 17 HD12 LEU 17 16.463 -9.872 17.236 137 HD13 LEU 17 HD13 LEU 17 17.398 -8.864 16.132 138 HD21 LEU 17 HD21 LEU 17 15.109 -9.205 18.627 139 HD22 LEU 17 HD22 LEU 17 14.391 -7.597 18.722 140 HD23 LEU 17 HD23 LEU 17 16.044 -7.860 19.280 141 H SER 18 H SER 18 17.834 -4.025 15.913 142 HA SER 18 HA SER 18 19.921 -3.363 17.748 143 HB2 SER 18 HB2 SER 18 19.491 -3.225 14.910 144 HB3 SER 18 HB3 SER 18 20.094 -1.671 15.486 145 HG SER 18 HG SER 18 21.835 -2.778 16.448 146 H VAL 19 H VAL 19 17.068 -1.746 16.538 147 HA VAL 19 HA VAL 19 17.724 0.881 17.346 148 HB VAL 19 HB VAL 19 15.008 -0.398 17.006 149 HG11 VAL 19 HG11 VAL 19 14.434 2.116 16.586 150 HG12 VAL 19 HG12 VAL 19 14.504 1.485 18.233 151 HG13 VAL 19 HG13 VAL 19 15.862 2.403 17.580 152 HG21 VAL 19 HG21 VAL 19 15.228 -0.115 14.805 153 HG22 VAL 19 HG22 VAL 19 15.856 1.522 15.003 154 HG23 VAL 19 HG23 VAL 19 16.947 0.140 15.106 155 H LEU 20 H LEU 20 15.665 -1.578 18.907 156 HA LEU 20 HA LEU 20 15.165 -0.109 21.248 157 HB2 LEU 20 HB2 LEU 20 14.649 -2.369 22.237 158 HB3 LEU 20 HB3 LEU 20 13.750 -1.929 20.787 159 HG LEU 20 HG LEU 20 15.854 -3.321 19.740 160 HD11 LEU 20 HD11 LEU 20 16.282 -3.847 22.294 161 HD12 LEU 20 HD12 LEU 20 16.513 -5.069 21.043 162 HD13 LEU 20 HD13 LEU 20 15.034 -5.060 22.004 163 HD21 LEU 20 HD21 LEU 20 14.153 -5.242 19.709 164 HD22 LEU 20 HD22 LEU 20 13.697 -3.719 18.946 165 HD23 LEU 20 HD23 LEU 20 13.079 -4.123 20.549 166 H VAL 21 H VAL 21 17.568 -2.651 20.589 167 HA VAL 21 HA VAL 21 18.771 -2.842 23.051 168 HB VAL 21 HB VAL 21 19.951 -3.040 20.290 169 HG11 VAL 21 HG11 VAL 21 21.901 -2.535 21.368 170 HG12 VAL 21 HG12 VAL 21 21.320 -3.121 22.929 171 HG13 VAL 21 HG13 VAL 21 21.826 -4.268 21.687 172 HG21 VAL 21 HG21 VAL 21 18.352 -4.738 21.751 173 HG22 VAL 21 HG22 VAL 21 19.369 -5.196 20.385 174 HG23 VAL 21 HG23 VAL 21 19.973 -5.373 22.032 175 H VAL 22 H VAL 22 19.927 -0.745 20.401 176 HA VAL 22 HA VAL 22 21.876 0.627 21.789 177 HB VAL 22 HB VAL 22 20.069 1.704 19.619 178 HG11 VAL 22 HG11 VAL 22 21.095 3.563 20.699 179 HG12 VAL 22 HG12 VAL 22 22.660 2.750 20.744 180 HG13 VAL 22 HG13 VAL 22 21.981 3.272 19.202 181 HG21 VAL 22 HG21 VAL 22 22.841 0.970 19.002 182 HG22 VAL 22 HG22 VAL 22 21.804 -0.385 19.448 183 HG23 VAL 22 HG23 VAL 22 21.357 0.661 18.101 184 H SER 23 H SER 23 18.472 1.595 21.365 185 HA SER 23 HA SER 23 18.516 3.943 22.825 186 HB2 SER 23 HB2 SER 23 16.567 2.434 21.575 187 HB3 SER 23 HB3 SER 23 16.076 2.389 23.268 188 HG SER 23 HG SER 23 15.459 4.378 23.079 189 H VAL 24 H VAL 24 17.760 0.669 24.005 190 HA VAL 24 HA VAL 24 17.273 1.239 26.658 191 HB VAL 24 HB VAL 24 18.704 -1.183 25.556 192 HG11 VAL 24 HG11 VAL 24 17.980 -0.407 28.258 193 HG12 VAL 24 HG12 VAL 24 17.259 -1.946 27.784 194 HG13 VAL 24 HG13 VAL 24 19.007 -1.726 27.698 195 HG21 VAL 24 HG21 VAL 24 16.744 -1.903 24.789 196 HG22 VAL 24 HG22 VAL 24 15.948 -1.558 26.325 197 HG23 VAL 24 HG23 VAL 24 16.100 -0.291 25.107 198 H VAL 25 H VAL 25 20.415 0.377 25.208 199 HA VAL 25 HA VAL 25 22.007 0.544 27.452 200 HB VAL 25 HB VAL 25 22.722 1.386 24.639 201 HG11 VAL 25 HG11 VAL 25 25.054 0.860 25.373 202 HG12 VAL 25 HG12 VAL 25 24.354 2.292 26.130 203 HG13 VAL 25 HG13 VAL 25 24.454 0.777 27.028 204 HG21 VAL 25 HG21 VAL 25 21.864 -1.010 25.202 205 HG22 VAL 25 HG22 VAL 25 23.295 -0.806 24.192 206 HG23 VAL 25 HG23 VAL 25 23.471 -1.218 25.898 207 H ALA 26 H ALA 26 21.318 3.175 25.145 208 HA ALA 26 HA ALA 26 22.716 5.213 26.365 209 HB1 ALA 26 HB1 ALA 26 20.810 6.688 25.393 210 HB2 ALA 26 HB2 ALA 26 21.845 5.769 24.299 211 HB3 ALA 26 HB3 ALA 26 20.235 5.172 24.699 212 H VAL 27 H VAL 27 19.495 3.987 27.133 213 HA VAL 27 HA VAL 27 18.903 5.995 29.071 214 HB VAL 27 HB VAL 27 17.683 3.249 28.748 215 HG11 VAL 27 HG11 VAL 27 15.913 5.236 29.801 216 HG12 VAL 27 HG12 VAL 27 16.415 3.702 30.514 217 HG13 VAL 27 HG13 VAL 27 17.370 5.159 30.792 218 HG21 VAL 27 HG21 VAL 27 15.859 5.035 27.800 219 HG22 VAL 27 HG22 VAL 27 17.375 5.760 27.265 220 HG23 VAL 27 HG23 VAL 27 16.974 4.107 26.798 221 H LEU 28 H LEU 28 20.021 2.629 29.281 222 HA LEU 28 HA LEU 28 20.045 2.277 32.006 223 HB2 LEU 28 HB2 LEU 28 21.982 1.314 29.916 224 HB3 LEU 28 HB3 LEU 28 22.037 0.779 31.595 225 HG LEU 28 HG LEU 28 19.554 0.440 29.948 226 HD11 LEU 28 HD11 LEU 28 20.736 -2.014 29.902 227 HD12 LEU 28 HD12 LEU 28 22.113 -0.944 29.639 228 HD13 LEU 28 HD13 LEU 28 20.721 -0.871 28.559 229 HD21 LEU 28 HD21 LEU 28 19.734 0.141 32.508 230 HD22 LEU 28 HD22 LEU 28 20.593 -1.348 32.114 231 HD23 LEU 28 HD23 LEU 28 18.935 -1.112 31.559 232 H VAL 29 H VAL 29 22.669 3.637 30.020 233 HA VAL 29 HA VAL 29 24.377 4.225 32.196 234 HB VAL 29 HB VAL 29 24.336 5.640 29.530 235 HG11 VAL 29 HG11 VAL 29 25.747 6.649 31.272 236 HG12 VAL 29 HG12 VAL 29 26.590 5.110 31.464 237 HG13 VAL 29 HG13 VAL 29 26.700 5.994 29.942 238 HG21 VAL 29 HG21 VAL 29 24.353 3.264 29.112 239 HG22 VAL 29 HG22 VAL 29 25.961 3.918 28.802 240 HG23 VAL 29 HG23 VAL 29 25.643 3.030 30.292 241 H TYR 30 H TYR 30 22.014 6.173 30.412 242 HA TYR 30 HA TYR 30 22.474 8.664 31.465 243 HB2 TYR 30 HB2 TYR 30 20.468 7.483 29.945 244 HB3 TYR 30 HB3 TYR 30 19.621 8.089 31.364 245 HD1 TYR 30 HD1 TYR 30 18.826 10.252 31.286 246 HD2 TYR 30 HD2 TYR 30 22.201 9.228 28.907 247 HE1 TYR 30 HE1 TYR 30 18.826 12.515 30.324 248 HE2 TYR 30 HE2 TYR 30 22.212 11.489 27.939 249 HH TYR 30 HH TYR 30 19.850 13.462 27.850 250 H LYS 31 H LYS 31 20.661 6.000 32.915 251 HA LYS 31 HA LYS 31 20.056 7.562 35.284 252 HB2 LYS 31 HB2 LYS 31 19.576 4.610 34.925 253 HB3 LYS 31 HB3 LYS 31 18.736 5.727 35.993 254 HG2 LYS 31 HG2 LYS 31 17.613 6.756 34.170 255 HG3 LYS 31 HG3 LYS 31 18.617 5.905 32.994 256 HD2 LYS 31 HD2 LYS 31 16.753 4.586 32.927 257 HD3 LYS 31 HD3 LYS 31 17.630 3.783 34.232 258 HE2 LYS 31 HE2 LYS 31 15.583 4.008 35.219 259 HE3 LYS 31 HE3 LYS 31 16.324 5.529 35.716 260 HZ1 LYS 31 HZ1 LYS 31 14.227 5.048 33.723 261 HZ2 LYS 31 HZ2 LYS 31 15.266 6.363 33.498 262 HZ3 LYS 31 HZ3 LYS 31 14.332 6.255 34.904 263 H PHE 32 H PHE 32 21.867 4.587 34.536 264 HA PHE 32 HA PHE 32 22.902 4.040 37.026 265 HB2 PHE 32 HB2 PHE 32 23.869 3.561 34.243 266 HB3 PHE 32 HB3 PHE 32 24.975 3.243 35.576 267 HD1 PHE 32 HD1 PHE 32 23.435 2.064 37.633 268 HD2 PHE 32 HD2 PHE 32 23.008 1.606 33.423 269 HE1 PHE 32 HE1 PHE 32 22.382 -0.132 37.983 270 HE2 PHE 32 HE2 PHE 32 21.954 -0.590 33.766 271 HZ PHE 32 HZ PHE 32 21.639 -1.462 36.048 272 H TYR 33 H TYR 33 23.708 6.625 34.882 273 HA TYR 33 HA TYR 33 25.988 7.366 36.591 274 HB2 TYR 33 HB2 TYR 33 25.350 7.977 33.712 275 HB3 TYR 33 HB3 TYR 33 26.525 8.926 34.616 276 HD1 TYR 33 HD1 TYR 33 28.721 8.341 34.268 277 HD2 TYR 33 HD2 TYR 33 25.753 5.298 34.099 278 HE1 TYR 33 HE1 TYR 33 30.461 6.681 33.755 279 HE2 TYR 33 HE2 TYR 33 27.485 3.629 33.587 280 HH TYR 33 HH TYR 33 29.638 3.269 33.201 281 H PHE 34 H PHE 34 23.334 8.851 34.729 282 HA PHE 34 HA PHE 34 23.311 11.059 36.671 283 HB2 PHE 34 HB2 PHE 34 21.987 11.056 33.960 284 HB3 PHE 34 HB3 PHE 34 22.338 12.440 34.990 285 HD1 PHE 34 HD1 PHE 34 24.455 13.502 34.948 286 HD2 PHE 34 HD2 PHE 34 23.827 9.885 32.795 287 HE1 PHE 34 HE1 PHE 34 26.595 13.831 33.779 288 HE2 PHE 34 HE2 PHE 34 25.966 10.207 31.623 289 HZ PHE 34 HZ PHE 34 27.354 12.182 32.115 290 H HIS 35 H HIS 35 22.161 8.780 37.581 291 HA HIS 35 HA HIS 35 19.530 8.221 37.038 292 HB2 HIS 35 HB2 HIS 35 21.291 7.394 38.926 293 HB3 HIS 35 HB3 HIS 35 20.188 8.344 39.918 294 HD1 HIS 35 HD1 HIS 35 17.515 7.649 39.374 295 HD2 HIS 35 HD2 HIS 35 20.493 4.830 38.706 296 HE1 HIS 35 HE1 HIS 35 16.342 5.425 39.348 Start of MODEL 3 1 H1 MET 1 H MET 1 9.430 0.126 7.067 2 HA MET 1 HA MET 1 10.503 2.154 5.219 3 HB2 MET 1 HB2 MET 1 11.720 -0.395 6.274 4 HB3 MET 1 HB3 MET 1 12.378 0.466 4.889 5 HG2 MET 1 HG2 MET 1 11.930 1.935 7.440 6 HG3 MET 1 HG3 MET 1 13.324 0.868 7.284 7 HE1 MET 1 HE1 MET 1 15.061 4.191 6.973 8 HE2 MET 1 HE2 MET 1 13.402 4.533 7.460 9 HE3 MET 1 HE3 MET 1 14.235 3.118 8.103 10 H ASN 2 H ASN 2 9.102 -1.052 5.510 11 HA ASN 2 HA ASN 2 8.938 -1.226 2.578 12 HB2 ASN 2 HB2 ASN 2 8.348 -3.673 3.095 13 HB3 ASN 2 HB3 ASN 2 10.016 -3.169 3.356 14 HD21 ASN 2 HD21 ASN 2 10.666 -4.439 4.965 15 HD22 ASN 2 HD22 ASN 2 9.899 -4.563 6.508 16 H ILE 3 H ILE 3 7.174 0.515 3.408 17 HA ILE 3 HA ILE 3 4.758 -0.239 4.486 18 HB ILE 3 HB ILE 3 5.156 1.708 2.211 19 HG12 ILE 3 HG12 ILE 3 6.555 2.144 4.234 20 HG13 ILE 3 HG13 ILE 3 5.382 3.414 3.905 21 HG21 ILE 3 HG21 ILE 3 2.860 1.350 2.313 22 HG22 ILE 3 HG22 ILE 3 2.868 1.166 4.066 23 HG23 ILE 3 HG23 ILE 3 3.095 2.759 3.346 24 HD11 ILE 3 HD11 ILE 3 4.528 3.190 5.929 25 HD12 ILE 3 HD12 ILE 3 4.221 1.476 5.652 26 HD13 ILE 3 HD13 ILE 3 5.778 2.001 6.292 27 H THR 4 H THR 4 5.534 -0.143 1.004 28 HA THR 4 HA THR 4 3.412 -2.146 0.579 29 HB THR 4 HB THR 4 3.740 -1.121 -1.899 30 HG1 THR 4 HG1 THR 4 4.064 1.091 -0.129 31 HG21 THR 4 HG21 THR 4 1.945 -0.112 0.307 32 HG22 THR 4 HG22 THR 4 1.592 -1.380 -0.867 33 HG23 THR 4 HG23 THR 4 1.737 0.296 -1.396 34 H SER 5 H SER 5 6.729 -1.320 0.129 35 HA SER 5 HA SER 5 7.497 -2.890 -2.007 36 HB2 SER 5 HB2 SER 5 9.128 -2.659 0.522 37 HB3 SER 5 HB3 SER 5 9.709 -2.815 -1.136 38 HG SER 5 HG SER 5 9.829 -0.711 -0.976 39 H GLN 6 H GLN 6 8.857 -4.942 -1.816 40 HA GLN 6 HA GLN 6 7.191 -7.020 -0.842 41 HB2 GLN 6 HB2 GLN 6 8.822 -8.531 -1.714 42 HB3 GLN 6 HB3 GLN 6 8.714 -7.177 -2.831 43 HG2 GLN 6 HG2 GLN 6 10.973 -7.422 -2.702 44 HG3 GLN 6 HG3 GLN 6 10.712 -6.252 -1.410 45 HE21 GLN 6 HE21 GLN 6 12.902 -7.235 -0.902 46 HE22 GLN 6 HE22 GLN 6 12.903 -8.587 0.173 47 H MET 7 H MET 7 7.399 -8.366 0.906 48 HA MET 7 HA MET 7 9.157 -7.394 3.036 49 HB2 MET 7 HB2 MET 7 6.651 -9.051 3.009 50 HB3 MET 7 HB3 MET 7 7.696 -9.020 4.423 51 HG2 MET 7 HG2 MET 7 6.816 -6.436 3.250 52 HG3 MET 7 HG3 MET 7 5.659 -7.384 4.181 53 HE1 MET 7 HE1 MET 7 5.096 -6.069 5.739 54 HE2 MET 7 HE2 MET 7 5.867 -6.208 7.319 55 HE3 MET 7 HE3 MET 7 6.089 -4.747 6.355 56 H ASN 8 H ASN 8 10.558 -8.743 4.162 57 HA ASN 8 HA ASN 8 10.863 -11.503 3.284 58 HB2 ASN 8 HB2 ASN 8 12.315 -9.788 1.900 59 HB3 ASN 8 HB3 ASN 8 13.348 -9.839 3.325 60 HD21 ASN 8 HD21 ASN 8 11.754 -11.897 0.941 61 HD22 ASN 8 HD22 ASN 8 12.961 -13.134 0.941 62 H LYS 9 H LYS 9 11.845 -12.829 4.788 63 HA LYS 9 HA LYS 9 11.624 -12.177 7.474 64 HB2 LYS 9 HB2 LYS 9 11.722 -14.486 6.576 65 HB3 LYS 9 HB3 LYS 9 13.439 -14.270 6.260 66 HG2 LYS 9 HG2 LYS 9 13.406 -15.427 8.264 67 HG3 LYS 9 HG3 LYS 9 13.618 -13.750 8.774 68 HD2 LYS 9 HD2 LYS 9 11.072 -13.682 8.996 69 HD3 LYS 9 HD3 LYS 9 11.135 -15.442 8.878 70 HE2 LYS 9 HE2 LYS 9 12.811 -13.940 10.863 71 HE3 LYS 9 HE3 LYS 9 11.141 -14.378 11.217 72 HZ1 LYS 9 HZ1 LYS 9 12.236 -16.685 10.282 73 HZ2 LYS 9 HZ2 LYS 9 11.978 -16.303 11.909 74 HZ3 LYS 9 HZ3 LYS 9 13.488 -16.018 11.203 75 H THR 10 H THR 10 14.456 -12.061 5.362 76 HA THR 10 HA THR 10 16.413 -11.518 7.265 77 HB THR 10 HB THR 10 16.628 -10.079 4.677 78 HG1 THR 10 HG1 THR 10 16.350 -12.899 4.918 79 HG21 THR 10 HG21 THR 10 18.424 -11.989 6.178 80 HG22 THR 10 HG22 THR 10 18.533 -10.229 6.186 81 HG23 THR 10 HG23 THR 10 18.857 -11.126 4.703 82 H ILE 11 H ILE 11 14.510 -9.203 5.334 83 HA ILE 11 HA ILE 11 15.539 -6.853 6.381 84 HB ILE 11 HB ILE 11 12.677 -7.332 5.542 85 HG12 ILE 11 HG12 ILE 11 14.956 -6.276 3.865 86 HG13 ILE 11 HG13 ILE 11 14.477 -7.970 3.874 87 HG21 ILE 11 HG21 ILE 11 12.930 -5.255 6.758 88 HG22 ILE 11 HG22 ILE 11 14.294 -4.796 5.740 89 HG23 ILE 11 HG23 ILE 11 12.678 -4.920 5.045 90 HD11 ILE 11 HD11 ILE 11 12.454 -5.858 3.293 91 HD12 ILE 11 HD12 ILE 11 13.578 -6.383 2.039 92 HD13 ILE 11 HD13 ILE 11 12.490 -7.549 2.793 93 H ILE 12 H ILE 12 12.653 -8.635 7.477 94 HA ILE 12 HA ILE 12 11.940 -7.011 9.601 95 HB ILE 12 HB ILE 12 11.718 -10.021 9.474 96 HG12 ILE 12 HG12 ILE 12 10.685 -8.857 7.550 97 HG13 ILE 12 HG13 ILE 12 9.486 -9.635 8.578 98 HG21 ILE 12 HG21 ILE 12 9.803 -9.667 11.027 99 HG22 ILE 12 HG22 ILE 12 11.375 -9.281 11.725 100 HG23 ILE 12 HG23 ILE 12 10.307 -7.984 11.187 101 HD11 ILE 12 HD11 ILE 12 8.977 -7.479 9.605 102 HD12 ILE 12 HD12 ILE 12 10.170 -6.705 8.562 103 HD13 ILE 12 HD13 ILE 12 8.734 -7.449 7.859 104 H GLY 13 H GLY 13 14.217 -9.738 9.566 105 HA2 GLY 13 HA2 GLY 13 14.821 -9.902 12.256 106 HA3 GLY 13 HA3 GLY 13 15.967 -10.243 10.967 107 H VAL 14 H VAL 14 16.818 -8.111 9.904 108 HA VAL 14 HA VAL 14 18.459 -6.823 11.702 109 HB VAL 14 HB VAL 14 17.435 -5.681 9.099 110 HG11 VAL 14 HG11 VAL 14 19.362 -4.738 11.076 111 HG12 VAL 14 HG12 VAL 14 20.015 -4.819 9.439 112 HG13 VAL 14 HG13 VAL 14 18.565 -3.869 9.766 113 HG21 VAL 14 HG21 VAL 14 19.627 -7.617 9.751 114 HG22 VAL 14 HG22 VAL 14 18.374 -7.731 8.515 115 HG23 VAL 14 HG23 VAL 14 19.712 -6.600 8.312 116 H SER 15 H SER 15 15.300 -5.770 10.489 117 HA SER 15 HA SER 15 15.167 -3.240 11.571 118 HB2 SER 15 HB2 SER 15 12.871 -5.209 11.473 119 HB3 SER 15 HB3 SER 15 12.754 -3.450 11.483 120 HG SER 15 HG SER 15 13.477 -5.180 9.420 121 H VAL 16 H VAL 16 14.305 -6.314 13.129 122 HA VAL 16 HA VAL 16 13.494 -5.207 15.590 123 HB VAL 16 HB VAL 16 14.705 -7.946 15.245 124 HG11 VAL 16 HG11 VAL 16 13.115 -6.568 17.313 125 HG12 VAL 16 HG12 VAL 16 12.655 -8.235 16.962 126 HG13 VAL 16 HG13 VAL 16 14.304 -7.862 17.466 127 HG21 VAL 16 HG21 VAL 16 12.255 -6.832 14.113 128 HG22 VAL 16 HG22 VAL 16 13.119 -8.315 13.707 129 HG23 VAL 16 HG23 VAL 16 11.992 -8.294 15.064 130 H LEU 17 H LEU 17 16.614 -6.483 14.488 131 HA LEU 17 HA LEU 17 18.003 -6.293 16.900 132 HB2 LEU 17 HB2 LEU 17 18.840 -6.184 14.027 133 HB3 LEU 17 HB3 LEU 17 20.021 -5.949 15.315 134 HG LEU 17 HG LEU 17 18.287 -8.397 15.219 135 HD11 LEU 17 HD11 LEU 17 20.564 -7.689 13.486 136 HD12 LEU 17 HD12 LEU 17 19.243 -8.827 13.223 137 HD13 LEU 17 HD13 LEU 17 20.618 -9.289 14.226 138 HD21 LEU 17 HD21 LEU 17 20.994 -8.684 16.163 139 HD22 LEU 17 HD22 LEU 17 19.473 -9.023 16.990 140 HD23 LEU 17 HD23 LEU 17 20.157 -7.398 17.032 141 H SER 18 H SER 18 17.358 -3.874 14.422 142 HA SER 18 HA SER 18 19.057 -1.878 15.551 143 HB2 SER 18 HB2 SER 18 18.573 -1.646 13.239 144 HB3 SER 18 HB3 SER 18 16.837 -1.791 13.509 145 HG SER 18 HG SER 18 18.508 0.400 13.806 146 H VAL 19 H VAL 19 15.706 -2.799 15.951 147 HA VAL 19 HA VAL 19 14.806 -0.477 17.280 148 HB VAL 19 HB VAL 19 13.801 -3.318 17.499 149 HG11 VAL 19 HG11 VAL 19 11.655 -1.794 18.043 150 HG12 VAL 19 HG12 VAL 19 12.723 -2.449 19.286 151 HG13 VAL 19 HG13 VAL 19 12.925 -0.785 18.736 152 HG21 VAL 19 HG21 VAL 19 12.656 -3.003 15.600 153 HG22 VAL 19 HG22 VAL 19 12.220 -1.348 16.027 154 HG23 VAL 19 HG23 VAL 19 13.791 -1.686 15.302 155 H LEU 20 H LEU 20 15.812 -3.637 18.594 156 HA LEU 20 HA LEU 20 15.660 -2.912 21.297 157 HB2 LEU 20 HB2 LEU 20 17.259 -4.834 21.631 158 HB3 LEU 20 HB3 LEU 20 15.751 -5.205 20.797 159 HG LEU 20 HG LEU 20 17.426 -4.704 18.704 160 HD11 LEU 20 HD11 LEU 20 19.223 -4.686 20.650 161 HD12 LEU 20 HD12 LEU 20 19.565 -5.383 19.068 162 HD13 LEU 20 HD13 LEU 20 19.125 -6.431 20.416 163 HD21 LEU 20 HD21 LEU 20 17.647 -7.284 18.710 164 HD22 LEU 20 HD22 LEU 20 16.044 -6.559 18.584 165 HD23 LEU 20 HD23 LEU 20 16.602 -7.203 20.128 166 H VAL 21 H VAL 21 18.450 -2.967 19.090 167 HA VAL 21 HA VAL 21 20.451 -2.189 20.804 168 HB VAL 21 HB VAL 21 20.012 -1.533 17.901 169 HG11 VAL 21 HG11 VAL 21 22.232 -0.661 19.714 170 HG12 VAL 21 HG12 VAL 21 22.516 -0.925 17.993 171 HG13 VAL 21 HG13 VAL 21 21.338 0.277 18.519 172 HG21 VAL 21 HG21 VAL 21 22.339 -3.098 18.682 173 HG22 VAL 21 HG22 VAL 21 20.817 -3.832 19.188 174 HG23 VAL 21 HG23 VAL 21 21.088 -3.448 17.488 175 H VAL 22 H VAL 22 18.462 0.012 18.820 176 HA VAL 22 HA VAL 22 19.446 2.411 19.811 177 HB VAL 22 HB VAL 22 16.646 1.802 18.854 178 HG11 VAL 22 HG11 VAL 22 18.031 4.366 19.534 179 HG12 VAL 22 HG12 VAL 22 16.779 4.329 18.290 180 HG13 VAL 22 HG13 VAL 22 16.399 3.834 19.940 181 HG21 VAL 22 HG21 VAL 22 17.350 2.168 16.716 182 HG22 VAL 22 HG22 VAL 22 18.658 3.243 17.210 183 HG23 VAL 22 HG23 VAL 22 18.836 1.498 17.391 184 H SER 23 H SER 23 16.545 0.637 20.884 185 HA SER 23 HA SER 23 15.754 2.309 22.933 186 HB2 SER 23 HB2 SER 23 14.473 0.335 22.118 187 HB3 SER 23 HB3 SER 23 15.608 -0.715 22.966 188 HG SER 23 HG SER 23 13.861 1.209 24.103 189 H VAL 24 H VAL 24 17.946 -0.488 23.160 190 HA VAL 24 HA VAL 24 18.527 -0.398 25.854 191 HB VAL 24 HB VAL 24 20.434 -1.068 23.607 192 HG11 VAL 24 HG11 VAL 24 21.953 -1.115 25.253 193 HG12 VAL 24 HG12 VAL 24 20.723 -1.073 26.518 194 HG13 VAL 24 HG13 VAL 24 21.149 -2.603 25.751 195 HG21 VAL 24 HG21 VAL 24 18.073 -2.343 24.447 196 HG22 VAL 24 HG22 VAL 24 19.293 -2.956 23.331 197 HG23 VAL 24 HG23 VAL 24 19.410 -3.322 25.052 198 H VAL 25 H VAL 25 20.327 1.229 23.240 199 HA VAL 25 HA VAL 25 22.226 2.534 24.754 200 HB VAL 25 HB VAL 25 20.833 3.574 22.282 201 HG11 VAL 25 HG11 VAL 25 23.389 4.431 23.628 202 HG12 VAL 25 HG12 VAL 25 22.936 4.891 21.986 203 HG13 VAL 25 HG13 VAL 25 21.943 5.401 23.352 204 HG21 VAL 25 HG21 VAL 25 22.160 1.292 22.377 205 HG22 VAL 25 HG22 VAL 25 22.311 2.388 21.003 206 HG23 VAL 25 HG23 VAL 25 23.551 2.369 22.257 207 H ALA 26 H ALA 26 19.074 3.859 23.732 208 HA ALA 26 HA ALA 26 19.188 6.292 25.023 209 HB1 ALA 26 HB1 ALA 26 17.234 4.800 23.679 210 HB2 ALA 26 HB2 ALA 26 16.531 5.226 25.240 211 HB3 ALA 26 HB3 ALA 26 17.146 6.490 24.176 212 H VAL 27 H VAL 27 18.473 3.125 26.350 213 HA VAL 27 HA VAL 27 17.558 4.086 28.885 214 HB VAL 27 HB VAL 27 18.565 1.343 28.116 215 HG11 VAL 27 HG11 VAL 27 17.012 2.262 30.533 216 HG12 VAL 27 HG12 VAL 27 17.360 0.582 30.121 217 HG13 VAL 27 HG13 VAL 27 18.678 1.685 30.516 218 HG21 VAL 27 HG21 VAL 27 16.628 1.049 27.074 219 HG22 VAL 27 HG22 VAL 27 15.760 1.438 28.558 220 HG23 VAL 27 HG23 VAL 27 16.183 2.719 27.423 221 H LEU 28 H LEU 28 20.598 2.631 27.745 222 HA LEU 28 HA LEU 28 22.008 2.584 30.113 223 HB2 LEU 28 HB2 LEU 28 22.822 2.961 27.263 224 HB3 LEU 28 HB3 LEU 28 24.028 3.079 28.543 225 HG LEU 28 HG LEU 28 22.285 0.657 28.383 226 HD11 LEU 28 HD11 LEU 28 24.106 -0.365 26.963 227 HD12 LEU 28 HD12 LEU 28 24.640 1.281 26.621 228 HD13 LEU 28 HD13 LEU 28 23.024 0.762 26.143 229 HD21 LEU 28 HD21 LEU 28 25.176 0.577 28.995 230 HD22 LEU 28 HD22 LEU 28 23.830 -0.283 29.744 231 HD23 LEU 28 HD23 LEU 28 24.143 1.402 30.163 232 H VAL 29 H VAL 29 21.670 5.271 27.822 233 HA VAL 29 HA VAL 29 23.343 7.065 29.245 234 HB VAL 29 HB VAL 29 21.099 7.785 27.357 235 HG11 VAL 29 HG11 VAL 29 23.625 9.263 28.087 236 HG12 VAL 29 HG12 VAL 29 22.382 9.809 26.960 237 HG13 VAL 29 HG13 VAL 29 22.008 9.647 28.676 238 HG21 VAL 29 HG21 VAL 29 22.722 7.700 25.568 239 HG22 VAL 29 HG22 VAL 29 23.991 7.229 26.698 240 HG23 VAL 29 HG23 VAL 29 22.649 6.131 26.371 241 H TYR 30 H TYR 30 19.810 6.684 29.100 242 HA TYR 30 HA TYR 30 19.019 8.770 30.701 243 HB2 TYR 30 HB2 TYR 30 17.817 6.477 29.635 244 HB3 TYR 30 HB3 TYR 30 17.513 6.387 31.367 245 HD1 TYR 30 HD1 TYR 30 15.615 7.421 32.174 246 HD2 TYR 30 HD2 TYR 30 17.378 8.891 28.592 247 HE1 TYR 30 HE1 TYR 30 13.774 9.034 31.938 248 HE2 TYR 30 HE2 TYR 30 15.542 10.510 28.346 249 HH TYR 30 HH TYR 30 13.780 11.466 29.380 250 H LYS 31 H LYS 31 20.349 5.661 31.670 251 HA LYS 31 HA LYS 31 19.985 6.235 34.490 252 HB2 LYS 31 HB2 LYS 31 21.651 3.966 33.473 253 HB3 LYS 31 HB3 LYS 31 20.626 4.042 34.900 254 HG2 LYS 31 HG2 LYS 31 19.081 4.364 32.482 255 HG3 LYS 31 HG3 LYS 31 20.018 2.868 32.461 256 HD2 LYS 31 HD2 LYS 31 18.986 2.992 35.034 257 HD3 LYS 31 HD3 LYS 31 17.667 3.564 34.010 258 HE2 LYS 31 HE2 LYS 31 17.572 1.141 34.328 259 HE3 LYS 31 HE3 LYS 31 17.845 1.560 32.638 260 HZ1 LYS 31 HZ1 LYS 31 20.258 1.169 34.169 261 HZ2 LYS 31 HZ2 LYS 31 19.839 0.579 32.640 262 HZ3 LYS 31 HZ3 LYS 31 19.301 -0.220 34.031 263 H PHE 32 H PHE 32 22.769 5.579 32.357 264 HA PHE 32 HA PHE 32 24.808 6.115 34.127 265 HB2 PHE 32 HB2 PHE 32 24.543 6.351 31.161 266 HB3 PHE 32 HB3 PHE 32 25.986 7.004 31.931 267 HD1 PHE 32 HD1 PHE 32 27.732 5.580 31.461 268 HD2 PHE 32 HD2 PHE 32 23.985 3.944 32.647 269 HE1 PHE 32 HE1 PHE 32 28.729 3.331 31.499 270 HE2 PHE 32 HE2 PHE 32 24.977 1.693 32.687 271 HZ PHE 32 HZ PHE 32 27.352 1.384 32.114 272 H TYR 33 H TYR 33 22.603 8.320 32.652 273 HA TYR 33 HA TYR 33 24.186 10.607 33.616 274 HB2 TYR 33 HB2 TYR 33 22.073 10.382 31.479 275 HB3 TYR 33 HB3 TYR 33 22.574 11.935 32.137 276 HD1 TYR 33 HD1 TYR 33 24.133 13.088 30.900 277 HD2 TYR 33 HD2 TYR 33 24.208 8.835 30.820 278 HE1 TYR 33 HE1 TYR 33 26.012 13.157 29.314 279 HE2 TYR 33 HE2 TYR 33 26.088 8.892 29.234 280 HH TYR 33 HH TYR 33 27.588 10.184 28.203 281 H PHE 34 H PHE 34 20.794 9.545 33.319 282 HA PHE 34 HA PHE 34 20.183 11.103 35.740 283 HB2 PHE 34 HB2 PHE 34 18.173 10.059 33.746 284 HB3 PHE 34 HB3 PHE 34 17.930 11.286 34.985 285 HD1 PHE 34 HD1 PHE 34 18.486 13.557 34.597 286 HD2 PHE 34 HD2 PHE 34 19.520 10.576 31.740 287 HE1 PHE 34 HE1 PHE 34 19.027 15.315 32.963 288 HE2 PHE 34 HE2 PHE 34 20.063 12.329 30.102 289 HZ PHE 34 HZ PHE 34 19.818 14.703 30.713 290 H HIS 35 H HIS 35 21.407 8.761 36.253 291 HA HIS 35 HA HIS 35 19.967 6.427 36.430 292 HB2 HIS 35 HB2 HIS 35 22.409 7.217 37.304 293 HB3 HIS 35 HB3 HIS 35 21.553 7.084 38.837 294 HD1 HIS 35 HD1 HIS 35 23.806 5.159 38.370 295 HD2 HIS 35 HD2 HIS 35 19.899 4.357 37.209 296 HE1 HIS 35 HE1 HIS 35 23.655 2.654 38.204 Start of MODEL 4 1 H1 MET 1 H MET 1 9.802 -2.274 0.980 2 HA MET 1 HA MET 1 10.235 -5.038 1.751 3 HB2 MET 1 HB2 MET 1 9.776 -3.422 3.506 4 HB3 MET 1 HB3 MET 1 8.264 -2.967 2.733 5 HG2 MET 1 HG2 MET 1 7.239 -4.479 3.971 6 HG3 MET 1 HG3 MET 1 8.116 -5.732 3.095 7 HE1 MET 1 HE1 MET 1 7.523 -4.136 6.590 8 HE2 MET 1 HE2 MET 1 6.890 -5.691 6.051 9 HE3 MET 1 HE3 MET 1 8.076 -5.625 7.356 10 H ASN 2 H ASN 2 7.204 -3.294 1.084 11 HA ASN 2 HA ASN 2 6.408 -5.487 -0.704 12 HB2 ASN 2 HB2 ASN 2 5.389 -5.831 1.534 13 HB3 ASN 2 HB3 ASN 2 4.626 -4.249 1.406 14 HD21 ASN 2 HD21 ASN 2 2.690 -5.589 1.755 15 HD22 ASN 2 HD22 ASN 2 1.922 -6.286 0.372 16 H ILE 3 H ILE 3 7.380 -3.298 -1.821 17 HA ILE 3 HA ILE 3 5.819 -1.064 -2.212 18 HB ILE 3 HB ILE 3 7.470 -2.470 -4.315 19 HG12 ILE 3 HG12 ILE 3 8.229 -0.279 -2.372 20 HG13 ILE 3 HG13 ILE 3 8.729 -1.962 -2.252 21 HG21 ILE 3 HG21 ILE 3 7.620 -0.281 -5.379 22 HG22 ILE 3 HG22 ILE 3 5.943 -0.811 -5.254 23 HG23 ILE 3 HG23 ILE 3 6.570 0.402 -4.138 24 HD11 ILE 3 HD11 ILE 3 9.688 -1.548 -4.637 25 HD12 ILE 3 HD12 ILE 3 9.615 0.147 -4.154 26 HD13 ILE 3 HD13 ILE 3 10.569 -0.999 -3.212 27 H THR 4 H THR 4 5.816 -3.988 -4.259 28 HA THR 4 HA THR 4 3.061 -3.301 -5.057 29 HB THR 4 HB THR 4 3.826 -4.933 -7.063 30 HG1 THR 4 HG1 THR 4 6.156 -3.400 -6.487 31 HG21 THR 4 HG21 THR 4 4.248 -1.950 -6.869 32 HG22 THR 4 HG22 THR 4 2.793 -2.787 -7.411 33 HG23 THR 4 HG23 THR 4 4.265 -2.861 -8.379 34 H SER 5 H SER 5 5.268 -5.772 -3.980 35 HA SER 5 HA SER 5 3.166 -7.398 -2.983 36 HB2 SER 5 HB2 SER 5 3.692 -7.831 -5.677 37 HB3 SER 5 HB3 SER 5 4.600 -9.104 -4.863 38 HG SER 5 HG SER 5 2.064 -9.127 -5.378 39 H GLN 6 H GLN 6 4.364 -9.822 -2.730 40 HA GLN 6 HA GLN 6 5.800 -10.913 -1.336 41 HB2 GLN 6 HB2 GLN 6 7.858 -9.103 -2.607 42 HB3 GLN 6 HB3 GLN 6 8.157 -10.656 -1.839 43 HG2 GLN 6 HG2 GLN 6 7.544 -11.818 -3.651 44 HG3 GLN 6 HG3 GLN 6 6.208 -10.731 -4.024 45 HE21 GLN 6 HE21 GLN 6 6.630 -10.545 -6.180 46 HE22 GLN 6 HE22 GLN 6 8.030 -9.755 -6.812 47 H MET 7 H MET 7 8.040 -10.251 0.054 48 HA MET 7 HA MET 7 7.666 -7.765 1.467 49 HB2 MET 7 HB2 MET 7 6.754 -10.365 2.581 50 HB3 MET 7 HB3 MET 7 7.596 -9.275 3.675 51 HG2 MET 7 HG2 MET 7 5.888 -7.528 2.669 52 HG3 MET 7 HG3 MET 7 4.951 -8.990 2.369 53 HE1 MET 7 HE1 MET 7 4.126 -6.627 3.786 54 HE2 MET 7 HE2 MET 7 3.397 -7.110 5.318 55 HE3 MET 7 HE3 MET 7 4.946 -6.265 5.305 56 H ASN 8 H ASN 8 9.204 -7.793 3.489 57 HA ASN 8 HA ASN 8 11.623 -9.344 2.908 58 HB2 ASN 8 HB2 ASN 8 11.541 -6.871 1.964 59 HB3 ASN 8 HB3 ASN 8 11.948 -6.463 3.628 60 HD21 ASN 8 HD21 ASN 8 13.458 -6.283 1.068 61 HD22 ASN 8 HD22 ASN 8 14.948 -7.102 1.374 62 H LYS 9 H LYS 9 11.870 -10.501 4.708 63 HA LYS 9 HA LYS 9 11.024 -9.571 7.282 64 HB2 LYS 9 HB2 LYS 9 10.976 -11.964 6.599 65 HB3 LYS 9 HB3 LYS 9 12.734 -11.968 6.596 66 HG2 LYS 9 HG2 LYS 9 12.190 -12.896 8.648 67 HG3 LYS 9 HG3 LYS 9 12.539 -11.211 9.041 68 HD2 LYS 9 HD2 LYS 9 10.574 -11.510 10.188 69 HD3 LYS 9 HD3 LYS 9 9.956 -10.921 8.643 70 HE2 LYS 9 HE2 LYS 9 10.324 -13.855 9.071 71 HE3 LYS 9 HE3 LYS 9 8.918 -13.044 9.760 72 HZ1 LYS 9 HZ1 LYS 9 9.389 -13.828 7.077 73 HZ2 LYS 9 HZ2 LYS 9 9.089 -12.166 7.154 74 HZ3 LYS 9 HZ3 LYS 9 7.964 -13.259 7.787 75 H THR 10 H THR 10 14.033 -9.671 5.519 76 HA THR 10 HA THR 10 15.867 -9.369 7.588 77 HB THR 10 HB THR 10 16.365 -7.798 5.118 78 HG1 THR 10 HG1 THR 10 15.808 -9.390 3.852 79 HG21 THR 10 HG21 THR 10 18.150 -8.140 6.722 80 HG22 THR 10 HG22 THR 10 18.516 -9.020 5.238 81 HG23 THR 10 HG23 THR 10 17.916 -9.886 6.652 82 H ILE 11 H ILE 11 14.148 -6.860 5.743 83 HA ILE 11 HA ILE 11 15.267 -4.619 6.938 84 HB ILE 11 HB ILE 11 12.409 -4.915 6.006 85 HG12 ILE 11 HG12 ILE 11 14.078 -5.564 4.293 86 HG13 ILE 11 HG13 ILE 11 13.199 -4.104 3.852 87 HG21 ILE 11 HG21 ILE 11 12.504 -2.492 5.665 88 HG22 ILE 11 HG22 ILE 11 12.760 -2.921 7.356 89 HG23 ILE 11 HG23 ILE 11 14.131 -2.463 6.345 90 HD11 ILE 11 HD11 ILE 11 15.065 -2.912 3.745 91 HD12 ILE 11 HD12 ILE 11 15.631 -3.512 5.304 92 HD13 ILE 11 HD13 ILE 11 15.932 -4.445 3.839 93 H ILE 12 H ILE 12 12.503 -6.574 7.975 94 HA ILE 12 HA ILE 12 11.691 -4.970 10.128 95 HB ILE 12 HB ILE 12 11.479 -7.977 9.956 96 HG12 ILE 12 HG12 ILE 12 9.612 -5.838 8.909 97 HG13 ILE 12 HG13 ILE 12 10.590 -6.925 7.929 98 HG21 ILE 12 HG21 ILE 12 10.997 -6.972 12.164 99 HG22 ILE 12 HG22 ILE 12 9.751 -5.980 11.409 100 HG23 ILE 12 HG23 ILE 12 9.587 -7.736 11.432 101 HD11 ILE 12 HD11 ILE 12 8.048 -7.398 9.320 102 HD12 ILE 12 HD12 ILE 12 8.686 -8.104 7.834 103 HD13 ILE 12 HD13 ILE 12 9.222 -8.712 9.400 104 H GLY 13 H GLY 13 13.920 -7.742 10.024 105 HA2 GLY 13 HA2 GLY 13 14.502 -7.991 12.709 106 HA3 GLY 13 HA3 GLY 13 15.651 -8.321 11.420 107 H VAL 14 H VAL 14 16.558 -6.180 10.424 108 HA VAL 14 HA VAL 14 18.211 -4.980 12.272 109 HB VAL 14 HB VAL 14 17.240 -3.750 9.689 110 HG11 VAL 14 HG11 VAL 14 19.282 -2.973 11.673 111 HG12 VAL 14 HG12 VAL 14 19.761 -2.868 9.978 112 HG13 VAL 14 HG13 VAL 14 18.349 -1.980 10.554 113 HG21 VAL 14 HG21 VAL 14 19.152 -5.910 10.307 114 HG22 VAL 14 HG22 VAL 14 18.199 -5.619 8.852 115 HG23 VAL 14 HG23 VAL 14 19.687 -4.714 9.127 116 H SER 15 H SER 15 15.076 -3.847 11.079 117 HA SER 15 HA SER 15 14.984 -1.333 12.205 118 HB2 SER 15 HB2 SER 15 13.248 -2.479 10.715 119 HB3 SER 15 HB3 SER 15 12.601 -3.186 12.195 120 HG SER 15 HG SER 15 12.259 -1.079 12.976 121 H VAL 16 H VAL 16 13.932 -4.388 13.703 122 HA VAL 16 HA VAL 16 13.207 -3.305 16.188 123 HB VAL 16 HB VAL 16 14.302 -6.085 15.783 124 HG11 VAL 16 HG11 VAL 16 13.466 -4.819 18.059 125 HG12 VAL 16 HG12 VAL 16 12.004 -5.656 17.537 126 HG13 VAL 16 HG13 VAL 16 13.490 -6.565 17.814 127 HG21 VAL 16 HG21 VAL 16 11.621 -6.392 15.590 128 HG22 VAL 16 HG22 VAL 16 11.834 -4.847 14.766 129 HG23 VAL 16 HG23 VAL 16 12.705 -6.273 14.204 130 H LEU 17 H LEU 17 16.283 -4.601 15.015 131 HA LEU 17 HA LEU 17 17.705 -4.609 17.405 132 HB2 LEU 17 HB2 LEU 17 18.625 -4.085 14.587 133 HB3 LEU 17 HB3 LEU 17 19.724 -4.296 15.948 134 HG LEU 17 HG LEU 17 17.740 -6.408 15.140 135 HD11 LEU 17 HD11 LEU 17 19.043 -7.165 13.490 136 HD12 LEU 17 HD12 LEU 17 20.528 -6.832 14.380 137 HD13 LEU 17 HD13 LEU 17 19.730 -5.541 13.482 138 HD21 LEU 17 HD21 LEU 17 20.296 -6.471 16.741 139 HD22 LEU 17 HD22 LEU 17 19.302 -7.872 16.340 140 HD23 LEU 17 HD23 LEU 17 18.657 -6.601 17.381 141 H SER 18 H SER 18 17.765 -2.057 14.909 142 HA SER 18 HA SER 18 19.249 -0.183 16.281 143 HB2 SER 18 HB2 SER 18 18.608 0.064 13.920 144 HB3 SER 18 HB3 SER 18 16.935 0.348 14.400 145 HG SER 18 HG SER 18 19.198 1.979 14.862 146 H VAL 19 H VAL 19 15.761 -0.759 16.426 147 HA VAL 19 HA VAL 19 14.978 1.400 17.972 148 HB VAL 19 HB VAL 19 13.912 -1.425 18.020 149 HG11 VAL 19 HG11 VAL 19 13.117 1.009 19.490 150 HG12 VAL 19 HG12 VAL 19 11.812 0.077 18.755 151 HG13 VAL 19 HG13 VAL 19 12.905 -0.691 19.907 152 HG21 VAL 19 HG21 VAL 19 12.884 -0.940 16.109 153 HG22 VAL 19 HG22 VAL 19 12.228 0.552 16.782 154 HG23 VAL 19 HG23 VAL 19 13.826 0.549 16.036 155 H LEU 20 H LEU 20 15.841 -1.854 19.158 156 HA LEU 20 HA LEU 20 15.783 -1.164 21.888 157 HB2 LEU 20 HB2 LEU 20 17.284 -3.371 20.486 158 HB3 LEU 20 HB3 LEU 20 17.048 -3.255 22.228 159 HG LEU 20 HG LEU 20 15.007 -3.847 20.103 160 HD11 LEU 20 HD11 LEU 20 15.966 -5.837 20.779 161 HD12 LEU 20 HD12 LEU 20 14.577 -5.706 21.857 162 HD13 LEU 20 HD13 LEU 20 16.187 -5.288 22.441 163 HD21 LEU 20 HD21 LEU 20 14.537 -3.052 22.973 164 HD22 LEU 20 HD22 LEU 20 13.328 -3.802 21.930 165 HD23 LEU 20 HD23 LEU 20 13.975 -2.211 21.528 166 H VAL 21 H VAL 21 18.359 -1.134 19.486 167 HA VAL 21 HA VAL 21 20.592 -0.812 21.060 168 HB VAL 21 HB VAL 21 19.953 0.515 18.425 169 HG11 VAL 21 HG11 VAL 21 22.605 0.480 18.406 170 HG12 VAL 21 HG12 VAL 21 21.693 1.842 19.059 171 HG13 VAL 21 HG13 VAL 21 22.367 0.629 20.147 172 HG21 VAL 21 HG21 VAL 21 20.439 -1.441 17.490 173 HG22 VAL 21 HG22 VAL 21 21.971 -1.528 18.359 174 HG23 VAL 21 HG23 VAL 21 20.499 -2.151 19.103 175 H VAL 22 H VAL 22 18.512 1.796 19.799 176 HA VAL 22 HA VAL 22 19.846 3.857 21.227 177 HB VAL 22 HB VAL 22 17.056 3.855 20.065 178 HG11 VAL 22 HG11 VAL 22 17.196 5.653 21.594 179 HG12 VAL 22 HG12 VAL 22 18.830 6.067 21.071 180 HG13 VAL 22 HG13 VAL 22 17.461 6.349 19.995 181 HG21 VAL 22 HG21 VAL 22 18.999 5.368 18.589 182 HG22 VAL 22 HG22 VAL 22 19.541 3.699 18.771 183 HG23 VAL 22 HG23 VAL 22 17.970 4.042 18.047 184 H SER 23 H SER 23 16.641 2.365 21.717 185 HA SER 23 HA SER 23 15.939 3.646 24.058 186 HB2 SER 23 HB2 SER 23 14.461 2.130 22.733 187 HB3 SER 23 HB3 SER 23 15.339 0.753 23.398 188 HG SER 23 HG SER 23 14.120 2.693 25.053 189 H VAL 24 H VAL 24 17.355 0.373 23.888 190 HA VAL 24 HA VAL 24 17.822 -0.030 26.564 191 HB VAL 24 HB VAL 24 19.545 -0.919 24.248 192 HG11 VAL 24 HG11 VAL 24 19.746 -2.786 26.292 193 HG12 VAL 24 HG12 VAL 24 20.987 -1.637 25.786 194 HG13 VAL 24 HG13 VAL 24 19.888 -1.228 27.105 195 HG21 VAL 24 HG21 VAL 24 17.728 -2.767 25.672 196 HG22 VAL 24 HG22 VAL 24 16.973 -1.552 24.640 197 HG23 VAL 24 HG23 VAL 24 18.146 -2.680 23.960 198 H VAL 25 H VAL 25 20.300 1.117 24.262 199 HA VAL 25 HA VAL 25 22.291 1.743 26.043 200 HB VAL 25 HB VAL 25 21.529 3.066 23.450 201 HG11 VAL 25 HG11 VAL 25 23.848 3.690 25.264 202 HG12 VAL 25 HG12 VAL 25 23.832 4.092 23.546 203 HG13 VAL 25 HG13 VAL 25 22.633 4.800 24.629 204 HG21 VAL 25 HG21 VAL 25 23.028 1.669 22.459 205 HG22 VAL 25 HG22 VAL 25 24.065 1.589 23.883 206 HG23 VAL 25 HG23 VAL 25 22.574 0.650 23.826 207 H ALA 26 H ALA 26 19.580 3.796 25.036 208 HA ALA 26 HA ALA 26 20.268 6.146 26.327 209 HB1 ALA 26 HB1 ALA 26 17.782 4.939 25.338 210 HB2 ALA 26 HB2 ALA 26 17.569 6.148 26.605 211 HB3 ALA 26 HB3 ALA 26 18.422 6.568 25.119 212 H VAL 27 H VAL 27 18.525 3.336 27.613 213 HA VAL 27 HA VAL 27 18.078 4.459 30.187 214 HB VAL 27 HB VAL 27 18.123 1.555 29.350 215 HG11 VAL 27 HG11 VAL 27 16.439 1.636 31.436 216 HG12 VAL 27 HG12 VAL 27 18.161 1.287 31.596 217 HG13 VAL 27 HG13 VAL 27 17.557 2.914 31.911 218 HG21 VAL 27 HG21 VAL 27 15.506 2.435 29.835 219 HG22 VAL 27 HG22 VAL 27 16.260 3.684 28.843 220 HG23 VAL 27 HG23 VAL 27 16.227 2.012 28.282 221 H LEU 28 H LEU 28 20.542 2.282 28.867 222 HA LEU 28 HA LEU 28 21.886 1.579 31.165 223 HB2 LEU 28 HB2 LEU 28 22.722 2.008 28.340 224 HB3 LEU 28 HB3 LEU 28 23.967 1.748 29.560 225 HG LEU 28 HG LEU 28 21.707 -0.193 29.323 226 HD11 LEU 28 HD11 LEU 28 23.367 -1.467 27.792 227 HD12 LEU 28 HD12 LEU 28 23.997 0.140 27.432 228 HD13 LEU 28 HD13 LEU 28 22.309 -0.241 27.094 229 HD21 LEU 28 HD21 LEU 28 23.165 -0.474 31.198 230 HD22 LEU 28 HD22 LEU 28 24.595 -0.348 30.173 231 HD23 LEU 28 HD23 LEU 28 23.527 -1.745 30.030 232 H VAL 29 H VAL 29 22.611 4.385 29.085 233 HA VAL 29 HA VAL 29 24.562 5.490 30.797 234 HB VAL 29 HB VAL 29 22.854 7.055 28.868 235 HG11 VAL 29 HG11 VAL 29 24.844 8.458 28.664 236 HG12 VAL 29 HG12 VAL 29 24.290 8.376 30.338 237 HG13 VAL 29 HG13 VAL 29 25.690 7.434 29.824 238 HG21 VAL 29 HG21 VAL 29 24.896 6.529 27.325 239 HG22 VAL 29 HG22 VAL 29 25.069 5.117 28.367 240 HG23 VAL 29 HG23 VAL 29 23.574 5.371 27.468 241 H TYR 30 H TYR 30 21.079 5.975 30.528 242 HA TYR 30 HA TYR 30 20.729 8.207 32.106 243 HB2 TYR 30 HB2 TYR 30 19.071 6.299 30.955 244 HB3 TYR 30 HB3 TYR 30 18.725 6.171 32.676 245 HD1 TYR 30 HD1 TYR 30 17.222 7.649 33.655 246 HD2 TYR 30 HD2 TYR 30 19.028 8.695 29.948 247 HE1 TYR 30 HE1 TYR 30 15.771 9.630 33.514 248 HE2 TYR 30 HE2 TYR 30 17.583 10.680 29.797 249 HH TYR 30 HH TYR 30 16.306 12.175 31.699 250 H LYS 31 H LYS 31 21.076 4.833 33.125 251 HA LYS 31 HA LYS 31 20.928 5.569 35.929 252 HB2 LYS 31 HB2 LYS 31 21.656 2.855 34.845 253 HB3 LYS 31 HB3 LYS 31 20.939 3.251 36.401 254 HG2 LYS 31 HG2 LYS 31 18.845 3.764 35.397 255 HG3 LYS 31 HG3 LYS 31 19.535 3.675 33.775 256 HD2 LYS 31 HD2 LYS 31 18.625 1.597 33.854 257 HD3 LYS 31 HD3 LYS 31 20.163 1.223 34.635 258 HE2 LYS 31 HE2 LYS 31 19.173 0.760 36.583 259 HE3 LYS 31 HE3 LYS 31 18.166 2.205 36.506 260 HZ1 LYS 31 HZ1 LYS 31 17.628 -0.444 35.295 261 HZ2 LYS 31 HZ2 LYS 31 16.756 0.945 34.880 262 HZ3 LYS 31 HZ3 LYS 31 16.717 0.365 36.469 263 H PHE 32 H PHE 32 23.323 4.013 33.793 264 HA PHE 32 HA PHE 32 25.433 3.830 35.551 265 HB2 PHE 32 HB2 PHE 32 25.273 4.199 32.584 266 HB3 PHE 32 HB3 PHE 32 26.844 4.255 33.376 267 HD1 PHE 32 HD1 PHE 32 28.004 2.301 33.122 268 HD2 PHE 32 HD2 PHE 32 23.796 2.128 33.743 269 HE1 PHE 32 HE1 PHE 32 28.104 -0.157 33.096 270 HE2 PHE 32 HE2 PHE 32 23.890 -0.330 33.720 271 HZ PHE 32 HZ PHE 32 26.046 -1.476 33.396 272 H TYR 33 H TYR 33 24.071 6.652 34.116 273 HA TYR 33 HA TYR 33 26.329 8.277 35.076 274 HB2 TYR 33 HB2 TYR 33 25.556 8.382 32.618 275 HB3 TYR 33 HB3 TYR 33 24.163 9.264 33.233 276 HD1 TYR 33 HD1 TYR 33 24.889 11.228 34.955 277 HD2 TYR 33 HD2 TYR 33 27.290 9.660 31.812 278 HE1 TYR 33 HE1 TYR 33 26.187 13.317 34.913 279 HE2 TYR 33 HE2 TYR 33 28.596 11.743 31.763 280 HH TYR 33 HH TYR 33 29.114 13.634 33.528 281 H PHE 34 H PHE 34 22.774 8.319 34.843 282 HA PHE 34 HA PHE 34 22.725 9.982 37.274 283 HB2 PHE 34 HB2 PHE 34 20.538 9.747 35.202 284 HB3 PHE 34 HB3 PHE 34 20.623 10.894 36.536 285 HD1 PHE 34 HD1 PHE 34 22.055 9.974 33.274 286 HD2 PHE 34 HD2 PHE 34 21.888 12.896 36.364 287 HE1 PHE 34 HE1 PHE 34 23.190 11.588 31.804 288 HE2 PHE 34 HE2 PHE 34 23.022 14.515 34.899 289 HZ PHE 34 HZ PHE 34 23.673 13.862 32.615 290 H HIS 35 H HIS 35 23.072 7.387 37.780 291 HA HIS 35 HA HIS 35 20.958 5.641 37.878 292 HB2 HIS 35 HB2 HIS 35 23.091 4.877 38.599 293 HB3 HIS 35 HB3 HIS 35 23.188 6.109 39.854 294 HD1 HIS 35 HD1 HIS 35 20.482 3.526 39.137 295 HD2 HIS 35 HD2 HIS 35 23.020 4.759 42.187 296 HE1 HIS 35 HE1 HIS 35 19.873 2.117 41.129 Start of MODEL 5 1 H1 MET 1 H MET 1 3.885 -6.711 -14.766 2 HA MET 1 HA MET 1 1.934 -8.807 -14.420 3 HB2 MET 1 HB2 MET 1 4.870 -9.413 -14.685 4 HB3 MET 1 HB3 MET 1 3.790 -10.463 -13.778 5 HG2 MET 1 HG2 MET 1 2.417 -10.760 -15.793 6 HG3 MET 1 HG3 MET 1 3.551 -9.754 -16.692 7 HE1 MET 1 HE1 MET 1 2.901 -12.731 -14.621 8 HE2 MET 1 HE2 MET 1 3.861 -14.028 -15.332 9 HE3 MET 1 HE3 MET 1 4.566 -12.982 -14.098 10 H ASN 2 H ASN 2 2.051 -9.758 -12.216 11 HA ASN 2 HA ASN 2 2.124 -7.812 -10.248 12 HB2 ASN 2 HB2 ASN 2 1.853 -9.577 -8.651 13 HB3 ASN 2 HB3 ASN 2 0.988 -10.056 -10.109 14 HD21 ASN 2 HD21 ASN 2 2.511 -11.416 -7.777 15 HD22 ASN 2 HD22 ASN 2 3.428 -12.638 -8.585 16 H ILE 3 H ILE 3 3.701 -6.837 -9.163 17 HA ILE 3 HA ILE 3 6.436 -7.819 -9.478 18 HB ILE 3 HB ILE 3 5.615 -5.220 -8.197 19 HG12 ILE 3 HG12 ILE 3 6.179 -5.765 -11.120 20 HG13 ILE 3 HG13 ILE 3 4.621 -5.316 -10.435 21 HG21 ILE 3 HG21 ILE 3 7.797 -4.747 -8.104 22 HG22 ILE 3 HG22 ILE 3 8.048 -6.472 -8.365 23 HG23 ILE 3 HG23 ILE 3 8.090 -5.359 -9.731 24 HD11 ILE 3 HD11 ILE 3 7.076 -3.645 -10.775 25 HD12 ILE 3 HD12 ILE 3 5.431 -3.339 -11.333 26 HD13 ILE 3 HD13 ILE 3 5.820 -3.203 -9.619 27 H THR 4 H THR 4 4.588 -9.161 -7.684 28 HA THR 4 HA THR 4 4.331 -9.805 -5.486 29 HB THR 4 HB THR 4 6.330 -11.029 -6.193 30 HG1 THR 4 HG1 THR 4 6.867 -11.600 -4.157 31 HG21 THR 4 HG21 THR 4 8.571 -10.170 -5.556 32 HG22 THR 4 HG22 THR 4 7.825 -8.630 -5.131 33 HG23 THR 4 HG23 THR 4 7.785 -9.198 -6.800 34 H SER 5 H SER 5 4.003 -7.045 -5.659 35 HA SER 5 HA SER 5 5.598 -5.484 -4.002 36 HB2 SER 5 HB2 SER 5 2.634 -5.318 -4.578 37 HB3 SER 5 HB3 SER 5 3.528 -4.076 -3.702 38 HG SER 5 HG SER 5 3.713 -3.364 -5.711 39 H GLN 6 H GLN 6 6.198 -6.084 -2.016 40 HA GLN 6 HA GLN 6 4.088 -6.654 -0.064 41 HB2 GLN 6 HB2 GLN 6 5.442 -8.436 0.946 42 HB3 GLN 6 HB3 GLN 6 5.002 -8.820 -0.713 43 HG2 GLN 6 HG2 GLN 6 7.154 -8.550 -1.491 44 HG3 GLN 6 HG3 GLN 6 7.625 -7.523 -0.137 45 HE21 GLN 6 HE21 GLN 6 8.623 -10.135 -1.361 46 HE22 GLN 6 HE22 GLN 6 8.840 -11.167 0.007 47 H MET 7 H MET 7 5.469 -6.931 2.203 48 HA MET 7 HA MET 7 6.737 -4.314 2.495 49 HB2 MET 7 HB2 MET 7 5.354 -6.204 4.343 50 HB3 MET 7 HB3 MET 7 6.550 -5.106 5.018 51 HG2 MET 7 HG2 MET 7 4.651 -3.871 5.271 52 HG3 MET 7 HG3 MET 7 5.202 -3.301 3.697 53 HE1 MET 7 HE1 MET 7 1.496 -5.138 5.048 54 HE2 MET 7 HE2 MET 7 2.452 -6.570 4.668 55 HE3 MET 7 HE3 MET 7 3.086 -5.355 5.779 56 H ASN 8 H ASN 8 8.668 -4.085 3.802 57 HA ASN 8 HA ASN 8 10.521 -6.302 3.338 58 HB2 ASN 8 HB2 ASN 8 10.860 -3.743 2.702 59 HB3 ASN 8 HB3 ASN 8 11.446 -3.656 4.360 60 HD21 ASN 8 HD21 ASN 8 12.904 -5.700 4.850 61 HD22 ASN 8 HD22 ASN 8 14.174 -5.934 3.703 62 H LYS 9 H LYS 9 10.759 -7.680 4.964 63 HA LYS 9 HA LYS 9 10.169 -6.963 7.682 64 HB2 LYS 9 HB2 LYS 9 9.700 -9.216 6.733 65 HB3 LYS 9 HB3 LYS 9 11.433 -9.492 6.609 66 HG2 LYS 9 HG2 LYS 9 10.771 -10.583 8.570 67 HG3 LYS 9 HG3 LYS 9 11.527 -9.082 9.112 68 HD2 LYS 9 HD2 LYS 9 9.470 -8.105 9.649 69 HD3 LYS 9 HD3 LYS 9 8.563 -9.268 8.679 70 HE2 LYS 9 HE2 LYS 9 9.626 -10.985 10.375 71 HE3 LYS 9 HE3 LYS 9 9.735 -9.557 11.402 72 HZ1 LYS 9 HZ1 LYS 9 7.350 -9.217 11.087 73 HZ2 LYS 9 HZ2 LYS 9 7.673 -10.721 11.790 74 HZ3 LYS 9 HZ3 LYS 9 7.261 -10.624 10.153 75 H THR 10 H THR 10 13.045 -7.377 5.733 76 HA THR 10 HA THR 10 14.993 -7.598 7.697 77 HB THR 10 HB THR 10 15.624 -5.851 5.378 78 HG1 THR 10 HG1 THR 10 14.577 -8.464 5.184 79 HG21 THR 10 HG21 THR 10 17.558 -7.392 5.237 80 HG22 THR 10 HG22 THR 10 16.896 -8.306 6.593 81 HG23 THR 10 HG23 THR 10 17.405 -6.633 6.821 82 H ILE 11 H ILE 11 13.668 -4.638 6.228 83 HA ILE 11 HA ILE 11 15.194 -2.785 7.637 84 HB ILE 11 HB ILE 11 12.329 -2.444 6.743 85 HG12 ILE 11 HG12 ILE 11 13.836 -3.200 4.927 86 HG13 ILE 11 HG13 ILE 11 13.247 -1.562 4.669 87 HG21 ILE 11 HG21 ILE 11 12.632 -0.557 7.965 88 HG22 ILE 11 HG22 ILE 11 14.388 -0.606 7.811 89 HG23 ILE 11 HG23 ILE 11 13.401 -0.017 6.473 90 HD11 ILE 11 HD11 ILE 11 15.754 -1.601 6.114 91 HD12 ILE 11 HD12 ILE 11 15.865 -2.404 4.548 92 HD13 ILE 11 HD13 ILE 11 15.304 -0.736 4.645 93 H ILE 12 H ILE 12 12.084 -4.265 8.482 94 HA ILE 12 HA ILE 12 11.591 -2.817 10.825 95 HB ILE 12 HB ILE 12 10.812 -5.673 10.223 96 HG12 ILE 12 HG12 ILE 12 10.035 -4.143 8.489 97 HG13 ILE 12 HG13 ILE 12 8.676 -4.681 9.471 98 HG21 ILE 12 HG21 ILE 12 9.709 -3.693 12.211 99 HG22 ILE 12 HG22 ILE 12 8.979 -5.251 11.824 100 HG23 ILE 12 HG23 ILE 12 10.574 -5.186 12.575 101 HD11 ILE 12 HD11 ILE 12 8.371 -2.377 9.092 102 HD12 ILE 12 HD12 ILE 12 8.918 -2.533 10.761 103 HD13 ILE 12 HD13 ILE 12 10.044 -2.011 9.509 104 H GLY 13 H GLY 13 13.307 -5.892 10.341 105 HA2 GLY 13 HA2 GLY 13 13.806 -6.590 12.965 106 HA3 GLY 13 HA3 GLY 13 14.895 -6.937 11.630 107 H VAL 14 H VAL 14 16.163 -4.869 10.913 108 HA VAL 14 HA VAL 14 17.977 -4.220 12.881 109 HB VAL 14 HB VAL 14 17.267 -2.452 10.537 110 HG11 VAL 14 HG11 VAL 14 19.451 -2.486 12.521 111 HG12 VAL 14 HG12 VAL 14 19.927 -2.216 10.844 112 HG13 VAL 14 HG13 VAL 14 18.760 -1.141 11.614 113 HG21 VAL 14 HG21 VAL 14 18.750 -5.019 10.728 114 HG22 VAL 14 HG22 VAL 14 17.723 -4.400 9.435 115 HG23 VAL 14 HG23 VAL 14 19.365 -3.785 9.628 116 H SER 15 H SER 15 15.103 -2.406 11.877 117 HA SER 15 HA SER 15 15.429 -0.096 13.343 118 HB2 SER 15 HB2 SER 15 13.498 -0.912 11.733 119 HB3 SER 15 HB3 SER 15 12.713 -1.347 13.251 120 HG SER 15 HG SER 15 13.806 1.219 12.761 121 H VAL 16 H VAL 16 13.936 -3.142 14.408 122 HA VAL 16 HA VAL 16 13.314 -2.298 17.021 123 HB VAL 16 HB VAL 16 13.973 -5.133 16.236 124 HG11 VAL 16 HG11 VAL 16 12.989 -5.769 18.156 125 HG12 VAL 16 HG12 VAL 16 13.342 -4.118 18.669 126 HG13 VAL 16 HG13 VAL 16 11.742 -4.527 18.049 127 HG21 VAL 16 HG21 VAL 16 11.794 -3.396 15.343 128 HG22 VAL 16 HG22 VAL 16 12.382 -4.917 14.670 129 HG23 VAL 16 HG23 VAL 16 11.256 -4.930 16.028 130 H LEU 17 H LEU 17 16.153 -3.954 15.694 131 HA LEU 17 HA LEU 17 17.499 -4.417 18.099 132 HB2 LEU 17 HB2 LEU 17 18.503 -3.957 15.302 133 HB3 LEU 17 HB3 LEU 17 19.569 -4.375 16.642 134 HG LEU 17 HG LEU 17 17.253 -6.151 16.013 135 HD11 LEU 17 HD11 LEU 17 19.213 -7.354 14.628 136 HD12 LEU 17 HD12 LEU 17 19.600 -5.667 14.295 137 HD13 LEU 17 HD13 LEU 17 18.005 -6.301 13.892 138 HD21 LEU 17 HD21 LEU 17 18.750 -6.411 18.026 139 HD22 LEU 17 HD22 LEU 17 20.052 -6.808 16.903 140 HD23 LEU 17 HD23 LEU 17 18.614 -7.827 16.984 141 H SER 18 H SER 18 17.385 -1.578 16.022 142 HA SER 18 HA SER 18 19.425 -0.149 17.420 143 HB2 SER 18 HB2 SER 18 18.415 0.192 14.996 144 HB3 SER 18 HB3 SER 18 17.319 1.278 15.850 145 HG SER 18 HG SER 18 19.708 1.847 15.016 146 H VAL 19 H VAL 19 15.966 -0.480 17.736 147 HA VAL 19 HA VAL 19 15.506 1.770 19.391 148 HB VAL 19 HB VAL 19 13.955 -0.814 19.183 149 HG11 VAL 19 HG11 VAL 19 13.519 1.674 20.743 150 HG12 VAL 19 HG12 VAL 19 12.114 0.913 19.993 151 HG13 VAL 19 HG13 VAL 19 13.107 0.004 21.134 152 HG21 VAL 19 HG21 VAL 19 13.099 -0.033 17.286 153 HG22 VAL 19 HG22 VAL 19 12.690 1.504 18.048 154 HG23 VAL 19 HG23 VAL 19 14.287 1.270 17.340 155 H LEU 20 H LEU 20 15.872 -1.685 20.194 156 HA LEU 20 HA LEU 20 15.796 -1.355 22.982 157 HB2 LEU 20 HB2 LEU 20 16.965 -3.587 23.011 158 HB3 LEU 20 HB3 LEU 20 15.436 -3.519 22.137 159 HG LEU 20 HG LEU 20 17.245 -3.056 20.142 160 HD11 LEU 20 HD11 LEU 20 19.175 -4.245 20.388 161 HD12 LEU 20 HD12 LEU 20 18.482 -5.341 21.583 162 HD13 LEU 20 HD13 LEU 20 18.948 -3.706 22.052 163 HD21 LEU 20 HD21 LEU 20 15.449 -4.532 19.819 164 HD22 LEU 20 HD22 LEU 20 15.954 -5.575 21.149 165 HD23 LEU 20 HD23 LEU 20 16.893 -5.532 19.656 166 H VAL 21 H VAL 21 18.566 -1.653 20.767 167 HA VAL 21 HA VAL 21 20.645 -1.551 22.559 168 HB VAL 21 HB VAL 21 20.413 -0.396 19.790 169 HG11 VAL 21 HG11 VAL 21 22.630 -0.151 21.751 170 HG12 VAL 21 HG12 VAL 21 23.046 -0.471 20.066 171 HG13 VAL 21 HG13 VAL 21 22.108 0.962 20.487 172 HG21 VAL 21 HG21 VAL 21 21.076 -2.407 19.080 173 HG22 VAL 21 HG22 VAL 21 22.343 -2.516 20.303 174 HG23 VAL 21 HG23 VAL 21 20.689 -2.979 20.703 175 H VAL 22 H VAL 22 19.293 1.294 20.876 176 HA VAL 22 HA VAL 22 20.683 3.261 22.216 177 HB VAL 22 HB VAL 22 17.839 3.383 21.205 178 HG11 VAL 22 HG11 VAL 22 18.882 5.913 21.017 179 HG12 VAL 22 HG12 VAL 22 17.771 5.350 22.267 180 HG13 VAL 22 HG13 VAL 22 19.510 5.350 22.565 181 HG21 VAL 22 HG21 VAL 22 20.009 4.699 19.726 182 HG22 VAL 22 HG22 VAL 22 20.090 2.937 19.755 183 HG23 VAL 22 HG23 VAL 22 18.648 3.744 19.136 184 H SER 23 H SER 23 17.456 1.996 23.053 185 HA SER 23 HA SER 23 16.987 3.486 25.328 186 HB2 SER 23 HB2 SER 23 15.457 1.785 24.134 187 HB3 SER 23 HB3 SER 23 16.220 0.577 25.167 188 HG SER 23 HG SER 23 15.603 2.129 26.930 189 H VAL 24 H VAL 24 18.560 0.298 25.127 190 HA VAL 24 HA VAL 24 19.094 -0.114 27.803 191 HB VAL 24 HB VAL 24 20.858 -0.849 25.462 192 HG11 VAL 24 HG11 VAL 24 22.307 -1.442 27.064 193 HG12 VAL 24 HG12 VAL 24 21.094 -1.313 28.339 194 HG13 VAL 24 HG13 VAL 24 21.200 -2.781 27.366 195 HG21 VAL 24 HG21 VAL 24 19.358 -3.013 26.601 196 HG22 VAL 24 HG22 VAL 24 18.269 -1.705 26.137 197 HG23 VAL 24 HG23 VAL 24 19.361 -2.409 24.944 198 H VAL 25 H VAL 25 21.221 1.470 25.420 199 HA VAL 25 HA VAL 25 23.337 2.117 27.061 200 HB VAL 25 HB VAL 25 22.196 3.782 24.812 201 HG11 VAL 25 HG11 VAL 25 23.650 5.154 26.139 202 HG12 VAL 25 HG12 VAL 25 24.880 3.890 26.182 203 HG13 VAL 25 HG13 VAL 25 24.502 4.703 24.663 204 HG21 VAL 25 HG21 VAL 25 24.639 2.182 24.433 205 HG22 VAL 25 HG22 VAL 25 23.148 1.261 24.628 206 HG23 VAL 25 HG23 VAL 25 23.282 2.460 23.341 207 H ALA 26 H ALA 26 20.504 4.168 26.361 208 HA ALA 26 HA ALA 26 21.101 6.322 27.969 209 HB1 ALA 26 HB1 ALA 26 18.298 5.752 28.177 210 HB2 ALA 26 HB2 ALA 26 19.117 7.009 27.250 211 HB3 ALA 26 HB3 ALA 26 18.864 5.415 26.540 212 H VAL 27 H VAL 27 19.567 3.267 28.884 213 HA VAL 27 HA VAL 27 19.056 4.016 31.581 214 HB VAL 27 HB VAL 27 19.302 1.254 30.382 215 HG11 VAL 27 HG11 VAL 27 18.298 2.228 33.041 216 HG12 VAL 27 HG12 VAL 27 17.823 0.668 32.366 217 HG13 VAL 27 HG13 VAL 27 19.521 1.002 32.712 218 HG21 VAL 27 HG21 VAL 27 17.438 1.854 29.298 219 HG22 VAL 27 HG22 VAL 27 16.645 1.724 30.868 220 HG23 VAL 27 HG23 VAL 27 17.212 3.292 30.294 221 H LEU 28 H LEU 28 21.634 2.153 30.009 222 HA LEU 28 HA LEU 28 23.047 1.297 32.211 223 HB2 LEU 28 HB2 LEU 28 23.864 2.107 29.455 224 HB3 LEU 28 HB3 LEU 28 25.096 1.696 30.646 225 HG LEU 28 HG LEU 28 22.875 -0.231 30.141 226 HD11 LEU 28 HD11 LEU 28 25.126 0.403 28.277 227 HD12 LEU 28 HD12 LEU 28 23.433 0.073 27.915 228 HD13 LEU 28 HD13 LEU 28 24.501 -1.241 28.405 229 HD21 LEU 28 HD21 LEU 28 24.218 -1.695 31.191 230 HD22 LEU 28 HD22 LEU 28 25.011 -0.246 31.809 231 HD23 LEU 28 HD23 LEU 28 25.674 -1.084 30.406 232 H VAL 29 H VAL 29 23.519 4.362 30.453 233 HA VAL 29 HA VAL 29 25.457 5.394 32.230 234 HB VAL 29 HB VAL 29 23.589 7.046 30.534 235 HG11 VAL 29 HG11 VAL 29 24.955 8.317 32.083 236 HG12 VAL 29 HG12 VAL 29 26.409 7.502 31.505 237 HG13 VAL 29 HG13 VAL 29 25.512 8.576 30.431 238 HG21 VAL 29 HG21 VAL 29 25.366 6.846 28.778 239 HG22 VAL 29 HG22 VAL 29 26.078 5.546 29.735 240 HG23 VAL 29 HG23 VAL 29 24.452 5.367 29.076 241 H TYR 30 H TYR 30 21.942 5.676 32.096 242 HA TYR 30 HA TYR 30 21.511 7.681 33.942 243 HB2 TYR 30 HB2 TYR 30 19.931 5.835 32.591 244 HB3 TYR 30 HB3 TYR 30 19.631 5.485 34.289 245 HD1 TYR 30 HD1 TYR 30 20.124 8.617 32.298 246 HD2 TYR 30 HD2 TYR 30 17.692 6.464 35.046 247 HE1 TYR 30 HE1 TYR 30 18.574 10.523 32.410 248 HE2 TYR 30 HE2 TYR 30 16.134 8.364 35.165 249 HH TYR 30 HH TYR 30 16.460 11.143 33.055 250 H LYS 31 H LYS 31 22.091 4.239 34.520 251 HA LYS 31 HA LYS 31 21.948 4.598 37.396 252 HB2 LYS 31 HB2 LYS 31 22.844 2.106 35.962 253 HB3 LYS 31 HB3 LYS 31 22.135 2.245 37.565 254 HG2 LYS 31 HG2 LYS 31 19.989 2.733 36.659 255 HG3 LYS 31 HG3 LYS 31 20.651 2.895 35.031 256 HD2 LYS 31 HD2 LYS 31 20.507 0.699 34.668 257 HD3 LYS 31 HD3 LYS 31 21.311 0.329 36.196 258 HE2 LYS 31 HE2 LYS 31 19.030 -0.609 36.054 259 HE3 LYS 31 HE3 LYS 31 19.225 0.523 37.391 260 HZ1 LYS 31 HZ1 LYS 31 17.318 0.604 35.393 261 HZ2 LYS 31 HZ2 LYS 31 18.370 1.887 35.063 262 HZ3 LYS 31 HZ3 LYS 31 17.613 1.780 36.573 263 H PHE 32 H PHE 32 24.406 3.507 35.055 264 HA PHE 32 HA PHE 32 26.556 3.263 36.762 265 HB2 PHE 32 HB2 PHE 32 26.318 3.969 33.861 266 HB3 PHE 32 HB3 PHE 32 27.895 4.039 34.640 267 HD1 PHE 32 HD1 PHE 32 25.007 1.676 34.794 268 HD2 PHE 32 HD2 PHE 32 29.177 2.215 34.127 269 HE1 PHE 32 HE1 PHE 32 25.266 -0.750 34.475 270 HE2 PHE 32 HE2 PHE 32 29.442 -0.210 33.807 271 HZ PHE 32 HZ PHE 32 27.485 -1.696 33.980 272 H TYR 33 H TYR 33 24.971 6.128 35.686 273 HA TYR 33 HA TYR 33 27.127 7.789 36.806 274 HB2 TYR 33 HB2 TYR 33 26.290 8.124 34.387 275 HB3 TYR 33 HB3 TYR 33 24.858 8.832 35.127 276 HD1 TYR 33 HD1 TYR 33 25.466 10.644 37.028 277 HD2 TYR 33 HD2 TYR 33 27.949 9.582 33.740 278 HE1 TYR 33 HE1 TYR 33 26.624 12.805 37.213 279 HE2 TYR 33 HE2 TYR 33 29.115 11.741 33.917 280 HH TYR 33 HH TYR 33 28.243 14.217 35.016 281 H PHE 34 H PHE 34 23.570 7.670 36.593 282 HA PHE 34 HA PHE 34 23.455 9.018 39.207 283 HB2 PHE 34 HB2 PHE 34 21.253 8.824 37.144 284 HB3 PHE 34 HB3 PHE 34 21.253 9.807 38.604 285 HD1 PHE 34 HD1 PHE 34 22.757 9.405 35.265 286 HD2 PHE 34 HD2 PHE 34 22.288 11.935 38.656 287 HE1 PHE 34 HE1 PHE 34 23.719 11.280 33.995 288 HE2 PHE 34 HE2 PHE 34 23.249 13.814 37.391 289 HZ PHE 34 HZ PHE 34 23.965 13.488 35.057 290 H HIS 35 H HIS 35 24.019 6.392 39.368 291 HA HIS 35 HA HIS 35 22.016 4.512 39.347 292 HB2 HIS 35 HB2 HIS 35 24.596 4.522 40.181 293 HB3 HIS 35 HB3 HIS 35 23.764 4.421 41.729 294 HD1 HIS 35 HD1 HIS 35 24.574 2.460 38.690 295 HD2 HIS 35 HD2 HIS 35 22.268 2.039 42.121 296 HE1 HIS 35 HE1 HIS 35 23.978 0.019 38.805 Start of MODEL 6 1 H1 MET 1 H MET 1 11.918 -0.097 4.556 2 HA MET 1 HA MET 1 9.845 1.986 4.635 3 HB2 MET 1 HB2 MET 1 12.334 1.643 2.986 4 HB3 MET 1 HB3 MET 1 11.044 2.717 2.462 5 HG2 MET 1 HG2 MET 1 12.068 3.016 5.230 6 HG3 MET 1 HG3 MET 1 13.083 3.570 3.900 7 HE1 MET 1 HE1 MET 1 11.554 5.681 6.306 8 HE2 MET 1 HE2 MET 1 13.007 5.670 5.306 9 HE3 MET 1 HE3 MET 1 11.797 6.937 5.091 10 H ASN 2 H ASN 2 9.330 -0.876 4.255 11 HA ASN 2 HA ASN 2 8.705 -1.236 1.467 12 HB2 ASN 2 HB2 ASN 2 8.227 -2.864 3.953 13 HB3 ASN 2 HB3 ASN 2 7.493 -3.311 2.416 14 HD21 ASN 2 HD21 ASN 2 9.721 -4.380 4.247 15 HD22 ASN 2 HD22 ASN 2 10.995 -4.750 3.139 16 H ILE 3 H ILE 3 7.475 0.976 1.804 17 HA ILE 3 HA ILE 3 5.017 1.173 3.027 18 HB ILE 3 HB ILE 3 5.784 2.336 0.347 19 HG12 ILE 3 HG12 ILE 3 5.923 3.624 3.077 20 HG13 ILE 3 HG13 ILE 3 7.300 2.849 2.302 21 HG21 ILE 3 HG21 ILE 3 3.379 2.546 1.991 22 HG22 ILE 3 HG22 ILE 3 4.076 4.104 1.549 23 HG23 ILE 3 HG23 ILE 3 3.632 2.948 0.293 24 HD11 ILE 3 HD11 ILE 3 6.850 4.453 0.357 25 HD12 ILE 3 HD12 ILE 3 5.859 5.345 1.512 26 HD13 ILE 3 HD13 ILE 3 7.576 5.101 1.828 27 H THR 4 H THR 4 5.576 0.213 -0.364 28 HA THR 4 HA THR 4 2.989 -1.200 -0.285 29 HB THR 4 HB THR 4 3.413 -0.930 -2.939 30 HG1 THR 4 HG1 THR 4 4.447 0.923 -3.399 31 HG21 THR 4 HG21 THR 4 1.346 -0.351 -1.843 32 HG22 THR 4 HG22 THR 4 1.862 1.015 -2.831 33 HG23 THR 4 HG23 THR 4 2.094 1.053 -1.084 34 H SER 5 H SER 5 6.372 -1.413 -0.909 35 HA SER 5 HA SER 5 6.409 -3.734 -2.513 36 HB2 SER 5 HB2 SER 5 8.541 -2.888 -0.542 37 HB3 SER 5 HB3 SER 5 8.752 -3.874 -1.988 38 HG SER 5 HG SER 5 8.940 -2.110 -3.097 39 H GLN 6 H GLN 6 7.257 -5.866 -1.812 40 HA GLN 6 HA GLN 6 5.706 -6.832 0.414 41 HB2 GLN 6 HB2 GLN 6 6.483 -9.048 -0.277 42 HB3 GLN 6 HB3 GLN 6 5.859 -8.139 -1.647 43 HG2 GLN 6 HG2 GLN 6 8.255 -7.517 -2.156 44 HG3 GLN 6 HG3 GLN 6 8.721 -8.730 -0.965 45 HE21 GLN 6 HE21 GLN 6 8.614 -8.305 -4.099 46 HE22 GLN 6 HE22 GLN 6 8.189 -9.885 -4.651 47 H MET 7 H MET 7 6.728 -8.397 1.983 48 HA MET 7 HA MET 7 9.258 -7.251 2.955 49 HB2 MET 7 HB2 MET 7 6.891 -8.440 4.370 50 HB3 MET 7 HB3 MET 7 8.462 -8.371 5.158 51 HG2 MET 7 HG2 MET 7 7.509 -6.434 5.904 52 HG3 MET 7 HG3 MET 7 8.376 -5.858 4.483 53 HE1 MET 7 HE1 MET 7 4.110 -7.246 4.330 54 HE2 MET 7 HE2 MET 7 5.329 -7.636 5.544 55 HE3 MET 7 HE3 MET 7 4.301 -6.217 5.750 56 H ASN 8 H ASN 8 10.617 -8.803 4.247 57 HA ASN 8 HA ASN 8 10.413 -11.577 3.351 58 HB2 ASN 8 HB2 ASN 8 11.903 -10.140 1.791 59 HB3 ASN 8 HB3 ASN 8 13.055 -10.156 3.123 60 HD21 ASN 8 HD21 ASN 8 14.617 -11.443 2.387 61 HD22 ASN 8 HD22 ASN 8 14.395 -13.074 1.862 62 H LYS 9 H LYS 9 11.956 -13.003 4.507 63 HA LYS 9 HA LYS 9 11.785 -12.683 7.270 64 HB2 LYS 9 HB2 LYS 9 12.261 -14.796 5.816 65 HB3 LYS 9 HB3 LYS 9 13.948 -14.348 6.025 66 HG2 LYS 9 HG2 LYS 9 12.217 -14.528 8.436 67 HG3 LYS 9 HG3 LYS 9 12.764 -16.019 7.665 68 HD2 LYS 9 HD2 LYS 9 14.777 -13.894 8.184 69 HD3 LYS 9 HD3 LYS 9 14.177 -14.822 9.561 70 HE2 LYS 9 HE2 LYS 9 14.752 -16.903 8.303 71 HE3 LYS 9 HE3 LYS 9 15.509 -15.889 7.076 72 HZ1 LYS 9 HZ1 LYS 9 17.220 -15.330 8.460 73 HZ2 LYS 9 HZ2 LYS 9 16.905 -16.896 9.015 74 HZ3 LYS 9 HZ3 LYS 9 16.323 -15.561 9.876 75 H THR 10 H THR 10 14.415 -11.927 5.041 76 HA THR 10 HA THR 10 16.431 -11.372 6.878 77 HB THR 10 HB THR 10 16.249 -9.589 4.511 78 HG1 THR 10 HG1 THR 10 16.831 -11.419 3.163 79 HG21 THR 10 HG21 THR 10 18.278 -9.638 5.825 80 HG22 THR 10 HG22 THR 10 18.594 -10.357 4.245 81 HG23 THR 10 HG23 THR 10 18.383 -11.390 5.658 82 H ILE 11 H ILE 11 13.754 -9.376 5.768 83 HA ILE 11 HA ILE 11 14.589 -6.914 6.803 84 HB ILE 11 HB ILE 11 11.745 -7.906 6.589 85 HG12 ILE 11 HG12 ILE 11 13.005 -8.137 4.468 86 HG13 ILE 11 HG13 ILE 11 11.728 -6.929 4.360 87 HG21 ILE 11 HG21 ILE 11 11.607 -5.282 6.072 88 HG22 ILE 11 HG22 ILE 11 11.436 -5.955 7.692 89 HG23 ILE 11 HG23 ILE 11 12.984 -5.289 7.174 90 HD11 ILE 11 HD11 ILE 11 14.615 -6.271 4.875 91 HD12 ILE 11 HD12 ILE 11 13.868 -6.282 3.277 92 HD13 ILE 11 HD13 ILE 11 13.304 -5.151 4.506 93 H ILE 12 H ILE 12 12.875 -9.601 8.310 94 HA ILE 12 HA ILE 12 12.135 -8.363 10.702 95 HB ILE 12 HB ILE 12 12.940 -11.249 10.325 96 HG12 ILE 12 HG12 ILE 12 11.195 -10.616 8.745 97 HG13 ILE 12 HG13 ILE 12 10.520 -11.646 10.002 98 HG21 ILE 12 HG21 ILE 12 11.245 -9.918 12.434 99 HG22 ILE 12 HG22 ILE 12 11.476 -11.657 12.259 100 HG23 ILE 12 HG23 ILE 12 12.846 -10.623 12.664 101 HD11 ILE 12 HD11 ILE 12 10.272 -8.654 9.822 102 HD12 ILE 12 HD12 ILE 12 9.009 -9.840 9.495 103 HD13 ILE 12 HD13 ILE 12 9.640 -9.653 11.131 104 H GLY 13 H GLY 13 15.103 -10.146 9.884 105 HA2 GLY 13 HA2 GLY 13 16.370 -10.113 12.337 106 HA3 GLY 13 HA3 GLY 13 17.210 -10.040 10.795 107 H VAL 14 H VAL 14 17.028 -7.739 9.757 108 HA VAL 14 HA VAL 14 18.554 -5.985 11.234 109 HB VAL 14 HB VAL 14 16.603 -5.243 9.049 110 HG11 VAL 14 HG11 VAL 14 18.660 -3.517 8.800 111 HG12 VAL 14 HG12 VAL 14 17.193 -3.170 9.717 112 HG13 VAL 14 HG13 VAL 14 18.642 -3.735 10.550 113 HG21 VAL 14 HG21 VAL 14 19.376 -5.379 8.275 114 HG22 VAL 14 HG22 VAL 14 18.830 -6.923 8.930 115 HG23 VAL 14 HG23 VAL 14 17.974 -6.189 7.574 116 H SER 15 H SER 15 15.027 -6.037 10.872 117 HA SER 15 HA SER 15 14.352 -3.711 12.180 118 HB2 SER 15 HB2 SER 15 12.833 -5.470 11.049 119 HB3 SER 15 HB3 SER 15 12.797 -6.251 12.629 120 HG SER 15 HG SER 15 11.097 -4.878 12.641 121 H VAL 16 H VAL 16 14.929 -6.908 13.621 122 HA VAL 16 HA VAL 16 14.444 -6.152 16.289 123 HB VAL 16 HB VAL 16 16.353 -8.321 15.427 124 HG11 VAL 16 HG11 VAL 16 16.468 -8.078 17.749 125 HG12 VAL 16 HG12 VAL 16 14.735 -7.777 17.895 126 HG13 VAL 16 HG13 VAL 16 15.321 -9.396 17.511 127 HG21 VAL 16 HG21 VAL 16 13.952 -9.562 15.864 128 HG22 VAL 16 HG22 VAL 16 13.469 -8.092 15.018 129 HG23 VAL 16 HG23 VAL 16 14.636 -9.191 14.281 130 H LEU 17 H LEU 17 17.451 -6.334 14.411 131 HA LEU 17 HA LEU 17 19.291 -5.752 16.378 132 HB2 LEU 17 HB2 LEU 17 19.156 -5.267 13.452 133 HB3 LEU 17 HB3 LEU 17 20.425 -4.449 14.362 134 HG LEU 17 HG LEU 17 20.098 -7.399 14.668 135 HD11 LEU 17 HD11 LEU 17 20.266 -7.634 12.437 136 HD12 LEU 17 HD12 LEU 17 21.966 -7.267 12.727 137 HD13 LEU 17 HD13 LEU 17 20.866 -5.993 12.200 138 HD21 LEU 17 HD21 LEU 17 22.345 -7.347 15.274 139 HD22 LEU 17 HD22 LEU 17 21.698 -5.862 15.972 140 HD23 LEU 17 HD23 LEU 17 22.627 -5.801 14.473 141 H SER 18 H SER 18 17.562 -3.421 14.310 142 HA SER 18 HA SER 18 18.623 -1.100 15.456 143 HB2 SER 18 HB2 SER 18 17.253 -1.322 13.307 144 HB3 SER 18 HB3 SER 18 15.825 -1.300 14.341 145 HG SER 18 HG SER 18 17.762 0.726 13.972 146 H VAL 19 H VAL 19 15.741 -2.977 16.287 147 HA VAL 19 HA VAL 19 14.595 -1.308 18.172 148 HB VAL 19 HB VAL 19 14.726 -4.326 18.218 149 HG11 VAL 19 HG11 VAL 19 12.465 -3.870 19.476 150 HG12 VAL 19 HG12 VAL 19 14.000 -3.876 20.347 151 HG13 VAL 19 HG13 VAL 19 13.252 -2.346 19.886 152 HG21 VAL 19 HG21 VAL 19 12.206 -3.141 17.455 153 HG22 VAL 19 HG22 VAL 19 13.508 -2.610 16.392 154 HG23 VAL 19 HG23 VAL 19 13.191 -4.332 16.605 155 H LEU 20 H LEU 20 16.769 -4.046 18.902 156 HA LEU 20 HA LEU 20 17.126 -3.562 21.592 157 HB2 LEU 20 HB2 LEU 20 18.885 -4.791 19.506 158 HB3 LEU 20 HB3 LEU 20 19.455 -4.613 21.164 159 HG LEU 20 HG LEU 20 18.433 -6.862 20.431 160 HD11 LEU 20 HD11 LEU 20 18.996 -6.333 22.728 161 HD12 LEU 20 HD12 LEU 20 17.461 -7.196 22.659 162 HD13 LEU 20 HD13 LEU 20 17.480 -5.452 22.920 163 HD21 LEU 20 HD21 LEU 20 15.907 -5.287 20.920 164 HD22 LEU 20 HD22 LEU 20 16.021 -7.026 20.649 165 HD23 LEU 20 HD23 LEU 20 16.444 -5.903 19.356 166 H VAL 21 H VAL 21 18.940 -2.220 18.860 167 HA VAL 21 HA VAL 21 20.932 -0.866 20.214 168 HB VAL 21 HB VAL 21 19.460 0.014 17.727 169 HG11 VAL 21 HG11 VAL 21 20.550 1.947 18.131 170 HG12 VAL 21 HG12 VAL 21 21.715 1.188 19.218 171 HG13 VAL 21 HG13 VAL 21 21.926 1.064 17.472 172 HG21 VAL 21 HG21 VAL 21 22.181 -1.100 17.575 173 HG22 VAL 21 HG22 VAL 21 20.918 -2.239 18.041 174 HG23 VAL 21 HG23 VAL 21 20.790 -1.353 16.521 175 H VAL 22 H VAL 22 17.928 0.660 19.031 176 HA VAL 22 HA VAL 22 18.179 3.061 20.378 177 HB VAL 22 HB VAL 22 15.624 1.591 19.712 178 HG11 VAL 22 HG11 VAL 22 15.173 3.308 21.339 179 HG12 VAL 22 HG12 VAL 22 16.105 4.485 20.411 180 HG13 VAL 22 HG13 VAL 22 14.595 3.843 19.762 181 HG21 VAL 22 HG21 VAL 22 16.893 3.821 18.152 182 HG22 VAL 22 HG22 VAL 22 17.289 2.129 17.850 183 HG23 VAL 22 HG23 VAL 22 15.633 2.697 17.642 184 H SER 23 H SER 23 16.401 0.162 21.442 185 HA SER 23 HA SER 23 15.458 1.078 23.864 186 HB2 SER 23 HB2 SER 23 15.271 -1.271 22.615 187 HB3 SER 23 HB3 SER 23 16.519 -1.707 23.783 188 HG SER 23 HG SER 23 14.624 -2.109 24.798 189 H VAL 24 H VAL 24 18.450 -0.820 23.432 190 HA VAL 24 HA VAL 24 19.441 -0.601 25.997 191 HB VAL 24 HB VAL 24 21.027 -0.653 23.426 192 HG11 VAL 24 HG11 VAL 24 21.848 -0.466 26.193 193 HG12 VAL 24 HG12 VAL 24 22.471 -1.929 25.427 194 HG13 VAL 24 HG13 VAL 24 22.812 -0.349 24.721 195 HG21 VAL 24 HG21 VAL 24 20.873 -2.937 23.429 196 HG22 VAL 24 HG22 VAL 24 20.619 -3.030 25.171 197 HG23 VAL 24 HG23 VAL 24 19.301 -2.524 24.114 198 H VAL 25 H VAL 25 20.207 1.520 23.234 199 HA VAL 25 HA VAL 25 21.883 3.309 24.487 200 HB VAL 25 HB VAL 25 19.820 3.908 22.363 201 HG11 VAL 25 HG11 VAL 25 22.204 5.507 23.286 202 HG12 VAL 25 HG12 VAL 25 21.280 5.839 21.820 203 HG13 VAL 25 HG13 VAL 25 20.506 5.969 23.399 204 HG21 VAL 25 HG21 VAL 25 22.727 3.629 21.809 205 HG22 VAL 25 HG22 VAL 25 21.788 2.162 22.086 206 HG23 VAL 25 HG23 VAL 25 21.340 3.262 20.783 207 H ALA 26 H ALA 26 18.343 3.587 24.171 208 HA ALA 26 HA ALA 26 17.951 5.945 25.542 209 HB1 ALA 26 HB1 ALA 26 15.997 5.241 24.634 210 HB2 ALA 26 HB2 ALA 26 16.296 3.546 25.024 211 HB3 ALA 26 HB3 ALA 26 15.737 4.654 26.277 212 H VAL 27 H VAL 27 18.268 2.671 26.860 213 HA VAL 27 HA VAL 27 17.795 3.424 29.562 214 HB VAL 27 HB VAL 27 19.215 0.990 28.470 215 HG11 VAL 27 HG11 VAL 27 19.855 0.891 30.651 216 HG12 VAL 27 HG12 VAL 27 18.485 1.852 31.213 217 HG13 VAL 27 HG13 VAL 27 18.262 0.151 30.803 218 HG21 VAL 27 HG21 VAL 27 17.170 -0.127 28.478 219 HG22 VAL 27 HG22 VAL 27 16.405 1.079 29.512 220 HG23 VAL 27 HG23 VAL 27 16.764 1.462 27.829 221 H LEU 28 H LEU 28 20.733 2.872 27.656 222 HA LEU 28 HA LEU 28 22.653 3.075 29.620 223 HB2 LEU 28 HB2 LEU 28 22.688 4.057 26.775 224 HB3 LEU 28 HB3 LEU 28 24.113 4.049 27.812 225 HG LEU 28 HG LEU 28 22.577 1.534 27.240 226 HD11 LEU 28 HD11 LEU 28 24.172 3.096 25.392 227 HD12 LEU 28 HD12 LEU 28 23.164 1.679 25.099 228 HD13 LEU 28 HD13 LEU 28 24.830 1.478 25.640 229 HD21 LEU 28 HD21 LEU 28 24.421 0.429 28.068 230 HD22 LEU 28 HD22 LEU 28 24.386 1.867 29.088 231 HD23 LEU 28 HD23 LEU 28 25.512 1.773 27.733 232 H VAL 29 H VAL 29 21.329 5.756 27.676 233 HA VAL 29 HA VAL 29 22.693 7.796 29.071 234 HB VAL 29 HB VAL 29 20.064 8.132 27.633 235 HG11 VAL 29 HG11 VAL 29 20.806 10.077 28.876 236 HG12 VAL 29 HG12 VAL 29 22.391 9.994 28.103 237 HG13 VAL 29 HG13 VAL 29 20.959 10.371 27.144 238 HG21 VAL 29 HG21 VAL 29 21.583 8.666 25.648 239 HG22 VAL 29 HG22 VAL 29 22.839 7.800 26.533 240 HG23 VAL 29 HG23 VAL 29 21.357 6.966 26.062 241 H TYR 30 H TYR 30 19.515 6.326 29.496 242 HA TYR 30 HA TYR 30 18.362 8.071 31.293 243 HB2 TYR 30 HB2 TYR 30 17.769 5.542 30.309 244 HB3 TYR 30 HB3 TYR 30 17.900 5.295 32.047 245 HD1 TYR 30 HD1 TYR 30 16.150 5.923 33.478 246 HD2 TYR 30 HD2 TYR 30 16.193 7.359 29.473 247 HE1 TYR 30 HE1 TYR 30 13.879 6.817 33.781 248 HE2 TYR 30 HE2 TYR 30 13.922 8.258 29.765 249 HH TYR 30 HH TYR 30 12.526 8.869 32.521 250 H LYS 31 H LYS 31 20.639 5.438 31.940 251 HA LYS 31 HA LYS 31 20.689 6.053 34.776 252 HB2 LYS 31 HB2 LYS 31 22.515 4.130 33.351 253 HB3 LYS 31 HB3 LYS 31 22.021 4.118 35.039 254 HG2 LYS 31 HG2 LYS 31 19.824 3.401 34.472 255 HG3 LYS 31 HG3 LYS 31 20.125 3.649 32.751 256 HD2 LYS 31 HD2 LYS 31 20.462 1.396 32.860 257 HD3 LYS 31 HD3 LYS 31 22.098 1.942 33.234 258 HE2 LYS 31 HE2 LYS 31 21.225 1.906 35.699 259 HE3 LYS 31 HE3 LYS 31 20.008 0.811 35.044 260 HZ1 LYS 31 HZ1 LYS 31 22.259 -0.092 35.968 261 HZ2 LYS 31 HZ2 LYS 31 22.830 0.307 34.427 262 HZ3 LYS 31 HZ3 LYS 31 21.553 -0.790 34.598 263 H PHE 32 H PHE 32 23.065 5.965 32.118 264 HA PHE 32 HA PHE 32 25.248 6.998 33.439 265 HB2 PHE 32 HB2 PHE 32 24.334 7.172 30.588 266 HB3 PHE 32 HB3 PHE 32 25.783 8.030 31.100 267 HD1 PHE 32 HD1 PHE 32 24.900 5.304 29.391 268 HD2 PHE 32 HD2 PHE 32 27.148 6.283 32.870 269 HE1 PHE 32 HE1 PHE 32 26.209 3.239 29.122 270 HE2 PHE 32 HE2 PHE 32 28.462 4.220 32.605 271 HZ PHE 32 HZ PHE 32 27.994 2.695 30.729 272 H TYR 33 H TYR 33 22.342 8.602 32.510 273 HA TYR 33 HA TYR 33 23.527 11.214 33.167 274 HB2 TYR 33 HB2 TYR 33 22.325 10.790 30.914 275 HB3 TYR 33 HB3 TYR 33 20.843 10.847 31.861 276 HD1 TYR 33 HD1 TYR 33 20.842 12.970 33.571 277 HD2 TYR 33 HD2 TYR 33 22.900 12.747 29.854 278 HE1 TYR 33 HE1 TYR 33 20.840 15.425 33.430 279 HE2 TYR 33 HE2 TYR 33 22.905 15.202 29.703 280 HH TYR 33 HH TYR 33 21.939 17.101 30.555 281 H PHE 34 H PHE 34 20.521 9.349 33.594 282 HA PHE 34 HA PHE 34 20.090 10.794 36.124 283 HB2 PHE 34 HB2 PHE 34 18.012 9.377 34.445 284 HB3 PHE 34 HB3 PHE 34 17.719 10.372 35.867 285 HD1 PHE 34 HD1 PHE 34 17.601 12.732 35.716 286 HD2 PHE 34 HD2 PHE 34 18.790 10.424 32.343 287 HE1 PHE 34 HE1 PHE 34 17.367 14.716 34.279 288 HE2 PHE 34 HE2 PHE 34 18.558 12.404 30.902 289 HZ PHE 34 HZ PHE 34 17.847 14.554 31.869 290 H HIS 35 H HIS 35 21.854 8.804 36.339 291 HA HIS 35 HA HIS 35 21.064 6.201 36.681 292 HB2 HIS 35 HB2 HIS 35 23.368 6.735 36.940 293 HB3 HIS 35 HB3 HIS 35 23.034 7.854 38.259 294 HD1 HIS 35 HD1 HIS 35 22.176 4.172 37.754 295 HD2 HIS 35 HD2 HIS 35 23.949 6.713 40.522 296 HE1 HIS 35 HE1 HIS 35 22.786 2.715 39.710 Start of MODEL 7 1 H1 MET 1 H MET 1 2.858 3.467 3.937 2 HA MET 1 HA MET 1 0.697 1.607 4.345 3 HB2 MET 1 HB2 MET 1 -0.025 1.618 1.968 4 HB3 MET 1 HB3 MET 1 -0.414 3.108 2.816 5 HG2 MET 1 HG2 MET 1 2.157 3.046 1.370 6 HG3 MET 1 HG3 MET 1 0.693 3.041 0.389 7 HE1 MET 1 HE1 MET 1 2.788 6.587 1.709 8 HE2 MET 1 HE2 MET 1 3.319 4.905 1.664 9 HE3 MET 1 HE3 MET 1 2.771 5.698 0.186 10 H ASN 2 H ASN 2 0.910 -0.201 2.554 11 HA ASN 2 HA ASN 2 3.638 -1.121 2.727 12 HB2 ASN 2 HB2 ASN 2 1.431 -2.500 2.967 13 HB3 ASN 2 HB3 ASN 2 1.487 -2.561 1.208 14 HD21 ASN 2 HD21 ASN 2 2.012 -4.618 0.832 15 HD22 ASN 2 HD22 ASN 2 3.430 -5.404 1.428 16 H ILE 3 H ILE 3 5.142 -0.729 1.255 17 HA ILE 3 HA ILE 3 4.345 0.171 -1.409 18 HB ILE 3 HB ILE 3 7.154 0.085 -0.327 19 HG12 ILE 3 HG12 ILE 3 6.323 2.714 -0.146 20 HG13 ILE 3 HG13 ILE 3 4.921 1.819 0.431 21 HG21 ILE 3 HG21 ILE 3 6.343 2.228 -2.139 22 HG22 ILE 3 HG22 ILE 3 7.751 1.168 -2.192 23 HG23 ILE 3 HG23 ILE 3 6.206 0.614 -2.837 24 HD11 ILE 3 HD11 ILE 3 7.281 0.740 1.617 25 HD12 ILE 3 HD12 ILE 3 7.249 2.489 1.843 26 HD13 ILE 3 HD13 ILE 3 5.891 1.504 2.388 27 H THR 4 H THR 4 4.057 -2.613 -0.711 28 HA THR 4 HA THR 4 4.707 -4.732 -1.341 29 HB THR 4 HB THR 4 3.491 -3.917 -3.302 30 HG1 THR 4 HG1 THR 4 4.095 -5.633 -4.423 31 HG21 THR 4 HG21 THR 4 4.761 -3.067 -5.257 32 HG22 THR 4 HG22 THR 4 6.206 -2.994 -4.248 33 HG23 THR 4 HG23 THR 4 4.815 -1.977 -3.873 34 H SER 5 H SER 5 6.871 -3.452 -0.151 35 HA SER 5 HA SER 5 9.231 -3.307 -1.591 36 HB2 SER 5 HB2 SER 5 8.818 -4.213 1.268 37 HB3 SER 5 HB3 SER 5 10.377 -3.771 0.572 38 HG SER 5 HG SER 5 8.151 -2.142 1.131 39 H GLN 6 H GLN 6 10.782 -4.741 -2.233 40 HA GLN 6 HA GLN 6 9.980 -7.558 -2.248 41 HB2 GLN 6 HB2 GLN 6 11.836 -5.921 -3.954 42 HB3 GLN 6 HB3 GLN 6 11.921 -7.678 -3.958 43 HG2 GLN 6 HG2 GLN 6 9.543 -7.757 -4.608 44 HG3 GLN 6 HG3 GLN 6 9.536 -5.996 -4.691 45 HE21 GLN 6 HE21 GLN 6 9.743 -8.701 -6.493 46 HE22 GLN 6 HE22 GLN 6 10.607 -8.091 -7.859 47 H MET 7 H MET 7 11.039 -6.455 0.154 48 HA MET 7 HA MET 7 13.744 -7.573 0.297 49 HB2 MET 7 HB2 MET 7 12.225 -5.563 1.865 50 HB3 MET 7 HB3 MET 7 13.374 -6.554 2.754 51 HG2 MET 7 HG2 MET 7 14.699 -4.794 2.179 52 HG3 MET 7 HG3 MET 7 14.994 -5.872 0.818 53 HE1 MET 7 HE1 MET 7 13.899 -1.649 0.624 54 HE2 MET 7 HE2 MET 7 12.886 -2.458 1.820 55 HE3 MET 7 HE3 MET 7 14.641 -2.622 1.894 56 H ASN 8 H ASN 8 14.304 -8.946 2.132 57 HA ASN 8 HA ASN 8 12.293 -10.974 2.541 58 HB2 ASN 8 HB2 ASN 8 15.215 -10.715 3.113 59 HB3 ASN 8 HB3 ASN 8 14.288 -11.924 3.997 60 HD21 ASN 8 HD21 ASN 8 15.225 -10.828 0.798 61 HD22 ASN 8 HD22 ASN 8 15.016 -12.352 0.011 62 H LYS 9 H LYS 9 11.117 -11.334 4.327 63 HA LYS 9 HA LYS 9 10.753 -9.366 6.266 64 HB2 LYS 9 HB2 LYS 9 9.011 -10.958 5.840 65 HB3 LYS 9 HB3 LYS 9 10.054 -12.303 6.280 66 HG2 LYS 9 HG2 LYS 9 8.435 -11.820 8.030 67 HG3 LYS 9 HG3 LYS 9 10.086 -11.546 8.591 68 HD2 LYS 9 HD2 LYS 9 9.843 -9.218 8.524 69 HD3 LYS 9 HD3 LYS 9 8.418 -9.308 7.485 70 HE2 LYS 9 HE2 LYS 9 7.287 -10.501 9.439 71 HE3 LYS 9 HE3 LYS 9 8.646 -9.944 10.414 72 HZ1 LYS 9 HZ1 LYS 9 6.673 -8.274 8.961 73 HZ2 LYS 9 HZ2 LYS 9 8.085 -7.654 9.655 74 HZ3 LYS 9 HZ3 LYS 9 6.906 -8.370 10.634 75 H THR 10 H THR 10 13.003 -12.002 6.120 76 HA THR 10 HA THR 10 13.648 -12.300 8.819 77 HB THR 10 HB THR 10 15.889 -12.454 6.881 78 HG1 THR 10 HG1 THR 10 13.558 -14.087 6.714 79 HG21 THR 10 HG21 THR 10 14.735 -14.345 8.934 80 HG22 THR 10 HG22 THR 10 16.148 -13.309 9.138 81 HG23 THR 10 HG23 THR 10 16.191 -14.643 7.985 82 H ILE 11 H ILE 11 15.216 -10.233 6.372 83 HA ILE 11 HA ILE 11 17.101 -9.030 8.010 84 HB ILE 11 HB ILE 11 15.636 -7.725 5.714 85 HG12 ILE 11 HG12 ILE 11 18.269 -9.202 5.640 86 HG13 ILE 11 HG13 ILE 11 16.732 -9.961 5.240 87 HG21 ILE 11 HG21 ILE 11 16.799 -5.932 6.372 88 HG22 ILE 11 HG22 ILE 11 17.832 -6.881 7.440 89 HG23 ILE 11 HG23 ILE 11 18.204 -6.776 5.719 90 HD11 ILE 11 HD11 ILE 11 18.240 -9.014 3.360 91 HD12 ILE 11 HD12 ILE 11 16.496 -8.755 3.295 92 HD13 ILE 11 HD13 ILE 11 17.561 -7.460 3.843 93 H ILE 12 H ILE 12 13.770 -8.003 7.331 94 HA ILE 12 HA ILE 12 13.733 -5.615 8.726 95 HB ILE 12 HB ILE 12 11.472 -7.611 8.562 96 HG12 ILE 12 HG12 ILE 12 12.239 -5.351 6.701 97 HG13 ILE 12 HG13 ILE 12 12.374 -7.070 6.347 98 HG21 ILE 12 HG21 ILE 12 10.012 -5.703 8.878 99 HG22 ILE 12 HG22 ILE 12 11.140 -5.831 10.226 100 HG23 ILE 12 HG23 ILE 12 11.403 -4.624 8.968 101 HD11 ILE 12 HD11 ILE 12 10.432 -6.460 5.262 102 HD12 ILE 12 HD12 ILE 12 9.833 -7.117 6.786 103 HD13 ILE 12 HD13 ILE 12 9.929 -5.371 6.555 104 H GLY 13 H GLY 13 13.087 -8.892 9.946 105 HA2 GLY 13 HA2 GLY 13 12.352 -8.303 12.541 106 HA3 GLY 13 HA3 GLY 13 13.229 -9.752 12.072 107 H VAL 14 H VAL 14 15.663 -9.245 11.608 108 HA VAL 14 HA VAL 14 16.911 -8.659 13.992 109 HB VAL 14 HB VAL 14 18.116 -8.251 11.252 110 HG11 VAL 14 HG11 VAL 14 19.177 -8.167 13.977 111 HG12 VAL 14 HG12 VAL 14 20.080 -9.217 12.883 112 HG13 VAL 14 HG13 VAL 14 19.842 -7.517 12.479 113 HG21 VAL 14 HG21 VAL 14 17.084 -10.604 12.428 114 HG22 VAL 14 HG22 VAL 14 18.006 -10.446 10.933 115 HG23 VAL 14 HG23 VAL 14 18.843 -10.730 12.459 116 H SER 15 H SER 15 16.283 -6.485 11.264 117 HA SER 15 HA SER 15 17.671 -4.248 12.076 118 HB2 SER 15 HB2 SER 15 14.958 -4.321 10.733 119 HB3 SER 15 HB3 SER 15 16.045 -2.934 10.770 120 HG SER 15 HG SER 15 17.520 -4.091 9.548 121 H VAL 16 H VAL 16 14.357 -5.181 12.958 122 HA VAL 16 HA VAL 16 13.822 -2.951 14.594 123 HB VAL 16 HB VAL 16 12.637 -5.697 14.978 124 HG11 VAL 16 HG11 VAL 16 11.805 -2.901 15.660 125 HG12 VAL 16 HG12 VAL 16 10.607 -4.185 15.482 126 HG13 VAL 16 HG13 VAL 16 11.878 -4.326 16.697 127 HG21 VAL 16 HG21 VAL 16 12.008 -5.580 12.832 128 HG22 VAL 16 HG22 VAL 16 10.874 -4.345 13.380 129 HG23 VAL 16 HG23 VAL 16 12.432 -3.872 12.703 130 H LEU 17 H LEU 17 15.098 -6.173 15.340 131 HA LEU 17 HA LEU 17 15.177 -5.935 18.123 132 HB2 LEU 17 HB2 LEU 17 16.943 -7.479 16.236 133 HB3 LEU 17 HB3 LEU 17 16.997 -7.651 17.989 134 HG LEU 17 HG LEU 17 14.473 -8.144 16.437 135 HD11 LEU 17 HD11 LEU 17 15.069 -10.236 15.843 136 HD12 LEU 17 HD12 LEU 17 16.115 -10.456 17.246 137 HD13 LEU 17 HD13 LEU 17 16.690 -9.541 15.853 138 HD21 LEU 17 HD21 LEU 17 14.111 -7.922 18.770 139 HD22 LEU 17 HD22 LEU 17 15.508 -8.928 19.153 140 HD23 LEU 17 HD23 LEU 17 14.077 -9.649 18.416 141 H SER 18 H SER 18 17.452 -4.885 15.651 142 HA SER 18 HA SER 18 19.505 -4.130 17.488 143 HB2 SER 18 HB2 SER 18 19.973 -4.680 15.121 144 HB3 SER 18 HB3 SER 18 19.080 -3.243 14.623 145 HG SER 18 HG SER 18 21.572 -3.449 15.888 146 H VAL 19 H VAL 19 16.735 -2.544 16.068 147 HA VAL 19 HA VAL 19 17.459 0.124 16.661 148 HB VAL 19 HB VAL 19 14.713 -1.096 16.342 149 HG11 VAL 19 HG11 VAL 19 14.397 0.943 17.484 150 HG12 VAL 19 HG12 VAL 19 15.624 1.765 16.517 151 HG13 VAL 19 HG13 VAL 19 14.089 1.298 15.784 152 HG21 VAL 19 HG21 VAL 19 16.702 -0.835 14.466 153 HG22 VAL 19 HG22 VAL 19 14.977 -0.962 14.124 154 HG23 VAL 19 HG23 VAL 19 15.742 0.624 14.224 155 H LEU 20 H LEU 20 15.273 -2.126 18.358 156 HA LEU 20 HA LEU 20 14.752 -0.446 20.547 157 HB2 LEU 20 HB2 LEU 20 14.131 -2.594 21.709 158 HB3 LEU 20 HB3 LEU 20 13.292 -2.255 20.197 159 HG LEU 20 HG LEU 20 15.380 -3.795 19.345 160 HD11 LEU 20 HD11 LEU 20 15.713 -4.112 21.945 161 HD12 LEU 20 HD12 LEU 20 15.939 -5.445 20.814 162 HD13 LEU 20 HD13 LEU 20 14.433 -5.304 21.721 163 HD21 LEU 20 HD21 LEU 20 13.216 -4.171 18.530 164 HD22 LEU 20 HD22 LEU 20 12.564 -4.467 20.141 165 HD23 LEU 20 HD23 LEU 20 13.631 -5.654 19.389 166 H VAL 21 H VAL 21 17.088 -3.106 20.187 167 HA VAL 21 HA VAL 21 18.210 -3.121 22.694 168 HB VAL 21 HB VAL 21 19.470 -3.584 20.000 169 HG11 VAL 21 HG11 VAL 21 20.739 -3.716 22.719 170 HG12 VAL 21 HG12 VAL 21 21.340 -4.663 21.357 171 HG13 VAL 21 HG13 VAL 21 21.324 -2.901 21.269 172 HG21 VAL 21 HG21 VAL 21 17.769 -5.106 21.538 173 HG22 VAL 21 HG22 VAL 21 18.814 -5.706 20.250 174 HG23 VAL 21 HG23 VAL 21 19.358 -5.765 21.926 175 H VAL 22 H VAL 22 19.508 -1.286 19.919 176 HA VAL 22 HA VAL 22 21.459 0.139 21.245 177 HB VAL 22 HB VAL 22 19.742 1.081 18.944 178 HG11 VAL 22 HG11 VAL 22 20.713 3.060 19.366 179 HG12 VAL 22 HG12 VAL 22 21.949 2.346 20.403 180 HG13 VAL 22 HG13 VAL 22 22.144 2.320 18.650 181 HG21 VAL 22 HG21 VAL 22 21.241 -1.077 18.857 182 HG22 VAL 22 HG22 VAL 22 21.207 0.056 17.506 183 HG23 VAL 22 HG23 VAL 22 22.540 0.099 18.659 184 H SER 23 H SER 23 18.109 1.193 20.626 185 HA SER 23 HA SER 23 18.185 3.640 21.901 186 HB2 SER 23 HB2 SER 23 16.201 3.275 20.760 187 HB3 SER 23 HB3 SER 23 16.009 1.644 21.403 188 HG SER 23 HG SER 23 14.784 2.492 22.867 189 H VAL 24 H VAL 24 17.349 0.484 23.318 190 HA VAL 24 HA VAL 24 16.796 1.288 25.905 191 HB VAL 24 HB VAL 24 18.180 -1.255 25.039 192 HG11 VAL 24 HG11 VAL 24 16.838 -1.981 27.223 193 HG12 VAL 24 HG12 VAL 24 18.498 -1.383 27.286 194 HG13 VAL 24 HG13 VAL 24 17.154 -0.299 27.650 195 HG21 VAL 24 HG21 VAL 24 15.429 -1.569 25.754 196 HG22 VAL 24 HG22 VAL 24 15.574 -0.310 24.528 197 HG23 VAL 24 HG23 VAL 24 16.225 -1.920 24.220 198 H VAL 25 H VAL 25 19.943 0.220 24.613 199 HA VAL 25 HA VAL 25 21.487 0.526 26.875 200 HB VAL 25 HB VAL 25 22.288 1.113 24.021 201 HG11 VAL 25 HG11 VAL 25 23.891 2.105 25.517 202 HG12 VAL 25 HG12 VAL 25 23.972 0.625 26.475 203 HG13 VAL 25 HG13 VAL 25 24.588 0.643 24.822 204 HG21 VAL 25 HG21 VAL 25 22.498 -1.396 25.683 205 HG22 VAL 25 HG22 VAL 25 21.434 -1.139 24.299 206 HG23 VAL 25 HG23 VAL 25 23.183 -1.182 24.072 207 H ALA 26 H ALA 26 20.917 2.981 24.352 208 HA ALA 26 HA ALA 26 22.350 5.073 25.428 209 HB1 ALA 26 HB1 ALA 26 19.735 5.777 24.243 210 HB2 ALA 26 HB2 ALA 26 21.352 6.374 23.867 211 HB3 ALA 26 HB3 ALA 26 20.824 4.810 23.248 212 H VAL 27 H VAL 27 19.042 4.065 26.187 213 HA VAL 27 HA VAL 27 18.509 6.214 27.974 214 HB VAL 27 HB VAL 27 17.185 3.502 27.813 215 HG11 VAL 27 HG11 VAL 27 15.284 5.186 28.726 216 HG12 VAL 27 HG12 VAL 27 16.308 4.197 29.770 217 HG13 VAL 27 HG13 VAL 27 16.718 5.887 29.475 218 HG21 VAL 27 HG21 VAL 27 16.279 4.199 25.910 219 HG22 VAL 27 HG22 VAL 27 15.555 5.559 26.768 220 HG23 VAL 27 HG23 VAL 27 17.147 5.729 26.029 221 H LEU 28 H LEU 28 19.552 2.855 28.434 222 HA LEU 28 HA LEU 28 19.483 2.678 31.180 223 HB2 LEU 28 HB2 LEU 28 21.194 1.462 29.073 224 HB3 LEU 28 HB3 LEU 28 21.667 1.247 30.757 225 HG LEU 28 HG LEU 28 18.902 0.537 29.843 226 HD11 LEU 28 HD11 LEU 28 21.331 -1.242 29.701 227 HD12 LEU 28 HD12 LEU 28 20.429 -0.610 28.324 228 HD13 LEU 28 HD13 LEU 28 19.661 -1.742 29.436 229 HD21 LEU 28 HD21 LEU 28 20.069 0.612 32.304 230 HD22 LEU 28 HD22 LEU 28 20.321 -1.070 31.838 231 HD23 LEU 28 HD23 LEU 28 18.690 -0.398 31.868 232 H VAL 29 H VAL 29 22.244 3.767 29.203 233 HA VAL 29 HA VAL 29 23.870 4.500 31.391 234 HB VAL 29 HB VAL 29 24.008 5.712 28.634 235 HG11 VAL 29 HG11 VAL 29 25.431 6.768 30.294 236 HG12 VAL 29 HG12 VAL 29 26.104 5.199 30.742 237 HG13 VAL 29 HG13 VAL 29 26.408 5.864 29.136 238 HG21 VAL 29 HG21 VAL 29 23.908 3.358 28.281 239 HG22 VAL 29 HG22 VAL 29 25.600 3.835 28.138 240 HG23 VAL 29 HG23 VAL 29 25.027 3.050 29.609 241 H TYR 30 H TYR 30 21.551 6.298 29.432 242 HA TYR 30 HA TYR 30 22.080 8.883 30.234 243 HB2 TYR 30 HB2 TYR 30 20.075 7.612 28.790 244 HB3 TYR 30 HB3 TYR 30 19.216 8.361 30.131 245 HD1 TYR 30 HD1 TYR 30 22.006 9.318 27.823 246 HD2 TYR 30 HD2 TYR 30 18.330 10.427 29.656 247 HE1 TYR 30 HE1 TYR 30 22.084 11.481 26.655 248 HE2 TYR 30 HE2 TYR 30 18.397 12.593 28.492 249 HH TYR 30 HH TYR 30 21.198 13.616 26.674 250 H LYS 31 H LYS 31 20.131 6.426 31.874 251 HA LYS 31 HA LYS 31 19.567 8.215 34.089 252 HB2 LYS 31 HB2 LYS 31 18.941 5.272 33.986 253 HB3 LYS 31 HB3 LYS 31 18.131 6.526 34.915 254 HG2 LYS 31 HG2 LYS 31 17.118 7.431 32.962 255 HG3 LYS 31 HG3 LYS 31 18.099 6.407 31.910 256 HD2 LYS 31 HD2 LYS 31 16.168 5.190 31.921 257 HD3 LYS 31 HD3 LYS 31 16.960 4.485 33.333 258 HE2 LYS 31 HE2 LYS 31 15.161 6.859 33.628 259 HE3 LYS 31 HE3 LYS 31 14.481 5.238 33.499 260 HZ1 LYS 31 HZ1 LYS 31 16.591 5.235 35.368 261 HZ2 LYS 31 HZ2 LYS 31 14.957 4.876 35.616 262 HZ3 LYS 31 HZ3 LYS 31 15.504 6.469 35.765 263 H PHE 32 H PHE 32 21.185 5.065 33.673 264 HA PHE 32 HA PHE 32 22.169 4.734 36.223 265 HB2 PHE 32 HB2 PHE 32 23.155 3.883 33.527 266 HB3 PHE 32 HB3 PHE 32 24.154 3.580 34.944 267 HD1 PHE 32 HD1 PHE 32 20.501 3.326 34.210 268 HD2 PHE 32 HD2 PHE 32 24.022 1.404 35.635 269 HE1 PHE 32 HE1 PHE 32 19.195 1.297 34.690 270 HE2 PHE 32 HE2 PHE 32 22.721 -0.629 36.115 271 HZ PHE 32 HZ PHE 32 20.305 -0.684 35.642 272 H TYR 33 H TYR 33 23.148 7.001 33.819 273 HA TYR 33 HA TYR 33 25.510 7.734 35.414 274 HB2 TYR 33 HB2 TYR 33 25.698 7.152 32.902 275 HB3 TYR 33 HB3 TYR 33 24.959 8.726 32.628 276 HD1 TYR 33 HD1 TYR 33 27.991 7.083 32.759 277 HD2 TYR 33 HD2 TYR 33 26.140 10.657 34.138 278 HE1 TYR 33 HE1 TYR 33 30.201 8.146 32.954 279 HE2 TYR 33 HE2 TYR 33 28.344 11.730 34.335 280 HH TYR 33 HH TYR 33 31.181 10.103 34.386 281 H PHE 34 H PHE 34 22.882 9.212 33.515 282 HA PHE 34 HA PHE 34 23.043 11.558 35.288 283 HB2 PHE 34 HB2 PHE 34 21.873 11.453 32.502 284 HB3 PHE 34 HB3 PHE 34 22.136 12.889 33.486 285 HD1 PHE 34 HD1 PHE 34 24.252 13.950 33.578 286 HD2 PHE 34 HD2 PHE 34 23.804 10.226 31.565 287 HE1 PHE 34 HE1 PHE 34 26.488 14.221 32.588 288 HE2 PHE 34 HE2 PHE 34 26.040 10.491 30.572 289 HZ PHE 34 HZ PHE 34 27.385 12.489 31.084 290 H HIS 35 H HIS 35 21.694 9.520 36.360 291 HA HIS 35 HA HIS 35 19.057 9.060 35.770 292 HB2 HIS 35 HB2 HIS 35 20.055 7.835 37.549 293 HB3 HIS 35 HB3 HIS 35 20.432 9.304 38.445 294 HD1 HIS 35 HD1 HIS 35 18.972 9.512 40.414 295 HD2 HIS 35 HD2 HIS 35 16.975 7.789 37.204 296 HE1 HIS 35 HE1 HIS 35 16.633 9.081 41.230 Start of MODEL 8 1 H1 MET 1 H MET 1 7.524 4.758 1.007 2 HA MET 1 HA MET 1 6.311 3.878 3.486 3 HB2 MET 1 HB2 MET 1 5.343 5.819 2.477 4 HB3 MET 1 HB3 MET 1 5.173 5.005 0.928 5 HG2 MET 1 HG2 MET 1 3.029 5.168 1.989 6 HG3 MET 1 HG3 MET 1 3.530 3.480 1.935 7 HE1 MET 1 HE1 MET 1 1.602 5.189 5.310 8 HE2 MET 1 HE2 MET 1 2.509 6.460 4.490 9 HE3 MET 1 HE3 MET 1 1.457 5.389 3.564 10 H ASN 2 H ASN 2 5.860 3.026 0.047 11 HA ASN 2 HA ASN 2 5.423 0.243 0.881 12 HB2 ASN 2 HB2 ASN 2 3.535 -0.001 -0.578 13 HB3 ASN 2 HB3 ASN 2 3.240 1.409 0.435 14 HD21 ASN 2 HD21 ASN 2 3.299 3.458 -0.475 15 HD22 ASN 2 HD22 ASN 2 3.229 3.707 -2.184 16 H ILE 3 H ILE 3 6.642 -1.151 -0.209 17 HA ILE 3 HA ILE 3 8.041 -0.208 -2.603 18 HB ILE 3 HB ILE 3 8.610 -2.754 -1.099 19 HG12 ILE 3 HG12 ILE 3 9.794 -0.008 -0.635 20 HG13 ILE 3 HG13 ILE 3 8.745 -0.880 0.477 21 HG21 ILE 3 HG21 ILE 3 10.801 -1.314 -2.369 22 HG22 ILE 3 HG22 ILE 3 10.341 -3.012 -2.486 23 HG23 ILE 3 HG23 ILE 3 9.545 -1.811 -3.503 24 HD11 ILE 3 HD11 ILE 3 11.524 -1.659 -0.367 25 HD12 ILE 3 HD12 ILE 3 11.016 -1.062 1.214 26 HD13 ILE 3 HD13 ILE 3 10.468 -2.640 0.649 27 H THR 4 H THR 4 5.253 -1.026 -2.700 28 HA THR 4 HA THR 4 3.827 -2.499 -3.752 29 HB THR 4 HB THR 4 4.684 -1.141 -5.600 30 HG1 THR 4 HG1 THR 4 4.561 -3.838 -6.482 31 HG21 THR 4 HG21 THR 4 6.786 -3.296 -5.833 32 HG22 THR 4 HG22 THR 4 7.052 -1.601 -5.426 33 HG23 THR 4 HG23 THR 4 6.491 -2.044 -7.038 34 H SER 5 H SER 5 5.403 -3.910 -1.942 35 HA SER 5 HA SER 5 5.253 -6.544 -3.068 36 HB2 SER 5 HB2 SER 5 7.629 -5.404 -3.573 37 HB3 SER 5 HB3 SER 5 7.957 -6.010 -1.950 38 HG SER 5 HG SER 5 7.937 -7.364 -4.228 39 H GLN 6 H GLN 6 6.472 -8.080 -1.290 40 HA GLN 6 HA GLN 6 5.111 -7.404 1.207 41 HB2 GLN 6 HB2 GLN 6 6.219 -9.991 0.122 42 HB3 GLN 6 HB3 GLN 6 5.607 -9.828 1.762 43 HG2 GLN 6 HG2 GLN 6 3.468 -9.859 1.106 44 HG3 GLN 6 HG3 GLN 6 3.783 -8.871 -0.320 45 HE21 GLN 6 HE21 GLN 6 2.607 -10.117 -1.718 46 HE22 GLN 6 HE22 GLN 6 3.074 -11.712 -2.189 47 H MET 7 H MET 7 6.369 -8.623 3.150 48 HA MET 7 HA MET 7 8.947 -7.247 3.279 49 HB2 MET 7 HB2 MET 7 7.138 -8.397 5.402 50 HB3 MET 7 HB3 MET 7 8.751 -7.787 5.750 51 HG2 MET 7 HG2 MET 7 8.128 -5.583 5.008 52 HG3 MET 7 HG3 MET 7 6.543 -6.168 4.506 53 HE1 MET 7 HE1 MET 7 5.831 -3.863 7.615 54 HE2 MET 7 HE2 MET 7 6.791 -3.689 6.146 55 HE3 MET 7 HE3 MET 7 5.152 -4.335 6.057 56 H ASN 8 H ASN 8 10.855 -8.275 3.883 57 HA ASN 8 HA ASN 8 10.891 -11.147 3.342 58 HB2 ASN 8 HB2 ASN 8 12.452 -9.321 2.266 59 HB3 ASN 8 HB3 ASN 8 13.373 -9.524 3.753 60 HD21 ASN 8 HD21 ASN 8 14.921 -10.166 1.952 61 HD22 ASN 8 HD22 ASN 8 14.982 -11.849 1.569 62 H LYS 9 H LYS 9 12.710 -12.333 4.618 63 HA LYS 9 HA LYS 9 11.956 -12.225 7.386 64 HB2 LYS 9 HB2 LYS 9 12.368 -14.363 6.231 65 HB3 LYS 9 HB3 LYS 9 14.053 -13.911 6.004 66 HG2 LYS 9 HG2 LYS 9 14.178 -15.279 7.842 67 HG3 LYS 9 HG3 LYS 9 14.062 -13.687 8.596 68 HD2 LYS 9 HD2 LYS 9 11.555 -14.081 8.698 69 HD3 LYS 9 HD3 LYS 9 11.903 -15.759 8.276 70 HE2 LYS 9 HE2 LYS 9 11.739 -15.658 10.644 71 HE3 LYS 9 HE3 LYS 9 13.450 -15.829 10.254 72 HZ1 LYS 9 HZ1 LYS 9 12.753 -13.094 10.377 73 HZ2 LYS 9 HZ2 LYS 9 13.882 -13.945 11.306 74 HZ3 LYS 9 HZ3 LYS 9 12.267 -13.864 11.803 75 H THR 10 H THR 10 14.960 -11.665 5.574 76 HA THR 10 HA THR 10 16.649 -11.097 7.701 77 HB THR 10 HB THR 10 16.969 -9.434 5.260 78 HG1 THR 10 HG1 THR 10 17.158 -12.281 5.250 79 HG21 THR 10 HG21 THR 10 18.795 -11.268 6.818 80 HG22 THR 10 HG22 THR 10 18.725 -9.510 6.940 81 HG23 THR 10 HG23 THR 10 19.283 -10.269 5.450 82 H ILE 11 H ILE 11 14.390 -8.987 5.994 83 HA ILE 11 HA ILE 11 15.146 -6.534 7.061 84 HB ILE 11 HB ILE 11 12.331 -7.421 6.421 85 HG12 ILE 11 HG12 ILE 11 13.918 -7.769 4.551 86 HG13 ILE 11 HG13 ILE 11 12.726 -6.524 4.194 87 HG21 ILE 11 HG21 ILE 11 12.251 -4.866 5.845 88 HG22 ILE 11 HG22 ILE 11 12.021 -5.421 7.502 89 HG23 ILE 11 HG23 ILE 11 13.584 -4.780 6.997 90 HD11 ILE 11 HD11 ILE 11 14.327 -5.061 3.785 91 HD12 ILE 11 HD12 ILE 11 15.033 -5.327 5.380 92 HD13 ILE 11 HD13 ILE 11 15.514 -6.344 4.021 93 H ILE 12 H ILE 12 12.826 -8.907 8.330 94 HA ILE 12 HA ILE 12 12.006 -7.452 10.577 95 HB ILE 12 HB ILE 12 12.228 -10.456 10.376 96 HG12 ILE 12 HG12 ILE 12 9.968 -8.615 9.562 97 HG13 ILE 12 HG13 ILE 12 10.991 -9.539 8.468 98 HG21 ILE 12 HG21 ILE 12 10.356 -8.764 12.023 99 HG22 ILE 12 HG22 ILE 12 10.504 -10.521 12.046 100 HG23 ILE 12 HG23 ILE 12 11.827 -9.517 12.640 101 HD11 ILE 12 HD11 ILE 12 10.054 -11.513 10.044 102 HD12 ILE 12 HD12 ILE 12 8.696 -10.389 10.082 103 HD13 ILE 12 HD13 ILE 12 9.294 -10.997 8.539 104 H GLY 13 H GLY 13 14.617 -9.839 10.211 105 HA2 GLY 13 HA2 GLY 13 15.480 -10.011 12.827 106 HA3 GLY 13 HA3 GLY 13 16.538 -10.152 11.431 107 H VAL 14 H VAL 14 17.006 -7.892 10.397 108 HA VAL 14 HA VAL 14 18.624 -6.459 12.103 109 HB VAL 14 HB VAL 14 17.225 -5.347 9.667 110 HG11 VAL 14 HG11 VAL 14 19.281 -3.918 9.543 111 HG12 VAL 14 HG12 VAL 14 18.217 -3.569 10.907 112 HG13 VAL 14 HG13 VAL 14 19.699 -4.492 11.158 113 HG21 VAL 14 HG21 VAL 14 18.327 -7.347 9.009 114 HG22 VAL 14 HG22 VAL 14 19.363 -6.008 8.516 115 HG23 VAL 14 HG23 VAL 14 19.760 -6.946 9.955 116 H SER 15 H SER 15 15.256 -5.799 11.219 117 HA SER 15 HA SER 15 14.893 -3.346 12.419 118 HB2 SER 15 HB2 SER 15 13.243 -4.932 11.095 119 HB3 SER 15 HB3 SER 15 12.740 -5.399 12.719 120 HG SER 15 HG SER 15 11.607 -3.641 12.715 121 H VAL 16 H VAL 16 14.558 -6.554 13.913 122 HA VAL 16 HA VAL 16 13.857 -5.640 16.482 123 HB VAL 16 HB VAL 16 15.365 -8.187 15.910 124 HG11 VAL 16 HG11 VAL 16 15.078 -7.616 18.266 125 HG12 VAL 16 HG12 VAL 16 13.336 -7.466 18.023 126 HG13 VAL 16 HG13 VAL 16 14.123 -9.034 17.835 127 HG21 VAL 16 HG21 VAL 16 13.698 -8.688 14.498 128 HG22 VAL 16 HG22 VAL 16 12.727 -8.896 15.955 129 HG23 VAL 16 HG23 VAL 16 12.683 -7.367 15.076 130 H LEU 17 H LEU 17 16.995 -6.452 15.047 131 HA LEU 17 HA LEU 17 18.566 -6.156 17.340 132 HB2 LEU 17 HB2 LEU 17 19.253 -5.642 14.451 133 HB3 LEU 17 HB3 LEU 17 20.432 -5.735 15.758 134 HG LEU 17 HG LEU 17 18.643 -7.993 14.857 135 HD11 LEU 17 HD11 LEU 17 20.115 -8.100 13.170 136 HD12 LEU 17 HD12 LEU 17 21.199 -8.777 14.385 137 HD13 LEU 17 HD13 LEU 17 21.284 -7.061 13.987 138 HD21 LEU 17 HD21 LEU 17 20.695 -7.709 17.018 139 HD22 LEU 17 HD22 LEU 17 20.392 -9.274 16.264 140 HD23 LEU 17 HD23 LEU 17 19.086 -8.427 17.093 141 H SER 18 H SER 18 17.391 -3.782 15.021 142 HA SER 18 HA SER 18 18.928 -1.613 16.066 143 HB2 SER 18 HB2 SER 18 18.189 -1.452 13.793 144 HB3 SER 18 HB3 SER 18 16.508 -1.712 14.258 145 HG SER 18 HG SER 18 17.770 0.584 14.024 146 H VAL 19 H VAL 19 15.800 -2.996 16.754 147 HA VAL 19 HA VAL 19 14.725 -0.827 18.221 148 HB VAL 19 HB VAL 19 14.107 -3.778 18.417 149 HG11 VAL 19 HG11 VAL 19 12.701 -1.370 19.554 150 HG12 VAL 19 HG12 VAL 19 11.936 -2.951 19.384 151 HG13 VAL 19 HG13 VAL 19 13.348 -2.760 20.426 152 HG21 VAL 19 HG21 VAL 19 12.142 -2.020 17.180 153 HG22 VAL 19 HG22 VAL 19 13.676 -2.059 16.311 154 HG23 VAL 19 HG23 VAL 19 12.798 -3.558 16.618 155 H LEU 20 H LEU 20 16.262 -3.854 19.314 156 HA LEU 20 HA LEU 20 16.255 -3.222 22.051 157 HB2 LEU 20 HB2 LEU 20 18.093 -4.940 22.181 158 HB3 LEU 20 HB3 LEU 20 16.577 -5.474 21.459 159 HG LEU 20 HG LEU 20 18.008 -4.706 19.261 160 HD11 LEU 20 HD11 LEU 20 20.009 -6.283 20.788 161 HD12 LEU 20 HD12 LEU 20 19.943 -4.540 21.048 162 HD13 LEU 20 HD13 LEU 20 20.232 -5.179 19.430 163 HD21 LEU 20 HD21 LEU 20 16.780 -6.704 19.252 164 HD22 LEU 20 HD22 LEU 20 17.670 -7.360 20.626 165 HD23 LEU 20 HD23 LEU 20 18.460 -7.207 19.056 166 H VAL 21 H VAL 21 18.826 -2.893 19.613 167 HA VAL 21 HA VAL 21 20.862 -1.906 21.171 168 HB VAL 21 HB VAL 21 20.092 -1.243 18.338 169 HG11 VAL 21 HG11 VAL 21 22.515 -0.359 18.241 170 HG12 VAL 21 HG12 VAL 21 21.257 0.691 18.896 171 HG13 VAL 21 HG13 VAL 21 22.349 -0.164 19.985 172 HG21 VAL 21 HG21 VAL 21 21.258 -3.465 19.469 173 HG22 VAL 21 HG22 VAL 21 21.337 -3.009 17.767 174 HG23 VAL 21 HG23 VAL 21 22.639 -2.551 18.864 175 H VAL 22 H VAL 22 18.576 0.135 19.338 176 HA VAL 22 HA VAL 22 19.314 2.588 20.355 177 HB VAL 22 HB VAL 22 16.533 1.688 19.593 178 HG11 VAL 22 HG11 VAL 22 16.433 4.260 19.058 179 HG12 VAL 22 HG12 VAL 22 16.084 3.657 20.679 180 HG13 VAL 22 HG13 VAL 22 17.667 4.346 20.314 181 HG21 VAL 22 HG21 VAL 22 17.118 1.907 17.448 182 HG22 VAL 22 HG22 VAL 22 17.988 3.410 17.750 183 HG23 VAL 22 HG23 VAL 22 18.786 1.860 18.018 184 H SER 23 H SER 23 16.750 0.448 21.599 185 HA SER 23 HA SER 23 15.917 1.984 23.741 186 HB2 SER 23 HB2 SER 23 14.884 -0.172 22.923 187 HB3 SER 23 HB3 SER 23 16.150 -1.031 23.801 188 HG SER 23 HG SER 23 14.830 -0.866 25.425 189 H VAL 24 H VAL 24 18.457 -0.510 23.715 190 HA VAL 24 HA VAL 24 19.226 -0.404 26.364 191 HB VAL 24 HB VAL 24 21.015 -0.792 23.960 192 HG11 VAL 24 HG11 VAL 24 21.532 -0.826 26.845 193 HG12 VAL 24 HG12 VAL 24 22.111 -2.251 25.979 194 HG13 VAL 24 HG13 VAL 24 22.648 -0.642 25.492 195 HG21 VAL 24 HG21 VAL 24 18.907 -2.363 24.937 196 HG22 VAL 24 HG22 VAL 24 20.117 -2.813 23.734 197 HG23 VAL 24 HG23 VAL 24 20.391 -3.172 25.439 198 H VAL 25 H VAL 25 20.584 1.494 23.668 199 HA VAL 25 HA VAL 25 22.430 2.994 25.060 200 HB VAL 25 HB VAL 25 20.706 3.904 22.752 201 HG11 VAL 25 HG11 VAL 25 23.255 5.049 23.881 202 HG12 VAL 25 HG12 VAL 25 22.559 5.505 22.325 203 HG13 VAL 25 HG13 VAL 25 21.674 5.827 23.816 204 HG21 VAL 25 HG21 VAL 25 22.117 2.852 21.338 205 HG22 VAL 25 HG22 VAL 25 23.529 3.149 22.353 206 HG23 VAL 25 HG23 VAL 25 22.425 1.828 22.740 207 H ALA 26 H ALA 26 19.048 3.899 24.382 208 HA ALA 26 HA ALA 26 18.958 6.310 25.715 209 HB1 ALA 26 HB1 ALA 26 16.656 6.180 25.595 210 HB2 ALA 26 HB2 ALA 26 17.152 5.061 24.325 211 HB3 ALA 26 HB3 ALA 26 16.633 4.441 25.892 212 H VAL 27 H VAL 27 18.661 3.051 27.036 213 HA VAL 27 HA VAL 27 17.987 3.898 29.678 214 HB VAL 27 HB VAL 27 19.117 1.259 28.733 215 HG11 VAL 27 HG11 VAL 27 17.607 0.835 31.015 216 HG12 VAL 27 HG12 VAL 27 19.369 0.820 30.904 217 HG13 VAL 27 HG13 VAL 27 18.526 2.297 31.375 218 HG21 VAL 27 HG21 VAL 27 16.875 2.073 27.803 219 HG22 VAL 27 HG22 VAL 27 16.920 0.471 28.538 220 HG23 VAL 27 HG23 VAL 27 16.256 1.835 29.437 221 H LEU 28 H LEU 28 20.989 2.772 28.143 222 HA LEU 28 HA LEU 28 22.679 2.744 30.309 223 HB2 LEU 28 HB2 LEU 28 23.068 3.361 27.419 224 HB3 LEU 28 HB3 LEU 28 24.410 3.611 28.534 225 HG LEU 28 HG LEU 28 23.010 0.969 28.463 226 HD11 LEU 28 HD11 LEU 28 24.770 0.273 26.791 227 HD12 LEU 28 HD12 LEU 28 25.023 1.990 26.477 228 HD13 LEU 28 HD13 LEU 28 23.449 1.259 26.162 229 HD21 LEU 28 HD21 LEU 28 25.928 1.206 28.715 230 HD22 LEU 28 HD22 LEU 28 24.780 0.243 29.644 231 HD23 LEU 28 HD23 LEU 28 24.999 1.953 30.015 232 H VAL 29 H VAL 29 21.937 5.531 28.222 233 HA VAL 29 HA VAL 29 23.516 7.378 29.676 234 HB VAL 29 HB VAL 29 21.104 8.031 27.983 235 HG11 VAL 29 HG11 VAL 29 23.591 9.643 28.536 236 HG12 VAL 29 HG12 VAL 29 22.154 10.165 27.655 237 HG13 VAL 29 HG13 VAL 29 22.061 9.848 29.388 238 HG21 VAL 29 HG21 VAL 29 22.572 6.583 26.712 239 HG22 VAL 29 HG22 VAL 29 22.691 8.235 26.105 240 HG23 VAL 29 HG23 VAL 29 23.964 7.580 27.134 241 H TYR 30 H TYR 30 20.068 6.565 29.772 242 HA TYR 30 HA TYR 30 19.114 8.493 31.474 243 HB2 TYR 30 HB2 TYR 30 18.158 6.092 30.445 244 HB3 TYR 30 HB3 TYR 30 18.066 5.874 32.189 245 HD1 TYR 30 HD1 TYR 30 17.066 8.180 29.448 246 HD2 TYR 30 HD2 TYR 30 16.312 6.828 33.411 247 HE1 TYR 30 HE1 TYR 30 14.987 9.494 29.494 248 HE2 TYR 30 HE2 TYR 30 14.231 8.138 33.468 249 HH TYR 30 HH TYR 30 13.198 10.069 30.669 250 H LYS 31 H LYS 31 20.852 5.533 32.310 251 HA LYS 31 HA LYS 31 20.716 6.129 35.147 252 HB2 LYS 31 HB2 LYS 31 22.350 3.951 33.858 253 HB3 LYS 31 HB3 LYS 31 21.726 4.015 35.502 254 HG2 LYS 31 HG2 LYS 31 19.501 3.634 34.759 255 HG3 LYS 31 HG3 LYS 31 19.965 3.850 33.070 256 HD2 LYS 31 HD2 LYS 31 20.550 1.708 32.886 257 HD3 LYS 31 HD3 LYS 31 21.562 1.801 34.329 258 HE2 LYS 31 HE2 LYS 31 19.763 0.125 34.529 259 HE3 LYS 31 HE3 LYS 31 19.648 1.397 35.745 260 HZ1 LYS 31 HZ1 LYS 31 17.616 1.861 35.043 261 HZ2 LYS 31 HZ2 LYS 31 17.701 0.593 33.927 262 HZ3 LYS 31 HZ3 LYS 31 18.173 2.152 33.472 263 H PHE 32 H PHE 32 23.279 5.737 32.702 264 HA PHE 32 HA PHE 32 25.473 6.382 34.230 265 HB2 PHE 32 HB2 PHE 32 24.818 6.715 31.334 266 HB3 PHE 32 HB3 PHE 32 26.291 7.452 31.955 267 HD1 PHE 32 HD1 PHE 32 24.629 4.209 32.728 268 HD2 PHE 32 HD2 PHE 32 28.077 6.200 31.226 269 HE1 PHE 32 HE1 PHE 32 25.787 2.047 32.532 270 HE2 PHE 32 HE2 PHE 32 29.241 4.041 31.026 271 HZ PHE 32 HZ PHE 32 28.095 1.961 31.678 272 H TYR 33 H TYR 33 22.936 8.450 33.130 273 HA TYR 33 HA TYR 33 24.429 10.815 34.047 274 HB2 TYR 33 HB2 TYR 33 22.170 10.503 32.079 275 HB3 TYR 33 HB3 TYR 33 22.570 12.064 32.787 276 HD1 TYR 33 HD1 TYR 33 23.873 13.429 31.475 277 HD2 TYR 33 HD2 TYR 33 24.417 9.218 31.204 278 HE1 TYR 33 HE1 TYR 33 25.602 13.768 29.759 279 HE2 TYR 33 HE2 TYR 33 26.148 9.546 29.488 280 HH TYR 33 HH TYR 33 26.536 12.159 27.744 281 H PHE 34 H PHE 34 21.123 9.480 34.004 282 HA PHE 34 HA PHE 34 20.599 10.909 36.522 283 HB2 PHE 34 HB2 PHE 34 18.526 9.695 34.696 284 HB3 PHE 34 HB3 PHE 34 18.277 10.867 35.986 285 HD1 PHE 34 HD1 PHE 34 18.548 13.190 35.610 286 HD2 PHE 34 HD2 PHE 34 19.624 10.389 32.592 287 HE1 PHE 34 HE1 PHE 34 18.746 15.025 33.983 288 HE2 PHE 34 HE2 PHE 34 19.825 12.219 30.960 289 HZ PHE 34 HZ PHE 34 19.387 14.541 31.655 290 H HIS 35 H HIS 35 22.102 8.675 36.817 291 HA HIS 35 HA HIS 35 20.922 6.212 37.080 292 HB2 HIS 35 HB2 HIS 35 23.352 7.226 37.726 293 HB3 HIS 35 HB3 HIS 35 22.675 6.978 39.333 294 HD1 HIS 35 HD1 HIS 35 25.066 5.332 38.014 295 HD2 HIS 35 HD2 HIS 35 21.116 4.096 38.377 296 HE1 HIS 35 HE1 HIS 35 25.138 2.820 37.937 Start of MODEL 9 1 H1 MET 1 H MET 1 9.818 1.732 2.066 2 HA MET 1 HA MET 1 8.111 0.701 4.232 3 HB2 MET 1 HB2 MET 1 6.258 2.077 3.327 4 HB3 MET 1 HB3 MET 1 7.586 3.044 3.954 5 HG2 MET 1 HG2 MET 1 7.332 4.164 2.031 6 HG3 MET 1 HG3 MET 1 8.322 2.861 1.378 7 HE1 MET 1 HE1 MET 1 5.369 4.614 -0.466 8 HE2 MET 1 HE2 MET 1 7.125 4.496 -0.351 9 HE3 MET 1 HE3 MET 1 6.247 3.495 -1.509 10 H ASN 2 H ASN 2 6.672 -0.881 3.693 11 HA ASN 2 HA ASN 2 6.529 -1.670 0.862 12 HB2 ASN 2 HB2 ASN 2 6.573 -3.727 3.051 13 HB3 ASN 2 HB3 ASN 2 6.931 -3.925 1.338 14 HD21 ASN 2 HD21 ASN 2 8.935 -3.211 0.539 15 HD22 ASN 2 HD22 ASN 2 10.290 -2.990 1.588 16 H ILE 3 H ILE 3 4.549 -0.192 1.519 17 HA ILE 3 HA ILE 3 2.434 -1.077 3.040 18 HB ILE 3 HB ILE 3 2.230 0.330 0.375 19 HG12 ILE 3 HG12 ILE 3 2.443 1.444 3.181 20 HG13 ILE 3 HG13 ILE 3 3.700 1.508 1.951 21 HG21 ILE 3 HG21 ILE 3 0.100 -0.590 1.092 22 HG22 ILE 3 HG22 ILE 3 0.286 0.165 2.673 23 HG23 ILE 3 HG23 ILE 3 0.089 1.167 1.235 24 HD11 ILE 3 HD11 ILE 3 2.873 3.540 1.542 25 HD12 ILE 3 HD12 ILE 3 1.624 2.671 0.650 26 HD13 ILE 3 HD13 ILE 3 1.329 3.178 2.313 27 H THR 4 H THR 4 2.853 -1.653 -0.457 28 HA THR 4 HA THR 4 1.133 -4.031 -0.169 29 HB THR 4 HB THR 4 1.029 -3.563 -2.828 30 HG1 THR 4 HG1 THR 4 1.800 -1.610 -3.145 31 HG21 THR 4 HG21 THR 4 -0.728 -2.349 -0.693 32 HG22 THR 4 HG22 THR 4 -0.910 -3.937 -1.439 33 HG23 THR 4 HG23 THR 4 -1.165 -2.479 -2.396 34 H SER 5 H SER 5 4.170 -2.779 -1.219 35 HA SER 5 HA SER 5 4.896 -4.986 -2.890 36 HB2 SER 5 HB2 SER 5 5.933 -2.781 -3.180 37 HB3 SER 5 HB3 SER 5 6.630 -2.887 -1.563 38 HG SER 5 HG SER 5 8.146 -4.145 -2.307 39 H GLN 6 H GLN 6 6.904 -6.291 -2.377 40 HA GLN 6 HA GLN 6 6.809 -7.174 0.433 41 HB2 GLN 6 HB2 GLN 6 7.271 -8.811 -2.065 42 HB3 GLN 6 HB3 GLN 6 7.437 -9.429 -0.427 43 HG2 GLN 6 HG2 GLN 6 4.878 -8.168 -1.309 44 HG3 GLN 6 HG3 GLN 6 5.246 -9.839 -1.734 45 HE21 GLN 6 HE21 GLN 6 3.067 -9.333 -0.230 46 HE22 GLN 6 HE22 GLN 6 3.315 -9.860 1.396 47 H MET 7 H MET 7 8.772 -7.971 1.355 48 HA MET 7 HA MET 7 11.249 -7.519 -0.084 49 HB2 MET 7 HB2 MET 7 10.289 -5.389 1.274 50 HB3 MET 7 HB3 MET 7 11.192 -6.184 2.556 51 HG2 MET 7 HG2 MET 7 12.627 -4.595 1.540 52 HG3 MET 7 HG3 MET 7 13.177 -6.197 1.057 53 HE1 MET 7 HE1 MET 7 13.731 -3.127 -0.553 54 HE2 MET 7 HE2 MET 7 12.349 -2.748 -1.580 55 HE3 MET 7 HE3 MET 7 12.155 -2.808 0.173 56 H ASN 8 H ASN 8 13.158 -8.182 1.234 57 HA ASN 8 HA ASN 8 12.771 -10.731 2.330 58 HB2 ASN 8 HB2 ASN 8 15.073 -8.817 2.240 59 HB3 ASN 8 HB3 ASN 8 15.191 -10.258 3.246 60 HD21 ASN 8 HD21 ASN 8 15.545 -8.990 0.161 61 HD22 ASN 8 HD22 ASN 8 15.746 -10.472 -0.703 62 H LYS 9 H LYS 9 11.636 -11.082 4.129 63 HA LYS 9 HA LYS 9 11.249 -9.273 6.225 64 HB2 LYS 9 HB2 LYS 9 10.041 -11.532 5.583 65 HB3 LYS 9 HB3 LYS 9 11.166 -12.214 6.750 66 HG2 LYS 9 HG2 LYS 9 9.228 -11.771 7.973 67 HG3 LYS 9 HG3 LYS 9 10.317 -10.437 8.364 68 HD2 LYS 9 HD2 LYS 9 9.164 -9.112 6.561 69 HD3 LYS 9 HD3 LYS 9 7.976 -10.413 6.467 70 HE2 LYS 9 HE2 LYS 9 7.208 -8.579 7.899 71 HE3 LYS 9 HE3 LYS 9 7.396 -10.080 8.803 72 HZ1 LYS 9 HZ1 LYS 9 9.076 -9.241 10.020 73 HZ2 LYS 9 HZ2 LYS 9 8.374 -7.756 9.620 74 HZ3 LYS 9 HZ3 LYS 9 9.709 -8.321 8.750 75 H THR 10 H THR 10 13.839 -11.477 5.572 76 HA THR 10 HA THR 10 14.916 -11.848 8.111 77 HB THR 10 HB THR 10 16.839 -11.414 5.891 78 HG1 THR 10 HG1 THR 10 14.894 -13.501 5.881 79 HG21 THR 10 HG21 THR 10 17.575 -12.367 8.006 80 HG22 THR 10 HG22 THR 10 17.708 -13.568 6.721 81 HG23 THR 10 HG23 THR 10 16.372 -13.648 7.869 82 H ILE 11 H ILE 11 15.823 -9.368 5.709 83 HA ILE 11 HA ILE 11 17.631 -7.961 7.271 84 HB ILE 11 HB ILE 11 15.751 -6.789 5.218 85 HG12 ILE 11 HG12 ILE 11 18.575 -7.778 4.805 86 HG13 ILE 11 HG13 ILE 11 17.155 -8.765 4.478 87 HG21 ILE 11 HG21 ILE 11 17.866 -5.661 6.847 88 HG22 ILE 11 HG22 ILE 11 18.169 -5.448 5.123 89 HG23 ILE 11 HG23 ILE 11 16.668 -4.855 5.834 90 HD11 ILE 11 HD11 ILE 11 16.533 -7.498 2.661 91 HD12 ILE 11 HD12 ILE 11 17.418 -6.077 3.216 92 HD13 ILE 11 HD13 ILE 11 18.292 -7.459 2.556 93 H ILE 12 H ILE 12 14.116 -7.625 7.059 94 HA ILE 12 HA ILE 12 13.819 -5.325 8.615 95 HB ILE 12 HB ILE 12 11.929 -7.674 8.422 96 HG12 ILE 12 HG12 ILE 12 12.449 -6.764 6.224 97 HG13 ILE 12 HG13 ILE 12 10.810 -6.312 6.681 98 HG21 ILE 12 HG21 ILE 12 11.427 -6.222 10.317 99 HG22 ILE 12 HG22 ILE 12 11.420 -4.819 9.249 100 HG23 ILE 12 HG23 ILE 12 10.196 -6.075 9.063 101 HD11 ILE 12 HD11 ILE 12 11.678 -4.096 7.372 102 HD12 ILE 12 HD12 ILE 12 13.256 -4.567 6.739 103 HD13 ILE 12 HD13 ILE 12 11.873 -4.439 5.653 104 H GLY 13 H GLY 13 13.775 -8.748 9.599 105 HA2 GLY 13 HA2 GLY 13 13.245 -8.453 12.293 106 HA3 GLY 13 HA3 GLY 13 14.251 -9.728 11.622 107 H VAL 14 H VAL 14 16.536 -8.856 10.975 108 HA VAL 14 HA VAL 14 17.940 -8.275 13.271 109 HB VAL 14 HB VAL 14 18.790 -7.496 10.479 110 HG11 VAL 14 HG11 VAL 14 20.129 -6.581 12.383 111 HG12 VAL 14 HG12 VAL 14 20.492 -8.244 12.850 112 HG13 VAL 14 HG13 VAL 14 21.033 -7.627 11.288 113 HG21 VAL 14 HG21 VAL 14 18.264 -10.073 11.610 114 HG22 VAL 14 HG22 VAL 14 18.805 -9.662 9.983 115 HG23 VAL 14 HG23 VAL 14 19.987 -9.917 11.267 116 H SER 15 H SER 15 16.768 -6.015 10.802 117 HA SER 15 HA SER 15 17.921 -3.673 11.676 118 HB2 SER 15 HB2 SER 15 16.299 -4.165 9.672 119 HB3 SER 15 HB3 SER 15 15.050 -3.652 10.807 120 HG SER 15 HG SER 15 15.926 -1.932 9.509 121 H VAL 16 H VAL 16 14.866 -5.118 12.777 122 HA VAL 16 HA VAL 16 14.211 -3.110 14.638 123 HB VAL 16 HB VAL 16 13.455 -6.017 14.896 124 HG11 VAL 16 HG11 VAL 16 11.315 -4.886 15.743 125 HG12 VAL 16 HG12 VAL 16 12.730 -4.867 16.797 126 HG13 VAL 16 HG13 VAL 16 12.298 -3.428 15.873 127 HG21 VAL 16 HG21 VAL 16 11.367 -4.804 13.600 128 HG22 VAL 16 HG22 VAL 16 12.773 -4.084 12.816 129 HG23 VAL 16 HG23 VAL 16 12.579 -5.837 12.843 130 H LEU 17 H LEU 17 15.931 -6.193 15.019 131 HA LEU 17 HA LEU 17 16.269 -6.226 17.754 132 HB2 LEU 17 HB2 LEU 17 17.969 -7.193 15.489 133 HB3 LEU 17 HB3 LEU 17 18.530 -7.350 17.153 134 HG LEU 17 HG LEU 17 15.974 -8.538 16.076 135 HD11 LEU 17 HD11 LEU 17 17.042 -10.529 15.739 136 HD12 LEU 17 HD12 LEU 17 18.326 -10.166 16.892 137 HD13 LEU 17 HD13 LEU 17 18.332 -9.409 15.299 138 HD21 LEU 17 HD21 LEU 17 17.105 -9.664 18.497 139 HD22 LEU 17 HD22 LEU 17 15.462 -9.113 18.166 140 HD23 LEU 17 HD23 LEU 17 16.692 -7.960 18.684 141 H SER 18 H SER 18 18.438 -4.745 15.347 142 HA SER 18 HA SER 18 20.290 -3.693 17.162 143 HB2 SER 18 HB2 SER 18 19.914 -3.653 14.377 144 HB3 SER 18 HB3 SER 18 19.970 -1.961 14.870 145 HG SER 18 HG SER 18 21.900 -3.963 15.441 146 H VAL 19 H VAL 19 17.329 -2.302 15.812 147 HA VAL 19 HA VAL 19 17.528 0.288 16.765 148 HB VAL 19 HB VAL 19 15.036 -1.404 16.527 149 HG11 VAL 19 HG11 VAL 19 14.448 0.425 17.889 150 HG12 VAL 19 HG12 VAL 19 15.422 1.549 16.939 151 HG13 VAL 19 HG13 VAL 19 13.940 0.873 16.260 152 HG21 VAL 19 HG21 VAL 19 15.138 -1.099 14.325 153 HG22 VAL 19 HG22 VAL 19 15.433 0.630 14.513 154 HG23 VAL 19 HG23 VAL 19 16.783 -0.504 14.556 155 H LEU 20 H LEU 20 15.728 -2.357 18.352 156 HA LEU 20 HA LEU 20 15.145 -1.074 20.722 157 HB2 LEU 20 HB2 LEU 20 15.626 -3.949 20.042 158 HB3 LEU 20 HB3 LEU 20 15.294 -3.468 21.704 159 HG LEU 20 HG LEU 20 13.351 -4.314 20.239 160 HD11 LEU 20 HD11 LEU 20 13.023 -3.353 22.429 161 HD12 LEU 20 HD12 LEU 20 11.796 -2.739 21.322 162 HD13 LEU 20 HD13 LEU 20 13.166 -1.723 21.769 163 HD21 LEU 20 HD21 LEU 20 13.541 -1.473 19.244 164 HD22 LEU 20 HD22 LEU 20 12.246 -2.619 18.899 165 HD23 LEU 20 HD23 LEU 20 13.873 -2.916 18.287 166 H VAL 21 H VAL 21 18.060 -2.901 19.874 167 HA VAL 21 HA VAL 21 19.351 -2.919 22.319 168 HB VAL 21 HB VAL 21 20.580 -2.603 19.578 169 HG11 VAL 21 HG11 VAL 21 22.338 -2.021 20.941 170 HG12 VAL 21 HG12 VAL 21 21.776 -3.026 22.278 171 HG13 VAL 21 HG13 VAL 21 22.531 -3.772 20.869 172 HG21 VAL 21 HG21 VAL 21 19.110 -4.688 20.503 173 HG22 VAL 21 HG22 VAL 21 20.391 -4.827 19.299 174 HG23 VAL 21 HG23 VAL 21 20.734 -5.171 20.994 175 H VAL 22 H VAL 22 20.026 -0.569 19.718 176 HA VAL 22 HA VAL 22 21.566 1.190 21.186 177 HB VAL 22 HB VAL 22 19.659 1.870 18.943 178 HG11 VAL 22 HG11 VAL 22 21.896 3.421 20.221 179 HG12 VAL 22 HG12 VAL 22 21.293 3.779 18.602 180 HG13 VAL 22 HG13 VAL 22 20.217 3.908 19.993 181 HG21 VAL 22 HG21 VAL 22 21.059 0.510 17.820 182 HG22 VAL 22 HG22 VAL 22 22.139 1.905 17.861 183 HG23 VAL 22 HG23 VAL 22 22.318 0.616 19.051 184 H SER 23 H SER 23 18.055 1.382 20.607 185 HA SER 23 HA SER 23 17.494 3.671 22.037 186 HB2 SER 23 HB2 SER 23 15.842 2.447 20.658 187 HB3 SER 23 HB3 SER 23 15.770 1.185 21.888 188 HG SER 23 HG SER 23 14.943 3.883 22.093 189 H VAL 24 H VAL 24 17.171 0.347 23.299 190 HA VAL 24 HA VAL 24 16.672 0.972 25.942 191 HB VAL 24 HB VAL 24 18.234 -1.388 24.883 192 HG11 VAL 24 HG11 VAL 24 16.877 -2.136 27.189 193 HG12 VAL 24 HG12 VAL 24 18.615 -1.879 27.021 194 HG13 VAL 24 HG13 VAL 24 17.578 -0.565 27.577 195 HG21 VAL 24 HG21 VAL 24 16.243 -2.502 24.580 196 HG22 VAL 24 HG22 VAL 24 15.372 -1.482 25.724 197 HG23 VAL 24 HG23 VAL 24 15.785 -0.860 24.127 198 H VAL 25 H VAL 25 19.846 0.237 24.491 199 HA VAL 25 HA VAL 25 21.445 0.601 26.704 200 HB VAL 25 HB VAL 25 22.078 1.342 23.845 201 HG11 VAL 25 HG11 VAL 25 23.655 2.436 25.278 202 HG12 VAL 25 HG12 VAL 25 23.883 0.968 26.230 203 HG13 VAL 25 HG13 VAL 25 24.446 1.034 24.559 204 HG21 VAL 25 HG21 VAL 25 22.524 -0.823 23.438 205 HG22 VAL 25 HG22 VAL 25 23.213 -1.089 25.039 206 HG23 VAL 25 HG23 VAL 25 21.464 -1.118 24.816 207 H ALA 26 H ALA 26 20.565 3.078 24.296 208 HA ALA 26 HA ALA 26 21.858 5.250 25.397 209 HB1 ALA 26 HB1 ALA 26 20.970 5.944 23.460 210 HB2 ALA 26 HB2 ALA 26 19.585 4.859 23.591 211 HB3 ALA 26 HB3 ALA 26 19.582 6.401 24.447 212 H VAL 27 H VAL 27 18.741 3.855 26.288 213 HA VAL 27 HA VAL 27 18.050 5.915 28.139 214 HB VAL 27 HB VAL 27 17.003 3.085 27.979 215 HG11 VAL 27 HG11 VAL 27 14.975 4.234 29.048 216 HG12 VAL 27 HG12 VAL 27 16.369 3.897 30.077 217 HG13 VAL 27 HG13 VAL 27 16.097 5.529 29.464 218 HG21 VAL 27 HG21 VAL 27 15.131 4.941 26.993 219 HG22 VAL 27 HG22 VAL 27 16.671 5.322 26.222 220 HG23 VAL 27 HG23 VAL 27 15.998 3.697 26.094 221 H LEU 28 H LEU 28 19.375 2.636 28.487 222 HA LEU 28 HA LEU 28 19.468 2.421 31.224 223 HB2 LEU 28 HB2 LEU 28 21.303 1.431 29.073 224 HB3 LEU 28 HB3 LEU 28 21.640 1.097 30.771 225 HG LEU 28 HG LEU 28 18.985 0.365 29.600 226 HD11 LEU 28 HD11 LEU 28 20.179 -1.955 29.338 227 HD12 LEU 28 HD12 LEU 28 21.610 -0.951 29.101 228 HD13 LEU 28 HD13 LEU 28 20.217 -0.766 28.035 229 HD21 LEU 28 HD21 LEU 28 19.004 0.067 31.904 230 HD22 LEU 28 HD22 LEU 28 20.680 -0.483 31.921 231 HD23 LEU 28 HD23 LEU 28 19.411 -1.536 31.292 232 H VAL 29 H VAL 29 21.951 3.856 29.115 233 HA VAL 29 HA VAL 29 23.669 4.643 31.223 234 HB VAL 29 HB VAL 29 23.485 5.919 28.495 235 HG11 VAL 29 HG11 VAL 29 25.814 6.469 28.832 236 HG12 VAL 29 HG12 VAL 29 24.860 7.092 30.180 237 HG13 VAL 29 HG13 VAL 29 25.820 5.625 30.381 238 HG21 VAL 29 HG21 VAL 29 25.179 4.275 27.795 239 HG22 VAL 29 HG22 VAL 29 25.007 3.457 29.348 240 HG23 VAL 29 HG23 VAL 29 23.648 3.513 28.226 241 H TYR 30 H TYR 30 21.159 6.359 29.402 242 HA TYR 30 HA TYR 30 21.484 8.919 30.332 243 HB2 TYR 30 HB2 TYR 30 19.528 7.550 28.908 244 HB3 TYR 30 HB3 TYR 30 18.671 8.171 30.315 245 HD1 TYR 30 HD1 TYR 30 20.860 9.200 27.494 246 HD2 TYR 30 HD2 TYR 30 18.022 10.423 30.419 247 HE1 TYR 30 HE1 TYR 30 20.716 11.409 26.422 248 HE2 TYR 30 HE2 TYR 30 17.870 12.635 29.354 249 HH TYR 30 HH TYR 30 19.948 13.930 27.501 250 H LYS 31 H LYS 31 19.865 6.220 31.938 251 HA LYS 31 HA LYS 31 19.205 7.851 34.245 252 HB2 LYS 31 HB2 LYS 31 18.903 4.862 34.031 253 HB3 LYS 31 HB3 LYS 31 18.012 5.974 35.062 254 HG2 LYS 31 HG2 LYS 31 16.799 6.845 33.215 255 HG3 LYS 31 HG3 LYS 31 17.834 6.002 32.060 256 HD2 LYS 31 HD2 LYS 31 16.057 4.568 32.089 257 HD3 LYS 31 HD3 LYS 31 17.001 3.885 33.415 258 HE2 LYS 31 HE2 LYS 31 15.615 5.598 34.849 259 HE3 LYS 31 HE3 LYS 31 14.493 5.495 33.493 260 HZ1 LYS 31 HZ1 LYS 31 13.765 3.840 34.905 261 HZ2 LYS 31 HZ2 LYS 31 15.325 3.381 35.369 262 HZ3 LYS 31 HZ3 LYS 31 14.745 2.972 33.834 263 H PHE 32 H PHE 32 21.183 4.959 33.597 264 HA PHE 32 HA PHE 32 22.292 4.594 36.088 265 HB2 PHE 32 HB2 PHE 32 23.255 4.053 33.312 266 HB3 PHE 32 HB3 PHE 32 24.380 3.842 34.649 267 HD1 PHE 32 HD1 PHE 32 20.741 3.108 34.333 268 HD2 PHE 32 HD2 PHE 32 24.659 1.587 35.000 269 HE1 PHE 32 HE1 PHE 32 19.797 0.878 34.769 270 HE2 PHE 32 HE2 PHE 32 23.722 -0.646 35.435 271 HZ PHE 32 HZ PHE 32 21.288 -1.003 35.320 272 H TYR 33 H TYR 33 22.899 7.119 33.812 273 HA TYR 33 HA TYR 33 25.161 8.076 35.437 274 HB2 TYR 33 HB2 TYR 33 24.434 8.515 32.547 275 HB3 TYR 33 HB3 TYR 33 25.570 9.568 33.383 276 HD1 TYR 33 HD1 TYR 33 27.790 9.092 33.021 277 HD2 TYR 33 HD2 TYR 33 24.995 5.884 33.035 278 HE1 TYR 33 HE1 TYR 33 29.612 7.511 32.544 279 HE2 TYR 33 HE2 TYR 33 26.809 4.293 32.560 280 HH TYR 33 HH TYR 33 29.699 4.588 33.082 281 H PHE 34 H PHE 34 22.386 9.306 33.565 282 HA PHE 34 HA PHE 34 22.264 11.599 35.403 283 HB2 PHE 34 HB2 PHE 34 20.885 11.395 32.728 284 HB3 PHE 34 HB3 PHE 34 21.189 12.843 33.682 285 HD1 PHE 34 HD1 PHE 34 22.747 10.269 31.560 286 HD2 PHE 34 HD2 PHE 34 23.254 14.001 33.543 287 HE1 PHE 34 HE1 PHE 34 24.837 10.642 30.317 288 HE2 PHE 34 HE2 PHE 34 25.344 14.380 32.303 289 HZ PHE 34 HZ PHE 34 26.138 12.700 30.686 290 H HIS 35 H HIS 35 21.271 9.301 36.440 291 HA HIS 35 HA HIS 35 18.670 8.560 35.978 292 HB2 HIS 35 HB2 HIS 35 20.511 7.927 37.864 293 HB3 HIS 35 HB3 HIS 35 19.372 8.856 38.834 294 HD1 HIS 35 HD1 HIS 35 19.712 5.881 39.384 295 HD2 HIS 35 HD2 HIS 35 16.873 7.423 36.771 296 HE1 HIS 35 HE1 HIS 35 17.916 4.127 39.231 Start of MODEL 10 1 H1 MET 1 H MET 1 4.069 3.695 -1.654 2 HA MET 1 HA MET 1 5.861 1.951 -3.079 3 HB2 MET 1 HB2 MET 1 6.165 4.523 -1.568 4 HB3 MET 1 HB3 MET 1 7.588 3.594 -2.018 5 HG2 MET 1 HG2 MET 1 7.423 5.020 -3.791 6 HG3 MET 1 HG3 MET 1 6.511 3.637 -4.392 7 HE1 MET 1 HE1 MET 1 5.233 4.228 -5.925 8 HE2 MET 1 HE2 MET 1 3.580 4.303 -5.314 9 HE3 MET 1 HE3 MET 1 4.281 5.697 -6.138 10 H ASN 2 H ASN 2 6.933 0.275 -2.269 11 HA ASN 2 HA ASN 2 6.693 -0.393 0.517 12 HB2 ASN 2 HB2 ASN 2 7.911 -1.732 -1.880 13 HB3 ASN 2 HB3 ASN 2 8.232 -2.344 -0.260 14 HD21 ASN 2 HD21 ASN 2 7.117 -4.151 -1.630 15 HD22 ASN 2 HD22 ASN 2 5.415 -4.295 -1.369 16 H ILE 3 H ILE 3 7.912 1.835 0.816 17 HA ILE 3 HA ILE 3 10.622 2.142 0.448 18 HB ILE 3 HB ILE 3 9.059 3.001 2.886 19 HG12 ILE 3 HG12 ILE 3 9.587 4.439 0.275 20 HG13 ILE 3 HG13 ILE 3 8.039 3.779 0.791 21 HG21 ILE 3 HG21 ILE 3 10.764 4.730 3.120 22 HG22 ILE 3 HG22 ILE 3 11.475 3.120 3.211 23 HG23 ILE 3 HG23 ILE 3 11.632 4.071 1.734 24 HD11 ILE 3 HD11 ILE 3 8.381 5.351 2.841 25 HD12 ILE 3 HD12 ILE 3 9.486 6.193 1.753 26 HD13 ILE 3 HD13 ILE 3 7.791 5.993 1.309 27 H THR 4 H THR 4 9.065 0.814 3.372 28 HA THR 4 HA THR 4 11.585 -0.606 3.945 29 HB THR 4 HB THR 4 10.351 -0.630 6.349 30 HG1 THR 4 HG1 THR 4 9.528 1.544 6.633 31 HG21 THR 4 HG21 THR 4 11.818 1.286 6.949 32 HG22 THR 4 HG22 THR 4 12.130 1.538 5.231 33 HG23 THR 4 HG23 THR 4 12.644 0.043 6.011 34 H SER 5 H SER 5 8.181 -0.854 3.464 35 HA SER 5 HA SER 5 7.585 -3.255 4.737 36 HB2 SER 5 HB2 SER 5 6.452 -1.756 2.431 37 HB3 SER 5 HB3 SER 5 5.971 -3.444 2.606 38 HG SER 5 HG SER 5 4.704 -1.712 3.743 39 H GLN 6 H GLN 6 8.534 -5.162 4.532 40 HA GLN 6 HA GLN 6 9.227 -6.119 1.848 41 HB2 GLN 6 HB2 GLN 6 11.034 -5.967 4.240 42 HB3 GLN 6 HB3 GLN 6 11.279 -7.204 3.015 43 HG2 GLN 6 HG2 GLN 6 11.093 -4.307 2.286 44 HG3 GLN 6 HG3 GLN 6 12.608 -5.028 2.829 45 HE21 GLN 6 HE21 GLN 6 13.881 -5.635 1.247 46 HE22 GLN 6 HE22 GLN 6 13.386 -6.196 -0.310 47 H MET 7 H MET 7 9.392 -8.444 1.682 48 HA MET 7 HA MET 7 7.874 -9.832 3.793 49 HB2 MET 7 HB2 MET 7 6.635 -9.556 1.655 50 HB3 MET 7 HB3 MET 7 7.900 -10.463 0.836 51 HG2 MET 7 HG2 MET 7 7.382 -12.435 2.103 52 HG3 MET 7 HG3 MET 7 6.222 -11.543 3.086 53 HE1 MET 7 HE1 MET 7 3.700 -12.624 2.521 54 HE2 MET 7 HE2 MET 7 4.061 -10.898 2.568 55 HE3 MET 7 HE3 MET 7 3.052 -11.554 1.277 56 H ASN 8 H ASN 8 10.789 -9.662 2.088 57 HA ASN 8 HA ASN 8 11.523 -12.418 2.172 58 HB2 ASN 8 HB2 ASN 8 13.041 -9.857 1.733 59 HB3 ASN 8 HB3 ASN 8 13.882 -11.398 1.874 60 HD21 ASN 8 HD21 ASN 8 13.377 -13.059 0.342 61 HD22 ASN 8 HD22 ASN 8 12.818 -12.635 -1.237 62 H LYS 9 H LYS 9 13.885 -12.718 3.307 63 HA LYS 9 HA LYS 9 13.340 -12.989 6.042 64 HB2 LYS 9 HB2 LYS 9 15.057 -14.239 4.596 65 HB3 LYS 9 HB3 LYS 9 16.123 -12.873 4.897 66 HG2 LYS 9 HG2 LYS 9 16.699 -14.495 6.491 67 HG3 LYS 9 HG3 LYS 9 15.745 -13.293 7.363 68 HD2 LYS 9 HD2 LYS 9 14.883 -15.333 8.102 69 HD3 LYS 9 HD3 LYS 9 13.739 -14.822 6.858 70 HE2 LYS 9 HE2 LYS 9 14.083 -17.028 6.291 71 HE3 LYS 9 HE3 LYS 9 15.273 -16.215 5.275 72 HZ1 LYS 9 HZ1 LYS 9 15.814 -18.265 6.926 73 HZ2 LYS 9 HZ2 LYS 9 16.242 -16.945 7.893 74 HZ3 LYS 9 HZ3 LYS 9 16.962 -17.150 6.377 75 H THR 10 H THR 10 14.453 -10.304 4.241 76 HA THR 10 HA THR 10 16.047 -8.894 5.983 77 HB THR 10 HB THR 10 13.918 -7.349 4.587 78 HG1 THR 10 HG1 THR 10 15.847 -8.998 3.303 79 HG21 THR 10 HG21 THR 10 16.927 -7.130 4.753 80 HG22 THR 10 HG22 THR 10 15.753 -6.175 5.659 81 HG23 THR 10 HG23 THR 10 15.873 -5.997 3.909 82 H ILE 11 H ILE 11 12.604 -9.452 6.151 83 HA ILE 11 HA ILE 11 11.759 -7.468 7.865 84 HB ILE 11 HB ILE 11 10.906 -10.365 7.941 85 HG12 ILE 11 HG12 ILE 11 9.599 -8.081 6.461 86 HG13 ILE 11 HG13 ILE 11 10.768 -9.160 5.707 87 HG21 ILE 11 HG21 ILE 11 9.616 -7.856 8.992 88 HG22 ILE 11 HG22 ILE 11 8.766 -9.388 8.802 89 HG23 ILE 11 HG23 ILE 11 10.133 -9.270 9.910 90 HD11 ILE 11 HD11 ILE 11 8.614 -10.568 7.066 91 HD12 ILE 11 HD12 ILE 11 8.062 -9.519 5.759 92 HD13 ILE 11 HD13 ILE 11 9.260 -10.773 5.438 93 H ILE 12 H ILE 12 12.991 -10.679 8.814 94 HA ILE 12 HA ILE 12 12.944 -10.347 11.557 95 HB ILE 12 HB ILE 12 15.034 -11.849 9.976 96 HG12 ILE 12 HG12 ILE 12 12.785 -12.570 9.375 97 HG13 ILE 12 HG13 ILE 12 13.570 -13.809 10.349 98 HG21 ILE 12 HG21 ILE 12 14.170 -12.044 12.856 99 HG22 ILE 12 HG22 ILE 12 15.189 -13.230 12.043 100 HG23 ILE 12 HG23 ILE 12 15.755 -11.573 12.244 101 HD11 ILE 12 HD11 ILE 12 11.678 -13.811 11.520 102 HD12 ILE 12 HD12 ILE 12 12.278 -12.314 12.235 103 HD13 ILE 12 HD13 ILE 12 11.165 -12.254 10.870 104 H GLY 13 H GLY 13 15.535 -9.494 9.281 105 HA2 GLY 13 HA2 GLY 13 17.494 -8.684 11.048 106 HA3 GLY 13 HA3 GLY 13 17.242 -7.966 9.464 107 H VAL 14 H VAL 14 15.237 -6.424 9.460 108 HA VAL 14 HA VAL 14 15.850 -4.178 10.930 109 HB VAL 14 HB VAL 14 13.130 -4.949 9.864 110 HG11 VAL 14 HG11 VAL 14 12.852 -3.158 11.411 111 HG12 VAL 14 HG12 VAL 14 14.249 -2.299 10.759 112 HG13 VAL 14 HG13 VAL 14 12.785 -2.468 9.790 113 HG21 VAL 14 HG21 VAL 14 15.109 -3.127 8.538 114 HG22 VAL 14 HG22 VAL 14 15.157 -4.872 8.284 115 HG23 VAL 14 HG23 VAL 14 13.719 -3.955 7.835 116 H SER 15 H SER 15 13.502 -6.717 11.696 117 HA SER 15 HA SER 15 12.270 -5.618 13.901 118 HB2 SER 15 HB2 SER 15 11.960 -7.940 12.704 119 HB3 SER 15 HB3 SER 15 13.048 -8.511 13.969 120 HG SER 15 HG SER 15 11.583 -7.781 15.509 121 H VAL 16 H VAL 16 15.235 -7.591 13.868 122 HA VAL 16 HA VAL 16 15.753 -7.456 16.622 123 HB VAL 16 HB VAL 16 17.872 -7.646 14.486 124 HG11 VAL 16 HG11 VAL 16 18.645 -9.333 16.405 125 HG12 VAL 16 HG12 VAL 16 19.068 -7.620 16.415 126 HG13 VAL 16 HG13 VAL 16 17.717 -8.202 17.389 127 HG21 VAL 16 HG21 VAL 16 16.678 -9.392 13.719 128 HG22 VAL 16 HG22 VAL 16 17.333 -10.222 15.130 129 HG23 VAL 16 HG23 VAL 16 15.718 -9.517 15.193 130 H LEU 17 H LEU 17 16.763 -5.366 13.952 131 HA LEU 17 HA LEU 17 18.567 -3.744 15.312 132 HB2 LEU 17 HB2 LEU 17 16.835 -3.425 12.924 133 HB3 LEU 17 HB3 LEU 17 17.547 -1.968 13.614 134 HG LEU 17 HG LEU 17 19.215 -4.346 12.839 135 HD11 LEU 17 HD11 LEU 17 18.976 -3.905 10.682 136 HD12 LEU 17 HD12 LEU 17 19.410 -2.217 10.950 137 HD13 LEU 17 HD13 LEU 17 17.726 -2.725 11.076 138 HD21 LEU 17 HD21 LEU 17 19.692 -1.545 13.698 139 HD22 LEU 17 HD22 LEU 17 20.790 -2.239 12.504 140 HD23 LEU 17 HD23 LEU 17 20.589 -3.017 14.075 141 H SER 18 H SER 18 15.134 -3.015 14.659 142 HA SER 18 HA SER 18 14.912 -0.723 16.174 143 HB2 SER 18 HB2 SER 18 13.138 -1.569 14.677 144 HB3 SER 18 HB3 SER 18 12.795 -2.861 15.827 145 HG SER 18 HG SER 18 12.601 -0.082 16.377 146 H VAL 19 H VAL 19 14.590 -4.087 17.221 147 HA VAL 19 HA VAL 19 13.712 -3.704 19.819 148 HB VAL 19 HB VAL 19 15.618 -5.801 18.775 149 HG11 VAL 19 HG11 VAL 19 14.860 -7.112 20.765 150 HG12 VAL 19 HG12 VAL 19 15.875 -5.720 21.149 151 HG13 VAL 19 HG13 VAL 19 14.130 -5.633 21.389 152 HG21 VAL 19 HG21 VAL 19 13.842 -6.886 17.971 153 HG22 VAL 19 HG22 VAL 19 12.906 -6.608 19.439 154 HG23 VAL 19 HG23 VAL 19 12.957 -5.375 18.178 155 H LEU 20 H LEU 20 17.101 -4.069 18.759 156 HA LEU 20 HA LEU 20 18.230 -3.457 21.266 157 HB2 LEU 20 HB2 LEU 20 19.402 -3.186 18.502 158 HB3 LEU 20 HB3 LEU 20 20.321 -3.103 20.003 159 HG LEU 20 HG LEU 20 18.984 -5.491 18.760 160 HD11 LEU 20 HD11 LEU 20 21.131 -5.323 17.922 161 HD12 LEU 20 HD12 LEU 20 21.353 -6.379 19.317 162 HD13 LEU 20 HD13 LEU 20 21.781 -4.671 19.426 163 HD21 LEU 20 HD21 LEU 20 20.023 -5.192 21.574 164 HD22 LEU 20 HD22 LEU 20 19.654 -6.732 20.799 165 HD23 LEU 20 HD23 LEU 20 18.369 -5.558 21.084 166 H VAL 21 H VAL 21 17.364 -1.453 18.501 167 HA VAL 21 HA VAL 21 18.617 0.919 19.113 168 HB VAL 21 HB VAL 21 15.856 0.504 17.965 169 HG11 VAL 21 HG11 VAL 21 16.498 2.881 16.997 170 HG12 VAL 21 HG12 VAL 21 15.673 2.704 18.547 171 HG13 VAL 21 HG13 VAL 21 17.415 2.976 18.500 172 HG21 VAL 21 HG21 VAL 21 16.836 0.181 15.979 173 HG22 VAL 21 HG22 VAL 21 18.005 1.475 16.242 174 HG23 VAL 21 HG23 VAL 21 18.303 -0.130 16.907 175 H VAL 22 H VAL 22 15.378 -0.097 20.207 176 HA VAL 22 HA VAL 22 15.005 2.140 21.915 177 HB VAL 22 HB VAL 22 13.634 -0.552 21.987 178 HG11 VAL 22 HG11 VAL 22 11.795 0.860 23.056 179 HG12 VAL 22 HG12 VAL 22 13.195 0.464 24.055 180 HG13 VAL 22 HG13 VAL 22 13.049 2.068 23.334 181 HG21 VAL 22 HG21 VAL 22 11.812 0.755 20.801 182 HG22 VAL 22 HG22 VAL 22 13.030 1.996 20.506 183 HG23 VAL 22 HG23 VAL 22 13.247 0.373 19.850 184 H SER 23 H SER 23 15.667 -1.287 22.658 185 HA SER 23 HA SER 23 15.956 -1.071 25.394 186 HB2 SER 23 HB2 SER 23 15.921 -3.225 24.226 187 HB3 SER 23 HB3 SER 23 17.498 -2.879 23.516 188 HG SER 23 HG SER 23 16.861 -3.778 26.026 189 H VAL 24 H VAL 24 18.664 -1.128 23.068 190 HA VAL 24 HA VAL 24 20.712 -0.486 24.782 191 HB VAL 24 HB VAL 24 20.385 0.385 21.908 192 HG11 VAL 24 HG11 VAL 24 22.220 1.607 22.212 193 HG12 VAL 24 HG12 VAL 24 22.434 0.993 23.853 194 HG13 VAL 24 HG13 VAL 24 23.093 0.099 22.482 195 HG21 VAL 24 HG21 VAL 24 21.186 -1.631 21.267 196 HG22 VAL 24 HG22 VAL 24 22.220 -1.796 22.686 197 HG23 VAL 24 HG23 VAL 24 20.495 -2.142 22.807 198 H VAL 25 H VAL 25 19.045 1.889 22.700 199 HA VAL 25 HA VAL 25 20.132 4.194 23.716 200 HB VAL 25 HB VAL 25 17.370 3.672 22.640 201 HG11 VAL 25 HG11 VAL 25 18.566 6.263 23.586 202 HG12 VAL 25 HG12 VAL 25 17.249 6.196 22.414 203 HG13 VAL 25 HG13 VAL 25 17.022 5.541 24.036 204 HG21 VAL 25 HG21 VAL 25 19.561 3.592 21.253 205 HG22 VAL 25 HG22 VAL 25 18.172 4.474 20.619 206 HG23 VAL 25 HG23 VAL 25 19.501 5.350 21.378 207 H ALA 26 H ALA 26 17.317 2.420 24.941 208 HA ALA 26 HA ALA 26 16.480 4.171 26.915 209 HB1 ALA 26 HB1 ALA 26 15.291 2.111 26.227 210 HB2 ALA 26 HB2 ALA 26 16.481 1.164 27.120 211 HB3 ALA 26 HB3 ALA 26 15.426 2.287 27.977 212 H VAL 27 H VAL 27 18.972 1.651 27.096 213 HA VAL 27 HA VAL 27 19.576 2.077 29.841 214 HB VAL 27 HB VAL 27 21.341 0.855 27.715 215 HG11 VAL 27 HG11 VAL 27 21.372 0.536 30.715 216 HG12 VAL 27 HG12 VAL 27 22.448 -0.264 29.568 217 HG13 VAL 27 HG13 VAL 27 22.521 1.487 29.773 218 HG21 VAL 27 HG21 VAL 27 20.377 -1.259 29.031 219 HG22 VAL 27 HG22 VAL 27 19.000 -0.171 29.212 220 HG23 VAL 27 HG23 VAL 27 19.590 -0.587 27.603 221 H LEU 28 H LEU 28 21.006 3.239 26.817 222 HA LEU 28 HA LEU 28 23.262 4.500 27.770 223 HB2 LEU 28 HB2 LEU 28 21.408 5.057 25.500 224 HB3 LEU 28 HB3 LEU 28 22.689 6.209 25.869 225 HG LEU 28 HG LEU 28 23.349 3.320 25.451 226 HD11 LEU 28 HD11 LEU 28 23.814 4.060 23.034 227 HD12 LEU 28 HD12 LEU 28 22.655 5.348 23.358 228 HD13 LEU 28 HD13 LEU 28 22.156 3.661 23.484 229 HD21 LEU 28 HD21 LEU 28 25.331 4.748 24.351 230 HD22 LEU 28 HD22 LEU 28 25.285 4.316 26.061 231 HD23 LEU 28 HD23 LEU 28 24.755 5.917 25.540 232 H VAL 29 H VAL 29 20.050 5.991 27.334 233 HA VAL 29 HA VAL 29 20.727 8.443 28.554 234 HB VAL 29 HB VAL 29 17.961 7.245 28.431 235 HG11 VAL 29 HG11 VAL 29 17.261 9.600 28.302 236 HG12 VAL 29 HG12 VAL 29 18.135 9.246 29.794 237 HG13 VAL 29 HG13 VAL 29 18.944 10.097 28.477 238 HG21 VAL 29 HG21 VAL 29 19.514 8.711 26.305 239 HG22 VAL 29 HG22 VAL 29 18.876 7.069 26.224 240 HG23 VAL 29 HG23 VAL 29 17.772 8.443 26.250 241 H TYR 30 H TYR 30 19.361 5.448 29.819 242 HA TYR 30 HA TYR 30 18.537 6.254 32.323 243 HB2 TYR 30 HB2 TYR 30 18.885 3.824 31.027 244 HB3 TYR 30 HB3 TYR 30 19.951 3.706 32.423 245 HD1 TYR 30 HD1 TYR 30 19.065 2.942 34.416 246 HD2 TYR 30 HD2 TYR 30 16.461 4.734 31.568 247 HE1 TYR 30 HE1 TYR 30 17.139 2.400 35.846 248 HE2 TYR 30 HE2 TYR 30 14.527 4.198 32.991 249 HH TYR 30 HH TYR 30 14.789 2.125 35.743 250 H LYS 31 H LYS 31 21.798 5.355 31.271 251 HA LYS 31 HA LYS 31 22.900 5.927 33.894 252 HB2 LYS 31 HB2 LYS 31 24.480 5.333 31.401 253 HB3 LYS 31 HB3 LYS 31 24.947 5.071 33.076 254 HG2 LYS 31 HG2 LYS 31 23.438 3.242 33.292 255 HG3 LYS 31 HG3 LYS 31 22.702 3.592 31.726 256 HD2 LYS 31 HD2 LYS 31 24.113 1.896 31.124 257 HD3 LYS 31 HD3 LYS 31 25.186 3.276 30.882 258 HE2 LYS 31 HE2 LYS 31 26.023 2.914 33.217 259 HE3 LYS 31 HE3 LYS 31 25.085 1.422 33.256 260 HZ1 LYS 31 HZ1 LYS 31 26.938 1.833 31.026 261 HZ2 LYS 31 HZ2 LYS 31 26.474 0.398 31.793 262 HZ3 LYS 31 HZ3 LYS 31 27.588 1.432 32.536 263 H PHE 32 H PHE 32 23.356 7.156 30.578 264 HA PHE 32 HA PHE 32 25.072 9.243 31.110 265 HB2 PHE 32 HB2 PHE 32 22.950 8.819 29.039 266 HB3 PHE 32 HB3 PHE 32 23.768 10.375 29.129 267 HD1 PHE 32 HD1 PHE 32 25.376 10.599 27.520 268 HD2 PHE 32 HD2 PHE 32 24.862 6.814 29.398 269 HE1 PHE 32 HE1 PHE 32 27.244 9.694 26.199 270 HE2 PHE 32 HE2 PHE 32 26.730 5.903 28.082 271 HZ PHE 32 HZ PHE 32 27.924 7.344 26.481 272 H TYR 33 H TYR 33 21.738 8.940 31.927 273 HA TYR 33 HA TYR 33 21.632 11.775 32.710 274 HB2 TYR 33 HB2 TYR 33 19.872 10.742 31.121 275 HB3 TYR 33 HB3 TYR 33 19.239 9.959 32.564 276 HD1 TYR 33 HD1 TYR 33 18.823 12.690 30.496 277 HD2 TYR 33 HD2 TYR 33 19.014 11.714 34.632 278 HE1 TYR 33 HE1 TYR 33 17.545 14.723 31.028 279 HE2 TYR 33 HE2 TYR 33 17.736 13.743 35.176 280 HH TYR 33 HH TYR 33 15.944 15.391 33.131 281 H PHE 34 H PHE 34 20.634 8.539 33.811 282 HA PHE 34 HA PHE 34 20.841 9.518 36.582 283 HB2 PHE 34 HB2 PHE 34 19.205 7.171 35.605 284 HB3 PHE 34 HB3 PHE 34 19.197 7.867 37.222 285 HD1 PHE 34 HD1 PHE 34 18.206 8.400 33.720 286 HD2 PHE 34 HD2 PHE 34 17.915 9.803 37.728 287 HE1 PHE 34 HE1 PHE 34 16.370 9.898 33.059 288 HE2 PHE 34 HE2 PHE 34 16.078 11.302 37.073 289 HZ PHE 34 HZ PHE 34 15.302 11.351 34.736 290 H HIS 35 H HIS 35 23.190 8.850 35.525 291 HA HIS 35 HA HIS 35 24.045 6.243 35.441 292 HB2 HIS 35 HB2 HIS 35 25.577 7.971 34.856 293 HB3 HIS 35 HB3 HIS 35 25.451 8.716 36.447 294 HD1 HIS 35 HD1 HIS 35 27.039 5.822 34.663 295 HD2 HIS 35 HD2 HIS 35 27.098 7.628 38.405 296 HE1 HIS 35 HE1 HIS 35 28.980 4.784 35.880
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